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 2r02_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATFISVQLKK TSEVDLAKPL VKFIQQTYPS GGEEQAQYCR AAEELSKLRR DATA SEQUENCE AAVGRPLDKH EGALETLLRY YDQICSIEPK FPFSENQICL TFTWKDAFDK DATA SEQUENCE GSLFGGSVKL ALASLGYEKS CVLFNCAALA SQIAAEQNLD NDEGLKIAAK DATA SEQUENCE HYQFASGAFL HIKETVLSAL SREPTVDISP DTVGTLSLIM LAQAQEVFFL DATA SEQUENCE KATRDKMKDA IIAKLANQAA DYFGDAFKQC QYKDTLPKEV FPVLAAKHCI DATA SEQUENCE MQANAEYHQS ILAKQQYYFG EEIARLQHAA ELIKTVASRY DEYVNVKDFS DATA SEQUENCE DKINRALAAA KKDNDFIYHD RVPDLKDLDP IGKATLVKST PVNVPISQKF DATA SEQUENCE TDLFEKMVPV SVQQSLAAYN QRKADLVNRS IAQMREATTL ANGVLASLNL DATA SEQUENCE PAAIEDVSGD TVPQSILTKS RSVIEQGGIQ TVDQLIKELP ELLQRNREIL DATA SEQUENCE DESLRLLDEE EATDNDLRAK FKERWQRTPS NELYKPLRAE GTNFRTVLDK DATA SEQUENCE AVQADGQVKE CYQSHRDTIV LLCKPEPELN AAIPSANPAK TMQGSEVVNV DATA SEQUENCE LKSLLSNLDE VKKEREGLEN DLKSVNFDMT SKFLTALAQD GVINEEALSV DATA SEQUENCE TELDRVYGGL TTKVQESLKK QEGLLKNIQV SHQEFSKMKQ SNNEANLREE DATA SEQUENCE VLKNLATAYD NFVELVANLK EGTKFYNELT EILVRFQNKC SDIVFAR 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.655 177.584 0.118 0.000 1.274 2 A CA 0.000 52.081 52.037 0.074 0.000 0.836 2 A CB 0.000 19.072 19.000 0.121 0.000 0.831 3 T N 2.384 116.944 114.554 0.010 0.000 2.965 3 T HA 0.666 5.017 4.350 0.001 0.000 0.306 3 T C -1.391 173.260 174.700 -0.081 0.000 0.991 3 T CA -0.157 61.978 62.100 0.057 0.000 1.001 3 T CB -0.286 68.612 68.868 0.051 0.000 0.984 3 T HN 0.514 nan 8.240 nan 0.000 0.446 4 F N 3.919 123.926 119.950 0.095 0.000 2.425 4 F HA 0.613 5.140 4.527 0.000 0.000 0.331 4 F C 0.812 176.681 175.800 0.116 0.000 1.085 4 F CA -1.285 56.782 58.000 0.112 0.000 1.028 4 F CB 1.075 40.196 39.000 0.202 0.000 1.177 4 F HN 0.428 nan 8.300 nan 0.000 0.487 5 I N 2.112 122.840 120.570 0.263 0.000 2.588 5 I HA 0.230 4.400 4.170 0.001 0.000 0.283 5 I C 0.128 176.403 176.117 0.263 0.000 1.119 5 I CA 0.239 61.658 61.300 0.199 0.000 1.419 5 I CB 0.533 38.612 38.000 0.132 0.000 1.394 5 I HN 0.651 nan 8.210 nan 0.000 0.562 6 S N 4.634 120.466 115.700 0.221 0.000 2.661 6 S HA 0.754 5.225 4.470 0.001 0.000 0.285 6 S C -0.816 173.906 174.600 0.204 0.000 1.138 6 S CA -0.924 57.410 58.200 0.224 0.000 0.855 6 S CB 1.933 65.251 63.200 0.196 0.000 1.136 6 S HN 0.252 nan 8.310 nan 0.000 0.484 7 V N 1.812 121.857 119.914 0.218 0.000 2.483 7 V HA 0.471 4.592 4.120 0.001 0.000 0.295 7 V C -0.235 176.006 176.094 0.244 0.000 1.035 7 V CA -0.754 61.708 62.300 0.270 0.000 0.896 7 V CB 1.646 33.633 31.823 0.274 0.000 0.986 7 V HN 0.821 nan 8.190 nan 0.000 0.447 8 Q N 2.716 122.690 119.800 0.289 0.000 2.340 8 Q HA 0.463 4.804 4.340 0.001 0.000 0.249 8 Q C -0.347 175.810 176.000 0.262 0.000 0.957 8 Q CA -0.203 55.738 55.803 0.230 0.000 0.882 8 Q CB 1.460 30.324 28.738 0.210 0.000 1.235 8 Q HN 0.587 nan 8.270 nan 0.000 0.439 9 L N 0.828 122.177 121.223 0.209 0.000 2.476 9 L HA 0.288 4.629 4.340 0.001 0.000 0.255 9 L C 0.583 177.576 176.870 0.205 0.000 1.218 9 L CA -0.329 54.660 54.840 0.248 0.000 0.819 9 L CB -0.033 42.142 42.059 0.194 0.000 1.119 9 L HN 0.261 nan 8.230 nan 0.000 0.485 10 K N 0.665 121.194 120.400 0.216 0.000 2.144 10 K HA 0.356 4.677 4.320 0.001 0.000 0.270 10 K C -0.791 175.967 176.600 0.264 0.000 1.005 10 K CA -0.622 55.765 56.287 0.167 0.000 0.932 10 K CB 1.037 33.600 32.500 0.104 0.000 1.021 10 K HN 0.386 nan 8.250 nan 0.000 0.462 11 K N 1.397 121.888 120.400 0.152 0.000 2.156 11 K HA 0.259 4.580 4.320 0.001 0.000 0.271 11 K C -0.604 175.930 176.600 -0.110 0.000 0.995 11 K CA -0.475 55.828 56.287 0.028 0.000 0.890 11 K CB 1.532 34.035 32.500 0.005 0.000 1.073 11 K HN 0.530 nan 8.250 nan 0.000 0.454 12 T N -0.239 114.070 114.554 -0.407 0.000 2.912 12 T HA 0.323 4.674 4.350 0.001 0.000 0.288 12 T C -0.218 174.249 174.700 -0.387 0.000 1.030 12 T CA -1.147 60.516 62.100 -0.728 0.000 1.020 12 T CB 1.486 69.559 68.868 -1.324 0.000 1.056 12 T HN 0.558 nan 8.240 nan 0.000 0.480 13 S N 1.078 116.595 115.700 -0.304 0.000 2.586 13 S HA 0.365 4.836 4.470 0.001 0.000 0.274 13 S C -0.009 174.481 174.600 -0.183 0.000 1.281 13 S CA -1.194 56.896 58.200 -0.184 0.000 1.035 13 S CB 0.235 63.368 63.200 -0.112 0.000 0.962 13 S HN 0.820 nan 8.310 nan 0.000 0.512 14 E N 0.691 120.814 120.200 -0.128 0.000 2.360 14 E HA 0.454 4.804 4.350 0.001 0.000 0.269 14 E C -0.075 176.487 176.600 -0.064 0.000 1.022 14 E CA -1.067 55.276 56.400 -0.096 0.000 0.887 14 E CB 0.513 30.169 29.700 -0.074 0.000 0.990 14 E HN 0.538 nan 8.360 nan 0.000 0.426 15 V N -0.919 118.973 119.914 -0.036 0.000 3.001 15 V HA 0.385 4.506 4.120 0.001 0.000 0.314 15 V C -0.620 175.468 176.094 -0.010 0.000 1.099 15 V CA -1.315 60.965 62.300 -0.033 0.000 0.989 15 V CB 1.970 33.755 31.823 -0.062 0.000 1.040 15 V HN 0.674 nan 8.190 nan 0.000 0.434 16 D N 1.479 121.866 120.400 -0.023 0.000 2.393 16 D HA 0.351 4.992 4.640 0.001 0.000 0.232 16 D C 0.761 177.063 176.300 0.004 0.000 1.192 16 D CA 0.126 54.124 54.000 -0.003 0.000 0.882 16 D CB 0.839 41.633 40.800 -0.010 0.000 1.038 16 D HN 0.628 nan 8.370 nan 0.000 0.499 17 L N 3.086 124.338 121.223 0.048 0.000 2.068 17 L HA -0.042 4.299 4.340 0.001 0.000 0.204 17 L C 2.411 179.307 176.870 0.043 0.000 1.076 17 L CA 0.881 55.764 54.840 0.071 0.000 0.753 17 L CB -0.333 41.816 42.059 0.149 0.000 0.910 17 L HN 0.465 nan 8.230 nan 0.000 0.439 18 A N 0.564 123.420 122.820 0.061 0.000 1.903 18 A HA -0.296 4.025 4.320 0.001 0.000 0.219 18 A C 2.265 179.885 177.584 0.059 0.000 1.191 18 A CA 2.349 54.430 52.037 0.073 0.000 0.638 18 A CB -0.381 18.665 19.000 0.075 0.000 0.823 18 A HN 0.392 nan 8.150 nan 0.000 0.451 19 K N -1.365 119.060 120.400 0.041 0.000 2.242 19 K HA 0.040 4.360 4.320 0.001 0.000 0.200 19 K C -0.980 175.643 176.600 0.039 0.000 1.050 19 K CA 0.526 56.840 56.287 0.044 0.000 0.981 19 K CB -0.385 32.135 32.500 0.035 0.000 0.795 19 K HN 0.427 nan 8.250 nan 0.000 0.477 20 P HA -0.122 nan 4.420 nan 0.000 0.223 20 P C 1.201 178.513 177.300 0.021 0.000 1.151 20 P CA 1.074 64.184 63.100 0.016 0.000 0.787 20 P CB 0.139 31.831 31.700 -0.014 0.000 0.788 21 L N -0.886 120.326 121.223 -0.018 0.000 2.095 21 L HA -0.059 4.282 4.340 0.001 0.000 0.204 21 L C 2.659 179.612 176.870 0.138 0.000 1.080 21 L CA 0.948 55.742 54.840 -0.076 0.000 0.759 21 L CB -0.986 40.885 42.059 -0.312 0.000 0.914 21 L HN -0.171 nan 8.230 nan 0.000 0.439 22 V N 0.411 120.407 119.914 0.135 0.000 2.380 22 V HA -0.333 3.788 4.120 0.001 0.000 0.251 22 V C 2.538 178.738 176.094 0.177 0.000 1.063 22 V CA 1.758 64.167 62.300 0.180 0.000 1.055 22 V CB -0.472 31.433 31.823 0.137 0.000 0.657 22 V HN 0.426 nan 8.190 nan 0.000 0.455 23 K N -1.007 119.481 120.400 0.146 0.000 2.020 23 K HA -0.242 4.079 4.320 0.001 0.000 0.212 23 K C 2.071 178.771 176.600 0.166 0.000 1.050 23 K CA 2.240 58.606 56.287 0.131 0.000 0.929 23 K CB -0.401 32.163 32.500 0.106 0.000 0.714 23 K HN 0.481 nan 8.250 nan 0.000 0.443 24 F N 1.823 121.831 119.950 0.097 0.000 2.051 24 F HA -0.190 4.338 4.527 0.001 0.000 0.296 24 F C 1.989 177.893 175.800 0.173 0.000 1.122 24 F CA 1.276 59.345 58.000 0.115 0.000 1.201 24 F CB -0.364 38.718 39.000 0.137 0.000 0.978 24 F HN -0.091 nan 8.300 nan 0.000 0.472 25 I N 0.526 121.341 120.570 0.408 0.000 2.130 25 I HA -0.490 3.681 4.170 0.001 0.000 0.241 25 I C 2.496 178.745 176.117 0.220 0.000 1.023 25 I CA 2.226 63.770 61.300 0.407 0.000 1.293 25 I CB -0.774 37.522 38.000 0.493 0.000 1.001 25 I HN 0.373 nan 8.210 nan 0.000 0.407 26 Q N -0.221 119.663 119.800 0.140 0.000 2.049 26 Q HA -0.214 4.126 4.340 0.001 0.000 0.198 26 Q C 2.136 178.127 176.000 -0.014 0.000 0.971 26 Q CA 1.147 57.005 55.803 0.091 0.000 0.833 26 Q CB -0.137 28.652 28.738 0.085 0.000 0.896 26 Q HN 0.575 nan 8.270 nan 0.000 0.434 27 Q N -0.328 119.417 119.800 -0.091 0.000 2.561 27 Q HA -0.067 4.274 4.340 0.001 0.000 0.217 27 Q C 0.968 176.792 176.000 -0.293 0.000 0.980 27 Q CA 1.078 56.791 55.803 -0.149 0.000 0.927 27 Q CB 0.298 28.968 28.738 -0.114 0.000 0.980 27 Q HN 0.286 nan 8.270 nan 0.000 0.525 28 T N -1.707 112.594 114.554 -0.422 0.000 2.969 28 T HA 0.127 4.478 4.350 0.001 0.000 0.250 28 T C -0.279 174.061 174.700 -0.601 0.000 1.021 28 T CA 0.218 61.933 62.100 -0.642 0.000 1.003 28 T CB 0.297 68.519 68.868 -1.077 0.000 1.040 28 T HN 0.090 nan 8.240 nan 0.000 0.492 29 Y N 1.185 121.419 120.300 -0.109 0.000 2.630 29 Y HA 0.468 5.019 4.550 0.001 0.000 0.337 29 Y C -2.349 173.523 175.900 -0.046 0.000 1.051 29 Y CA -2.852 55.214 58.100 -0.057 0.000 1.121 29 Y CB 0.975 39.412 38.460 -0.038 0.000 1.299 29 Y HN -0.194 nan 8.280 nan 0.000 0.498 30 P HA 0.024 nan 4.420 nan 0.000 0.269 30 P C -0.663 176.667 177.300 0.050 0.000 1.263 30 P CA -0.151 62.990 63.100 0.069 0.000 0.813 30 P CB 0.242 31.974 31.700 0.054 0.000 0.868 31 S N 2.258 117.982 115.700 0.041 0.000 2.555 31 S HA 0.312 4.783 4.470 0.001 0.000 0.293 31 S C 1.360 175.973 174.600 0.021 0.000 1.248 31 S CA 0.320 58.541 58.200 0.035 0.000 1.096 31 S CB -0.560 62.660 63.200 0.033 0.000 0.881 31 S HN 0.888 nan 8.310 nan 0.000 0.498 32 G N 2.185 110.993 108.800 0.014 0.000 2.184 32 G HA2 -0.037 3.923 3.960 0.001 0.000 0.206 32 G HA3 -0.037 3.923 3.960 0.001 0.000 0.206 32 G C 0.387 175.279 174.900 -0.013 0.000 0.995 32 G CA -0.239 44.863 45.100 0.003 0.000 0.651 32 G HN 1.305 nan 8.290 nan 0.000 0.511 33 G N -0.797 107.989 108.800 -0.023 0.000 2.531 33 G HA2 0.573 4.534 3.960 0.001 0.000 0.313 33 G HA3 0.573 4.534 3.960 0.001 0.000 0.313 33 G C 0.569 175.414 174.900 -0.091 0.000 1.238 33 G CA 0.583 45.655 45.100 -0.047 0.000 0.994 33 G HN 0.202 nan 8.290 nan 0.000 0.493 34 E N -0.803 119.328 120.200 -0.115 0.000 2.158 34 E HA -0.090 4.261 4.350 0.001 0.000 0.191 34 E C 1.321 177.738 176.600 -0.305 0.000 0.982 34 E CA 0.383 56.687 56.400 -0.160 0.000 0.823 34 E CB 0.087 29.713 29.700 -0.123 0.000 0.766 34 E HN 0.598 nan 8.360 nan 0.000 0.468 35 E N 0.500 120.482 120.200 -0.364 0.000 2.651 35 E HA -0.101 4.250 4.350 0.001 0.000 0.236 35 E C 0.830 176.852 176.600 -0.964 0.000 1.422 35 E CA 0.131 56.110 56.400 -0.701 0.000 1.534 35 E CB 0.012 29.412 29.700 -0.500 0.000 1.381 35 E HN 0.227 nan 8.360 nan 0.000 0.435 36 Q N -1.735 117.645 119.800 -0.701 0.000 1.423 36 Q HA 0.004 4.345 4.340 0.001 0.000 0.149 36 Q C 1.229 177.144 176.000 -0.142 0.000 0.622 36 Q CA 0.642 56.252 55.803 -0.323 0.000 0.651 36 Q CB -0.716 27.957 28.738 -0.107 0.000 1.132 36 Q HN 0.264 nan 8.270 nan 0.000 0.346 37 A N 1.624 124.339 122.820 -0.174 0.000 1.851 37 A HA -0.174 4.146 4.320 0.001 0.000 0.216 37 A C 1.779 179.351 177.584 -0.020 0.000 1.195 37 A CA 1.760 53.752 52.037 -0.074 0.000 0.622 37 A CB -0.585 18.365 19.000 -0.083 0.000 0.831 37 A HN 0.489 nan 8.150 nan 0.000 0.444 38 Q N -1.793 117.979 119.800 -0.047 0.000 2.482 38 Q HA 0.000 4.341 4.340 0.001 0.000 0.209 38 Q C 1.024 177.203 176.000 0.299 0.000 0.961 38 Q CA 0.541 56.390 55.803 0.077 0.000 0.945 38 Q CB -0.071 28.705 28.738 0.063 0.000 1.012 38 Q HN 0.920 nan 8.270 nan 0.000 0.515 39 Y N -2.516 117.814 120.300 0.049 0.000 2.478 39 Y HA -0.027 4.523 4.550 0.001 0.000 0.261 39 Y C 1.989 178.056 175.900 0.278 0.000 1.127 39 Y CA -0.499 57.724 58.100 0.204 0.000 1.288 39 Y CB 0.656 39.235 38.460 0.197 0.000 1.084 39 Y HN 0.198 nan 8.280 nan 0.000 0.530 40 C N -0.767 118.721 119.300 0.314 0.000 2.609 40 C HA 0.062 4.522 4.460 0.001 0.000 0.305 40 C C 2.448 177.539 174.990 0.169 0.000 1.319 40 C CA 0.013 59.173 59.018 0.237 0.000 1.793 40 C CB -0.553 27.288 27.740 0.167 0.000 2.260 40 C HN 0.455 nan 8.230 nan 0.000 0.535 41 R N 1.737 122.309 120.500 0.119 0.000 2.096 41 R HA -0.079 4.262 4.340 0.001 0.000 0.235 41 R C 2.279 178.602 176.300 0.037 0.000 1.127 41 R CA 1.719 57.857 56.100 0.064 0.000 0.968 41 R CB -0.320 29.999 30.300 0.031 0.000 0.861 41 R HN 0.540 nan 8.270 nan 0.000 0.440 42 A N 0.840 123.658 122.820 -0.003 0.000 1.898 42 A HA 0.063 4.384 4.320 0.001 0.000 0.214 42 A C 2.296 179.929 177.584 0.082 0.000 1.183 42 A CA 1.156 53.074 52.037 -0.199 0.000 0.622 42 A CB -0.490 18.034 19.000 -0.793 0.000 0.824 42 A HN 0.348 nan 8.150 nan 0.000 0.444 43 A N -0.400 122.662 122.820 0.403 0.000 2.019 43 A HA -0.128 4.193 4.320 0.001 0.000 0.219 43 A C 1.902 179.647 177.584 0.268 0.000 1.164 43 A CA 2.023 54.366 52.037 0.510 0.000 0.644 43 A CB -0.350 18.887 19.000 0.395 0.000 0.805 43 A HN 0.535 nan 8.150 nan 0.000 0.449 44 E N -0.330 119.981 120.200 0.184 0.000 2.112 44 E HA -0.081 4.270 4.350 0.001 0.000 0.190 44 E C 1.929 178.594 176.600 0.110 0.000 0.979 44 E CA 1.007 57.481 56.400 0.123 0.000 0.814 44 E CB -0.118 29.636 29.700 0.091 0.000 0.762 44 E HN 0.668 nan 8.360 nan 0.000 0.460 45 E N -0.370 119.891 120.200 0.103 0.000 2.347 45 E HA -0.128 4.222 4.350 0.001 0.000 0.196 45 E C 1.735 178.415 176.600 0.132 0.000 1.008 45 E CA 0.315 56.764 56.400 0.082 0.000 0.852 45 E CB 0.118 29.838 29.700 0.034 0.000 0.783 45 E HN 0.219 nan 8.360 nan 0.000 0.505 46 L N 0.021 121.369 121.223 0.209 0.000 2.131 46 L HA -0.034 4.306 4.340 0.001 0.000 0.206 46 L C 2.293 179.302 176.870 0.232 0.000 1.087 46 L CA 1.595 56.609 54.840 0.291 0.000 0.767 46 L CB -0.502 41.815 42.059 0.429 0.000 0.917 46 L HN -0.060 nan 8.230 nan 0.000 0.441 47 S N -0.490 115.314 115.700 0.173 0.000 2.383 47 S HA -0.254 4.217 4.470 0.001 0.000 0.227 47 S C 2.177 176.816 174.600 0.065 0.000 1.026 47 S CA 1.618 59.888 58.200 0.117 0.000 0.981 47 S CB -0.325 62.930 63.200 0.093 0.000 0.818 47 S HN 0.568 nan 8.310 nan 0.000 0.472 48 K N 0.334 120.774 120.400 0.066 0.000 2.032 48 K HA -0.113 4.208 4.320 0.001 0.000 0.209 48 K C 2.161 178.771 176.600 0.017 0.000 1.048 48 K CA 1.719 58.028 56.287 0.036 0.000 0.927 48 K CB -0.509 32.016 32.500 0.041 0.000 0.712 48 K HN 0.382 nan 8.250 nan 0.000 0.441 49 L N 1.581 122.835 121.223 0.052 0.000 2.046 49 L HA -0.127 4.213 4.340 0.001 0.000 0.208 49 L C 2.610 179.399 176.870 -0.135 0.000 1.077 49 L CA 1.685 56.551 54.840 0.043 0.000 0.747 49 L CB -0.471 41.694 42.059 0.177 0.000 0.896 49 L HN 0.221 nan 8.230 nan 0.000 0.432 50 R N -0.772 119.581 120.500 -0.244 0.000 2.105 50 R HA -0.189 4.152 4.340 0.001 0.000 0.239 50 R C 2.460 178.556 176.300 -0.339 0.000 1.135 50 R CA 1.549 57.271 56.100 -0.630 0.000 0.967 50 R CB -0.174 29.942 30.300 -0.306 0.000 0.861 50 R HN 0.354 nan 8.270 nan 0.000 0.442 51 R N -0.381 120.022 120.500 -0.161 0.000 2.070 51 R HA -0.087 4.254 4.340 0.001 0.000 0.233 51 R C 2.236 178.477 176.300 -0.098 0.000 1.137 51 R CA 1.543 57.580 56.100 -0.106 0.000 0.945 51 R CB -0.317 29.951 30.300 -0.054 0.000 0.845 51 R HN 0.268 nan 8.270 nan 0.000 0.430 52 A N 0.426 123.198 122.820 -0.080 0.000 2.121 52 A HA -0.008 4.313 4.320 0.001 0.000 0.218 52 A C 2.085 179.633 177.584 -0.059 0.000 1.154 52 A CA 1.466 53.473 52.037 -0.050 0.000 0.679 52 A CB -0.232 18.756 19.000 -0.021 0.000 0.795 52 A HN 0.424 nan 8.150 nan 0.000 0.458 53 A N -1.679 121.068 122.820 -0.122 0.000 2.030 53 A HA 0.367 4.688 4.320 0.001 0.000 0.215 53 A C 1.665 179.219 177.584 -0.051 0.000 1.164 53 A CA 1.588 53.566 52.037 -0.098 0.000 0.697 53 A CB 0.120 18.981 19.000 -0.233 0.000 0.827 53 A HN 0.499 nan 8.150 nan 0.000 0.457 54 V N -2.503 117.356 119.914 -0.091 0.000 3.264 54 V HA 0.125 4.246 4.120 0.001 0.000 0.262 54 V C 2.172 178.212 176.094 -0.089 0.000 1.616 54 V CA 0.633 62.901 62.300 -0.054 0.000 1.033 54 V CB 0.205 31.970 31.823 -0.097 0.000 0.865 54 V HN 0.465 nan 8.190 nan 0.000 0.420 55 G N 1.982 110.724 108.800 -0.097 0.000 2.509 55 G HA2 -0.096 3.865 3.960 0.001 0.000 0.218 55 G HA3 -0.096 3.865 3.960 0.001 0.000 0.218 55 G C 0.605 175.469 174.900 -0.059 0.000 1.124 55 G CA 0.657 45.704 45.100 -0.089 0.000 0.776 55 G HN 0.592 nan 8.290 nan 0.000 0.547 56 R N -0.335 120.142 120.500 -0.037 0.000 2.510 56 R HA 0.458 4.798 4.340 0.001 0.000 0.287 56 R C -3.206 173.095 176.300 0.002 0.000 1.084 56 R CA -2.113 53.976 56.100 -0.018 0.000 0.934 56 R CB 0.717 31.009 30.300 -0.013 0.000 1.201 56 R HN -0.173 nan 8.270 nan 0.000 0.431 57 P HA 0.172 nan 4.420 nan 0.000 0.268 57 P C -0.661 176.655 177.300 0.027 0.000 1.541 57 P CA -0.099 63.021 63.100 0.033 0.000 1.093 57 P CB 0.632 32.359 31.700 0.045 0.000 1.551 58 L N 0.354 121.590 121.223 0.022 0.000 3.358 58 L HA 0.253 4.594 4.340 0.001 0.000 0.169 58 L C 1.015 177.897 176.870 0.019 0.000 1.158 58 L CA -0.296 54.555 54.840 0.018 0.000 0.861 58 L CB -0.380 41.686 42.059 0.011 0.000 1.597 58 L HN 0.204 nan 8.230 nan 0.000 0.580 59 D N 1.345 121.754 120.400 0.016 0.000 2.346 59 D HA -0.018 4.622 4.640 0.001 0.000 0.236 59 D C 0.004 176.314 176.300 0.016 0.000 1.259 59 D CA 0.812 54.823 54.000 0.018 0.000 0.898 59 D CB 0.916 41.727 40.800 0.017 0.000 1.178 59 D HN 0.070 nan 8.370 nan 0.000 0.457 60 K N 0.841 121.255 120.400 0.023 0.000 3.147 60 K HA 0.090 4.410 4.320 0.001 0.000 0.190 60 K C -1.051 175.551 176.600 0.004 0.000 1.094 60 K CA -0.356 55.930 56.287 -0.001 0.000 1.024 60 K CB 0.169 32.675 32.500 0.009 0.000 0.700 60 K HN 0.475 nan 8.250 nan 0.000 0.424 61 H N -1.296 117.733 119.070 -0.068 0.000 2.928 61 H HA 0.194 4.751 4.556 0.001 0.000 0.285 61 H C -0.165 175.106 175.328 -0.094 0.000 1.438 61 H CA -0.455 55.540 56.048 -0.087 0.000 1.176 61 H CB 1.602 31.328 29.762 -0.060 0.000 1.864 61 H HN 0.037 nan 8.280 nan 0.000 0.567 62 E N 0.061 120.360 120.200 0.165 0.000 2.515 62 E HA -0.024 4.327 4.350 0.001 0.000 0.201 62 E C 1.532 178.169 176.600 0.061 0.000 1.071 62 E CA 0.738 57.180 56.400 0.069 0.000 0.880 62 E CB 0.053 29.822 29.700 0.115 0.000 0.828 62 E HN 0.651 nan 8.360 nan 0.000 0.540 63 G N 1.263 110.109 108.800 0.076 0.000 2.464 63 G HA2 -0.262 3.699 3.960 0.001 0.000 0.214 63 G HA3 -0.262 3.699 3.960 0.001 0.000 0.214 63 G C 1.579 176.492 174.900 0.022 0.000 1.218 63 G CA 0.660 45.780 45.100 0.034 0.000 0.794 63 G HN 0.372 nan 8.290 nan 0.000 0.542 64 A N -0.264 122.568 122.820 0.020 0.000 2.066 64 A HA 0.255 4.575 4.320 0.001 0.000 0.218 64 A C 2.264 179.842 177.584 -0.010 0.000 1.157 64 A CA 1.357 53.398 52.037 0.007 0.000 0.670 64 A CB -0.243 18.761 19.000 0.007 0.000 0.804 64 A HN 0.396 nan 8.150 nan 0.000 0.453 65 L N -0.075 121.123 121.223 -0.042 0.000 2.023 65 L HA -0.073 4.267 4.340 0.001 0.000 0.205 65 L C 2.111 178.947 176.870 -0.056 0.000 1.073 65 L CA 2.127 56.916 54.840 -0.085 0.000 0.745 65 L CB -0.668 41.284 42.059 -0.178 0.000 0.900 65 L HN 0.324 nan 8.230 nan 0.000 0.435 66 E N -0.558 119.620 120.200 -0.037 0.000 2.130 66 E HA -0.214 4.137 4.350 0.001 0.000 0.196 66 E C 2.089 178.709 176.600 0.034 0.000 0.998 66 E CA 1.775 58.169 56.400 -0.010 0.000 0.806 66 E CB -0.562 29.141 29.700 0.006 0.000 0.738 66 E HN 0.544 nan 8.360 nan 0.000 0.459 67 T N 1.708 116.286 114.554 0.041 0.000 2.684 67 T HA -0.123 4.228 4.350 0.001 0.000 0.267 67 T C 2.100 176.867 174.700 0.113 0.000 1.036 67 T CA 0.832 62.975 62.100 0.071 0.000 1.148 67 T CB -0.249 68.647 68.868 0.046 0.000 0.863 67 T HN 0.087 nan 8.240 nan 0.000 0.436 68 L N 0.314 121.592 121.223 0.092 0.000 2.017 68 L HA -0.074 4.267 4.340 0.001 0.000 0.208 68 L C 2.423 179.394 176.870 0.168 0.000 1.073 68 L CA 1.240 56.168 54.840 0.146 0.000 0.745 68 L CB -0.433 41.681 42.059 0.090 0.000 0.894 68 L HN 0.283 nan 8.230 nan 0.000 0.432 69 L N -1.115 120.154 121.223 0.076 0.000 2.017 69 L HA -0.249 4.092 4.340 0.001 0.000 0.208 69 L C 2.746 179.651 176.870 0.058 0.000 1.073 69 L CA 1.260 56.131 54.840 0.053 0.000 0.745 69 L CB -0.675 41.363 42.059 -0.036 0.000 0.894 69 L HN 0.189 nan 8.230 nan 0.000 0.432 70 R N -0.788 119.760 120.500 0.081 0.000 2.113 70 R HA -0.267 4.073 4.340 0.001 0.000 0.244 70 R C 2.356 178.755 176.300 0.165 0.000 1.142 70 R CA 2.381 58.557 56.100 0.128 0.000 0.953 70 R CB -0.624 29.784 30.300 0.181 0.000 0.860 70 R HN 0.368 nan 8.270 nan 0.000 0.438 71 Y N -0.344 120.003 120.300 0.080 0.000 2.163 71 Y HA -0.322 4.229 4.550 0.001 0.000 0.288 71 Y C 2.267 178.205 175.900 0.064 0.000 1.136 71 Y CA 1.696 59.850 58.100 0.089 0.000 1.147 71 Y CB -0.386 38.132 38.460 0.095 0.000 0.987 71 Y HN 0.079 nan 8.280 nan 0.000 0.509 72 Y N 1.568 121.773 120.300 -0.158 0.000 2.114 72 Y HA -0.334 4.217 4.550 0.001 0.000 0.282 72 Y C 2.114 177.832 175.900 -0.302 0.000 1.165 72 Y CA 2.251 60.192 58.100 -0.266 0.000 1.148 72 Y CB -0.630 37.744 38.460 -0.144 0.000 0.972 72 Y HN 0.232 nan 8.280 nan 0.000 0.504 73 D N -0.443 119.785 120.400 -0.287 0.000 2.144 73 D HA -0.184 4.456 4.640 0.001 0.000 0.199 73 D C 2.073 178.124 176.300 -0.416 0.000 0.984 73 D CA 1.482 55.136 54.000 -0.576 0.000 0.834 73 D CB -0.317 39.798 40.800 -1.141 0.000 0.955 73 D HN 0.417 nan 8.370 nan 0.000 0.465 74 Q N 0.029 119.736 119.800 -0.154 0.000 2.049 74 Q HA -0.030 4.311 4.340 0.001 0.000 0.198 74 Q C 2.054 178.004 176.000 -0.083 0.000 0.971 74 Q CA 0.572 56.446 55.803 0.119 0.000 0.833 74 Q CB -0.183 28.708 28.738 0.255 0.000 0.896 74 Q HN 0.126 nan 8.270 nan 0.000 0.434 75 I N 0.019 120.366 120.570 -0.372 0.000 2.423 75 I HA -0.300 3.870 4.170 0.001 0.000 0.254 75 I C 1.734 177.612 176.117 -0.399 0.000 1.151 75 I CA 0.956 61.978 61.300 -0.462 0.000 1.421 75 I CB -0.840 36.701 38.000 -0.766 0.000 1.079 75 I HN 0.385 nan 8.210 nan 0.000 0.431 76 C N -0.456 118.578 119.300 -0.444 0.000 2.485 76 C HA 0.008 4.468 4.460 0.001 0.000 0.278 76 C C 2.867 177.768 174.990 -0.149 0.000 1.356 76 C CA 0.459 59.256 59.018 -0.368 0.000 1.747 76 C CB -0.685 26.748 27.740 -0.511 0.000 2.001 76 C HN 0.445 nan 8.230 nan 0.000 0.501 77 S N 1.003 116.671 115.700 -0.052 0.000 2.474 77 S HA -0.016 4.455 4.470 0.001 0.000 0.235 77 S C 1.415 176.077 174.600 0.103 0.000 0.997 77 S CA 0.976 59.227 58.200 0.084 0.000 0.949 77 S CB -0.214 63.133 63.200 0.245 0.000 0.766 77 S HN 0.528 nan 8.310 nan 0.000 0.517 78 I N 1.132 121.758 120.570 0.093 0.000 3.228 78 I HA 0.057 4.228 4.170 0.001 0.000 0.279 78 I C 2.238 178.554 176.117 0.332 0.000 1.221 78 I CA 0.579 61.997 61.300 0.196 0.000 1.458 78 I CB -0.110 37.989 38.000 0.165 0.000 1.105 78 I HN 0.194 nan 8.210 nan 0.000 0.445 79 E N 1.415 121.719 120.200 0.174 0.000 2.118 79 E HA -0.167 4.184 4.350 0.001 0.000 0.195 79 E C -0.864 175.882 176.600 0.244 0.000 0.992 79 E CA 1.029 57.576 56.400 0.245 0.000 0.804 79 E CB -0.490 29.218 29.700 0.013 0.000 0.741 79 E HN 0.311 nan 8.360 nan 0.000 0.458 80 P HA -0.018 nan 4.420 nan 0.000 0.253 80 P C -0.342 176.942 177.300 -0.028 0.000 1.281 80 P CA 0.532 63.658 63.100 0.043 0.000 0.792 80 P CB 0.235 31.951 31.700 0.027 0.000 1.193 81 K N 0.084 120.446 120.400 -0.063 0.000 2.989 81 K HA 0.270 4.591 4.320 0.001 0.000 0.260 81 K C 0.633 176.941 176.600 -0.487 0.000 0.982 81 K CA -1.039 55.046 56.287 -0.337 0.000 1.553 81 K CB -1.140 30.967 32.500 -0.655 0.000 3.152 81 K HN -0.122 nan 8.250 nan 0.000 0.970 82 F N 3.007 122.599 119.950 -0.597 0.000 2.140 82 F HA -0.090 4.438 4.527 0.001 0.000 0.449 82 F C -1.732 173.303 175.800 -1.275 0.000 0.840 82 F CA -0.865 56.409 58.000 -1.210 0.000 1.063 82 F CB -1.169 37.134 39.000 -1.162 0.000 0.824 82 F HN 0.167 nan 8.300 nan 0.000 0.523 83 P HA -0.019 nan 4.420 nan 0.000 0.252 83 P C 0.189 177.258 177.300 -0.386 0.000 1.635 83 P CA 0.585 63.395 63.100 -0.483 0.000 1.206 83 P CB -0.409 31.094 31.700 -0.328 0.000 1.911 84 F N 0.676 120.590 119.950 -0.059 0.000 2.098 84 F HA -0.142 4.385 4.527 0.001 0.000 0.294 84 F C 2.436 178.230 175.800 -0.010 0.000 1.107 84 F CA 1.275 59.266 58.000 -0.015 0.000 1.234 84 F CB -1.018 37.992 39.000 0.016 0.000 1.002 84 F HN 0.170 nan 8.300 nan 0.000 0.472 85 S N -0.479 115.328 115.700 0.178 0.000 2.626 85 S HA -0.148 4.323 4.470 0.001 0.000 0.245 85 S C 0.456 175.078 174.600 0.036 0.000 0.973 85 S CA 0.705 58.959 58.200 0.089 0.000 0.959 85 S CB -0.623 62.616 63.200 0.065 0.000 0.762 85 S HN 0.366 nan 8.310 nan 0.000 0.539 86 E N 1.401 121.610 120.200 0.014 0.000 3.374 86 E HA 0.342 4.693 4.350 0.001 0.000 0.223 86 E C -1.353 175.247 176.600 0.000 0.000 1.210 86 E CA -0.376 56.020 56.400 -0.006 0.000 0.987 86 E CB -0.018 29.661 29.700 -0.035 0.000 1.322 86 E HN 0.365 nan 8.360 nan 0.000 0.404 87 N N 2.117 120.833 118.700 0.025 0.000 2.291 87 N HA -0.112 4.628 4.740 0.001 0.000 0.281 87 N C 0.325 175.845 175.510 0.017 0.000 1.388 87 N CA 0.861 53.930 53.050 0.032 0.000 0.920 87 N CB 0.253 38.760 38.487 0.034 0.000 1.276 87 N HN 0.472 nan 8.380 nan 0.000 0.493 88 Q N 0.771 120.578 119.800 0.011 0.000 1.907 88 Q HA 0.255 4.596 4.340 0.001 0.000 0.195 88 Q C -0.569 175.437 176.000 0.011 0.000 0.742 88 Q CA -0.157 55.653 55.803 0.011 0.000 0.877 88 Q CB 0.735 29.481 28.738 0.013 0.000 1.216 88 Q HN 0.516 nan 8.270 nan 0.000 0.417 89 I N 0.692 121.266 120.570 0.008 0.000 2.371 89 I HA 0.104 4.275 4.170 0.001 0.000 0.290 89 I C 0.355 176.477 176.117 0.008 0.000 1.028 89 I CA -0.403 60.902 61.300 0.008 0.000 1.345 89 I CB 1.245 39.245 38.000 -0.001 0.000 1.407 89 I HN 0.103 nan 8.210 nan 0.000 0.501 90 C N 6.568 125.858 119.300 -0.016 0.000 2.396 90 C HA 0.204 4.665 4.460 0.001 0.000 0.334 90 C C 0.713 175.646 174.990 -0.096 0.000 1.313 90 C CA -0.339 58.655 59.018 -0.041 0.000 1.719 90 C CB -1.468 26.253 27.740 -0.031 0.000 1.893 90 C HN 0.524 nan 8.230 nan 0.000 0.589 91 L N 3.472 124.617 121.223 -0.129 0.000 2.623 91 L HA 0.185 4.526 4.340 0.001 0.000 0.281 91 L C 0.634 177.219 176.870 -0.476 0.000 1.150 91 L CA 0.939 55.594 54.840 -0.308 0.000 0.965 91 L CB -0.519 41.375 42.059 -0.274 0.000 1.303 91 L HN 0.354 nan 8.230 nan 0.000 0.467 92 T N 2.438 116.754 114.554 -0.396 0.000 2.756 92 T HA 0.482 4.833 4.350 0.001 0.000 0.290 92 T C -0.107 174.428 174.700 -0.275 0.000 0.985 92 T CA -0.507 61.428 62.100 -0.274 0.000 0.955 92 T CB 0.021 68.826 68.868 -0.105 0.000 0.930 92 T HN 0.185 nan 8.240 nan 0.000 0.451 93 F N 1.788 121.838 119.950 0.166 0.000 2.396 93 F HA 0.479 5.007 4.527 0.001 0.000 0.343 93 F C 1.032 177.012 175.800 0.299 0.000 1.104 93 F CA -0.703 57.437 58.000 0.232 0.000 1.161 93 F CB 1.320 40.565 39.000 0.409 0.000 1.146 93 F HN 0.446 nan 8.300 nan 0.000 0.522 94 T N 2.321 117.034 114.554 0.264 0.000 2.847 94 T HA 0.353 4.704 4.350 0.001 0.000 0.291 94 T C -1.246 173.423 174.700 -0.052 0.000 0.998 94 T CA -0.670 61.539 62.100 0.181 0.000 0.967 94 T CB 0.376 69.272 68.868 0.046 0.000 0.954 94 T HN 0.401 nan 8.240 nan 0.000 0.441 95 W N 1.905 123.328 121.300 0.205 0.000 2.781 95 W HA 0.587 5.248 4.660 0.001 0.000 0.345 95 W C 0.004 176.553 176.519 0.050 0.000 1.085 95 W CA -1.045 56.336 57.345 0.061 0.000 1.198 95 W CB 1.412 30.816 29.460 -0.093 0.000 1.423 95 W HN 0.315 nan 8.180 nan 0.000 0.532 96 K N 1.087 121.616 120.400 0.216 0.000 2.123 96 K HA 0.255 4.575 4.320 0.001 0.000 0.259 96 K C -0.710 175.914 176.600 0.041 0.000 0.960 96 K CA -1.086 55.265 56.287 0.107 0.000 0.872 96 K CB 1.392 33.925 32.500 0.055 0.000 1.079 96 K HN 0.392 nan 8.250 nan 0.000 0.440 97 D N 0.712 121.106 120.400 -0.009 0.000 2.515 97 D HA -0.087 4.554 4.640 0.001 0.000 0.232 97 D C 0.850 177.039 176.300 -0.186 0.000 1.157 97 D CA 0.521 54.450 54.000 -0.119 0.000 0.871 97 D CB 0.883 41.651 40.800 -0.053 0.000 1.200 97 D HN 0.569 nan 8.370 nan 0.000 0.466 98 A N 2.877 125.426 122.820 -0.451 0.000 1.929 98 A HA -0.049 4.271 4.320 0.001 0.000 0.216 98 A C 1.621 179.039 177.584 -0.278 0.000 1.176 98 A CA 0.790 52.539 52.037 -0.480 0.000 0.628 98 A CB -0.361 18.132 19.000 -0.845 0.000 0.816 98 A HN 0.675 nan 8.150 nan 0.000 0.444 99 F N -0.836 119.149 119.950 0.059 0.000 2.695 99 F HA 0.183 4.710 4.527 0.001 0.000 0.303 99 F C 0.081 175.915 175.800 0.056 0.000 1.091 99 F CA -0.127 57.913 58.000 0.067 0.000 1.300 99 F CB 0.427 39.463 39.000 0.061 0.000 1.071 99 F HN 0.064 nan 8.300 nan 0.000 0.578 100 D N 1.568 122.058 120.400 0.150 0.000 2.746 100 D HA -0.150 4.491 4.640 0.001 0.000 0.236 100 D C -0.328 176.047 176.300 0.126 0.000 1.129 100 D CA 0.655 54.724 54.000 0.114 0.000 0.691 100 D CB -0.734 40.133 40.800 0.112 0.000 1.077 100 D HN 0.266 nan 8.370 nan 0.000 0.432 101 K N -0.046 120.434 120.400 0.134 0.000 2.259 101 K HA 0.767 5.088 4.320 0.001 0.000 0.252 101 K C 0.714 177.359 176.600 0.074 0.000 0.936 101 K CA -0.533 55.831 56.287 0.128 0.000 0.810 101 K CB 2.546 35.164 32.500 0.196 0.000 1.143 101 K HN 0.133 nan 8.250 nan 0.000 0.427 102 G N -0.342 108.488 108.800 0.051 0.000 3.021 102 G HA2 0.243 4.203 3.960 0.001 0.000 0.290 102 G HA3 0.243 4.203 3.960 0.001 0.000 0.290 102 G C -0.532 174.357 174.900 -0.019 0.000 1.291 102 G CA -0.585 44.522 45.100 0.012 0.000 0.834 102 G HN 0.405 nan 8.290 nan 0.000 0.564 103 S N -0.671 114.995 115.700 -0.057 0.000 2.537 103 S HA 0.630 5.100 4.470 0.001 0.000 0.246 103 S C -0.024 174.452 174.600 -0.207 0.000 1.036 103 S CA -0.322 57.812 58.200 -0.110 0.000 1.041 103 S CB -0.529 62.621 63.200 -0.084 0.000 0.799 103 S HN 0.353 nan 8.310 nan 0.000 0.456 104 L N 0.031 121.124 121.223 -0.218 0.000 2.469 104 L HA 0.537 4.878 4.340 0.001 0.000 0.256 104 L C -1.086 175.650 176.870 -0.224 0.000 1.006 104 L CA -1.036 53.606 54.840 -0.330 0.000 0.832 104 L CB 2.055 44.011 42.059 -0.172 0.000 1.421 104 L HN 0.240 nan 8.230 nan 0.000 0.410 105 F N 1.374 121.331 119.950 0.011 0.000 2.661 105 F HA 0.287 4.815 4.527 0.001 0.000 0.356 105 F C 1.105 176.914 175.800 0.015 0.000 1.244 105 F CA -0.314 57.693 58.000 0.013 0.000 1.290 105 F CB -0.032 38.974 39.000 0.010 0.000 1.677 105 F HN 0.483 nan 8.300 nan 0.000 0.649 106 G N 0.281 109.178 108.800 0.161 0.000 3.019 106 G HA2 0.516 4.476 3.960 0.001 0.000 0.152 106 G HA3 0.516 4.476 3.960 0.001 0.000 0.152 106 G C 0.725 175.686 174.900 0.101 0.000 1.320 106 G CA -0.108 45.056 45.100 0.106 0.000 1.013 106 G HN 0.418 nan 8.290 nan 0.000 0.593 107 G N -1.537 107.308 108.800 0.076 0.000 3.873 107 G HA2 0.450 4.411 3.960 0.001 0.000 0.232 107 G HA3 0.450 4.411 3.960 0.001 0.000 0.232 107 G C -0.024 174.914 174.900 0.065 0.000 1.097 107 G CA 1.300 46.443 45.100 0.071 0.000 0.889 107 G HN 1.332 nan 8.290 nan 0.000 0.532 108 S N -1.248 114.487 115.700 0.058 0.000 2.633 108 S HA 0.619 5.090 4.470 0.001 0.000 0.271 108 S C -2.353 172.273 174.600 0.043 0.000 1.112 108 S CA -0.261 57.970 58.200 0.051 0.000 0.828 108 S CB 1.753 64.979 63.200 0.043 0.000 1.086 108 S HN 0.810 nan 8.310 nan 0.000 0.461 109 V N 2.679 122.616 119.914 0.039 0.000 3.000 109 V HA 0.597 4.718 4.120 0.001 0.000 0.300 109 V C -1.378 174.741 176.094 0.043 0.000 1.251 109 V CA -0.627 61.693 62.300 0.034 0.000 0.972 109 V CB 2.184 34.023 31.823 0.027 0.000 1.065 109 V HN 0.978 nan 8.190 nan 0.000 0.431 110 K N 3.619 124.046 120.400 0.046 0.000 2.238 110 K HA 0.798 5.119 4.320 0.001 0.000 0.239 110 K C -1.660 174.984 176.600 0.073 0.000 0.987 110 K CA -0.963 55.366 56.287 0.070 0.000 0.857 110 K CB 2.475 35.009 32.500 0.056 0.000 1.154 110 K HN 0.384 nan 8.250 nan 0.000 0.439 111 L N 0.846 122.145 121.223 0.126 0.000 2.528 111 L HA 0.424 4.765 4.340 0.001 0.000 0.267 111 L C -1.703 175.227 176.870 0.099 0.000 0.961 111 L CA -0.148 54.730 54.840 0.064 0.000 0.866 111 L CB 1.741 43.813 42.059 0.021 0.000 1.248 111 L HN 0.757 nan 8.230 nan 0.000 0.404 112 A N 5.357 128.189 122.820 0.021 0.000 2.276 112 A HA 0.840 5.161 4.320 0.001 0.000 0.316 112 A C -1.282 176.262 177.584 -0.067 0.000 1.229 112 A CA -0.334 51.737 52.037 0.056 0.000 0.851 112 A CB 0.810 19.835 19.000 0.042 0.000 1.165 112 A HN 0.681 nan 8.150 nan 0.000 0.513 113 L N 1.571 122.765 121.223 -0.050 0.000 2.409 113 L HA 0.638 4.979 4.340 0.001 0.000 0.262 113 L C 0.581 177.509 176.870 0.098 0.000 0.992 113 L CA -0.195 54.594 54.840 -0.085 0.000 0.817 113 L CB 2.266 44.121 42.059 -0.341 0.000 1.350 113 L HN 0.759 nan 8.230 nan 0.000 0.411 114 A N 1.959 124.808 122.820 0.048 0.000 3.074 114 A HA 0.525 4.845 4.320 0.001 0.000 0.251 114 A C 0.037 177.710 177.584 0.147 0.000 1.695 114 A CA 0.295 52.374 52.037 0.070 0.000 1.343 114 A CB -0.590 18.424 19.000 0.024 0.000 1.078 114 A HN 0.454 nan 8.150 nan 0.000 0.644 115 S N 0.367 116.232 115.700 0.276 0.000 2.566 115 S HA 0.395 4.866 4.470 0.001 0.000 0.273 115 S C 0.204 174.980 174.600 0.295 0.000 1.157 115 S CA -0.576 57.772 58.200 0.246 0.000 0.938 115 S CB 0.890 64.184 63.200 0.156 0.000 1.087 115 S HN 0.342 nan 8.310 nan 0.000 0.474 116 L N 5.266 126.541 121.223 0.086 0.000 2.201 116 L HA 0.249 4.590 4.340 0.001 0.000 0.212 116 L C 2.347 179.115 176.870 -0.171 0.000 1.105 116 L CA 2.493 57.223 54.840 -0.184 0.000 0.775 116 L CB -0.831 40.885 42.059 -0.572 0.000 0.913 116 L HN 0.974 nan 8.230 nan 0.000 0.440 117 G N -1.767 107.002 108.800 -0.052 0.000 2.422 117 G HA2 -0.373 3.588 3.960 0.001 0.000 0.218 117 G HA3 -0.373 3.588 3.960 0.001 0.000 0.218 117 G C 1.546 176.454 174.900 0.013 0.000 1.146 117 G CA 0.974 46.059 45.100 -0.026 0.000 0.769 117 G HN 0.465 nan 8.290 nan 0.000 0.547 118 Y N 1.545 121.801 120.300 -0.074 0.000 2.153 118 Y HA -0.069 4.482 4.550 0.002 0.000 0.289 118 Y C 2.747 178.525 175.900 -0.204 0.000 1.127 118 Y CA 1.867 59.913 58.100 -0.090 0.000 1.131 118 Y CB -0.483 37.989 38.460 0.020 0.000 0.995 118 Y HN 0.309 nan 8.280 nan 0.000 0.505 119 E N 1.096 121.152 120.200 -0.241 0.000 2.086 119 E HA -0.305 4.045 4.350 0.001 0.000 0.205 119 E C 2.061 178.409 176.600 -0.420 0.000 1.027 119 E CA 2.854 58.952 56.400 -0.503 0.000 0.830 119 E CB -0.417 28.630 29.700 -1.088 0.000 0.751 119 E HN 0.662 nan 8.360 nan 0.000 0.456 120 K N -0.518 119.698 120.400 -0.307 0.000 2.148 120 K HA 0.017 4.338 4.320 0.001 0.000 0.204 120 K C 2.323 178.901 176.600 -0.036 0.000 1.050 120 K CA 1.428 57.630 56.287 -0.142 0.000 0.942 120 K CB -0.214 32.179 32.500 -0.178 0.000 0.724 120 K HN -0.041 nan 8.250 nan 0.000 0.446 121 S N 1.206 116.818 115.700 -0.146 0.000 2.370 121 S HA -0.141 4.330 4.470 0.001 0.000 0.226 121 S C 2.186 176.610 174.600 -0.295 0.000 1.033 121 S CA 1.338 59.449 58.200 -0.148 0.000 1.011 121 S CB -0.457 62.663 63.200 -0.133 0.000 0.852 121 S HN 0.442 nan 8.310 nan 0.000 0.457 122 C N 0.850 119.752 119.300 -0.664 0.000 2.466 122 C HA 0.040 4.501 4.460 0.001 0.000 0.278 122 C C 2.659 177.245 174.990 -0.673 0.000 1.288 122 C CA 0.194 58.598 59.018 -1.023 0.000 1.722 122 C CB -1.259 25.056 27.740 -2.374 0.000 2.017 122 C HN 0.406 nan 8.230 nan 0.000 0.488 123 V N 0.815 120.470 119.914 -0.431 0.000 2.295 123 V HA -0.209 3.912 4.120 0.001 0.000 0.246 123 V C 2.406 178.469 176.094 -0.051 0.000 1.049 123 V CA 1.891 64.163 62.300 -0.047 0.000 1.024 123 V CB -0.786 31.155 31.823 0.195 0.000 0.648 123 V HN 0.450 nan 8.190 nan 0.000 0.447 124 L N -0.350 120.782 121.223 -0.152 0.000 2.042 124 L HA -0.186 4.154 4.340 0.001 0.000 0.210 124 L C 2.181 178.932 176.870 -0.198 0.000 1.076 124 L CA 2.041 56.669 54.840 -0.353 0.000 0.749 124 L CB -0.911 40.863 42.059 -0.475 0.000 0.893 124 L HN 0.390 nan 8.230 nan 0.000 0.432 125 F N -0.003 119.814 119.950 -0.220 0.000 2.126 125 F HA -0.280 4.247 4.527 0.001 0.000 0.299 125 F C 2.156 177.915 175.800 -0.069 0.000 1.096 125 F CA 1.777 59.731 58.000 -0.078 0.000 1.255 125 F CB -0.178 38.791 39.000 -0.052 0.000 0.997 125 F HN 0.225 nan 8.300 nan 0.000 0.479 126 N N -0.087 118.751 118.700 0.229 0.000 2.244 126 N HA -0.153 4.587 4.740 0.001 0.000 0.183 126 N C 1.850 177.381 175.510 0.035 0.000 1.016 126 N CA 1.485 54.640 53.050 0.175 0.000 0.866 126 N CB -0.827 37.778 38.487 0.195 0.000 0.980 126 N HN 0.338 nan 8.380 nan 0.000 0.430 127 C N 0.183 119.472 119.300 -0.019 0.000 2.453 127 C HA 0.053 4.514 4.460 0.001 0.000 0.277 127 C C 2.784 177.785 174.990 0.019 0.000 1.262 127 C CA 0.639 59.661 59.018 0.006 0.000 1.718 127 C CB -1.260 26.500 27.740 0.034 0.000 2.031 127 C HN 0.484 nan 8.230 nan 0.000 0.480 128 A N 0.599 123.268 122.820 -0.250 0.000 1.902 128 A HA 0.080 4.401 4.320 0.001 0.000 0.217 128 A C 2.348 179.701 177.584 -0.385 0.000 1.181 128 A CA 2.113 53.804 52.037 -0.577 0.000 0.623 128 A CB -0.876 17.124 19.000 -1.666 0.000 0.818 128 A HN 0.566 nan 8.150 nan 0.000 0.443 129 A N -0.588 122.074 122.820 -0.265 0.000 1.873 129 A HA 0.020 4.340 4.320 0.001 0.000 0.215 129 A C 2.143 179.715 177.584 -0.020 0.000 1.186 129 A CA 1.608 53.616 52.037 -0.048 0.000 0.616 129 A CB -0.705 18.315 19.000 0.033 0.000 0.823 129 A HN 0.594 nan 8.150 nan 0.000 0.442 130 L N -0.071 121.129 121.223 -0.038 0.000 2.012 130 L HA -0.150 4.191 4.340 0.001 0.000 0.210 130 L C 2.775 179.537 176.870 -0.179 0.000 1.073 130 L CA 2.258 57.050 54.840 -0.079 0.000 0.748 130 L CB -0.705 41.310 42.059 -0.073 0.000 0.891 130 L HN 0.382 nan 8.230 nan 0.000 0.431 131 A N -0.873 121.834 122.820 -0.189 0.000 1.892 131 A HA -0.318 4.003 4.320 0.001 0.000 0.218 131 A C 2.531 179.977 177.584 -0.230 0.000 1.188 131 A CA 2.670 54.532 52.037 -0.292 0.000 0.631 131 A CB -1.386 17.604 19.000 -0.017 0.000 0.822 131 A HN 0.693 nan 8.150 nan 0.000 0.447 132 S N -0.472 115.185 115.700 -0.071 0.000 2.370 132 S HA -0.310 4.161 4.470 0.001 0.000 0.226 132 S C 1.991 176.574 174.600 -0.028 0.000 1.033 132 S CA 1.736 59.957 58.200 0.035 0.000 1.011 132 S CB -0.657 62.662 63.200 0.199 0.000 0.852 132 S HN 0.696 nan 8.310 nan 0.000 0.457 133 Q N 0.501 120.271 119.800 -0.051 0.000 2.079 133 Q HA 0.050 4.391 4.340 0.001 0.000 0.200 133 Q C 2.311 178.210 176.000 -0.168 0.000 0.974 133 Q CA 1.652 57.419 55.803 -0.059 0.000 0.840 133 Q CB -0.410 28.309 28.738 -0.033 0.000 0.898 133 Q HN 0.630 nan 8.270 nan 0.000 0.430 134 I N 0.665 121.050 120.570 -0.309 0.000 2.226 134 I HA -0.276 3.895 4.170 0.001 0.000 0.245 134 I C 2.386 178.277 176.117 -0.377 0.000 1.100 134 I CA 1.034 62.072 61.300 -0.438 0.000 1.374 134 I CB -0.329 37.235 38.000 -0.727 0.000 1.057 134 I HN 0.148 nan 8.210 nan 0.000 0.413 135 A N 0.572 123.131 122.820 -0.434 0.000 1.902 135 A HA -0.123 4.198 4.320 0.001 0.000 0.217 135 A C 2.423 179.735 177.584 -0.454 0.000 1.181 135 A CA 1.722 53.409 52.037 -0.583 0.000 0.623 135 A CB -0.857 17.375 19.000 -1.281 0.000 0.818 135 A HN 0.413 nan 8.150 nan 0.000 0.443 136 A N -1.153 121.523 122.820 -0.240 0.000 2.239 136 A HA 0.024 4.345 4.320 0.001 0.000 0.209 136 A C 1.735 179.288 177.584 -0.051 0.000 1.171 136 A CA 1.392 53.394 52.037 -0.058 0.000 0.768 136 A CB -0.321 18.772 19.000 0.155 0.000 0.790 136 A HN 0.642 nan 8.150 nan 0.000 0.478 137 E N -0.716 119.425 120.200 -0.100 0.000 2.431 137 E HA 0.018 4.369 4.350 0.001 0.000 0.200 137 E C -0.037 176.532 176.600 -0.052 0.000 0.995 137 E CA -0.295 56.077 56.400 -0.048 0.000 0.915 137 E CB 0.148 29.813 29.700 -0.059 0.000 0.930 137 E HN 0.457 nan 8.360 nan 0.000 0.496 138 Q N 1.366 121.101 119.800 -0.107 0.000 2.304 138 Q HA -0.082 4.259 4.340 0.001 0.000 0.301 138 Q C -0.113 175.858 176.000 -0.048 0.000 1.063 138 Q CA 0.266 56.019 55.803 -0.085 0.000 0.947 138 Q CB 0.131 28.788 28.738 -0.134 0.000 1.201 138 Q HN 0.101 nan 8.270 nan 0.000 0.389 139 N N 2.673 121.360 118.700 -0.022 0.000 2.402 139 N HA -0.026 4.715 4.740 0.001 0.000 0.259 139 N C -0.101 175.399 175.510 -0.016 0.000 1.167 139 N CA -0.074 52.973 53.050 -0.006 0.000 0.949 139 N CB 0.265 38.753 38.487 0.001 0.000 1.212 139 N HN 0.338 nan 8.380 nan 0.000 0.493 140 L N 2.275 123.497 121.223 -0.003 0.000 2.650 140 L HA 0.114 4.454 4.340 0.001 0.000 0.235 140 L C 0.857 177.724 176.870 -0.006 0.000 1.149 140 L CA 0.681 55.517 54.840 -0.006 0.000 0.887 140 L CB -0.539 41.541 42.059 0.035 0.000 1.021 140 L HN 0.546 nan 8.230 nan 0.000 0.441 141 D N -0.821 119.577 120.400 -0.003 0.000 2.340 141 D HA 0.015 4.655 4.640 0.001 0.000 0.220 141 D C 0.673 176.961 176.300 -0.020 0.000 1.039 141 D CA 0.278 54.273 54.000 -0.008 0.000 0.866 141 D CB 0.216 41.017 40.800 0.001 0.000 0.913 141 D HN 0.410 nan 8.370 nan 0.000 0.523 142 N N -0.275 118.409 118.700 -0.027 0.000 2.262 142 N HA 0.086 4.827 4.740 0.001 0.000 0.295 142 N C -0.130 175.353 175.510 -0.045 0.000 1.161 142 N CA -0.500 52.532 53.050 -0.030 0.000 0.767 142 N CB 2.128 40.602 38.487 -0.022 0.000 1.499 142 N HN -0.440 nan 8.380 nan 0.000 0.476 143 D N 0.141 120.514 120.400 -0.045 0.000 2.213 143 D HA -0.045 4.595 4.640 0.001 0.000 0.205 143 D C 0.964 177.226 176.300 -0.063 0.000 0.961 143 D CA 0.825 54.791 54.000 -0.057 0.000 0.853 143 D CB 0.170 40.942 40.800 -0.046 0.000 0.967 143 D HN 0.566 nan 8.370 nan 0.000 0.496 144 E N 0.446 120.617 120.200 -0.049 0.000 2.106 144 E HA -0.069 4.282 4.350 0.001 0.000 0.192 144 E C 2.086 178.651 176.600 -0.059 0.000 0.984 144 E CA 0.762 57.133 56.400 -0.048 0.000 0.806 144 E CB -0.153 29.529 29.700 -0.031 0.000 0.750 144 E HN 0.296 nan 8.360 nan 0.000 0.458 145 G N 1.599 110.366 108.800 -0.055 0.000 2.480 145 G HA2 -0.252 3.708 3.960 0.001 0.000 0.216 145 G HA3 -0.252 3.708 3.960 0.001 0.000 0.216 145 G C 1.728 176.568 174.900 -0.101 0.000 1.200 145 G CA 0.774 45.835 45.100 -0.066 0.000 0.782 145 G HN 0.157 nan 8.290 nan 0.000 0.554 146 L N 0.231 121.387 121.223 -0.111 0.000 1.989 146 L HA -0.121 4.219 4.340 0.001 0.000 0.211 146 L C 2.805 179.557 176.870 -0.197 0.000 1.071 146 L CA 1.897 56.642 54.840 -0.159 0.000 0.749 146 L CB -0.452 41.500 42.059 -0.177 0.000 0.890 146 L HN 0.218 nan 8.230 nan 0.000 0.431 147 K N 0.487 120.786 120.400 -0.168 0.000 2.113 147 K HA -0.187 4.134 4.320 0.001 0.000 0.208 147 K C 1.986 178.492 176.600 -0.157 0.000 1.047 147 K CA 1.539 57.732 56.287 -0.156 0.000 0.928 147 K CB -0.090 32.346 32.500 -0.106 0.000 0.716 147 K HN 0.243 nan 8.250 nan 0.000 0.446 148 I N -0.114 120.368 120.570 -0.146 0.000 2.584 148 I HA -0.120 4.051 4.170 0.001 0.000 0.255 148 I C 2.254 178.262 176.117 -0.181 0.000 1.145 148 I CA 0.661 61.860 61.300 -0.168 0.000 1.462 148 I CB -0.153 37.804 38.000 -0.071 0.000 1.102 148 I HN 0.236 nan 8.210 nan 0.000 0.433 149 A N 0.897 123.604 122.820 -0.189 0.000 1.873 149 A HA -0.129 4.192 4.320 0.001 0.000 0.215 149 A C 2.517 179.998 177.584 -0.172 0.000 1.186 149 A CA 1.746 53.608 52.037 -0.292 0.000 0.616 149 A CB -0.745 18.111 19.000 -0.241 0.000 0.823 149 A HN 0.393 nan 8.150 nan 0.000 0.442 150 A N -0.140 122.630 122.820 -0.083 0.000 1.969 150 A HA -0.138 4.183 4.320 0.001 0.000 0.218 150 A C 2.117 179.743 177.584 0.071 0.000 1.169 150 A CA 1.975 54.035 52.037 0.040 0.000 0.635 150 A CB -0.377 18.528 19.000 -0.159 0.000 0.810 150 A HN 0.617 nan 8.150 nan 0.000 0.445 151 K N -1.504 118.853 120.400 -0.072 0.000 2.076 151 K HA -0.144 4.177 4.320 0.001 0.000 0.204 151 K C 1.919 178.449 176.600 -0.116 0.000 1.051 151 K CA 1.159 57.379 56.287 -0.112 0.000 0.949 151 K CB -0.347 32.014 32.500 -0.231 0.000 0.726 151 K HN 0.528 nan 8.250 nan 0.000 0.443 152 H N -0.416 118.594 119.070 -0.100 0.000 2.357 152 H HA -0.106 4.451 4.556 0.001 0.000 0.301 152 H C 1.925 177.246 175.328 -0.012 0.000 1.082 152 H CA 1.632 57.609 56.048 -0.117 0.000 1.342 152 H CB -0.428 29.162 29.762 -0.286 0.000 1.389 152 H HN 0.341 nan 8.280 nan 0.000 0.511 153 Y N 1.397 121.772 120.300 0.125 0.000 2.181 153 Y HA -0.225 4.325 4.550 0.001 0.000 0.288 153 Y C 2.874 178.806 175.900 0.054 0.000 1.146 153 Y CA 0.833 58.981 58.100 0.080 0.000 1.164 153 Y CB 0.013 38.509 38.460 0.060 0.000 0.982 153 Y HN 0.207 nan 8.280 nan 0.000 0.515 154 Q N -0.795 119.138 119.800 0.221 0.000 2.167 154 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 154 Q C 2.017 178.058 176.000 0.067 0.000 0.970 154 Q CA 1.534 57.405 55.803 0.112 0.000 0.855 154 Q CB -0.308 28.493 28.738 0.106 0.000 0.911 154 Q HN 0.530 nan 8.270 nan 0.000 0.438 155 F N 1.090 121.023 119.950 -0.029 0.000 2.102 155 F HA -0.192 4.336 4.527 0.002 0.000 0.298 155 F C 2.113 177.830 175.800 -0.138 0.000 1.105 155 F CA 1.455 59.406 58.000 -0.081 0.000 1.239 155 F CB -0.341 38.618 39.000 -0.068 0.000 0.991 155 F HN -0.009 nan 8.300 nan 0.000 0.474 156 A N -0.600 122.173 122.820 -0.079 0.000 1.902 156 A HA -0.195 4.125 4.320 0.001 0.000 0.217 156 A C 2.359 179.730 177.584 -0.356 0.000 1.181 156 A CA 1.921 53.752 52.037 -0.343 0.000 0.623 156 A CB -1.541 17.422 19.000 -0.061 0.000 0.818 156 A HN 0.504 nan 8.150 nan 0.000 0.443 157 S N -0.458 115.192 115.700 -0.085 0.000 2.359 157 S HA -0.088 4.383 4.470 0.001 0.000 0.224 157 S C 2.049 176.589 174.600 -0.100 0.000 1.035 157 S CA 2.040 60.233 58.200 -0.012 0.000 1.018 157 S CB -0.765 62.416 63.200 -0.032 0.000 0.876 157 S HN 0.704 nan 8.310 nan 0.000 0.448 158 G N 0.405 109.076 108.800 -0.215 0.000 2.408 158 G HA2 0.081 4.041 3.960 0.001 0.000 0.217 158 G HA3 0.081 4.041 3.960 0.001 0.000 0.217 158 G C 1.691 176.401 174.900 -0.316 0.000 1.150 158 G CA 0.874 45.837 45.100 -0.228 0.000 0.776 158 G HN 0.719 nan 8.290 nan 0.000 0.542 159 A N 0.602 123.055 122.820 -0.612 0.000 1.873 159 A HA 0.141 4.462 4.320 0.001 0.000 0.215 159 A C 2.192 179.578 177.584 -0.330 0.000 1.186 159 A CA 1.113 52.755 52.037 -0.658 0.000 0.616 159 A CB -0.625 17.734 19.000 -1.068 0.000 0.823 159 A HN 0.360 nan 8.150 nan 0.000 0.442 160 F N -1.046 118.759 119.950 -0.242 0.000 2.202 160 F HA -0.181 4.346 4.527 0.001 0.000 0.301 160 F C 2.092 177.839 175.800 -0.087 0.000 1.082 160 F CA 0.902 58.812 58.000 -0.150 0.000 1.313 160 F CB -0.070 38.842 39.000 -0.148 0.000 1.024 160 F HN 0.270 nan 8.300 nan 0.000 0.495 161 L N -0.841 120.434 121.223 0.085 0.000 2.270 161 L HA -0.135 4.205 4.340 0.001 0.000 0.210 161 L C 2.364 179.256 176.870 0.036 0.000 1.104 161 L CA 1.456 56.322 54.840 0.043 0.000 0.804 161 L CB -0.856 41.208 42.059 0.007 0.000 0.937 161 L HN 0.140 nan 8.230 nan 0.000 0.450 162 H N -0.579 118.450 119.070 -0.068 0.000 2.428 162 H HA -0.062 4.495 4.556 0.001 0.000 0.296 162 H C 2.160 177.470 175.328 -0.030 0.000 1.062 162 H CA 1.792 57.803 56.048 -0.063 0.000 1.350 162 H CB 0.343 30.039 29.762 -0.110 0.000 1.403 162 H HN 0.359 nan 8.280 nan 0.000 0.533 163 I N 0.939 121.536 120.570 0.045 0.000 2.142 163 I HA -0.292 3.878 4.170 0.001 0.000 0.240 163 I C 2.752 178.868 176.117 -0.002 0.000 1.078 163 I CA 1.486 62.806 61.300 0.032 0.000 1.343 163 I CB -0.328 37.746 38.000 0.125 0.000 1.046 163 I HN 0.174 nan 8.210 nan 0.000 0.405 164 K N 1.172 121.583 120.400 0.018 0.000 2.127 164 K HA -0.224 4.097 4.320 0.001 0.000 0.208 164 K C 1.684 178.260 176.600 -0.039 0.000 1.047 164 K CA 1.718 58.004 56.287 -0.001 0.000 0.927 164 K CB 0.013 32.516 32.500 0.005 0.000 0.716 164 K HN 0.305 nan 8.250 nan 0.000 0.450 165 E N -0.612 119.539 120.200 -0.082 0.000 2.474 165 E HA -0.015 4.336 4.350 0.001 0.000 0.194 165 E C 1.219 177.729 176.600 -0.150 0.000 1.041 165 E CA 0.561 56.896 56.400 -0.109 0.000 0.874 165 E CB 0.766 30.395 29.700 -0.118 0.000 0.914 165 E HN 0.328 nan 8.360 nan 0.000 0.498 166 T N 0.510 114.962 114.554 -0.170 0.000 3.071 166 T HA -0.019 4.332 4.350 0.001 0.000 0.239 166 T C 2.156 176.813 174.700 -0.073 0.000 0.997 166 T CA 0.941 62.941 62.100 -0.166 0.000 1.134 166 T CB 0.124 68.846 68.868 -0.243 0.000 0.928 166 T HN 0.064 nan 8.240 nan 0.000 0.453 167 V N 2.218 122.106 119.914 -0.044 0.000 2.233 167 V HA -0.251 3.869 4.120 0.001 0.000 0.252 167 V C 2.375 178.467 176.094 -0.003 0.000 1.063 167 V CA 1.908 64.203 62.300 -0.010 0.000 1.032 167 V CB -1.570 30.257 31.823 0.006 0.000 0.645 167 V HN 0.404 nan 8.190 nan 0.000 0.446 168 L N 0.043 121.260 121.223 -0.011 0.000 2.046 168 L HA -0.128 4.213 4.340 0.001 0.000 0.208 168 L C 2.879 179.744 176.870 -0.008 0.000 1.077 168 L CA 2.000 56.835 54.840 -0.008 0.000 0.747 168 L CB -0.797 41.256 42.059 -0.011 0.000 0.896 168 L HN 0.371 nan 8.230 nan 0.000 0.432 169 S N -0.481 115.210 115.700 -0.015 0.000 2.383 169 S HA -0.102 4.369 4.470 0.001 0.000 0.227 169 S C 2.015 176.612 174.600 -0.005 0.000 1.026 169 S CA 1.185 59.378 58.200 -0.013 0.000 0.981 169 S CB -0.052 63.136 63.200 -0.021 0.000 0.818 169 S HN 0.485 nan 8.310 nan 0.000 0.472 170 A N 1.066 123.883 122.820 -0.005 0.000 1.832 170 A HA 0.264 4.584 4.320 0.001 0.000 0.214 170 A C 1.022 178.620 177.584 0.022 0.000 1.242 170 A CA 0.290 52.330 52.037 0.006 0.000 0.603 170 A CB -0.783 18.217 19.000 0.000 0.000 0.902 170 A HN 0.477 nan 8.150 nan 0.000 0.455 171 L N 1.111 122.354 121.223 0.034 0.000 2.477 171 L HA 0.230 4.571 4.340 0.001 0.000 0.272 171 L C 0.179 177.055 176.870 0.010 0.000 1.157 171 L CA 0.029 54.894 54.840 0.042 0.000 0.889 171 L CB 0.839 42.945 42.059 0.079 0.000 1.158 171 L HN 0.209 nan 8.230 nan 0.000 0.473 172 S N 6.237 121.937 115.700 -0.000 0.000 3.334 172 S HA 0.473 4.943 4.470 0.001 0.000 0.188 172 S C -0.259 174.325 174.600 -0.026 0.000 1.404 172 S CA -0.618 57.577 58.200 -0.009 0.000 1.040 172 S CB -0.687 62.512 63.200 -0.001 0.000 1.352 172 S HN 0.728 nan 8.310 nan 0.000 0.501 173 R N 0.668 121.149 120.500 -0.033 0.000 2.921 173 R HA 0.244 4.585 4.340 0.001 0.000 0.268 173 R C -1.497 174.781 176.300 -0.037 0.000 1.008 173 R CA -0.739 55.333 56.100 -0.047 0.000 0.876 173 R CB 0.617 30.866 30.300 -0.086 0.000 1.395 173 R HN 0.476 nan 8.270 nan 0.000 0.443 174 E N 2.460 122.636 120.200 -0.040 0.000 2.130 174 E HA 0.361 4.712 4.350 0.001 0.000 0.284 174 E C -2.104 174.481 176.600 -0.025 0.000 1.018 174 E CA -1.778 54.606 56.400 -0.027 0.000 0.817 174 E CB 1.044 30.729 29.700 -0.024 0.000 1.078 174 E HN 0.086 nan 8.360 nan 0.000 0.396 175 P HA 0.031 nan 4.420 nan 0.000 0.272 175 P C -0.649 176.664 177.300 0.022 0.000 1.230 175 P CA -0.421 62.696 63.100 0.028 0.000 0.788 175 P CB 0.541 32.265 31.700 0.040 0.000 0.949 176 T N -1.773 112.806 114.554 0.041 0.000 2.855 176 T HA 0.019 4.369 4.350 0.001 0.000 0.322 176 T C 1.430 176.130 174.700 -0.000 0.000 1.088 176 T CA -0.589 61.520 62.100 0.015 0.000 1.104 176 T CB -0.027 68.845 68.868 0.007 0.000 0.996 176 T HN 0.060 nan 8.240 nan 0.000 0.549 177 V N 2.259 122.183 119.914 0.016 0.000 2.332 177 V HA -0.224 3.897 4.120 0.001 0.000 0.248 177 V C 2.726 178.869 176.094 0.081 0.000 1.055 177 V CA 2.437 64.770 62.300 0.055 0.000 1.038 177 V CB -1.039 30.840 31.823 0.094 0.000 0.651 177 V HN 1.100 nan 8.190 nan 0.000 0.450 178 D N 1.337 121.740 120.400 0.004 0.000 2.149 178 D HA -0.222 4.419 4.640 0.001 0.000 0.198 178 D C 1.627 177.913 176.300 -0.024 0.000 0.990 178 D CA 2.115 56.071 54.000 -0.075 0.000 0.839 178 D CB -0.569 39.794 40.800 -0.729 0.000 0.948 178 D HN 0.659 nan 8.370 nan 0.000 0.460 179 I N -1.989 118.522 120.570 -0.099 0.000 3.928 179 I HA 0.207 4.377 4.170 0.001 0.000 0.335 179 I C 0.791 176.929 176.117 0.035 0.000 1.325 179 I CA -0.641 60.651 61.300 -0.013 0.000 1.107 179 I CB 0.043 37.983 38.000 -0.101 0.000 1.014 179 I HN -0.076 nan 8.210 nan 0.000 0.400 180 S N 2.254 117.976 115.700 0.036 0.000 2.568 180 S HA 0.232 4.703 4.470 0.001 0.000 0.282 180 S C -1.131 173.487 174.600 0.031 0.000 1.338 180 S CA -0.665 57.553 58.200 0.030 0.000 1.045 180 S CB 0.839 64.055 63.200 0.026 0.000 0.873 180 S HN 0.007 nan 8.310 nan 0.000 0.516 181 P HA -0.184 nan 4.420 nan 0.000 0.219 181 P C 0.946 178.249 177.300 0.004 0.000 1.161 181 P CA 1.717 64.822 63.100 0.008 0.000 0.909 181 P CB -0.019 31.680 31.700 -0.001 0.000 0.793 182 D N -1.377 119.024 120.400 0.002 0.000 2.097 182 D HA -0.113 4.528 4.640 0.001 0.000 0.195 182 D C 1.847 178.139 176.300 -0.013 0.000 0.989 182 D CA 1.634 55.630 54.000 -0.008 0.000 0.827 182 D CB -0.939 39.856 40.800 -0.009 0.000 0.966 182 D HN 0.200 nan 8.370 nan 0.000 0.456 183 T N 0.997 115.556 114.554 0.007 0.000 2.684 183 T HA -0.122 4.229 4.350 0.001 0.000 0.267 183 T C 2.111 176.789 174.700 -0.037 0.000 1.036 183 T CA 0.660 62.768 62.100 0.013 0.000 1.148 183 T CB -0.439 68.499 68.868 0.116 0.000 0.863 183 T HN -0.028 nan 8.240 nan 0.000 0.436 184 V N 1.004 120.908 119.914 -0.017 0.000 3.041 184 V HA 0.098 4.219 4.120 0.001 0.000 0.260 184 V C 2.437 178.485 176.094 -0.076 0.000 1.105 184 V CA 1.580 63.835 62.300 -0.076 0.000 1.125 184 V CB -0.641 31.218 31.823 0.060 0.000 0.730 184 V HN 0.612 nan 8.190 nan 0.000 0.479 185 G N -1.114 107.661 108.800 -0.043 0.000 2.430 185 G HA2 -0.145 3.816 3.960 0.001 0.000 0.216 185 G HA3 -0.145 3.816 3.960 0.001 0.000 0.216 185 G C 1.580 176.445 174.900 -0.058 0.000 1.146 185 G CA 1.176 46.255 45.100 -0.035 0.000 0.793 185 G HN 0.476 nan 8.290 nan 0.000 0.537 186 T N 1.380 115.889 114.554 -0.075 0.000 2.857 186 T HA 0.054 4.404 4.350 0.001 0.000 0.266 186 T C 2.409 177.037 174.700 -0.119 0.000 1.048 186 T CA 0.457 62.508 62.100 -0.082 0.000 1.139 186 T CB -0.098 68.724 68.868 -0.077 0.000 0.874 186 T HN 0.111 nan 8.240 nan 0.000 0.455 187 L N 1.025 122.122 121.223 -0.210 0.000 2.056 187 L HA -0.084 4.257 4.340 0.001 0.000 0.207 187 L C 2.871 179.657 176.870 -0.140 0.000 1.078 187 L CA 1.055 55.699 54.840 -0.326 0.000 0.749 187 L CB -0.566 40.968 42.059 -0.874 0.000 0.901 187 L HN 0.281 nan 8.230 nan 0.000 0.433 188 S N 0.175 115.836 115.700 -0.064 0.000 2.370 188 S HA -0.216 4.255 4.470 0.001 0.000 0.226 188 S C 1.938 176.512 174.600 -0.043 0.000 1.033 188 S CA 1.493 59.730 58.200 0.061 0.000 1.011 188 S CB -0.214 63.012 63.200 0.043 0.000 0.852 188 S HN 0.296 nan 8.310 nan 0.000 0.457 189 L N 1.254 122.423 121.223 -0.091 0.000 2.156 189 L HA 0.255 4.596 4.340 0.001 0.000 0.208 189 L C 2.011 178.759 176.870 -0.204 0.000 1.095 189 L CA 1.373 56.117 54.840 -0.160 0.000 0.770 189 L CB -0.581 41.415 42.059 -0.104 0.000 0.914 189 L HN 0.407 nan 8.230 nan 0.000 0.439 190 I N -1.213 119.281 120.570 -0.126 0.000 2.179 190 I HA -0.316 3.855 4.170 0.001 0.000 0.242 190 I C 2.270 178.292 176.117 -0.157 0.000 1.088 190 I CA 1.113 62.347 61.300 -0.109 0.000 1.357 190 I CB -0.349 37.643 38.000 -0.014 0.000 1.051 190 I HN 0.262 nan 8.210 nan 0.000 0.409 191 M N -0.316 119.240 119.600 -0.074 0.000 2.117 191 M HA -0.182 4.298 4.480 0.001 0.000 0.262 191 M C 2.392 178.594 176.300 -0.163 0.000 1.065 191 M CA 1.675 56.946 55.300 -0.048 0.000 1.114 191 M CB -1.275 31.417 32.600 0.153 0.000 1.361 191 M HN 0.235 nan 8.290 nan 0.000 0.408 192 L N 0.643 121.725 121.223 -0.237 0.000 2.046 192 L HA -0.065 4.275 4.340 0.001 0.000 0.208 192 L C 2.538 179.114 176.870 -0.490 0.000 1.077 192 L CA 2.056 56.667 54.840 -0.381 0.000 0.747 192 L CB -1.065 40.640 42.059 -0.589 0.000 0.896 192 L HN 0.265 nan 8.230 nan 0.000 0.432 193 A N -1.306 121.164 122.820 -0.585 0.000 1.908 193 A HA -0.278 4.043 4.320 0.001 0.000 0.218 193 A C 2.204 179.488 177.584 -0.501 0.000 1.181 193 A CA 1.962 53.573 52.037 -0.710 0.000 0.627 193 A CB -0.576 17.575 19.000 -1.415 0.000 0.818 193 A HN 0.642 nan 8.150 nan 0.000 0.445 194 Q N -0.963 118.614 119.800 -0.371 0.000 2.172 194 Q HA -0.009 4.331 4.340 0.001 0.000 0.200 194 Q C 2.417 178.360 176.000 -0.095 0.000 0.964 194 Q CA 0.955 56.661 55.803 -0.162 0.000 0.855 194 Q CB -0.315 28.119 28.738 -0.507 0.000 0.918 194 Q HN 0.699 nan 8.270 nan 0.000 0.444 195 A N 0.917 123.691 122.820 -0.076 0.000 1.877 195 A HA -0.227 4.094 4.320 0.001 0.000 0.216 195 A C 2.079 179.840 177.584 0.295 0.000 1.186 195 A CA 1.174 53.332 52.037 0.201 0.000 0.620 195 A CB -0.424 18.695 19.000 0.197 0.000 0.822 195 A HN 0.216 nan 8.150 nan 0.000 0.443 196 Q N -0.518 119.408 119.800 0.210 0.000 2.061 196 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 196 Q C 2.019 178.237 176.000 0.362 0.000 0.984 196 Q CA 1.899 57.892 55.803 0.317 0.000 0.846 196 Q CB -0.445 28.477 28.738 0.306 0.000 0.902 196 Q HN 0.865 nan 8.270 nan 0.000 0.421 197 E N -0.316 120.078 120.200 0.323 0.000 2.065 197 E HA -0.193 4.158 4.350 0.001 0.000 0.201 197 E C 2.041 178.928 176.600 0.478 0.000 1.016 197 E CA 1.706 58.362 56.400 0.427 0.000 0.818 197 E CB 0.095 30.092 29.700 0.495 0.000 0.749 197 E HN 0.119 nan 8.360 nan 0.000 0.453 198 V N 0.446 120.585 119.914 0.375 0.000 2.219 198 V HA -0.294 3.827 4.120 0.001 0.000 0.248 198 V C 2.111 178.261 176.094 0.093 0.000 1.053 198 V CA 2.266 64.689 62.300 0.205 0.000 1.009 198 V CB -0.762 31.122 31.823 0.100 0.000 0.636 198 V HN 0.335 nan 8.190 nan 0.000 0.445 199 F N -0.348 119.701 119.950 0.164 0.000 2.225 199 F HA -0.273 4.255 4.527 0.003 0.000 0.302 199 F C 2.119 178.002 175.800 0.138 0.000 1.068 199 F CA 2.356 60.430 58.000 0.123 0.000 1.327 199 F CB -0.650 38.417 39.000 0.112 0.000 1.043 199 F HN 0.273 nan 8.300 nan 0.000 0.506 200 F N -0.529 119.549 119.950 0.213 0.000 2.259 200 F HA -0.084 4.444 4.527 0.001 0.000 0.298 200 F C 1.750 177.594 175.800 0.073 0.000 1.088 200 F CA 1.042 59.118 58.000 0.127 0.000 1.358 200 F CB -0.384 38.689 39.000 0.122 0.000 1.040 200 F HN -0.150 nan 8.300 nan 0.000 0.505 201 L N 1.114 122.201 121.223 -0.226 0.000 2.109 201 L HA -0.058 4.283 4.340 0.001 0.000 0.207 201 L C 2.513 179.238 176.870 -0.242 0.000 1.086 201 L CA 1.562 56.206 54.840 -0.327 0.000 0.760 201 L CB -1.265 40.799 42.059 0.008 0.000 0.910 201 L HN 0.191 nan 8.230 nan 0.000 0.437 202 K N -0.571 119.738 120.400 -0.152 0.000 2.032 202 K HA -0.200 4.120 4.320 0.001 0.000 0.209 202 K C 1.947 178.480 176.600 -0.112 0.000 1.048 202 K CA 1.578 57.788 56.287 -0.127 0.000 0.927 202 K CB -0.078 32.340 32.500 -0.137 0.000 0.712 202 K HN 0.306 nan 8.250 nan 0.000 0.441 203 A N 0.043 122.796 122.820 -0.111 0.000 2.015 203 A HA -0.087 4.234 4.320 0.001 0.000 0.219 203 A C 2.094 179.571 177.584 -0.178 0.000 1.163 203 A CA 1.847 53.826 52.037 -0.097 0.000 0.646 203 A CB -0.591 18.379 19.000 -0.050 0.000 0.806 203 A HN 0.391 nan 8.150 nan 0.000 0.448 204 T N -1.029 113.338 114.554 -0.311 0.000 2.770 204 T HA -0.072 4.279 4.350 0.001 0.000 0.258 204 T C 2.106 176.707 174.700 -0.164 0.000 1.039 204 T CA 1.287 63.204 62.100 -0.306 0.000 1.143 204 T CB -0.180 68.388 68.868 -0.500 0.000 0.866 204 T HN 0.515 nan 8.240 nan 0.000 0.428 205 R N 0.894 121.301 120.500 -0.156 0.000 2.105 205 R HA -0.123 4.217 4.340 0.001 0.000 0.239 205 R C 1.139 177.400 176.300 -0.065 0.000 1.135 205 R CA 1.687 57.732 56.100 -0.092 0.000 0.967 205 R CB -0.136 30.113 30.300 -0.086 0.000 0.861 205 R HN 0.256 nan 8.270 nan 0.000 0.442 206 D N 0.320 120.679 120.400 -0.068 0.000 2.349 206 D HA -0.001 4.640 4.640 0.001 0.000 0.224 206 D C -0.089 176.188 176.300 -0.038 0.000 1.029 206 D CA 0.407 54.381 54.000 -0.044 0.000 0.879 206 D CB 0.203 40.982 40.800 -0.034 0.000 0.906 206 D HN 0.110 nan 8.370 nan 0.000 0.528 207 K N 0.129 120.500 120.400 -0.048 0.000 3.150 207 K HA -0.189 4.131 4.320 0.001 0.000 0.267 207 K C -0.002 176.576 176.600 -0.037 0.000 1.028 207 K CA 0.324 56.590 56.287 -0.034 0.000 0.753 207 K CB -1.342 31.150 32.500 -0.013 0.000 1.288 207 K HN 0.322 nan 8.250 nan 0.000 0.473 208 M N 0.598 120.165 119.600 -0.054 0.000 2.157 208 M HA 0.103 4.584 4.480 0.001 0.000 0.304 208 M C 0.864 177.132 176.300 -0.054 0.000 1.171 208 M CA 0.245 55.518 55.300 -0.046 0.000 1.157 208 M CB 0.332 32.906 32.600 -0.043 0.000 1.403 208 M HN -0.003 nan 8.290 nan 0.000 0.473 209 K N 1.265 121.641 120.400 -0.041 0.000 2.527 209 K HA -0.095 4.226 4.320 0.001 0.000 0.278 209 K C 0.474 177.039 176.600 -0.058 0.000 0.981 209 K CA 0.046 56.309 56.287 -0.039 0.000 1.009 209 K CB 0.357 32.840 32.500 -0.029 0.000 0.895 209 K HN 0.564 nan 8.250 nan 0.000 0.493 210 D N 2.054 122.430 120.400 -0.040 0.000 2.178 210 D HA -0.183 4.458 4.640 0.001 0.000 0.201 210 D C 1.635 177.927 176.300 -0.013 0.000 0.980 210 D CA 1.283 55.268 54.000 -0.025 0.000 0.842 210 D CB 0.077 40.906 40.800 0.047 0.000 0.948 210 D HN 0.645 nan 8.370 nan 0.000 0.472 211 A N 1.155 123.966 122.820 -0.015 0.000 1.908 211 A HA -0.159 4.161 4.320 0.001 0.000 0.218 211 A C 2.320 179.902 177.584 -0.003 0.000 1.181 211 A CA 0.933 52.968 52.037 -0.005 0.000 0.627 211 A CB -0.630 18.363 19.000 -0.012 0.000 0.818 211 A HN 0.150 nan 8.150 nan 0.000 0.445 212 I N -0.421 120.140 120.570 -0.016 0.000 2.233 212 I HA -0.201 3.970 4.170 0.001 0.000 0.243 212 I C 2.252 178.370 176.117 0.002 0.000 1.093 212 I CA 1.125 62.421 61.300 -0.007 0.000 1.380 212 I CB -0.225 37.768 38.000 -0.013 0.000 1.067 212 I HN 0.294 nan 8.210 nan 0.000 0.413 213 I N 0.638 121.176 120.570 -0.054 0.000 2.315 213 I HA -0.245 3.926 4.170 0.001 0.000 0.248 213 I C 2.794 178.945 176.117 0.057 0.000 1.117 213 I CA 1.140 62.398 61.300 -0.069 0.000 1.404 213 I CB -0.545 37.202 38.000 -0.421 0.000 1.071 213 I HN 0.171 nan 8.210 nan 0.000 0.419 214 A N 1.178 124.034 122.820 0.061 0.000 1.883 214 A HA -0.228 4.093 4.320 0.001 0.000 0.217 214 A C 2.330 179.963 177.584 0.082 0.000 1.186 214 A CA 1.692 53.813 52.037 0.139 0.000 0.624 214 A CB -0.458 18.618 19.000 0.127 0.000 0.822 214 A HN 0.318 nan 8.150 nan 0.000 0.444 215 K N -0.482 119.949 120.400 0.051 0.000 2.148 215 K HA 0.031 4.352 4.320 0.001 0.000 0.204 215 K C 1.766 178.383 176.600 0.028 0.000 1.050 215 K CA 1.098 57.401 56.287 0.026 0.000 0.942 215 K CB -0.306 32.201 32.500 0.012 0.000 0.724 215 K HN 0.481 nan 8.250 nan 0.000 0.446 216 L N 0.082 121.351 121.223 0.076 0.000 2.156 216 L HA -0.104 4.237 4.340 0.001 0.000 0.208 216 L C 2.456 179.377 176.870 0.084 0.000 1.095 216 L CA 0.805 55.714 54.840 0.115 0.000 0.770 216 L CB -0.406 41.785 42.059 0.220 0.000 0.914 216 L HN 0.172 nan 8.230 nan 0.000 0.439 217 A N -0.098 122.744 122.820 0.038 0.000 1.903 217 A HA -0.152 4.168 4.320 0.001 0.000 0.213 217 A C 2.059 179.592 177.584 -0.084 0.000 1.185 217 A CA 1.299 53.243 52.037 -0.155 0.000 0.628 217 A CB -0.488 18.390 19.000 -0.204 0.000 0.830 217 A HN 0.347 nan 8.150 nan 0.000 0.446 218 N N -0.154 118.525 118.700 -0.035 0.000 2.069 218 N HA -0.223 4.518 4.740 0.001 0.000 0.191 218 N C 1.894 177.363 175.510 -0.068 0.000 1.031 218 N CA 1.939 54.967 53.050 -0.038 0.000 0.852 218 N CB -0.341 38.133 38.487 -0.020 0.000 1.018 218 N HN 0.453 nan 8.380 nan 0.000 0.423 219 Q N 0.359 120.099 119.800 -0.100 0.000 2.096 219 Q HA -0.004 4.337 4.340 0.001 0.000 0.204 219 Q C 1.837 177.678 176.000 -0.265 0.000 0.982 219 Q CA 2.115 57.777 55.803 -0.235 0.000 0.850 219 Q CB -0.806 27.805 28.738 -0.211 0.000 0.901 219 Q HN 0.406 nan 8.270 nan 0.000 0.422 220 A N 0.140 122.930 122.820 -0.050 0.000 1.902 220 A HA -0.069 4.251 4.320 0.001 0.000 0.217 220 A C 2.290 179.971 177.584 0.163 0.000 1.181 220 A CA 2.020 54.107 52.037 0.083 0.000 0.623 220 A CB -1.172 17.916 19.000 0.147 0.000 0.818 220 A HN 0.537 nan 8.150 nan 0.000 0.443 221 A N -0.201 122.694 122.820 0.126 0.000 1.898 221 A HA -0.179 4.142 4.320 0.001 0.000 0.216 221 A C 1.819 179.555 177.584 0.252 0.000 1.181 221 A CA 2.086 54.254 52.037 0.218 0.000 0.620 221 A CB -0.760 18.266 19.000 0.042 0.000 0.819 221 A HN 0.563 nan 8.150 nan 0.000 0.442 222 D N -1.641 118.791 120.400 0.054 0.000 2.092 222 D HA -0.205 4.436 4.640 0.001 0.000 0.193 222 D C 1.704 178.020 176.300 0.027 0.000 0.994 222 D CA 1.739 55.733 54.000 -0.010 0.000 0.828 222 D CB -0.272 40.414 40.800 -0.190 0.000 0.963 222 D HN 0.639 nan 8.370 nan 0.000 0.450 223 Y N -1.278 119.000 120.300 -0.037 0.000 2.224 223 Y HA -0.158 4.393 4.550 0.001 0.000 0.289 223 Y C 2.077 177.882 175.900 -0.158 0.000 1.146 223 Y CA 0.465 58.475 58.100 -0.149 0.000 1.182 223 Y CB -0.143 38.143 38.460 -0.290 0.000 0.983 223 Y HN 0.045 nan 8.280 nan 0.000 0.524 224 F N -0.874 119.167 119.950 0.153 0.000 2.293 224 F HA -0.060 4.468 4.527 0.001 0.000 0.297 224 F C 2.475 178.259 175.800 -0.026 0.000 1.089 224 F CA 0.776 58.811 58.000 0.058 0.000 1.377 224 F CB -0.716 38.306 39.000 0.037 0.000 1.051 224 F HN -0.017 nan 8.300 nan 0.000 0.511 225 G N 0.094 108.935 108.800 0.068 0.000 2.459 225 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 225 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 225 G C 1.173 176.069 174.900 -0.007 0.000 1.183 225 G CA 1.426 46.381 45.100 -0.242 0.000 0.776 225 G HN 0.207 nan 8.290 nan 0.000 0.552 226 D N 0.731 121.154 120.400 0.038 0.000 2.144 226 D HA 0.027 4.668 4.640 0.001 0.000 0.199 226 D C 2.739 179.065 176.300 0.043 0.000 0.984 226 D CA 1.206 55.232 54.000 0.044 0.000 0.834 226 D CB -0.331 40.506 40.800 0.062 0.000 0.955 226 D HN 0.329 nan 8.370 nan 0.000 0.465 227 A N -0.023 122.837 122.820 0.066 0.000 1.897 227 A HA -0.094 4.227 4.320 0.001 0.000 0.215 227 A C 2.026 179.663 177.584 0.088 0.000 1.181 227 A CA 0.676 52.748 52.037 0.058 0.000 0.620 227 A CB -0.901 18.137 19.000 0.064 0.000 0.821 227 A HN 0.242 nan 8.150 nan 0.000 0.443 228 F N 1.070 120.997 119.950 -0.040 0.000 2.069 228 F HA -0.200 4.328 4.527 0.001 0.000 0.298 228 F C 2.129 177.925 175.800 -0.007 0.000 1.113 228 F CA 2.231 60.189 58.000 -0.069 0.000 1.214 228 F CB -0.324 38.553 39.000 -0.206 0.000 0.978 228 F HN 0.128 nan 8.300 nan 0.000 0.474 229 K N -0.097 120.231 120.400 -0.121 0.000 2.009 229 K HA -0.258 4.063 4.320 0.001 0.000 0.210 229 K C 2.119 178.617 176.600 -0.170 0.000 1.049 229 K CA 2.120 58.296 56.287 -0.184 0.000 0.929 229 K CB -0.507 31.972 32.500 -0.035 0.000 0.714 229 K HN 0.432 nan 8.250 nan 0.000 0.440 230 Q N -0.066 119.682 119.800 -0.086 0.000 2.217 230 Q HA -0.226 4.115 4.340 0.001 0.000 0.209 230 Q C 2.189 178.122 176.000 -0.113 0.000 0.988 230 Q CA 1.456 57.217 55.803 -0.071 0.000 0.878 230 Q CB -0.266 28.448 28.738 -0.040 0.000 0.909 230 Q HN 0.404 nan 8.270 nan 0.000 0.424 231 C N -0.053 119.165 119.300 -0.136 0.000 2.500 231 C HA -0.044 4.416 4.460 0.001 0.000 0.273 231 C C 2.453 177.230 174.990 -0.354 0.000 1.428 231 C CA 0.153 59.074 59.018 -0.162 0.000 1.766 231 C CB -0.623 27.136 27.740 0.031 0.000 1.817 231 C HN 0.525 nan 8.230 nan 0.000 0.543 232 Q N -0.420 119.108 119.800 -0.453 0.000 2.123 232 Q HA -0.086 4.255 4.340 0.001 0.000 0.199 232 Q C -0.086 175.338 176.000 -0.960 0.000 0.966 232 Q CA 1.347 56.691 55.803 -0.764 0.000 0.845 232 Q CB 0.128 28.334 28.738 -0.886 0.000 0.907 232 Q HN 0.776 nan 8.270 nan 0.000 0.439 233 Y N 0.614 120.808 120.300 -0.176 0.000 2.602 233 Y HA 0.396 4.947 4.550 0.002 0.000 0.373 233 Y C -1.077 174.748 175.900 -0.125 0.000 0.960 233 Y CA -0.594 57.422 58.100 -0.140 0.000 1.281 233 Y CB 0.530 38.936 38.460 -0.091 0.000 1.308 233 Y HN -0.208 nan 8.280 nan 0.000 0.595 234 K N 0.525 120.866 120.400 -0.099 0.000 2.589 234 K HA 0.096 4.417 4.320 0.001 0.000 0.298 234 K C -1.976 174.529 176.600 -0.160 0.000 1.136 234 K CA -0.551 55.685 56.287 -0.085 0.000 1.020 234 K CB 1.560 34.022 32.500 -0.062 0.000 1.345 234 K HN 0.056 nan 8.250 nan 0.000 0.478 235 D N 2.822 123.137 120.400 -0.142 0.000 2.524 235 D HA 0.099 4.740 4.640 0.001 0.000 0.222 235 D C 0.429 176.670 176.300 -0.100 0.000 1.142 235 D CA -0.057 53.841 54.000 -0.171 0.000 0.973 235 D CB 0.602 41.302 40.800 -0.167 0.000 1.025 235 D HN 0.560 nan 8.370 nan 0.000 0.519 236 T N -0.290 114.194 114.554 -0.117 0.000 3.040 236 T HA 0.285 4.636 4.350 0.001 0.000 0.266 236 T C 0.868 175.443 174.700 -0.208 0.000 1.005 236 T CA -0.265 61.789 62.100 -0.076 0.000 0.906 236 T CB 0.091 68.944 68.868 -0.026 0.000 1.082 236 T HN 0.137 nan 8.240 nan 0.000 0.531 237 L N 1.008 122.045 121.223 -0.309 0.000 2.313 237 L HA 0.619 4.959 4.340 0.001 0.000 0.268 237 L C -2.537 174.124 176.870 -0.348 0.000 1.010 237 L CA -3.067 51.435 54.840 -0.564 0.000 0.814 237 L CB 0.944 42.743 42.059 -0.434 0.000 1.304 237 L HN -0.205 nan 8.230 nan 0.000 0.441 238 P HA -0.026 nan 4.420 nan 0.000 0.266 238 P C -0.084 177.187 177.300 -0.047 0.000 1.193 238 P CA -0.123 62.921 63.100 -0.093 0.000 0.770 238 P CB 0.360 32.053 31.700 -0.011 0.000 0.836 239 K N 1.383 121.790 120.400 0.013 0.000 2.286 239 K HA -0.206 4.115 4.320 0.001 0.000 0.203 239 K C 0.870 177.505 176.600 0.059 0.000 1.045 239 K CA 1.662 57.973 56.287 0.040 0.000 0.935 239 K CB -0.318 32.224 32.500 0.071 0.000 0.737 239 K HN 0.288 nan 8.250 nan 0.000 0.460 240 E N 0.904 121.136 120.200 0.053 0.000 2.385 240 E HA -0.001 4.350 4.350 0.001 0.000 0.194 240 E C 1.815 178.350 176.600 -0.108 0.000 1.013 240 E CA 0.230 56.632 56.400 0.003 0.000 0.866 240 E CB 0.108 29.896 29.700 0.146 0.000 0.832 240 E HN 0.063 nan 8.360 nan 0.000 0.500 241 V N 0.713 120.601 119.914 -0.042 0.000 2.332 241 V HA -0.257 3.864 4.120 0.001 0.000 0.248 241 V C 1.853 177.929 176.094 -0.030 0.000 1.055 241 V CA 1.687 63.961 62.300 -0.044 0.000 1.038 241 V CB -0.443 31.351 31.823 -0.048 0.000 0.651 241 V HN 0.265 nan 8.190 nan 0.000 0.450 242 F N 2.176 122.031 119.950 -0.158 0.000 2.031 242 F HA -0.048 4.480 4.527 0.001 0.000 0.295 242 F C 0.176 175.875 175.800 -0.168 0.000 1.133 242 F CA 1.814 59.752 58.000 -0.104 0.000 1.188 242 F CB -1.736 37.217 39.000 -0.078 0.000 0.974 242 F HN 0.206 nan 8.300 nan 0.000 0.473 243 P HA -0.165 nan 4.420 nan 0.000 0.215 243 P C 2.084 178.836 177.300 -0.912 0.000 1.157 243 P CA 2.057 64.740 63.100 -0.696 0.000 0.874 243 P CB -0.300 30.986 31.700 -0.690 0.000 0.790 244 V N 0.115 119.598 119.914 -0.720 0.000 2.392 244 V HA -0.219 3.901 4.120 0.001 0.000 0.249 244 V C 2.807 178.601 176.094 -0.501 0.000 1.059 244 V CA 1.554 63.526 62.300 -0.547 0.000 1.051 244 V CB -1.297 30.323 31.823 -0.338 0.000 0.658 244 V HN 0.011 nan 8.190 nan 0.000 0.455 245 L N 0.023 121.022 121.223 -0.374 0.000 2.083 245 L HA -0.133 4.208 4.340 0.001 0.000 0.209 245 L C 2.725 179.304 176.870 -0.486 0.000 1.083 245 L CA 1.479 56.155 54.840 -0.273 0.000 0.752 245 L CB -0.812 41.256 42.059 0.015 0.000 0.899 245 L HN 0.342 nan 8.230 nan 0.000 0.433 246 A N 0.180 122.558 122.820 -0.736 0.000 1.858 246 A HA -0.184 4.137 4.320 0.001 0.000 0.216 246 A C 2.560 179.693 177.584 -0.752 0.000 1.190 246 A CA 1.838 53.283 52.037 -0.986 0.000 0.617 246 A CB -0.867 17.432 19.000 -1.169 0.000 0.827 246 A HN 0.377 nan 8.150 nan 0.000 0.443 247 A N -0.250 122.024 122.820 -0.911 0.000 1.883 247 A HA -0.194 4.126 4.320 0.001 0.000 0.217 247 A C 2.127 179.442 177.584 -0.448 0.000 1.186 247 A CA 1.949 53.658 52.037 -0.546 0.000 0.624 247 A CB -0.489 18.242 19.000 -0.448 0.000 0.822 247 A HN 0.556 nan 8.150 nan 0.000 0.444 248 K N -1.548 118.489 120.400 -0.604 0.000 2.057 248 K HA -0.188 4.132 4.320 0.001 0.000 0.207 248 K C 2.082 178.294 176.600 -0.647 0.000 1.049 248 K CA 1.506 57.314 56.287 -0.797 0.000 0.931 248 K CB -0.359 31.289 32.500 -1.421 0.000 0.714 248 K HN 0.711 nan 8.250 nan 0.000 0.440 249 H N 0.906 119.636 119.070 -0.567 0.000 2.265 249 H HA -0.178 4.379 4.556 0.001 0.000 0.295 249 H C 1.966 177.157 175.328 -0.228 0.000 1.084 249 H CA 2.100 57.989 56.048 -0.265 0.000 1.261 249 H CB -0.625 28.974 29.762 -0.271 0.000 1.360 249 H HN 0.186 nan 8.280 nan 0.000 0.487 250 C N 0.167 119.249 119.300 -0.363 0.000 2.413 250 C HA -0.118 4.343 4.460 0.001 0.000 0.276 250 C C 3.064 177.902 174.990 -0.254 0.000 1.236 250 C CA 1.148 59.962 59.018 -0.340 0.000 1.735 250 C CB -1.177 26.449 27.740 -0.191 0.000 2.031 250 C HN 0.605 nan 8.230 nan 0.000 0.474 251 I N 0.277 120.718 120.570 -0.216 0.000 2.208 251 I HA -0.271 3.899 4.170 0.001 0.000 0.245 251 I C 2.600 178.610 176.117 -0.179 0.000 1.097 251 I CA 1.450 62.666 61.300 -0.139 0.000 1.363 251 I CB -0.456 37.437 38.000 -0.179 0.000 1.051 251 I HN 0.307 nan 8.210 nan 0.000 0.413 252 M N -0.136 119.313 119.600 -0.251 0.000 2.117 252 M HA -0.212 4.268 4.480 0.001 0.000 0.262 252 M C 2.299 178.481 176.300 -0.196 0.000 1.065 252 M CA 1.743 56.899 55.300 -0.240 0.000 1.114 252 M CB -1.174 31.353 32.600 -0.123 0.000 1.361 252 M HN 0.322 nan 8.290 nan 0.000 0.408 253 Q N -0.401 119.253 119.800 -0.244 0.000 2.096 253 Q HA -0.124 4.217 4.340 0.001 0.000 0.204 253 Q C 2.172 178.074 176.000 -0.164 0.000 0.982 253 Q CA 1.819 57.484 55.803 -0.229 0.000 0.850 253 Q CB -0.200 28.329 28.738 -0.347 0.000 0.901 253 Q HN 0.577 nan 8.270 nan 0.000 0.422 254 A N 1.203 123.952 122.820 -0.119 0.000 1.897 254 A HA -0.172 4.149 4.320 0.001 0.000 0.215 254 A C 1.799 179.529 177.584 0.244 0.000 1.181 254 A CA 1.186 53.222 52.037 -0.000 0.000 0.620 254 A CB -0.475 18.560 19.000 0.058 0.000 0.821 254 A HN 0.303 nan 8.150 nan 0.000 0.443 255 N N 0.492 119.321 118.700 0.215 0.000 2.104 255 N HA -0.175 4.566 4.740 0.001 0.000 0.190 255 N C 1.934 177.575 175.510 0.219 0.000 1.024 255 N CA 1.530 54.688 53.050 0.180 0.000 0.853 255 N CB -0.378 38.009 38.487 -0.167 0.000 1.008 255 N HN 0.472 nan 8.380 nan 0.000 0.424 256 A N 1.480 124.348 122.820 0.081 0.000 1.933 256 A HA -0.127 4.194 4.320 0.001 0.000 0.218 256 A C 2.069 179.722 177.584 0.116 0.000 1.175 256 A CA 1.201 53.297 52.037 0.100 0.000 0.628 256 A CB -0.202 18.809 19.000 0.018 0.000 0.814 256 A HN 0.227 nan 8.150 nan 0.000 0.444 257 E N -1.577 118.673 120.200 0.083 0.000 2.112 257 E HA -0.121 4.229 4.350 0.001 0.000 0.190 257 E C 1.824 178.477 176.600 0.089 0.000 0.979 257 E CA 1.036 57.476 56.400 0.067 0.000 0.814 257 E CB -0.384 29.322 29.700 0.011 0.000 0.762 257 E HN 0.790 nan 8.360 nan 0.000 0.460 258 Y N 1.975 122.272 120.300 -0.004 0.000 2.181 258 Y HA -0.218 4.333 4.550 0.002 0.000 0.288 258 Y C 2.253 178.083 175.900 -0.117 0.000 1.146 258 Y CA 1.732 59.794 58.100 -0.062 0.000 1.164 258 Y CB -0.328 38.128 38.460 -0.008 0.000 0.982 258 Y HN 0.117 nan 8.280 nan 0.000 0.515 259 H N -0.771 118.282 119.070 -0.029 0.000 2.423 259 H HA -0.127 4.430 4.556 0.001 0.000 0.297 259 H C 1.999 177.272 175.328 -0.092 0.000 1.075 259 H CA 1.698 57.683 56.048 -0.105 0.000 1.342 259 H CB -0.289 29.499 29.762 0.043 0.000 1.395 259 H HN 0.391 nan 8.280 nan 0.000 0.530 260 Q N 1.136 120.969 119.800 0.055 0.000 2.311 260 Q HA -0.080 4.261 4.340 0.001 0.000 0.203 260 Q C 2.385 178.376 176.000 -0.015 0.000 0.954 260 Q CA 1.239 57.061 55.803 0.032 0.000 0.885 260 Q CB 0.045 28.811 28.738 0.046 0.000 0.963 260 Q HN 0.395 nan 8.270 nan 0.000 0.471 261 S N -0.975 114.692 115.700 -0.054 0.000 2.414 261 S HA -0.054 4.417 4.470 0.001 0.000 0.227 261 S C 1.869 176.403 174.600 -0.110 0.000 1.022 261 S CA 0.743 58.907 58.200 -0.061 0.000 0.958 261 S CB -0.373 62.809 63.200 -0.031 0.000 0.797 261 S HN 0.441 nan 8.310 nan 0.000 0.493 262 I N 0.730 121.187 120.570 -0.188 0.000 2.394 262 I HA -0.078 4.093 4.170 0.001 0.000 0.251 262 I C 2.376 178.415 176.117 -0.130 0.000 1.136 262 I CA 0.687 61.888 61.300 -0.164 0.000 1.425 262 I CB -0.265 37.622 38.000 -0.188 0.000 1.079 262 I HN 0.278 nan 8.210 nan 0.000 0.425 263 L N 0.652 121.813 121.223 -0.102 0.000 2.027 263 L HA -0.115 4.226 4.340 0.001 0.000 0.206 263 L C 2.605 179.374 176.870 -0.168 0.000 1.074 263 L CA 2.016 56.791 54.840 -0.108 0.000 0.745 263 L CB -0.718 41.309 42.059 -0.053 0.000 0.898 263 L HN 0.198 nan 8.230 nan 0.000 0.433 264 A N -0.607 122.141 122.820 -0.120 0.000 1.908 264 A HA -0.299 4.022 4.320 0.001 0.000 0.218 264 A C 2.420 179.777 177.584 -0.379 0.000 1.181 264 A CA 2.098 54.049 52.037 -0.143 0.000 0.627 264 A CB -0.662 18.351 19.000 0.021 0.000 0.818 264 A HN 0.469 nan 8.150 nan 0.000 0.445 265 K N -0.493 119.732 120.400 -0.293 0.000 2.044 265 K HA -0.272 4.048 4.320 0.001 0.000 0.210 265 K C 2.152 178.461 176.600 -0.484 0.000 1.049 265 K CA 1.998 58.085 56.287 -0.332 0.000 0.927 265 K CB -0.256 32.194 32.500 -0.083 0.000 0.713 265 K HN 0.580 nan 8.250 nan 0.000 0.443 266 Q N 0.030 119.584 119.800 -0.409 0.000 2.234 266 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 266 Q C 1.390 176.887 176.000 -0.838 0.000 0.980 266 Q CA 1.586 57.088 55.803 -0.502 0.000 0.869 266 Q CB 0.174 28.730 28.738 -0.303 0.000 0.912 266 Q HN 0.438 nan 8.270 nan 0.000 0.436 267 Q N -1.263 118.019 119.800 -0.864 0.000 2.280 267 Q HA 0.052 4.393 4.340 0.001 0.000 0.201 267 Q C -0.863 174.390 176.000 -1.245 0.000 0.890 267 Q CA -0.190 54.979 55.803 -1.056 0.000 0.947 267 Q CB 0.539 28.664 28.738 -1.021 0.000 1.081 267 Q HN 0.366 nan 8.270 nan 0.000 0.502 268 Y N -2.631 117.124 120.300 -0.908 0.000 3.929 268 Y HA -0.280 4.271 4.550 0.001 0.000 0.225 268 Y C -0.884 174.379 175.900 -1.061 0.000 1.200 268 Y CA -0.162 57.206 58.100 -1.218 0.000 1.791 268 Y CB -2.695 35.391 38.460 -0.624 0.000 1.561 268 Y HN 0.202 nan 8.280 nan 0.000 0.657 269 Y N -0.474 119.461 120.300 -0.608 0.000 2.714 269 Y HA 0.335 4.886 4.550 0.001 0.000 0.333 269 Y C 0.936 176.618 175.900 -0.363 0.000 1.220 269 Y CA -1.773 56.114 58.100 -0.355 0.000 1.513 269 Y CB -0.944 37.398 38.460 -0.196 0.000 1.435 269 Y HN 0.161 nan 8.280 nan 0.000 0.489 270 F N 0.023 120.015 119.950 0.071 0.000 2.206 270 F HA -0.021 4.506 4.527 0.001 0.000 0.298 270 F C 2.349 178.185 175.800 0.060 0.000 1.090 270 F CA 1.160 59.172 58.000 0.021 0.000 1.323 270 F CB -0.426 38.548 39.000 -0.044 0.000 1.028 270 F HN 0.574 nan 8.300 nan 0.000 0.492 271 G N -0.375 108.557 108.800 0.221 0.000 2.440 271 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 271 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 271 G C 1.537 176.495 174.900 0.098 0.000 1.154 271 G CA 0.925 46.109 45.100 0.141 0.000 0.767 271 G HN 0.365 nan 8.290 nan 0.000 0.552 272 E N 0.182 120.431 120.200 0.082 0.000 2.058 272 E HA -0.185 4.166 4.350 0.001 0.000 0.194 272 E C 2.296 178.934 176.600 0.065 0.000 0.997 272 E CA 1.215 57.648 56.400 0.056 0.000 0.801 272 E CB -0.210 29.520 29.700 0.051 0.000 0.746 272 E HN 0.624 nan 8.360 nan 0.000 0.450 273 E N 0.352 120.596 120.200 0.073 0.000 2.070 273 E HA -0.223 4.128 4.350 0.001 0.000 0.197 273 E C 2.212 178.862 176.600 0.083 0.000 1.004 273 E CA 1.367 57.807 56.400 0.067 0.000 0.805 273 E CB -0.142 29.610 29.700 0.087 0.000 0.744 273 E HN 0.321 nan 8.360 nan 0.000 0.451 274 I N 0.872 121.503 120.570 0.103 0.000 2.226 274 I HA -0.256 3.915 4.170 0.001 0.000 0.245 274 I C 2.602 178.761 176.117 0.069 0.000 1.100 274 I CA 1.067 62.420 61.300 0.088 0.000 1.374 274 I CB -0.303 37.753 38.000 0.094 0.000 1.057 274 I HN 0.168 nan 8.210 nan 0.000 0.413 275 A N 0.734 123.592 122.820 0.064 0.000 1.933 275 A HA -0.200 4.120 4.320 0.001 0.000 0.218 275 A C 2.396 180.025 177.584 0.074 0.000 1.175 275 A CA 1.543 53.612 52.037 0.053 0.000 0.628 275 A CB -0.504 18.518 19.000 0.036 0.000 0.814 275 A HN 0.338 nan 8.150 nan 0.000 0.444 276 R N -0.774 119.772 120.500 0.077 0.000 2.075 276 R HA 0.118 4.458 4.340 0.001 0.000 0.226 276 R C 2.060 178.413 176.300 0.089 0.000 1.114 276 R CA 1.014 57.172 56.100 0.097 0.000 0.972 276 R CB -0.475 29.869 30.300 0.074 0.000 0.869 276 R HN 0.470 nan 8.270 nan 0.000 0.437 277 L N 1.004 122.272 121.223 0.075 0.000 2.043 277 L HA -0.266 4.075 4.340 0.001 0.000 0.212 277 L C 2.538 179.429 176.870 0.034 0.000 1.075 277 L CA 1.618 56.495 54.840 0.061 0.000 0.752 277 L CB -0.411 41.691 42.059 0.072 0.000 0.891 277 L HN 0.286 nan 8.230 nan 0.000 0.432 278 Q N -1.384 118.449 119.800 0.054 0.000 2.079 278 Q HA -0.241 4.100 4.340 0.001 0.000 0.200 278 Q C 2.153 178.202 176.000 0.082 0.000 0.974 278 Q CA 1.507 57.338 55.803 0.046 0.000 0.840 278 Q CB -0.212 28.551 28.738 0.042 0.000 0.898 278 Q HN 0.589 nan 8.270 nan 0.000 0.430 279 H N -0.207 118.852 119.070 -0.018 0.000 2.319 279 H HA -0.147 4.410 4.556 0.002 0.000 0.299 279 H C 1.982 177.284 175.328 -0.042 0.000 1.092 279 H CA 1.018 57.050 56.048 -0.026 0.000 1.302 279 H CB 0.165 29.918 29.762 -0.016 0.000 1.373 279 H HN 0.310 nan 8.280 nan 0.000 0.497 280 A N 1.159 123.919 122.820 -0.099 0.000 1.917 280 A HA -0.211 4.109 4.320 0.001 0.000 0.219 280 A C 2.607 180.074 177.584 -0.195 0.000 1.182 280 A CA 1.823 53.747 52.037 -0.189 0.000 0.633 280 A CB -1.113 17.796 19.000 -0.152 0.000 0.819 280 A HN 0.630 nan 8.150 nan 0.000 0.448 281 A N -0.768 121.972 122.820 -0.134 0.000 1.902 281 A HA -0.163 4.158 4.320 0.001 0.000 0.217 281 A C 2.014 179.538 177.584 -0.100 0.000 1.181 281 A CA 1.739 53.693 52.037 -0.139 0.000 0.623 281 A CB -0.497 18.449 19.000 -0.091 0.000 0.818 281 A HN 0.666 nan 8.150 nan 0.000 0.443 282 E N -0.140 120.031 120.200 -0.048 0.000 2.007 282 E HA -0.184 4.167 4.350 0.001 0.000 0.194 282 E C 1.959 178.536 176.600 -0.039 0.000 0.999 282 E CA 1.355 57.745 56.400 -0.016 0.000 0.811 282 E CB -0.289 29.446 29.700 0.059 0.000 0.762 282 E HN 0.588 nan 8.360 nan 0.000 0.450 283 L N 0.865 122.051 121.223 -0.060 0.000 2.064 283 L HA -0.283 4.057 4.340 0.001 0.000 0.216 283 L C 2.470 179.291 176.870 -0.083 0.000 1.077 283 L CA 0.928 55.711 54.840 -0.094 0.000 0.766 283 L CB -0.502 41.446 42.059 -0.185 0.000 0.890 283 L HN 0.333 nan 8.230 nan 0.000 0.435 284 I N -0.645 119.860 120.570 -0.109 0.000 2.480 284 I HA -0.181 3.990 4.170 0.001 0.000 0.251 284 I C 2.496 178.569 176.117 -0.072 0.000 1.124 284 I CA 1.121 62.365 61.300 -0.094 0.000 1.444 284 I CB -0.921 36.971 38.000 -0.179 0.000 1.098 284 I HN 0.287 nan 8.210 nan 0.000 0.428 285 K N 0.724 121.075 120.400 -0.080 0.000 2.020 285 K HA -0.211 4.110 4.320 0.001 0.000 0.212 285 K C 2.081 178.647 176.600 -0.057 0.000 1.050 285 K CA 2.350 58.599 56.287 -0.063 0.000 0.929 285 K CB 0.012 32.477 32.500 -0.057 0.000 0.714 285 K HN 0.255 nan 8.250 nan 0.000 0.443 286 T N 0.688 115.209 114.554 -0.054 0.000 2.701 286 T HA -0.117 4.234 4.350 0.001 0.000 0.263 286 T C 1.925 176.578 174.700 -0.078 0.000 1.040 286 T CA 1.381 63.440 62.100 -0.068 0.000 1.147 286 T CB -0.257 68.581 68.868 -0.051 0.000 0.865 286 T HN -0.022 nan 8.240 nan 0.000 0.426 287 V N 2.001 121.907 119.914 -0.013 0.000 2.250 287 V HA -0.284 3.837 4.120 0.001 0.000 0.250 287 V C 2.913 179.025 176.094 0.030 0.000 1.060 287 V CA 2.019 64.364 62.300 0.076 0.000 1.030 287 V CB -1.301 30.569 31.823 0.078 0.000 0.643 287 V HN 0.575 nan 8.190 nan 0.000 0.445 288 A N 0.369 123.186 122.820 -0.005 0.000 1.940 288 A HA -0.224 4.097 4.320 0.001 0.000 0.219 288 A C 2.461 180.024 177.584 -0.035 0.000 1.176 288 A CA 2.583 54.614 52.037 -0.010 0.000 0.631 288 A CB -0.637 18.350 19.000 -0.023 0.000 0.814 288 A HN 0.734 nan 8.150 nan 0.000 0.446 289 S N -1.238 114.419 115.700 -0.072 0.000 2.458 289 S HA 0.012 4.482 4.470 0.001 0.000 0.223 289 S C 1.872 176.388 174.600 -0.139 0.000 1.019 289 S CA 0.815 58.962 58.200 -0.088 0.000 0.937 289 S CB -0.167 62.985 63.200 -0.079 0.000 0.788 289 S HN 0.648 nan 8.310 nan 0.000 0.511 290 R N -0.151 120.193 120.500 -0.259 0.000 2.206 290 R HA 0.218 4.559 4.340 0.001 0.000 0.198 290 R C 0.205 176.205 176.300 -0.499 0.000 0.986 290 R CA 0.371 56.188 56.100 -0.472 0.000 1.029 290 R CB 0.209 30.051 30.300 -0.763 0.000 0.966 290 R HN 0.552 nan 8.270 nan 0.000 0.487 291 Y N 1.074 121.398 120.300 0.041 0.000 2.716 291 Y HA 0.168 4.719 4.550 0.001 0.000 0.260 291 Y C 0.733 176.693 175.900 0.100 0.000 1.141 291 Y CA -0.868 57.309 58.100 0.127 0.000 1.168 291 Y CB 0.611 39.114 38.460 0.072 0.000 1.189 291 Y HN 0.105 nan 8.280 nan 0.000 0.549 292 D N 0.869 121.330 120.400 0.102 0.000 2.154 292 D HA -0.290 4.350 4.640 0.001 0.000 0.190 292 D C 1.260 177.555 176.300 -0.008 0.000 1.003 292 D CA 1.840 55.860 54.000 0.033 0.000 0.849 292 D CB -0.313 40.480 40.800 -0.012 0.000 0.942 292 D HN 0.478 nan 8.370 nan 0.000 0.446 293 E N 0.148 120.290 120.200 -0.098 0.000 2.136 293 E HA -0.239 4.112 4.350 0.001 0.000 0.208 293 E C 1.899 178.312 176.600 -0.312 0.000 1.035 293 E CA 1.743 57.947 56.400 -0.328 0.000 0.838 293 E CB -0.390 28.877 29.700 -0.723 0.000 0.748 293 E HN 0.597 nan 8.360 nan 0.000 0.459 294 Y N -0.937 119.387 120.300 0.040 0.000 2.444 294 Y HA 0.171 4.722 4.550 0.002 0.000 0.249 294 Y C 0.641 176.525 175.900 -0.026 0.000 1.134 294 Y CA -0.475 57.628 58.100 0.005 0.000 1.261 294 Y CB 0.911 39.361 38.460 -0.016 0.000 1.143 294 Y HN -0.115 nan 8.280 nan 0.000 0.523 295 V N -2.463 117.518 119.914 0.111 0.000 3.078 295 V HA 0.577 4.698 4.120 0.001 0.000 0.311 295 V C -1.187 174.924 176.094 0.029 0.000 1.138 295 V CA -1.112 61.214 62.300 0.044 0.000 1.007 295 V CB 2.437 34.275 31.823 0.026 0.000 1.045 295 V HN 0.052 nan 8.190 nan 0.000 0.432 296 N N 1.288 119.998 118.700 0.017 0.000 2.354 296 N HA 0.597 5.337 4.740 0.001 0.000 0.287 296 N C -0.759 174.769 175.510 0.030 0.000 1.016 296 N CA -0.197 52.866 53.050 0.021 0.000 0.871 296 N CB 2.202 40.702 38.487 0.020 0.000 1.299 296 N HN 0.677 nan 8.380 nan 0.000 0.482 297 V N 3.800 123.738 119.914 0.040 0.000 3.337 297 V HA 0.112 4.233 4.120 0.001 0.000 0.307 297 V C 1.676 177.814 176.094 0.073 0.000 1.505 297 V CA 0.050 62.394 62.300 0.073 0.000 1.072 297 V CB 0.186 32.049 31.823 0.066 0.000 0.929 297 V HN 0.554 nan 8.190 nan 0.000 0.455 298 K N 1.176 121.601 120.400 0.041 0.000 1.991 298 K HA -0.177 4.144 4.320 0.001 0.000 0.212 298 K C 1.650 178.268 176.600 0.031 0.000 1.049 298 K CA 2.555 58.855 56.287 0.022 0.000 0.932 298 K CB -0.220 32.288 32.500 0.014 0.000 0.717 298 K HN 0.468 nan 8.250 nan 0.000 0.441 299 D N -0.231 120.201 120.400 0.053 0.000 2.106 299 D HA -0.204 4.437 4.640 0.001 0.000 0.191 299 D C 1.822 178.179 176.300 0.095 0.000 0.997 299 D CA 1.094 55.129 54.000 0.059 0.000 0.834 299 D CB -0.466 40.370 40.800 0.060 0.000 0.956 299 D HN 0.160 nan 8.370 nan 0.000 0.448 300 F N 1.633 121.535 119.950 -0.080 0.000 2.091 300 F HA -0.242 4.286 4.527 0.001 0.000 0.299 300 F C 2.643 178.341 175.800 -0.169 0.000 1.103 300 F CA 1.413 59.329 58.000 -0.140 0.000 1.228 300 F CB -0.806 38.125 39.000 -0.115 0.000 0.984 300 F HN -0.106 nan 8.300 nan 0.000 0.477 301 S N -0.303 115.308 115.700 -0.148 0.000 2.355 301 S HA -0.171 4.299 4.470 0.001 0.000 0.222 301 S C 1.864 176.350 174.600 -0.189 0.000 1.031 301 S CA 1.581 59.636 58.200 -0.243 0.000 0.993 301 S CB -0.517 62.606 63.200 -0.128 0.000 0.859 301 S HN 0.413 nan 8.310 nan 0.000 0.453 302 D N 1.306 121.645 120.400 -0.101 0.000 2.104 302 D HA -0.119 4.522 4.640 0.001 0.000 0.194 302 D C 1.978 178.226 176.300 -0.086 0.000 0.994 302 D CA 1.178 55.136 54.000 -0.070 0.000 0.830 302 D CB -0.376 40.407 40.800 -0.029 0.000 0.959 302 D HN 0.495 nan 8.370 nan 0.000 0.452 303 K N 0.588 120.927 120.400 -0.102 0.000 2.026 303 K HA -0.127 4.193 4.320 0.001 0.000 0.208 303 K C 2.306 178.774 176.600 -0.220 0.000 1.048 303 K CA 0.803 57.018 56.287 -0.119 0.000 0.929 303 K CB -0.295 32.150 32.500 -0.091 0.000 0.713 303 K HN 0.093 nan 8.250 nan 0.000 0.439 304 I N 2.092 122.408 120.570 -0.424 0.000 2.113 304 I HA -0.381 3.790 4.170 0.001 0.000 0.242 304 I C 1.992 178.016 176.117 -0.155 0.000 1.064 304 I CA 1.582 62.659 61.300 -0.371 0.000 1.320 304 I CB -0.546 37.129 38.000 -0.542 0.000 1.028 304 I HN 0.257 nan 8.210 nan 0.000 0.406 305 N N 0.660 119.275 118.700 -0.142 0.000 2.149 305 N HA -0.166 4.574 4.740 0.001 0.000 0.188 305 N C 1.912 177.406 175.510 -0.026 0.000 1.019 305 N CA 1.258 54.265 53.050 -0.071 0.000 0.857 305 N CB -0.401 38.047 38.487 -0.065 0.000 0.997 305 N HN 0.347 nan 8.380 nan 0.000 0.426 306 R N 0.563 121.052 120.500 -0.020 0.000 2.073 306 R HA 0.013 4.354 4.340 0.001 0.000 0.234 306 R C 2.186 178.513 176.300 0.045 0.000 1.134 306 R CA 1.416 57.525 56.100 0.015 0.000 0.952 306 R CB -0.361 29.951 30.300 0.020 0.000 0.850 306 R HN 0.214 nan 8.270 nan 0.000 0.433 307 A N 0.854 123.715 122.820 0.068 0.000 1.972 307 A HA -0.160 4.161 4.320 0.001 0.000 0.219 307 A C 2.009 179.647 177.584 0.090 0.000 1.169 307 A CA 1.120 53.227 52.037 0.117 0.000 0.635 307 A CB -0.367 18.770 19.000 0.228 0.000 0.810 307 A HN 0.260 nan 8.150 nan 0.000 0.446 308 L N -0.700 120.557 121.223 0.055 0.000 2.095 308 L HA 0.140 4.480 4.340 0.001 0.000 0.204 308 L C 2.583 179.480 176.870 0.046 0.000 1.080 308 L CA 1.938 56.807 54.840 0.047 0.000 0.759 308 L CB -0.813 41.256 42.059 0.017 0.000 0.914 308 L HN 0.295 nan 8.230 nan 0.000 0.439 309 A N -0.201 122.641 122.820 0.037 0.000 1.873 309 A HA -0.051 4.269 4.320 0.001 0.000 0.215 309 A C 2.465 180.081 177.584 0.054 0.000 1.186 309 A CA 1.747 53.807 52.037 0.038 0.000 0.616 309 A CB -1.260 17.758 19.000 0.030 0.000 0.823 309 A HN 0.541 nan 8.150 nan 0.000 0.442 310 A N -0.094 122.761 122.820 0.060 0.000 1.908 310 A HA 0.080 4.401 4.320 0.001 0.000 0.218 310 A C 2.504 180.138 177.584 0.084 0.000 1.181 310 A CA 2.405 54.483 52.037 0.070 0.000 0.627 310 A CB -1.038 18.006 19.000 0.073 0.000 0.818 310 A HN 1.087 nan 8.150 nan 0.000 0.445 311 A N -0.678 122.199 122.820 0.096 0.000 1.898 311 A HA -0.114 4.207 4.320 0.001 0.000 0.216 311 A C 2.136 179.778 177.584 0.097 0.000 1.181 311 A CA 1.654 53.764 52.037 0.122 0.000 0.620 311 A CB -0.396 18.691 19.000 0.144 0.000 0.819 311 A HN 0.482 nan 8.150 nan 0.000 0.442 312 K N -0.269 120.174 120.400 0.071 0.000 2.097 312 K HA -0.174 4.147 4.320 0.001 0.000 0.206 312 K C 2.180 178.793 176.600 0.022 0.000 1.049 312 K CA 1.579 57.891 56.287 0.041 0.000 0.933 312 K CB -0.153 32.363 32.500 0.028 0.000 0.717 312 K HN 0.541 nan 8.250 nan 0.000 0.442 313 K N 1.274 121.709 120.400 0.058 0.000 1.978 313 K HA -0.199 4.122 4.320 0.001 0.000 0.214 313 K C 1.589 178.252 176.600 0.104 0.000 1.049 313 K CA 2.090 58.451 56.287 0.124 0.000 0.939 313 K CB -0.114 32.465 32.500 0.132 0.000 0.721 313 K HN -0.059 nan 8.250 nan 0.000 0.441 314 D N 0.225 120.649 120.400 0.040 0.000 2.203 314 D HA -0.180 4.461 4.640 0.001 0.000 0.199 314 D C 1.652 177.867 176.300 -0.142 0.000 0.997 314 D CA 1.188 55.148 54.000 -0.067 0.000 0.863 314 D CB -0.280 40.529 40.800 0.015 0.000 0.928 314 D HN 0.308 nan 8.370 nan 0.000 0.458 315 N N 0.040 118.716 118.700 -0.041 0.000 2.197 315 N HA -0.093 4.648 4.740 0.001 0.000 0.184 315 N C 1.120 176.524 175.510 -0.177 0.000 1.030 315 N CA 1.007 54.031 53.050 -0.044 0.000 0.851 315 N CB 0.123 38.644 38.487 0.057 0.000 1.003 315 N HN -0.097 nan 8.380 nan 0.000 0.430 316 D N -0.586 119.718 120.400 -0.161 0.000 2.117 316 D HA -0.114 4.527 4.640 0.001 0.000 0.197 316 D C 1.444 177.533 176.300 -0.352 0.000 0.987 316 D CA 1.033 54.884 54.000 -0.249 0.000 0.829 316 D CB -0.222 40.338 40.800 -0.400 0.000 0.961 316 D HN 0.299 nan 8.370 nan 0.000 0.460 317 F N 0.175 120.018 119.950 -0.178 0.000 2.164 317 F HA 0.140 4.667 4.527 0.001 0.000 0.287 317 F C 2.340 177.875 175.800 -0.442 0.000 1.086 317 F CA 0.441 58.333 58.000 -0.180 0.000 1.249 317 F CB -0.383 38.535 39.000 -0.136 0.000 1.059 317 F HN -0.125 nan 8.300 nan 0.000 0.490 318 I N -1.902 118.427 120.570 -0.402 0.000 2.731 318 I HA -0.165 4.005 4.170 0.001 0.000 0.235 318 I C 1.994 177.672 176.117 -0.732 0.000 1.064 318 I CA 0.852 61.797 61.300 -0.592 0.000 1.439 318 I CB -0.984 36.536 38.000 -0.800 0.000 1.255 318 I HN -0.015 nan 8.210 nan 0.000 0.446 319 Y N 0.400 120.432 120.300 -0.445 0.000 2.293 319 Y HA -0.160 4.391 4.550 0.001 0.000 0.291 319 Y C 0.843 176.667 175.900 -0.127 0.000 1.137 319 Y CA 1.114 59.045 58.100 -0.283 0.000 1.202 319 Y CB -0.625 37.601 38.460 -0.391 0.000 0.990 319 Y HN 0.260 nan 8.280 nan 0.000 0.537 320 H N -0.799 118.341 119.070 0.118 0.000 2.776 320 H HA -0.197 4.359 4.556 0.001 0.000 0.300 320 H C -0.589 174.809 175.328 0.118 0.000 1.161 320 H CA 0.248 56.346 56.048 0.083 0.000 1.147 320 H CB -1.536 28.255 29.762 0.048 0.000 1.366 320 H HN 0.245 nan 8.280 nan 0.000 0.397 321 D N 0.556 121.097 120.400 0.235 0.000 2.350 321 D HA 0.169 4.810 4.640 0.001 0.000 0.249 321 D C 0.675 177.070 176.300 0.157 0.000 1.119 321 D CA -0.573 53.558 54.000 0.219 0.000 0.886 321 D CB 0.650 41.630 40.800 0.299 0.000 1.195 321 D HN 0.372 nan 8.370 nan 0.000 0.437 322 R N 2.296 122.869 120.500 0.121 0.000 2.491 322 R HA 0.271 4.612 4.340 0.001 0.000 0.283 322 R C -1.256 175.088 176.300 0.073 0.000 1.072 322 R CA -0.372 55.777 56.100 0.081 0.000 1.048 322 R CB 0.511 30.846 30.300 0.059 0.000 0.983 322 R HN 0.153 nan 8.270 nan 0.000 0.450 323 V N 8.065 128.014 119.914 0.057 0.000 2.368 323 V HA 0.308 4.428 4.120 0.001 0.000 0.266 323 V C -1.578 174.531 176.094 0.026 0.000 1.045 323 V CA -1.538 60.791 62.300 0.048 0.000 0.899 323 V CB 0.615 32.465 31.823 0.045 0.000 1.006 323 V HN 0.927 nan 8.190 nan 0.000 0.470 324 P HA 0.238 nan 4.420 nan 0.000 0.274 324 P C -0.554 176.742 177.300 -0.008 0.000 1.246 324 P CA -0.471 62.628 63.100 -0.001 0.000 0.795 324 P CB 0.823 32.515 31.700 -0.013 0.000 1.006 325 D N 0.178 120.567 120.400 -0.017 0.000 2.339 325 D HA 0.085 4.726 4.640 0.001 0.000 0.245 325 D C 1.640 177.916 176.300 -0.039 0.000 1.115 325 D CA -0.213 53.770 54.000 -0.028 0.000 0.917 325 D CB 0.840 41.623 40.800 -0.028 0.000 1.192 325 D HN 0.232 nan 8.370 nan 0.000 0.428 326 L N 1.969 123.154 121.223 -0.063 0.000 2.079 326 L HA -0.234 4.107 4.340 0.001 0.000 0.210 326 L C 2.323 179.156 176.870 -0.061 0.000 1.081 326 L CA 1.355 56.147 54.840 -0.082 0.000 0.752 326 L CB -0.581 41.371 42.059 -0.178 0.000 0.896 326 L HN 0.460 nan 8.230 nan 0.000 0.433 327 K N -0.536 119.831 120.400 -0.055 0.000 2.211 327 K HA -0.180 4.141 4.320 0.001 0.000 0.204 327 K C 0.963 177.545 176.600 -0.031 0.000 1.047 327 K CA 1.828 58.091 56.287 -0.039 0.000 0.935 327 K CB -0.308 32.172 32.500 -0.033 0.000 0.728 327 K HN 0.176 nan 8.250 nan 0.000 0.452 328 D N 0.746 121.126 120.400 -0.033 0.000 2.340 328 D HA 0.125 4.766 4.640 0.001 0.000 0.220 328 D C 0.029 176.306 176.300 -0.038 0.000 1.039 328 D CA 0.248 54.228 54.000 -0.033 0.000 0.866 328 D CB 0.096 40.876 40.800 -0.033 0.000 0.913 328 D HN 0.167 nan 8.370 nan 0.000 0.523 329 L N 1.381 122.584 121.223 -0.033 0.000 2.380 329 L HA 0.136 4.476 4.340 0.001 0.000 0.273 329 L C 0.569 177.424 176.870 -0.025 0.000 1.138 329 L CA -0.513 54.308 54.840 -0.031 0.000 0.832 329 L CB 0.626 42.676 42.059 -0.014 0.000 1.124 329 L HN -0.166 nan 8.230 nan 0.000 0.454 330 D N 4.128 124.509 120.400 -0.032 0.000 2.443 330 D HA 0.087 4.728 4.640 0.001 0.000 0.239 330 D C -1.888 174.408 176.300 -0.007 0.000 1.136 330 D CA -0.550 53.436 54.000 -0.023 0.000 0.879 330 D CB 0.444 41.225 40.800 -0.032 0.000 1.195 330 D HN 0.320 nan 8.370 nan 0.000 0.443 331 P HA 0.083 nan 4.420 nan 0.000 0.265 331 P C 0.133 177.437 177.300 0.007 0.000 1.193 331 P CA -0.021 63.082 63.100 0.005 0.000 0.765 331 P CB 0.621 32.321 31.700 0.001 0.000 0.823 332 I N 1.637 122.216 120.570 0.015 0.000 2.634 332 I HA 0.162 4.333 4.170 0.001 0.000 0.284 332 I C 1.687 177.806 176.117 0.004 0.000 1.124 332 I CA -0.089 61.220 61.300 0.015 0.000 1.417 332 I CB 0.424 38.438 38.000 0.025 0.000 1.396 332 I HN 0.412 nan 8.210 nan 0.000 0.571 333 G N 5.397 114.198 108.800 0.001 0.000 2.570 333 G HA2 0.347 4.308 3.960 0.001 0.000 0.276 333 G HA3 0.347 4.308 3.960 0.001 0.000 0.276 333 G C -0.498 174.391 174.900 -0.019 0.000 1.346 333 G CA -0.530 44.564 45.100 -0.010 0.000 1.034 333 G HN 0.615 nan 8.290 nan 0.000 0.512 334 K N -1.016 119.364 120.400 -0.033 0.000 2.464 334 K HA 0.625 4.945 4.320 0.001 0.000 0.253 334 K C -1.184 175.385 176.600 -0.052 0.000 0.933 334 K CA -0.725 55.527 56.287 -0.057 0.000 0.801 334 K CB 2.644 35.088 32.500 -0.093 0.000 1.271 334 K HN 0.592 nan 8.250 nan 0.000 0.430 335 A N 1.556 124.345 122.820 -0.052 0.000 2.446 335 A HA 0.349 4.670 4.320 0.001 0.000 0.282 335 A C -0.619 176.938 177.584 -0.045 0.000 1.102 335 A CA -0.538 51.474 52.037 -0.042 0.000 0.737 335 A CB 1.552 20.539 19.000 -0.020 0.000 1.212 335 A HN 0.540 nan 8.150 nan 0.000 0.434 336 T N 1.200 115.726 114.554 -0.048 0.000 2.910 336 T HA 0.478 4.828 4.350 0.001 0.000 0.293 336 T C 0.024 174.687 174.700 -0.062 0.000 1.015 336 T CA 0.100 62.197 62.100 -0.005 0.000 1.094 336 T CB 0.387 69.305 68.868 0.084 0.000 0.968 336 T HN 0.643 nan 8.240 nan 0.000 0.521 337 L N 4.959 126.102 121.223 -0.134 0.000 3.410 337 L HA 0.565 4.906 4.340 0.001 0.000 0.309 337 L C -0.671 175.923 176.870 -0.460 0.000 1.254 337 L CA 0.252 54.877 54.840 -0.357 0.000 1.048 337 L CB 0.670 42.416 42.059 -0.521 0.000 1.442 337 L HN 0.474 nan 8.230 nan 0.000 0.615 338 V N -0.001 119.801 119.914 -0.187 0.000 2.888 338 V HA 0.550 4.671 4.120 0.001 0.000 0.309 338 V C -0.811 175.259 176.094 -0.039 0.000 1.114 338 V CA -0.642 61.599 62.300 -0.098 0.000 0.940 338 V CB 2.985 34.810 31.823 0.003 0.000 1.021 338 V HN 0.143 nan 8.190 nan 0.000 0.426 339 K N 1.859 122.240 120.400 -0.032 0.000 2.502 339 K HA 0.547 4.868 4.320 0.001 0.000 0.257 339 K C -0.746 175.832 176.600 -0.037 0.000 0.938 339 K CA -0.562 55.705 56.287 -0.034 0.000 0.819 339 K CB 2.240 34.725 32.500 -0.024 0.000 1.333 339 K HN 0.632 nan 8.250 nan 0.000 0.434 340 S N 1.535 117.201 115.700 -0.056 0.000 2.544 340 S HA 0.019 4.490 4.470 0.001 0.000 0.290 340 S C -0.278 174.290 174.600 -0.052 0.000 1.276 340 S CA 0.060 58.223 58.200 -0.062 0.000 1.075 340 S CB 0.226 63.388 63.200 -0.065 0.000 0.849 340 S HN 0.397 nan 8.310 nan 0.000 0.494 341 T N 6.911 121.425 114.554 -0.065 0.000 2.814 341 T HA 0.248 4.599 4.350 0.001 0.000 0.297 341 T C -2.209 172.437 174.700 -0.091 0.000 0.956 341 T CA -0.963 61.105 62.100 -0.054 0.000 1.123 341 T CB 0.408 69.267 68.868 -0.015 0.000 0.902 341 T HN 0.324 nan 8.240 nan 0.000 0.528 342 P HA 0.172 nan 4.420 nan 0.000 0.269 342 P C -0.733 176.503 177.300 -0.106 0.000 1.209 342 P CA -0.424 62.641 63.100 -0.058 0.000 0.776 342 P CB 0.448 32.135 31.700 -0.023 0.000 0.876 343 V N 4.421 124.227 119.914 -0.181 0.000 2.364 343 V HA 0.246 4.366 4.120 0.001 0.000 0.272 343 V C 0.123 176.089 176.094 -0.214 0.000 1.036 343 V CA 0.071 62.196 62.300 -0.292 0.000 0.880 343 V CB 0.054 31.505 31.823 -0.621 0.000 0.991 343 V HN 0.557 nan 8.190 nan 0.000 0.460 344 N N 2.706 121.345 118.700 -0.102 0.000 2.581 344 N HA 0.393 5.133 4.740 0.001 0.000 0.279 344 N C -0.570 174.924 175.510 -0.026 0.000 1.124 344 N CA -0.547 52.475 53.050 -0.047 0.000 0.833 344 N CB 2.225 40.702 38.487 -0.017 0.000 1.338 344 N HN 0.623 nan 8.380 nan 0.000 0.533 345 V N 1.478 121.376 119.914 -0.027 0.000 2.763 345 V HA 0.414 4.535 4.120 0.001 0.000 0.306 345 V C -1.899 174.179 176.094 -0.027 0.000 1.059 345 V CA -0.959 61.306 62.300 -0.058 0.000 1.138 345 V CB 0.056 31.800 31.823 -0.131 0.000 0.940 345 V HN 0.484 nan 8.190 nan 0.000 0.489 346 P HA 0.382 nan 4.420 nan 0.000 0.286 346 P C 0.516 177.772 177.300 -0.073 0.000 1.269 346 P CA -0.450 62.558 63.100 -0.154 0.000 0.787 346 P CB 1.225 32.902 31.700 -0.039 0.000 0.920 347 I N -0.070 120.456 120.570 -0.074 0.000 3.684 347 I HA 0.085 4.256 4.170 0.001 0.000 0.304 347 I C 0.438 176.535 176.117 -0.034 0.000 1.278 347 I CA -0.222 61.077 61.300 -0.002 0.000 1.272 347 I CB -0.285 37.765 38.000 0.083 0.000 1.029 347 I HN 0.130 nan 8.210 nan 0.000 0.458 348 S N 0.215 115.879 115.700 -0.059 0.000 2.593 348 S HA 0.461 4.931 4.470 0.001 0.000 0.297 348 S C -0.230 174.392 174.600 0.037 0.000 1.112 348 S CA -0.801 57.388 58.200 -0.020 0.000 1.043 348 S CB 1.471 64.669 63.200 -0.003 0.000 1.054 348 S HN 0.310 nan 8.310 nan 0.000 0.516 349 Q N 0.701 120.522 119.800 0.034 0.000 2.432 349 Q HA 0.147 4.487 4.340 0.001 0.000 0.264 349 Q C -0.412 175.649 176.000 0.101 0.000 1.035 349 Q CA 0.073 55.907 55.803 0.052 0.000 0.908 349 Q CB 0.165 28.920 28.738 0.028 0.000 1.280 349 Q HN 0.720 nan 8.270 nan 0.000 0.455 350 K N 0.375 120.832 120.400 0.095 0.000 3.016 350 K HA -0.219 4.101 4.320 0.001 0.000 0.262 350 K C -0.672 176.011 176.600 0.137 0.000 1.043 350 K CA 0.470 56.811 56.287 0.090 0.000 0.761 350 K CB -1.661 30.873 32.500 0.057 0.000 1.230 350 K HN 0.458 nan 8.250 nan 0.000 0.485 351 F N 1.205 121.166 119.950 0.017 0.000 2.495 351 F HA 0.272 4.800 4.527 0.001 0.000 0.365 351 F C 0.624 176.436 175.800 0.021 0.000 1.090 351 F CA 0.146 58.160 58.000 0.023 0.000 1.235 351 F CB 0.558 39.575 39.000 0.028 0.000 1.119 351 F HN 0.122 nan 8.300 nan 0.000 0.562 352 T N 2.666 116.734 114.554 -0.810 0.000 2.881 352 T HA 0.227 4.578 4.350 0.001 0.000 0.290 352 T C -1.029 173.034 174.700 -1.062 0.000 1.000 352 T CA -1.001 60.620 62.100 -0.798 0.000 0.978 352 T CB 1.386 70.056 68.868 -0.329 0.000 0.997 352 T HN 0.515 nan 8.240 nan 0.000 0.443 353 D N 2.862 122.772 120.400 -0.817 0.000 2.374 353 D HA 0.193 4.834 4.640 0.001 0.000 0.240 353 D C 1.373 177.565 176.300 -0.179 0.000 1.229 353 D CA -0.730 53.040 54.000 -0.383 0.000 0.895 353 D CB 0.131 40.884 40.800 -0.078 0.000 1.046 353 D HN 0.550 nan 8.370 nan 0.000 0.498 354 L N 2.686 123.804 121.223 -0.176 0.000 2.064 354 L HA -0.243 4.098 4.340 0.001 0.000 0.216 354 L C 1.378 178.023 176.870 -0.374 0.000 1.077 354 L CA 1.274 55.930 54.840 -0.307 0.000 0.766 354 L CB -0.514 41.275 42.059 -0.450 0.000 0.890 354 L HN 0.438 nan 8.230 nan 0.000 0.435 355 F N -0.717 119.226 119.950 -0.012 0.000 2.660 355 F HA 0.091 4.618 4.527 0.001 0.000 0.297 355 F C 1.950 177.692 175.800 -0.097 0.000 1.132 355 F CA -0.170 57.777 58.000 -0.089 0.000 1.372 355 F CB -0.531 38.442 39.000 -0.045 0.000 1.003 355 F HN 0.058 nan 8.300 nan 0.000 0.524 356 E N 1.148 121.385 120.200 0.062 0.000 2.130 356 E HA -0.271 4.080 4.350 0.001 0.000 0.196 356 E C 1.923 178.550 176.600 0.045 0.000 0.998 356 E CA 1.616 58.041 56.400 0.042 0.000 0.806 356 E CB 0.165 29.864 29.700 -0.002 0.000 0.738 356 E HN 0.060 nan 8.360 nan 0.000 0.459 357 K N 0.289 120.724 120.400 0.059 0.000 2.147 357 K HA -0.003 4.317 4.320 0.001 0.000 0.205 357 K C 0.860 177.547 176.600 0.146 0.000 1.049 357 K CA 0.688 57.048 56.287 0.121 0.000 0.936 357 K CB -0.273 32.353 32.500 0.211 0.000 0.722 357 K HN 0.286 nan 8.250 nan 0.000 0.446 358 M N 1.268 120.860 119.600 -0.014 0.000 2.251 358 M HA -0.024 4.457 4.480 0.001 0.000 0.343 358 M C -0.793 175.539 176.300 0.054 0.000 1.245 358 M CA 0.055 55.317 55.300 -0.064 0.000 1.061 358 M CB 0.546 32.904 32.600 -0.404 0.000 1.723 358 M HN -0.233 nan 8.290 nan 0.000 0.449 359 V N 7.829 127.840 119.914 0.161 0.000 2.530 359 V HA 0.267 4.388 4.120 0.001 0.000 0.282 359 V C -2.058 174.069 176.094 0.054 0.000 1.048 359 V CA -1.508 60.867 62.300 0.125 0.000 0.997 359 V CB 0.526 32.456 31.823 0.178 0.000 0.987 359 V HN 0.776 nan 8.190 nan 0.000 0.477 360 P HA 0.026 nan 4.420 nan 0.000 0.262 360 P C 1.086 178.375 177.300 -0.018 0.000 1.182 360 P CA 0.198 63.290 63.100 -0.013 0.000 0.761 360 P CB 0.581 32.284 31.700 0.005 0.000 0.795 361 V N 2.834 122.715 119.914 -0.055 0.000 2.439 361 V HA -0.282 3.839 4.120 0.001 0.000 0.253 361 V C 2.354 178.417 176.094 -0.052 0.000 1.074 361 V CA 2.606 64.876 62.300 -0.049 0.000 1.076 361 V CB -0.950 30.808 31.823 -0.108 0.000 0.664 361 V HN 0.686 nan 8.190 nan 0.000 0.461 362 S N -1.323 114.345 115.700 -0.054 0.000 2.465 362 S HA -0.123 4.348 4.470 0.001 0.000 0.241 362 S C 1.663 176.190 174.600 -0.122 0.000 1.000 362 S CA 1.546 59.704 58.200 -0.070 0.000 0.964 362 S CB -0.009 63.167 63.200 -0.040 0.000 0.763 362 S HN 0.397 nan 8.310 nan 0.000 0.512 363 V N 0.073 119.936 119.914 -0.086 0.000 2.690 363 V HA 0.064 4.184 4.120 0.001 0.000 0.240 363 V C 2.360 178.396 176.094 -0.098 0.000 1.078 363 V CA 0.827 63.066 62.300 -0.103 0.000 1.102 363 V CB -0.572 31.276 31.823 0.042 0.000 0.800 363 V HN 0.270 nan 8.190 nan 0.000 0.479 364 Q N 0.452 120.231 119.800 -0.035 0.000 2.029 364 Q HA -0.297 4.043 4.340 0.001 0.000 0.209 364 Q C 2.246 178.217 176.000 -0.048 0.000 0.999 364 Q CA 2.401 58.191 55.803 -0.023 0.000 0.857 364 Q CB -0.473 28.257 28.738 -0.013 0.000 0.926 364 Q HN 0.630 nan 8.270 nan 0.000 0.415 365 Q N -0.976 118.784 119.800 -0.067 0.000 2.096 365 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 365 Q C 2.265 178.191 176.000 -0.124 0.000 0.982 365 Q CA 1.607 57.366 55.803 -0.073 0.000 0.850 365 Q CB -0.179 28.520 28.738 -0.065 0.000 0.901 365 Q HN 0.254 nan 8.270 nan 0.000 0.422 366 S N 0.148 115.687 115.700 -0.268 0.000 2.382 366 S HA -0.116 4.355 4.470 0.001 0.000 0.228 366 S C 1.627 176.036 174.600 -0.319 0.000 1.027 366 S CA 0.734 58.610 58.200 -0.540 0.000 0.991 366 S CB -0.084 62.350 63.200 -1.277 0.000 0.823 366 S HN 0.183 nan 8.310 nan 0.000 0.469 367 L N 1.191 122.362 121.223 -0.088 0.000 2.095 367 L HA 0.223 4.563 4.340 0.001 0.000 0.204 367 L C 2.420 179.422 176.870 0.220 0.000 1.080 367 L CA 1.522 56.502 54.840 0.235 0.000 0.759 367 L CB -1.273 40.904 42.059 0.197 0.000 0.914 367 L HN 0.257 nan 8.230 nan 0.000 0.439 368 A N -0.997 121.881 122.820 0.096 0.000 1.930 368 A HA -0.016 4.305 4.320 0.001 0.000 0.217 368 A C 2.321 179.949 177.584 0.073 0.000 1.175 368 A CA 1.431 53.511 52.037 0.072 0.000 0.627 368 A CB -0.727 18.285 19.000 0.020 0.000 0.815 368 A HN 0.396 nan 8.150 nan 0.000 0.443 369 A N -1.836 121.024 122.820 0.067 0.000 2.119 369 A HA 0.086 4.407 4.320 0.001 0.000 0.216 369 A C 1.946 179.608 177.584 0.129 0.000 1.152 369 A CA 1.201 53.275 52.037 0.061 0.000 0.708 369 A CB -0.627 18.388 19.000 0.024 0.000 0.805 369 A HN 0.698 nan 8.150 nan 0.000 0.460 370 Y N 1.414 121.776 120.300 0.103 0.000 2.163 370 Y HA -0.225 4.326 4.550 0.001 0.000 0.288 370 Y C 2.020 177.987 175.900 0.113 0.000 1.136 370 Y CA 2.012 60.213 58.100 0.168 0.000 1.147 370 Y CB -0.564 38.081 38.460 0.308 0.000 0.987 370 Y HN 0.350 nan 8.280 nan 0.000 0.509 371 N N 0.385 119.068 118.700 -0.029 0.000 2.036 371 N HA -0.262 4.478 4.740 0.001 0.000 0.195 371 N C 1.803 177.220 175.510 -0.155 0.000 1.037 371 N CA 1.850 54.818 53.050 -0.137 0.000 0.855 371 N CB -0.578 37.912 38.487 0.006 0.000 1.033 371 N HN 0.413 nan 8.380 nan 0.000 0.423 372 Q N 0.284 120.038 119.800 -0.076 0.000 2.439 372 Q HA 0.049 4.390 4.340 0.001 0.000 0.211 372 Q C 1.369 177.315 176.000 -0.090 0.000 0.978 372 Q CA 1.202 56.964 55.803 -0.069 0.000 0.897 372 Q CB 0.100 28.818 28.738 -0.033 0.000 0.956 372 Q HN 0.284 nan 8.270 nan 0.000 0.483 373 R N -1.168 119.257 120.500 -0.124 0.000 2.206 373 R HA 0.126 4.467 4.340 0.001 0.000 0.198 373 R C 1.927 178.095 176.300 -0.220 0.000 0.986 373 R CA 0.643 56.667 56.100 -0.127 0.000 1.029 373 R CB 0.055 30.321 30.300 -0.056 0.000 0.966 373 R HN 0.088 nan 8.270 nan 0.000 0.487 374 K N 1.052 121.234 120.400 -0.363 0.000 1.984 374 K HA -0.053 4.267 4.320 0.001 0.000 0.209 374 K C 1.984 178.392 176.600 -0.321 0.000 1.046 374 K CA 1.401 57.428 56.287 -0.434 0.000 0.934 374 K CB -0.138 32.041 32.500 -0.534 0.000 0.717 374 K HN 0.105 nan 8.250 nan 0.000 0.438 375 A N 2.138 124.823 122.820 -0.225 0.000 1.869 375 A HA -0.270 4.050 4.320 0.001 0.000 0.218 375 A C 1.883 179.382 177.584 -0.141 0.000 1.203 375 A CA 2.344 54.290 52.037 -0.152 0.000 0.638 375 A CB -1.092 17.846 19.000 -0.103 0.000 0.831 375 A HN 0.505 nan 8.150 nan 0.000 0.450 376 D N -0.728 119.596 120.400 -0.126 0.000 2.158 376 D HA -0.155 4.486 4.640 0.001 0.000 0.197 376 D C 1.855 178.085 176.300 -0.117 0.000 0.995 376 D CA 1.457 55.396 54.000 -0.102 0.000 0.846 376 D CB -0.234 40.518 40.800 -0.080 0.000 0.941 376 D HN 0.454 nan 8.370 nan 0.000 0.456 377 L N -0.189 120.933 121.223 -0.168 0.000 2.095 377 L HA -0.075 4.266 4.340 0.001 0.000 0.204 377 L C 2.323 179.074 176.870 -0.198 0.000 1.080 377 L CA 0.717 55.447 54.840 -0.185 0.000 0.759 377 L CB -0.023 41.889 42.059 -0.246 0.000 0.914 377 L HN -0.124 nan 8.230 nan 0.000 0.439 378 V N 0.056 119.820 119.914 -0.249 0.000 2.302 378 V HA -0.206 3.915 4.120 0.001 0.000 0.243 378 V C 2.227 178.258 176.094 -0.105 0.000 1.036 378 V CA 1.963 64.145 62.300 -0.196 0.000 1.020 378 V CB -0.456 31.236 31.823 -0.219 0.000 0.657 378 V HN 0.550 nan 8.190 nan 0.000 0.453 379 N N 0.429 119.073 118.700 -0.094 0.000 2.043 379 N HA -0.246 4.494 4.740 0.001 0.000 0.193 379 N C 1.943 177.420 175.510 -0.054 0.000 1.037 379 N CA 2.098 55.111 53.050 -0.063 0.000 0.851 379 N CB -0.652 37.800 38.487 -0.058 0.000 1.027 379 N HN 0.435 nan 8.380 nan 0.000 0.422 380 R N 0.839 121.303 120.500 -0.061 0.000 2.162 380 R HA -0.156 4.185 4.340 0.001 0.000 0.245 380 R C 2.317 178.592 176.300 -0.041 0.000 1.129 380 R CA 2.370 58.440 56.100 -0.050 0.000 0.940 380 R CB -0.275 29.991 30.300 -0.057 0.000 0.875 380 R HN 0.187 nan 8.270 nan 0.000 0.437 381 S N 0.023 115.695 115.700 -0.046 0.000 2.383 381 S HA -0.087 4.384 4.470 0.001 0.000 0.227 381 S C 1.847 176.434 174.600 -0.021 0.000 1.026 381 S CA 1.032 59.214 58.200 -0.031 0.000 0.981 381 S CB -0.177 63.005 63.200 -0.030 0.000 0.818 381 S HN 0.217 nan 8.310 nan 0.000 0.472 382 I N 2.313 122.868 120.570 -0.025 0.000 2.142 382 I HA -0.144 4.027 4.170 0.001 0.000 0.240 382 I C 2.814 178.921 176.117 -0.017 0.000 1.078 382 I CA 1.319 62.609 61.300 -0.017 0.000 1.343 382 I CB -1.913 36.076 38.000 -0.019 0.000 1.046 382 I HN 0.242 nan 8.210 nan 0.000 0.405 383 A N 0.251 123.058 122.820 -0.022 0.000 1.892 383 A HA -0.275 4.045 4.320 0.001 0.000 0.218 383 A C 2.288 179.862 177.584 -0.017 0.000 1.188 383 A CA 1.843 53.867 52.037 -0.022 0.000 0.631 383 A CB -0.827 18.158 19.000 -0.026 0.000 0.822 383 A HN 0.536 nan 8.150 nan 0.000 0.447 384 Q N -1.180 118.610 119.800 -0.017 0.000 2.077 384 Q HA -0.211 4.130 4.340 0.001 0.000 0.206 384 Q C 2.256 178.251 176.000 -0.009 0.000 0.989 384 Q CA 2.018 57.814 55.803 -0.013 0.000 0.853 384 Q CB -0.284 28.447 28.738 -0.012 0.000 0.907 384 Q HN 0.751 nan 8.270 nan 0.000 0.418 385 M N -0.339 119.256 119.600 -0.007 0.000 2.117 385 M HA -0.171 4.309 4.480 0.001 0.000 0.262 385 M C 2.162 178.460 176.300 -0.003 0.000 1.065 385 M CA 1.476 56.774 55.300 -0.003 0.000 1.114 385 M CB -0.154 32.446 32.600 0.000 0.000 1.361 385 M HN 0.103 nan 8.290 nan 0.000 0.408 386 R N 0.279 120.775 120.500 -0.006 0.000 2.070 386 R HA -0.152 4.189 4.340 0.001 0.000 0.233 386 R C 2.031 178.326 176.300 -0.008 0.000 1.137 386 R CA 1.683 57.778 56.100 -0.008 0.000 0.945 386 R CB -0.612 29.681 30.300 -0.012 0.000 0.845 386 R HN 0.441 nan 8.270 nan 0.000 0.430 387 E N 0.525 120.719 120.200 -0.010 0.000 2.147 387 E HA -0.240 4.110 4.350 0.001 0.000 0.199 387 E C 1.938 178.534 176.600 -0.007 0.000 1.005 387 E CA 1.690 58.084 56.400 -0.010 0.000 0.810 387 E CB -0.126 29.568 29.700 -0.011 0.000 0.736 387 E HN 0.400 nan 8.360 nan 0.000 0.460 388 A N 0.166 122.983 122.820 -0.005 0.000 1.872 388 A HA -0.136 4.184 4.320 0.001 0.000 0.214 388 A C 2.361 179.945 177.584 -0.001 0.000 1.187 388 A CA 1.708 53.743 52.037 -0.003 0.000 0.614 388 A CB -0.730 18.269 19.000 -0.002 0.000 0.826 388 A HN 0.196 nan 8.150 nan 0.000 0.442 389 T N -0.022 114.533 114.554 0.001 0.000 2.708 389 T HA -0.129 4.222 4.350 0.001 0.000 0.266 389 T C 2.025 176.728 174.700 0.004 0.000 1.037 389 T CA 1.949 64.052 62.100 0.005 0.000 1.146 389 T CB -0.631 68.243 68.868 0.009 0.000 0.865 389 T HN 0.536 nan 8.240 nan 0.000 0.435 390 T N 2.369 116.922 114.554 -0.001 0.000 2.624 390 T HA -0.123 4.228 4.350 0.001 0.000 0.268 390 T C 1.915 176.613 174.700 -0.003 0.000 1.041 390 T CA 1.373 63.470 62.100 -0.004 0.000 1.159 390 T CB -0.571 68.292 68.868 -0.008 0.000 0.863 390 T HN 0.230 nan 8.240 nan 0.000 0.434 391 L N 0.524 121.744 121.223 -0.004 0.000 2.056 391 L HA -0.011 4.329 4.340 0.001 0.000 0.207 391 L C 2.672 179.538 176.870 -0.006 0.000 1.078 391 L CA 1.670 56.507 54.840 -0.005 0.000 0.749 391 L CB -0.608 41.449 42.059 -0.005 0.000 0.901 391 L HN 0.257 nan 8.230 nan 0.000 0.433 392 A N 0.141 122.958 122.820 -0.004 0.000 1.865 392 A HA -0.257 4.064 4.320 0.001 0.000 0.217 392 A C 2.031 179.612 177.584 -0.006 0.000 1.191 392 A CA 2.043 54.076 52.037 -0.006 0.000 0.623 392 A CB -0.935 18.063 19.000 -0.003 0.000 0.826 392 A HN 0.608 nan 8.150 nan 0.000 0.444 393 N N 0.187 118.889 118.700 0.005 0.000 2.094 393 N HA -0.152 4.589 4.740 0.001 0.000 0.191 393 N C 1.798 177.310 175.510 0.003 0.000 1.023 393 N CA 1.623 54.682 53.050 0.014 0.000 0.857 393 N CB -0.905 37.601 38.487 0.032 0.000 1.013 393 N HN 0.517 nan 8.380 nan 0.000 0.426 394 G N 0.779 109.577 108.800 -0.003 0.000 2.402 394 G HA2 -0.156 3.805 3.960 0.001 0.000 0.216 394 G HA3 -0.156 3.805 3.960 0.001 0.000 0.216 394 G C 1.765 176.654 174.900 -0.019 0.000 1.162 394 G CA 0.785 45.879 45.100 -0.010 0.000 0.777 394 G HN 0.206 nan 8.290 nan 0.000 0.539 395 V N 1.156 121.057 119.914 -0.023 0.000 2.295 395 V HA -0.128 3.993 4.120 0.001 0.000 0.246 395 V C 2.923 178.981 176.094 -0.060 0.000 1.049 395 V CA 1.402 63.680 62.300 -0.038 0.000 1.024 395 V CB -0.554 31.249 31.823 -0.033 0.000 0.648 395 V HN 0.335 nan 8.190 nan 0.000 0.447 396 L N 0.107 121.300 121.223 -0.050 0.000 2.051 396 L HA -0.277 4.064 4.340 0.001 0.000 0.214 396 L C 2.736 179.570 176.870 -0.060 0.000 1.076 396 L CA 1.902 56.706 54.840 -0.061 0.000 0.758 396 L CB -0.914 41.123 42.059 -0.037 0.000 0.890 396 L HN 0.420 nan 8.230 nan 0.000 0.433 397 A N 0.292 123.090 122.820 -0.035 0.000 1.855 397 A HA -0.212 4.109 4.320 0.001 0.000 0.215 397 A C 2.440 180.003 177.584 -0.034 0.000 1.191 397 A CA 1.888 53.911 52.037 -0.023 0.000 0.613 397 A CB -0.823 18.173 19.000 -0.007 0.000 0.829 397 A HN 0.530 nan 8.150 nan 0.000 0.442 398 S N -0.565 115.111 115.700 -0.041 0.000 2.528 398 S HA 0.016 4.487 4.470 0.001 0.000 0.244 398 S C 0.930 175.483 174.600 -0.079 0.000 0.982 398 S CA 1.369 59.544 58.200 -0.041 0.000 0.953 398 S CB -0.483 62.697 63.200 -0.034 0.000 0.754 398 S HN 0.420 nan 8.310 nan 0.000 0.529 399 L N 0.708 121.847 121.223 -0.139 0.000 3.267 399 L HA 0.408 4.749 4.340 0.001 0.000 0.289 399 L C 0.423 177.215 176.870 -0.129 0.000 1.260 399 L CA -0.324 54.349 54.840 -0.279 0.000 1.034 399 L CB -0.508 41.156 42.059 -0.659 0.000 1.413 399 L HN 0.191 nan 8.230 nan 0.000 0.594 400 N N 1.754 120.429 118.700 -0.041 0.000 2.716 400 N HA -0.217 4.524 4.740 0.001 0.000 0.250 400 N C -1.039 174.466 175.510 -0.009 0.000 1.033 400 N CA 0.890 53.943 53.050 0.005 0.000 0.727 400 N CB -0.978 37.545 38.487 0.060 0.000 0.950 400 N HN 0.430 nan 8.380 nan 0.000 0.541 401 L N -0.061 121.132 121.223 -0.049 0.000 2.362 401 L HA 0.519 4.860 4.340 0.001 0.000 0.271 401 L C -1.284 175.552 176.870 -0.056 0.000 1.002 401 L CA -1.706 53.096 54.840 -0.063 0.000 0.818 401 L CB 1.985 43.989 42.059 -0.091 0.000 1.298 401 L HN -0.086 nan 8.230 nan 0.000 0.420 402 P HA 0.027 nan 4.420 nan 0.000 0.255 402 P C 0.826 178.093 177.300 -0.055 0.000 1.301 402 P CA 0.210 63.270 63.100 -0.067 0.000 0.817 402 P CB 0.601 32.263 31.700 -0.065 0.000 1.259 403 A N 1.665 124.462 122.820 -0.037 0.000 1.858 403 A HA -0.083 4.238 4.320 0.001 0.000 0.216 403 A C 2.473 180.059 177.584 0.003 0.000 1.190 403 A CA 2.023 54.048 52.037 -0.019 0.000 0.617 403 A CB -1.524 17.471 19.000 -0.009 0.000 0.827 403 A HN 0.243 nan 8.150 nan 0.000 0.443 404 A N 0.460 123.295 122.820 0.025 0.000 1.986 404 A HA -0.166 4.155 4.320 0.001 0.000 0.220 404 A C 2.036 179.666 177.584 0.077 0.000 1.171 404 A CA 1.775 53.866 52.037 0.091 0.000 0.640 404 A CB -0.904 18.208 19.000 0.187 0.000 0.811 404 A HN 1.076 nan 8.150 nan 0.000 0.451 405 I N -5.181 115.371 120.570 -0.031 0.000 3.728 405 I HA 0.172 4.342 4.170 0.001 0.000 0.307 405 I C 0.987 177.098 176.117 -0.010 0.000 1.276 405 I CA 0.642 61.915 61.300 -0.045 0.000 1.285 405 I CB 0.064 37.964 38.000 -0.166 0.000 1.038 405 I HN -0.034 nan 8.210 nan 0.000 0.445 406 E N 1.582 121.777 120.200 -0.009 0.000 2.451 406 E HA 0.064 4.415 4.350 0.001 0.000 0.194 406 E C -0.401 176.204 176.600 0.008 0.000 1.027 406 E CA 0.199 56.595 56.400 -0.006 0.000 0.914 406 E CB 0.116 29.803 29.700 -0.020 0.000 1.054 406 E HN 0.387 nan 8.360 nan 0.000 0.461 407 D N 0.847 121.264 120.400 0.029 0.000 2.622 407 D HA 0.043 4.684 4.640 0.001 0.000 0.262 407 D C 1.459 177.782 176.300 0.038 0.000 1.189 407 D CA -0.263 53.758 54.000 0.034 0.000 0.985 407 D CB 0.333 41.163 40.800 0.049 0.000 0.994 407 D HN -0.177 nan 8.370 nan 0.000 0.513 408 V N 1.026 120.955 119.914 0.026 0.000 2.214 408 V HA -0.153 3.967 4.120 0.001 0.000 0.247 408 V C 1.561 177.668 176.094 0.022 0.000 1.051 408 V CA 1.824 64.139 62.300 0.024 0.000 1.003 408 V CB -1.455 30.377 31.823 0.014 0.000 0.635 408 V HN 0.473 nan 8.190 nan 0.000 0.447 409 S N 0.589 116.298 115.700 0.016 0.000 2.397 409 S HA 0.629 5.100 4.470 0.001 0.000 0.261 409 S C 0.939 175.548 174.600 0.015 0.000 1.151 409 S CA 0.062 58.270 58.200 0.013 0.000 1.022 409 S CB 0.694 63.899 63.200 0.008 0.000 1.187 409 S HN 0.881 nan 8.310 nan 0.000 0.473 410 G N -0.481 108.326 108.800 0.011 0.000 4.547 410 G HA2 0.343 4.304 3.960 0.001 0.000 0.301 410 G HA3 0.343 4.304 3.960 0.001 0.000 0.301 410 G C -0.182 174.723 174.900 0.007 0.000 1.240 410 G CA -0.172 44.934 45.100 0.012 0.000 0.970 410 G HN 0.571 nan 8.290 nan 0.000 0.574 411 D N 0.215 120.619 120.400 0.006 0.000 2.455 411 D HA 0.052 4.693 4.640 0.001 0.000 0.228 411 D C 1.416 177.716 176.300 0.001 0.000 1.070 411 D CA 0.982 54.984 54.000 0.003 0.000 0.881 411 D CB 1.193 41.995 40.800 0.003 0.000 1.087 411 D HN 0.379 nan 8.370 nan 0.000 0.498 412 T N -2.297 112.257 114.554 0.001 0.000 2.807 412 T HA 0.563 4.913 4.350 0.001 0.000 0.277 412 T C -0.108 174.589 174.700 -0.005 0.000 1.006 412 T CA -0.717 61.381 62.100 -0.003 0.000 1.006 412 T CB 1.641 70.507 68.868 -0.004 0.000 1.274 412 T HN -0.254 nan 8.240 nan 0.000 0.569 413 V N 3.065 122.974 119.914 -0.010 0.000 2.353 413 V HA 0.323 4.444 4.120 0.001 0.000 0.264 413 V C -2.191 173.892 176.094 -0.018 0.000 1.049 413 V CA -1.578 60.713 62.300 -0.014 0.000 0.896 413 V CB 0.153 31.964 31.823 -0.019 0.000 1.025 413 V HN 0.760 nan 8.190 nan 0.000 0.475 414 P HA -0.064 nan 4.420 nan 0.000 0.261 414 P C 0.758 178.037 177.300 -0.034 0.000 1.165 414 P CA 0.326 63.413 63.100 -0.020 0.000 0.759 414 P CB 0.555 32.245 31.700 -0.018 0.000 0.772 415 Q N 4.060 123.840 119.800 -0.034 0.000 2.096 415 Q HA -0.263 4.078 4.340 0.001 0.000 0.208 415 Q C 1.780 177.743 176.000 -0.061 0.000 0.993 415 Q CA 2.826 58.605 55.803 -0.041 0.000 0.862 415 Q CB -1.008 27.709 28.738 -0.035 0.000 0.915 415 Q HN 0.557 nan 8.270 nan 0.000 0.416 416 S N -0.511 115.147 115.700 -0.070 0.000 2.353 416 S HA -0.195 4.276 4.470 0.001 0.000 0.222 416 S C 1.976 176.495 174.600 -0.135 0.000 1.035 416 S CA 1.400 59.539 58.200 -0.102 0.000 1.025 416 S CB -0.715 62.428 63.200 -0.094 0.000 0.902 416 S HN 0.372 nan 8.310 nan 0.000 0.440 417 I N 1.478 121.986 120.570 -0.103 0.000 2.163 417 I HA -0.119 4.052 4.170 0.001 0.000 0.243 417 I C 2.390 178.446 176.117 -0.101 0.000 1.085 417 I CA 0.849 62.088 61.300 -0.103 0.000 1.347 417 I CB -0.564 37.400 38.000 -0.059 0.000 1.044 417 I HN 0.219 nan 8.210 nan 0.000 0.408 418 L N -0.203 120.974 121.223 -0.077 0.000 2.079 418 L HA -0.229 4.112 4.340 0.001 0.000 0.210 418 L C 2.481 179.303 176.870 -0.079 0.000 1.081 418 L CA 2.071 56.872 54.840 -0.065 0.000 0.752 418 L CB -0.955 41.076 42.059 -0.047 0.000 0.896 418 L HN 0.254 nan 8.230 nan 0.000 0.433 419 T N -0.736 113.759 114.554 -0.100 0.000 2.701 419 T HA -0.198 4.153 4.350 0.001 0.000 0.263 419 T C 1.895 176.504 174.700 -0.151 0.000 1.040 419 T CA 1.688 63.724 62.100 -0.107 0.000 1.147 419 T CB -0.121 68.682 68.868 -0.108 0.000 0.865 419 T HN 0.293 nan 8.240 nan 0.000 0.426 420 K N 1.063 121.299 120.400 -0.274 0.000 2.063 420 K HA -0.100 4.221 4.320 0.001 0.000 0.208 420 K C 2.728 179.249 176.600 -0.132 0.000 1.048 420 K CA 1.421 57.436 56.287 -0.453 0.000 0.928 420 K CB -0.295 31.693 32.500 -0.853 0.000 0.713 420 K HN 0.227 nan 8.250 nan 0.000 0.442 421 S N 0.983 116.623 115.700 -0.100 0.000 2.348 421 S HA -0.170 4.301 4.470 0.001 0.000 0.221 421 S C 1.973 176.539 174.600 -0.056 0.000 1.033 421 S CA 1.227 59.391 58.200 -0.062 0.000 1.010 421 S CB -0.081 63.085 63.200 -0.058 0.000 0.891 421 S HN 0.229 nan 8.310 nan 0.000 0.442 422 R N 0.587 121.058 120.500 -0.047 0.000 2.120 422 R HA -0.041 4.300 4.340 0.001 0.000 0.234 422 R C 2.823 179.115 176.300 -0.012 0.000 1.123 422 R CA 1.356 57.438 56.100 -0.031 0.000 0.975 422 R CB -0.602 29.682 30.300 -0.027 0.000 0.866 422 R HN 0.582 nan 8.270 nan 0.000 0.446 423 S N 0.389 116.092 115.700 0.005 0.000 2.368 423 S HA -0.107 4.364 4.470 0.001 0.000 0.225 423 S C 2.042 176.680 174.600 0.063 0.000 1.030 423 S CA 1.345 59.585 58.200 0.068 0.000 0.999 423 S CB -0.129 63.150 63.200 0.131 0.000 0.844 423 S HN 0.112 nan 8.310 nan 0.000 0.459 424 V N 1.949 121.855 119.914 -0.014 0.000 2.295 424 V HA -0.129 3.992 4.120 0.001 0.000 0.246 424 V C 2.373 178.329 176.094 -0.230 0.000 1.049 424 V CA 2.033 64.157 62.300 -0.294 0.000 1.024 424 V CB -0.704 30.816 31.823 -0.505 0.000 0.648 424 V HN 0.527 nan 8.190 nan 0.000 0.447 425 I N 0.074 120.568 120.570 -0.127 0.000 2.286 425 I HA -0.261 3.910 4.170 0.001 0.000 0.248 425 I C 2.542 178.651 176.117 -0.013 0.000 1.115 425 I CA 1.915 63.174 61.300 -0.068 0.000 1.392 425 I CB -0.316 37.656 38.000 -0.047 0.000 1.065 425 I HN 0.421 nan 8.210 nan 0.000 0.418 426 E N 1.088 121.291 120.200 0.006 0.000 2.046 426 E HA -0.237 4.114 4.350 0.001 0.000 0.190 426 E C 1.967 178.603 176.600 0.059 0.000 0.982 426 E CA 0.947 57.366 56.400 0.031 0.000 0.800 426 E CB -0.017 29.704 29.700 0.035 0.000 0.756 426 E HN 0.488 nan 8.360 nan 0.000 0.449 427 Q N -0.803 119.053 119.800 0.094 0.000 2.591 427 Q HA -0.017 4.324 4.340 0.001 0.000 0.219 427 Q C 0.853 176.957 176.000 0.173 0.000 0.981 427 Q CA 0.549 56.444 55.803 0.154 0.000 0.945 427 Q CB 0.284 29.182 28.738 0.267 0.000 0.985 427 Q HN 0.580 nan 8.270 nan 0.000 0.542 428 G N -1.070 107.800 108.800 0.116 0.000 2.218 428 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 428 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 428 G C 0.571 175.535 174.900 0.106 0.000 0.994 428 G CA -0.354 44.810 45.100 0.108 0.000 0.637 428 G HN 0.804 nan 8.290 nan 0.000 0.505 429 G N -0.256 108.595 108.800 0.085 0.000 2.539 429 G HA2 -0.058 3.903 3.960 0.001 0.000 0.256 429 G HA3 -0.058 3.903 3.960 0.001 0.000 0.256 429 G C 0.936 175.957 174.900 0.203 0.000 1.233 429 G CA 0.659 45.753 45.100 -0.010 0.000 0.936 429 G HN 1.382 nan 8.290 nan 0.000 0.571 430 I N 0.758 121.419 120.570 0.152 0.000 2.493 430 I HA -0.022 4.148 4.170 0.001 0.000 0.254 430 I C 2.695 178.938 176.117 0.210 0.000 1.160 430 I CA 2.551 63.992 61.300 0.235 0.000 1.445 430 I CB -0.281 37.804 38.000 0.141 0.000 1.086 430 I HN 0.688 nan 8.210 nan 0.000 0.433 431 Q N 0.314 120.203 119.800 0.148 0.000 2.124 431 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 431 Q C 2.099 178.166 176.000 0.113 0.000 0.977 431 Q CA 2.765 58.636 55.803 0.113 0.000 0.850 431 Q CB -0.852 27.933 28.738 0.079 0.000 0.901 431 Q HN 0.616 nan 8.270 nan 0.000 0.429 432 T N -2.583 112.059 114.554 0.146 0.000 2.867 432 T HA -0.046 4.304 4.350 0.001 0.000 0.268 432 T C 1.833 176.568 174.700 0.058 0.000 1.057 432 T CA 1.145 63.308 62.100 0.106 0.000 1.136 432 T CB -0.599 68.347 68.868 0.131 0.000 0.874 432 T HN 0.085 nan 8.240 nan 0.000 0.466 433 V N 2.194 122.170 119.914 0.103 0.000 2.379 433 V HA -0.103 4.018 4.120 0.001 0.000 0.245 433 V C 2.607 178.720 176.094 0.031 0.000 1.044 433 V CA 1.747 64.071 62.300 0.040 0.000 1.036 433 V CB -0.557 31.340 31.823 0.123 0.000 0.664 433 V HN 0.426 nan 8.190 nan 0.000 0.453 434 D N -0.471 120.005 120.400 0.127 0.000 2.144 434 D HA -0.191 4.450 4.640 0.001 0.000 0.199 434 D C 2.194 178.490 176.300 -0.007 0.000 0.984 434 D CA 1.219 55.277 54.000 0.097 0.000 0.834 434 D CB -0.072 40.823 40.800 0.158 0.000 0.955 434 D HN 0.450 nan 8.370 nan 0.000 0.465 435 Q N -0.034 119.770 119.800 0.007 0.000 2.123 435 Q HA -0.039 4.302 4.340 0.001 0.000 0.199 435 Q C 2.420 178.393 176.000 -0.045 0.000 0.966 435 Q CA 0.472 56.268 55.803 -0.012 0.000 0.845 435 Q CB 0.106 28.848 28.738 0.006 0.000 0.907 435 Q HN 0.293 nan 8.270 nan 0.000 0.439 436 L N 0.199 121.385 121.223 -0.061 0.000 2.156 436 L HA -0.162 4.178 4.340 0.001 0.000 0.208 436 L C 2.218 179.009 176.870 -0.130 0.000 1.095 436 L CA 0.320 55.112 54.840 -0.080 0.000 0.770 436 L CB -0.256 41.757 42.059 -0.076 0.000 0.914 436 L HN 0.262 nan 8.230 nan 0.000 0.439 437 I N 0.226 120.661 120.570 -0.224 0.000 2.226 437 I HA -0.276 3.895 4.170 0.001 0.000 0.245 437 I C 2.525 178.527 176.117 -0.193 0.000 1.100 437 I CA 1.494 62.601 61.300 -0.323 0.000 1.374 437 I CB -0.769 36.793 38.000 -0.729 0.000 1.057 437 I HN 0.312 nan 8.210 nan 0.000 0.413 438 K N 0.904 121.222 120.400 -0.136 0.000 2.097 438 K HA -0.196 4.125 4.320 0.001 0.000 0.206 438 K C 1.780 178.335 176.600 -0.075 0.000 1.049 438 K CA 1.579 57.818 56.287 -0.081 0.000 0.933 438 K CB 0.087 32.559 32.500 -0.047 0.000 0.717 438 K HN 0.510 nan 8.250 nan 0.000 0.442 439 E N -0.046 120.109 120.200 -0.075 0.000 2.474 439 E HA -0.085 4.265 4.350 0.001 0.000 0.194 439 E C 1.772 178.314 176.600 -0.098 0.000 1.041 439 E CA 0.070 56.426 56.400 -0.072 0.000 0.874 439 E CB 0.089 29.758 29.700 -0.052 0.000 0.914 439 E HN 0.078 nan 8.360 nan 0.000 0.498 440 L N 1.500 122.662 121.223 -0.103 0.000 2.072 440 L HA 0.053 4.394 4.340 0.001 0.000 0.205 440 L C -0.789 175.960 176.870 -0.201 0.000 1.079 440 L CA 1.301 56.068 54.840 -0.121 0.000 0.752 440 L CB -0.505 41.516 42.059 -0.062 0.000 0.906 440 L HN 0.080 nan 8.230 nan 0.000 0.436 441 P HA -0.147 nan 4.420 nan 0.000 0.220 441 P C 1.141 178.341 177.300 -0.166 0.000 1.148 441 P CA 1.268 64.284 63.100 -0.139 0.000 0.803 441 P CB 0.107 31.756 31.700 -0.085 0.000 0.782 442 E N -0.803 119.305 120.200 -0.154 0.000 2.112 442 E HA -0.046 4.304 4.350 0.001 0.000 0.190 442 E C 1.866 178.356 176.600 -0.183 0.000 0.979 442 E CA 0.684 57.002 56.400 -0.136 0.000 0.814 442 E CB -0.511 29.132 29.700 -0.095 0.000 0.762 442 E HN 0.214 nan 8.360 nan 0.000 0.460 443 L N 0.501 121.568 121.223 -0.259 0.000 2.093 443 L HA -0.134 4.206 4.340 0.001 0.000 0.208 443 L C 2.410 178.944 176.870 -0.560 0.000 1.085 443 L CA 0.292 54.930 54.840 -0.336 0.000 0.755 443 L CB -0.359 41.521 42.059 -0.298 0.000 0.904 443 L HN 0.184 nan 8.230 nan 0.000 0.435 444 L N 0.081 120.841 121.223 -0.771 0.000 2.012 444 L HA -0.245 4.096 4.340 0.001 0.000 0.210 444 L C 2.567 179.312 176.870 -0.209 0.000 1.073 444 L CA 1.842 56.349 54.840 -0.555 0.000 0.748 444 L CB -0.544 41.307 42.059 -0.346 0.000 0.891 444 L HN 0.208 nan 8.230 nan 0.000 0.431 445 Q N -0.356 119.340 119.800 -0.174 0.000 2.172 445 Q HA -0.180 4.161 4.340 0.001 0.000 0.200 445 Q C 2.419 178.371 176.000 -0.080 0.000 0.964 445 Q CA 1.479 57.224 55.803 -0.096 0.000 0.855 445 Q CB -0.373 28.316 28.738 -0.081 0.000 0.918 445 Q HN 0.483 nan 8.270 nan 0.000 0.444 446 R N -0.147 120.293 120.500 -0.099 0.000 2.096 446 R HA -0.103 4.237 4.340 0.001 0.000 0.235 446 R C 1.272 177.534 176.300 -0.063 0.000 1.127 446 R CA 1.795 57.850 56.100 -0.075 0.000 0.968 446 R CB -0.202 30.051 30.300 -0.079 0.000 0.861 446 R HN 0.391 nan 8.270 nan 0.000 0.440 447 N N -0.241 118.422 118.700 -0.061 0.000 2.270 447 N HA -0.049 4.692 4.740 0.001 0.000 0.181 447 N C 1.848 177.333 175.510 -0.042 0.000 1.016 447 N CA 0.749 53.773 53.050 -0.045 0.000 0.870 447 N CB 0.039 38.535 38.487 0.016 0.000 0.979 447 N HN 0.174 nan 8.380 nan 0.000 0.431 448 R N 0.817 121.302 120.500 -0.025 0.000 2.066 448 R HA -0.094 4.247 4.340 0.001 0.000 0.232 448 R C 1.780 178.069 176.300 -0.017 0.000 1.131 448 R CA 1.101 57.193 56.100 -0.012 0.000 0.955 448 R CB -0.184 30.113 30.300 -0.004 0.000 0.851 448 R HN 0.261 nan 8.270 nan 0.000 0.432 449 E N 0.669 120.853 120.200 -0.025 0.000 2.086 449 E HA -0.202 4.149 4.350 0.001 0.000 0.200 449 E C 1.886 178.475 176.600 -0.018 0.000 1.012 449 E CA 1.498 57.886 56.400 -0.021 0.000 0.812 449 E CB -0.092 29.591 29.700 -0.028 0.000 0.743 449 E HN 0.293 nan 8.360 nan 0.000 0.453 450 I N 0.116 120.667 120.570 -0.031 0.000 2.202 450 I HA -0.230 3.941 4.170 0.001 0.000 0.242 450 I C 2.460 178.579 176.117 0.004 0.000 1.091 450 I CA 0.650 61.934 61.300 -0.026 0.000 1.368 450 I CB -0.254 37.716 38.000 -0.051 0.000 1.058 450 I HN 0.180 nan 8.210 nan 0.000 0.410 451 L N 0.902 122.112 121.223 -0.021 0.000 2.012 451 L HA -0.283 4.058 4.340 0.001 0.000 0.210 451 L C 2.167 179.083 176.870 0.076 0.000 1.073 451 L CA 1.935 56.784 54.840 0.015 0.000 0.748 451 L CB -0.423 41.609 42.059 -0.044 0.000 0.891 451 L HN 0.246 nan 8.230 nan 0.000 0.431 452 D N -0.385 120.038 120.400 0.038 0.000 2.097 452 D HA -0.203 4.438 4.640 0.001 0.000 0.197 452 D C 2.074 178.393 176.300 0.031 0.000 0.984 452 D CA 1.400 55.423 54.000 0.038 0.000 0.826 452 D CB -0.208 40.605 40.800 0.022 0.000 0.973 452 D HN 0.489 nan 8.370 nan 0.000 0.460 453 E N 0.592 120.802 120.200 0.016 0.000 2.130 453 E HA -0.133 4.217 4.350 0.001 0.000 0.196 453 E C 2.155 178.754 176.600 -0.001 0.000 0.998 453 E CA 1.066 57.468 56.400 0.002 0.000 0.806 453 E CB 0.095 29.790 29.700 -0.009 0.000 0.738 453 E HN 0.081 nan 8.360 nan 0.000 0.459 454 S N 0.685 116.396 115.700 0.020 0.000 2.345 454 S HA -0.095 4.376 4.470 0.001 0.000 0.220 454 S C 2.019 176.610 174.600 -0.015 0.000 1.031 454 S CA 0.811 59.005 58.200 -0.010 0.000 0.996 454 S CB -0.189 63.054 63.200 0.072 0.000 0.882 454 S HN 0.179 nan 8.310 nan 0.000 0.445 455 L N 1.303 122.568 121.223 0.070 0.000 2.141 455 L HA -0.035 4.306 4.340 0.001 0.000 0.209 455 L C 2.705 179.584 176.870 0.014 0.000 1.094 455 L CA 1.063 55.938 54.840 0.059 0.000 0.763 455 L CB -0.512 41.616 42.059 0.115 0.000 0.908 455 L HN 0.253 nan 8.230 nan 0.000 0.437 456 R N 0.979 121.489 120.500 0.016 0.000 2.105 456 R HA -0.172 4.169 4.340 0.001 0.000 0.239 456 R C 2.301 178.597 176.300 -0.006 0.000 1.135 456 R CA 1.328 57.434 56.100 0.010 0.000 0.967 456 R CB -0.278 30.029 30.300 0.012 0.000 0.861 456 R HN 0.341 nan 8.270 nan 0.000 0.442 457 L N 0.819 122.023 121.223 -0.032 0.000 2.021 457 L HA -0.271 4.070 4.340 0.001 0.000 0.215 457 L C 2.547 179.374 176.870 -0.072 0.000 1.074 457 L CA 1.587 56.397 54.840 -0.051 0.000 0.760 457 L CB -0.514 41.491 42.059 -0.091 0.000 0.889 457 L HN 0.305 nan 8.230 nan 0.000 0.433 458 L N -0.874 120.262 121.223 -0.144 0.000 2.056 458 L HA -0.218 4.123 4.340 0.001 0.000 0.207 458 L C 2.338 179.224 176.870 0.026 0.000 1.078 458 L CA 1.090 55.788 54.840 -0.237 0.000 0.749 458 L CB -0.767 41.084 42.059 -0.347 0.000 0.901 458 L HN 0.307 nan 8.230 nan 0.000 0.433 459 D N 0.345 120.767 120.400 0.037 0.000 2.092 459 D HA -0.198 4.443 4.640 0.001 0.000 0.193 459 D C 2.073 178.420 176.300 0.078 0.000 0.994 459 D CA 1.353 55.397 54.000 0.074 0.000 0.828 459 D CB -0.173 40.658 40.800 0.052 0.000 0.963 459 D HN 0.392 nan 8.370 nan 0.000 0.450 460 E N 0.448 120.681 120.200 0.054 0.000 2.058 460 E HA -0.189 4.162 4.350 0.001 0.000 0.194 460 E C 2.045 178.692 176.600 0.078 0.000 0.997 460 E CA 0.749 57.180 56.400 0.052 0.000 0.801 460 E CB 0.017 29.738 29.700 0.035 0.000 0.746 460 E HN 0.169 nan 8.360 nan 0.000 0.450 461 E N 0.974 121.242 120.200 0.113 0.000 2.153 461 E HA -0.227 4.124 4.350 0.001 0.000 0.194 461 E C 1.876 178.592 176.600 0.194 0.000 0.988 461 E CA 1.002 57.502 56.400 0.168 0.000 0.811 461 E CB 0.062 29.904 29.700 0.236 0.000 0.746 461 E HN 0.325 nan 8.360 nan 0.000 0.466 462 E N -0.264 120.070 120.200 0.224 0.000 2.107 462 E HA -0.105 4.245 4.350 0.001 0.000 0.191 462 E C 1.952 178.611 176.600 0.098 0.000 0.982 462 E CA 0.852 57.359 56.400 0.177 0.000 0.809 462 E CB -0.063 29.765 29.700 0.213 0.000 0.756 462 E HN 0.207 nan 8.360 nan 0.000 0.459 463 A N 0.655 123.522 122.820 0.079 0.000 1.908 463 A HA -0.213 4.108 4.320 0.001 0.000 0.218 463 A C 2.475 180.070 177.584 0.018 0.000 1.181 463 A CA 2.432 54.495 52.037 0.043 0.000 0.627 463 A CB -1.192 17.829 19.000 0.035 0.000 0.818 463 A HN 0.511 nan 8.150 nan 0.000 0.445 464 T N -2.124 112.439 114.554 0.015 0.000 2.937 464 T HA -0.109 4.242 4.350 0.001 0.000 0.260 464 T C 1.576 176.225 174.700 -0.085 0.000 1.051 464 T CA 1.646 63.724 62.100 -0.038 0.000 1.141 464 T CB -0.394 68.449 68.868 -0.042 0.000 0.879 464 T HN 0.450 nan 8.240 nan 0.000 0.459 465 D N 1.700 122.099 120.400 -0.002 0.000 2.104 465 D HA -0.162 4.479 4.640 0.001 0.000 0.194 465 D C 2.007 178.328 176.300 0.034 0.000 0.994 465 D CA 1.390 55.423 54.000 0.055 0.000 0.830 465 D CB -0.426 40.493 40.800 0.198 0.000 0.959 465 D HN 0.321 nan 8.370 nan 0.000 0.452 466 N N 0.512 119.235 118.700 0.037 0.000 2.205 466 N HA -0.130 4.611 4.740 0.001 0.000 0.186 466 N C 1.061 176.565 175.510 -0.011 0.000 1.015 466 N CA 1.228 54.295 53.050 0.029 0.000 0.862 466 N CB -0.316 38.189 38.487 0.029 0.000 0.986 466 N HN 0.400 nan 8.380 nan 0.000 0.429 467 D N 0.297 120.667 120.400 -0.050 0.000 2.194 467 D HA 0.034 4.675 4.640 0.001 0.000 0.204 467 D C 2.157 178.394 176.300 -0.106 0.000 0.964 467 D CA 0.240 54.199 54.000 -0.068 0.000 0.846 467 D CB -0.141 40.621 40.800 -0.062 0.000 0.962 467 D HN 0.227 nan 8.370 nan 0.000 0.490 468 L N 0.321 121.406 121.223 -0.231 0.000 2.056 468 L HA -0.061 4.280 4.340 0.001 0.000 0.207 468 L C 2.598 179.388 176.870 -0.134 0.000 1.078 468 L CA 0.831 55.448 54.840 -0.372 0.000 0.749 468 L CB -0.228 41.078 42.059 -1.256 0.000 0.901 468 L HN -0.076 nan 8.230 nan 0.000 0.433 469 R N 0.250 120.743 120.500 -0.011 0.000 2.091 469 R HA -0.189 4.152 4.340 0.001 0.000 0.238 469 R C 2.346 178.692 176.300 0.076 0.000 1.136 469 R CA 1.477 57.689 56.100 0.187 0.000 0.959 469 R CB -0.261 30.167 30.300 0.213 0.000 0.856 469 R HN 0.353 nan 8.270 nan 0.000 0.437 470 A N 0.581 123.406 122.820 0.007 0.000 1.883 470 A HA -0.201 4.120 4.320 0.001 0.000 0.217 470 A C 2.044 179.570 177.584 -0.097 0.000 1.186 470 A CA 1.802 53.819 52.037 -0.034 0.000 0.624 470 A CB -0.312 18.662 19.000 -0.044 0.000 0.822 470 A HN 0.300 nan 8.150 nan 0.000 0.444 471 K N -2.542 117.752 120.400 -0.177 0.000 2.356 471 K HA 0.221 4.542 4.320 0.001 0.000 0.195 471 K C -0.562 175.578 176.600 -0.766 0.000 1.037 471 K CA 0.277 56.291 56.287 -0.456 0.000 1.014 471 K CB 0.146 32.311 32.500 -0.558 0.000 0.815 471 K HN 0.415 nan 8.250 nan 0.000 0.507 472 F N 0.319 120.270 119.950 0.003 0.000 2.688 472 F HA 0.248 4.776 4.527 0.001 0.000 0.376 472 F C 0.456 176.320 175.800 0.107 0.000 1.428 472 F CA -0.847 57.183 58.000 0.051 0.000 1.156 472 F CB 0.788 39.822 39.000 0.057 0.000 1.141 472 F HN -0.238 nan 8.300 nan 0.000 0.521 473 K N 0.610 121.097 120.400 0.145 0.000 2.031 473 K HA -0.310 4.011 4.320 0.001 0.000 0.228 473 K C 1.723 178.416 176.600 0.155 0.000 1.050 473 K CA 2.495 58.859 56.287 0.129 0.000 0.980 473 K CB -0.358 32.177 32.500 0.059 0.000 0.738 473 K HN 0.402 nan 8.250 nan 0.000 0.451 474 E N 0.042 120.321 120.200 0.132 0.000 2.033 474 E HA -0.189 4.162 4.350 0.001 0.000 0.199 474 E C 2.141 178.825 176.600 0.140 0.000 1.011 474 E CA 1.254 57.722 56.400 0.113 0.000 0.815 474 E CB -0.020 29.738 29.700 0.097 0.000 0.755 474 E HN 0.219 nan 8.360 nan 0.000 0.451 475 R N -0.509 120.116 120.500 0.209 0.000 2.189 475 R HA -0.046 4.295 4.340 0.001 0.000 0.218 475 R C 0.702 177.145 176.300 0.237 0.000 1.074 475 R CA 0.431 56.644 56.100 0.190 0.000 0.991 475 R CB -0.036 30.376 30.300 0.186 0.000 0.883 475 R HN 0.328 nan 8.270 nan 0.000 0.457 476 W N 3.241 124.584 121.300 0.072 0.000 2.391 476 W HA 0.227 4.888 4.660 0.002 0.000 0.312 476 W C -1.061 175.477 176.519 0.033 0.000 1.003 476 W CA -0.536 56.837 57.345 0.046 0.000 1.375 476 W CB 0.840 30.351 29.460 0.084 0.000 1.253 476 W HN -0.019 nan 8.180 nan 0.000 0.416 477 Q N 5.648 125.340 119.800 -0.181 0.000 2.444 477 Q HA 0.512 4.853 4.340 0.001 0.000 0.251 477 Q C -1.624 174.220 176.000 -0.260 0.000 0.939 477 Q CA -0.588 55.128 55.803 -0.146 0.000 0.740 477 Q CB 1.660 30.375 28.738 -0.039 0.000 1.308 477 Q HN 0.513 nan 8.270 nan 0.000 0.461 478 R N 0.329 120.649 120.500 -0.299 0.000 2.808 478 R HA 0.460 4.801 4.340 0.001 0.000 0.272 478 R C -0.701 175.513 176.300 -0.142 0.000 0.995 478 R CA -0.458 55.494 56.100 -0.246 0.000 0.917 478 R CB 1.541 31.633 30.300 -0.346 0.000 1.217 478 R HN 0.719 nan 8.270 nan 0.000 0.471 479 T N 0.145 114.632 114.554 -0.111 0.000 2.891 479 T HA 0.079 4.430 4.350 0.001 0.000 0.296 479 T C -1.998 172.653 174.700 -0.082 0.000 1.025 479 T CA -0.970 61.082 62.100 -0.079 0.000 1.149 479 T CB 0.061 68.885 68.868 -0.072 0.000 1.007 479 T HN 0.189 nan 8.240 nan 0.000 0.528 480 P HA 0.164 nan 4.420 nan 0.000 0.270 480 P C 0.902 178.121 177.300 -0.135 0.000 1.227 480 P CA -0.432 62.645 63.100 -0.037 0.000 0.788 480 P CB 0.368 32.063 31.700 -0.008 0.000 0.926 481 S N 0.236 115.827 115.700 -0.181 0.000 2.356 481 S HA -0.170 4.300 4.470 0.001 0.000 0.223 481 S C 1.693 176.006 174.600 -0.479 0.000 1.032 481 S CA 1.036 58.919 58.200 -0.527 0.000 1.005 481 S CB -0.912 62.023 63.200 -0.442 0.000 0.867 481 S HN 0.533 nan 8.310 nan 0.000 0.449 482 N N 1.010 119.621 118.700 -0.149 0.000 2.161 482 N HA -0.218 4.523 4.740 0.001 0.000 0.199 482 N C 1.628 177.126 175.510 -0.020 0.000 0.990 482 N CA 1.703 54.740 53.050 -0.022 0.000 0.902 482 N CB -0.382 38.109 38.487 0.006 0.000 1.074 482 N HN 0.406 nan 8.380 nan 0.000 0.556 483 E N 0.744 120.910 120.200 -0.057 0.000 2.046 483 E HA -0.031 4.320 4.350 0.001 0.000 0.190 483 E C 2.387 178.972 176.600 -0.024 0.000 0.982 483 E CA 0.280 56.664 56.400 -0.027 0.000 0.800 483 E CB -0.426 29.256 29.700 -0.029 0.000 0.756 483 E HN 0.342 nan 8.360 nan 0.000 0.449 484 L N 0.254 121.414 121.223 -0.105 0.000 2.127 484 L HA -0.211 4.130 4.340 0.001 0.000 0.211 484 L C 2.134 179.088 176.870 0.140 0.000 1.089 484 L CA 1.101 55.905 54.840 -0.059 0.000 0.757 484 L CB -0.201 41.748 42.059 -0.184 0.000 0.899 484 L HN 0.158 nan 8.230 nan 0.000 0.434 485 Y N -0.452 119.872 120.300 0.039 0.000 2.503 485 Y HA -0.077 4.474 4.550 0.001 0.000 0.278 485 Y C 2.269 178.204 175.900 0.059 0.000 1.111 485 Y CA 0.328 58.456 58.100 0.048 0.000 1.270 485 Y CB -0.744 37.746 38.460 0.050 0.000 1.063 485 Y HN 0.261 nan 8.280 nan 0.000 0.548 486 K N 0.280 120.796 120.400 0.193 0.000 2.074 486 K HA -0.163 4.158 4.320 0.001 0.000 0.209 486 K C -0.985 175.688 176.600 0.121 0.000 1.048 486 K CA 1.694 58.061 56.287 0.133 0.000 0.926 486 K CB -1.800 30.751 32.500 0.086 0.000 0.713 486 K HN 0.131 nan 8.250 nan 0.000 0.444 487 P HA -0.165 nan 4.420 nan 0.000 0.214 487 P C 1.348 178.732 177.300 0.140 0.000 1.163 487 P CA 1.297 64.461 63.100 0.106 0.000 0.889 487 P CB -0.011 31.749 31.700 0.099 0.000 0.790 488 L N -1.292 120.036 121.223 0.174 0.000 2.056 488 L HA -0.130 4.211 4.340 0.001 0.000 0.207 488 L C 2.621 179.673 176.870 0.304 0.000 1.078 488 L CA 1.472 56.464 54.840 0.252 0.000 0.749 488 L CB -0.596 41.531 42.059 0.114 0.000 0.901 488 L HN -0.145 nan 8.230 nan 0.000 0.433 489 R N -0.310 120.315 120.500 0.208 0.000 2.193 489 R HA -0.109 4.231 4.340 0.001 0.000 0.229 489 R C 2.268 178.642 176.300 0.123 0.000 1.110 489 R CA 1.104 57.311 56.100 0.179 0.000 0.988 489 R CB -0.267 30.121 30.300 0.147 0.000 0.871 489 R HN 0.372 nan 8.270 nan 0.000 0.458 490 A N 0.578 123.454 122.820 0.093 0.000 1.975 490 A HA -0.079 4.242 4.320 0.001 0.000 0.215 490 A C 1.742 179.307 177.584 -0.032 0.000 1.170 490 A CA 0.693 52.748 52.037 0.031 0.000 0.656 490 A CB -0.048 18.967 19.000 0.026 0.000 0.821 490 A HN 0.232 nan 8.150 nan 0.000 0.449 491 E N -0.179 120.010 120.200 -0.018 0.000 2.077 491 E HA -0.128 4.223 4.350 0.001 0.000 0.193 491 E C 2.106 178.534 176.600 -0.286 0.000 0.989 491 E CA 0.815 57.089 56.400 -0.209 0.000 0.800 491 E CB -0.341 29.321 29.700 -0.063 0.000 0.746 491 E HN 0.600 nan 8.360 nan 0.000 0.452 492 G N 0.849 109.635 108.800 -0.023 0.000 2.545 492 G HA2 -0.386 3.575 3.960 0.001 0.000 0.217 492 G HA3 -0.386 3.575 3.960 0.001 0.000 0.217 492 G C 1.771 176.686 174.900 0.026 0.000 1.218 492 G CA 1.860 46.991 45.100 0.052 0.000 0.787 492 G HN 0.444 nan 8.290 nan 0.000 0.571 493 T N -1.207 113.354 114.554 0.012 0.000 2.962 493 T HA -0.077 4.273 4.350 0.001 0.000 0.270 493 T C 2.007 176.689 174.700 -0.030 0.000 1.088 493 T CA 1.682 63.787 62.100 0.008 0.000 1.127 493 T CB -0.370 68.504 68.868 0.011 0.000 0.883 493 T HN 0.387 nan 8.240 nan 0.000 0.493 494 N N 0.164 118.798 118.700 -0.111 0.000 2.039 494 N HA 0.014 4.754 4.740 0.001 0.000 0.193 494 N C 1.527 176.953 175.510 -0.140 0.000 1.044 494 N CA 1.594 54.537 53.050 -0.180 0.000 0.847 494 N CB -0.481 37.806 38.487 -0.332 0.000 1.030 494 N HN 0.472 nan 8.380 nan 0.000 0.422 495 F N 0.280 120.150 119.950 -0.133 0.000 2.147 495 F HA -0.222 4.306 4.527 0.001 0.000 0.301 495 F C 2.560 178.324 175.800 -0.060 0.000 1.084 495 F CA 0.782 58.703 58.000 -0.131 0.000 1.268 495 F CB -0.061 38.792 39.000 -0.245 0.000 1.009 495 F HN 0.043 nan 8.300 nan 0.000 0.486 496 R N 0.319 120.904 120.500 0.140 0.000 2.091 496 R HA -0.124 4.217 4.340 0.001 0.000 0.238 496 R C 2.085 178.428 176.300 0.072 0.000 1.136 496 R CA 2.029 58.184 56.100 0.091 0.000 0.959 496 R CB -0.988 29.348 30.300 0.060 0.000 0.856 496 R HN 0.114 nan 8.270 nan 0.000 0.437 497 T N -0.491 114.091 114.554 0.047 0.000 2.821 497 T HA -0.070 4.281 4.350 0.001 0.000 0.267 497 T C 1.780 176.510 174.700 0.049 0.000 1.046 497 T CA 1.308 63.426 62.100 0.030 0.000 1.139 497 T CB -0.184 68.684 68.868 0.000 0.000 0.871 497 T HN -0.014 nan 8.240 nan 0.000 0.454 498 V N 1.576 121.540 119.914 0.084 0.000 2.343 498 V HA -0.101 4.020 4.120 0.001 0.000 0.247 498 V C 2.470 178.663 176.094 0.165 0.000 1.051 498 V CA 1.390 63.773 62.300 0.137 0.000 1.036 498 V CB -0.612 31.339 31.823 0.214 0.000 0.654 498 V HN 0.454 nan 8.190 nan 0.000 0.451 499 L N -0.234 121.091 121.223 0.170 0.000 2.046 499 L HA -0.202 4.139 4.340 0.001 0.000 0.208 499 L C 2.299 179.238 176.870 0.115 0.000 1.077 499 L CA 1.665 56.610 54.840 0.176 0.000 0.747 499 L CB -0.771 41.380 42.059 0.153 0.000 0.896 499 L HN 0.351 nan 8.230 nan 0.000 0.432 500 D N -0.222 120.222 120.400 0.073 0.000 2.178 500 D HA -0.145 4.496 4.640 0.001 0.000 0.201 500 D C 2.152 178.461 176.300 0.015 0.000 0.980 500 D CA 0.911 54.936 54.000 0.042 0.000 0.842 500 D CB -0.016 40.802 40.800 0.030 0.000 0.948 500 D HN 0.049 nan 8.370 nan 0.000 0.472 501 K N 0.661 121.059 120.400 -0.004 0.000 2.103 501 K HA 0.154 4.474 4.320 0.001 0.000 0.204 501 K C 1.921 178.456 176.600 -0.110 0.000 1.052 501 K CA 0.895 57.148 56.287 -0.056 0.000 0.945 501 K CB -0.733 31.725 32.500 -0.070 0.000 0.722 501 K HN 0.067 nan 8.250 nan 0.000 0.443 502 A N 0.624 123.371 122.820 -0.122 0.000 1.902 502 A HA -0.132 4.189 4.320 0.001 0.000 0.217 502 A C 2.386 179.962 177.584 -0.015 0.000 1.181 502 A CA 1.743 53.656 52.037 -0.205 0.000 0.623 502 A CB -0.814 18.096 19.000 -0.151 0.000 0.818 502 A HN 0.043 nan 8.150 nan 0.000 0.443 503 V N -0.333 119.622 119.914 0.068 0.000 2.287 503 V HA -0.320 3.801 4.120 0.001 0.000 0.248 503 V C 2.749 178.857 176.094 0.023 0.000 1.053 503 V CA 2.472 64.816 62.300 0.073 0.000 1.027 503 V CB -0.761 31.100 31.823 0.064 0.000 0.646 503 V HN 0.713 nan 8.190 nan 0.000 0.447 504 Q N -0.087 119.710 119.800 -0.004 0.000 2.084 504 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 504 Q C 2.194 178.174 176.000 -0.032 0.000 0.978 504 Q CA 2.120 57.912 55.803 -0.018 0.000 0.844 504 Q CB -0.535 28.186 28.738 -0.027 0.000 0.898 504 Q HN 0.637 nan 8.270 nan 0.000 0.426 505 A N 0.682 123.464 122.820 -0.065 0.000 1.883 505 A HA -0.251 4.070 4.320 0.001 0.000 0.217 505 A C 1.748 179.305 177.584 -0.044 0.000 1.186 505 A CA 1.917 53.903 52.037 -0.086 0.000 0.624 505 A CB -0.951 17.942 19.000 -0.177 0.000 0.822 505 A HN 0.475 nan 8.150 nan 0.000 0.444 506 D N -0.182 120.215 120.400 -0.006 0.000 2.149 506 D HA -0.145 4.496 4.640 0.001 0.000 0.194 506 D C 2.011 178.317 176.300 0.010 0.000 1.001 506 D CA 1.569 55.586 54.000 0.028 0.000 0.849 506 D CB -0.922 39.921 40.800 0.071 0.000 0.939 506 D HN 0.466 nan 8.370 nan 0.000 0.449 507 G N 0.899 109.703 108.800 0.006 0.000 2.440 507 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 507 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 507 G C 1.484 176.387 174.900 0.004 0.000 1.154 507 G CA 0.758 45.861 45.100 0.005 0.000 0.767 507 G HN 0.261 nan 8.290 nan 0.000 0.552 508 Q N 0.203 120.000 119.800 -0.005 0.000 2.079 508 Q HA -0.024 4.317 4.340 0.001 0.000 0.200 508 Q C 2.871 178.878 176.000 0.011 0.000 0.974 508 Q CA 1.171 56.972 55.803 -0.003 0.000 0.840 508 Q CB -0.807 27.922 28.738 -0.015 0.000 0.898 508 Q HN 0.432 nan 8.270 nan 0.000 0.430 509 V N 1.570 121.488 119.914 0.007 0.000 2.358 509 V HA -0.214 3.907 4.120 0.001 0.000 0.246 509 V C 2.374 178.503 176.094 0.058 0.000 1.047 509 V CA 1.670 63.982 62.300 0.020 0.000 1.035 509 V CB -0.480 31.336 31.823 -0.011 0.000 0.658 509 V HN 0.274 nan 8.190 nan 0.000 0.452 510 K N -0.040 120.386 120.400 0.043 0.000 2.009 510 K HA -0.268 4.053 4.320 0.001 0.000 0.210 510 K C 2.272 178.959 176.600 0.145 0.000 1.049 510 K CA 2.122 58.469 56.287 0.100 0.000 0.929 510 K CB -0.182 32.353 32.500 0.058 0.000 0.714 510 K HN 0.523 nan 8.250 nan 0.000 0.440 511 E N 0.169 120.406 120.200 0.061 0.000 2.110 511 E HA -0.234 4.117 4.350 0.001 0.000 0.193 511 E C 2.074 178.658 176.600 -0.028 0.000 0.988 511 E CA 1.328 57.737 56.400 0.015 0.000 0.804 511 E CB -0.085 29.612 29.700 -0.005 0.000 0.745 511 E HN 0.399 nan 8.360 nan 0.000 0.458 512 C N 0.079 119.381 119.300 0.004 0.000 2.453 512 C HA -0.150 4.311 4.460 0.001 0.000 0.277 512 C C 2.606 177.602 174.990 0.010 0.000 1.262 512 C CA 1.138 60.143 59.018 -0.022 0.000 1.718 512 C CB -1.328 26.464 27.740 0.086 0.000 2.031 512 C HN 0.721 nan 8.230 nan 0.000 0.480 513 Y N 2.416 122.705 120.300 -0.017 0.000 2.165 513 Y HA -0.252 4.299 4.550 0.001 0.000 0.286 513 Y C 2.487 178.386 175.900 -0.001 0.000 1.155 513 Y CA 2.528 60.636 58.100 0.013 0.000 1.164 513 Y CB -0.753 37.710 38.460 0.006 0.000 0.978 513 Y HN 0.651 nan 8.280 nan 0.000 0.513 514 Q N -1.301 118.390 119.800 -0.181 0.000 2.389 514 Q HA 0.009 4.349 4.340 0.001 0.000 0.204 514 Q C 2.128 177.990 176.000 -0.231 0.000 0.944 514 Q CA 1.124 56.732 55.803 -0.325 0.000 0.908 514 Q CB -0.239 28.422 28.738 -0.129 0.000 1.002 514 Q HN 0.286 nan 8.270 nan 0.000 0.493 515 S N -0.532 115.017 115.700 -0.251 0.000 2.522 515 S HA -0.012 4.458 4.470 0.001 0.000 0.227 515 S C 0.492 174.859 174.600 -0.388 0.000 0.986 515 S CA 0.624 58.611 58.200 -0.354 0.000 0.929 515 S CB -0.048 62.847 63.200 -0.507 0.000 0.769 515 S HN 0.691 nan 8.310 nan 0.000 0.529 516 H N -1.311 117.719 119.070 -0.068 0.000 3.233 516 H HA 0.348 4.905 4.556 0.001 0.000 0.263 516 H C 1.873 177.164 175.328 -0.062 0.000 1.168 516 H CA -0.386 55.639 56.048 -0.038 0.000 1.159 516 H CB 0.360 30.125 29.762 0.006 0.000 1.593 516 H HN 0.062 nan 8.280 nan 0.000 0.580 517 R N 1.450 121.897 120.500 -0.089 0.000 2.097 517 R HA -0.177 4.164 4.340 0.001 0.000 0.236 517 R C 0.628 176.904 176.300 -0.040 0.000 1.135 517 R CA 2.477 58.490 56.100 -0.145 0.000 0.934 517 R CB -0.096 29.996 30.300 -0.347 0.000 0.846 517 R HN 0.298 nan 8.270 nan 0.000 0.431 518 D N -0.875 119.503 120.400 -0.038 0.000 2.097 518 D HA -0.106 4.535 4.640 0.001 0.000 0.195 518 D C 1.834 178.139 176.300 0.008 0.000 0.989 518 D CA 2.041 56.032 54.000 -0.016 0.000 0.827 518 D CB -0.204 40.585 40.800 -0.018 0.000 0.966 518 D HN 0.317 nan 8.370 nan 0.000 0.456 519 T N 0.463 115.034 114.554 0.027 0.000 2.708 519 T HA -0.106 4.244 4.350 0.001 0.000 0.266 519 T C 2.124 176.843 174.700 0.033 0.000 1.037 519 T CA 0.626 62.746 62.100 0.033 0.000 1.146 519 T CB -0.334 68.562 68.868 0.047 0.000 0.865 519 T HN 0.147 nan 8.240 nan 0.000 0.435 520 I N 0.989 121.591 120.570 0.053 0.000 2.194 520 I HA -0.196 3.975 4.170 0.001 0.000 0.246 520 I C 2.475 178.599 176.117 0.011 0.000 1.093 520 I CA 1.057 62.389 61.300 0.053 0.000 1.355 520 I CB -0.516 37.568 38.000 0.139 0.000 1.046 520 I HN 0.098 nan 8.210 nan 0.000 0.413 521 V N 0.539 120.463 119.914 0.018 0.000 2.407 521 V HA -0.274 3.847 4.120 0.001 0.000 0.248 521 V C 2.321 178.411 176.094 -0.006 0.000 1.055 521 V CA 1.527 63.831 62.300 0.007 0.000 1.049 521 V CB -0.549 31.280 31.823 0.009 0.000 0.662 521 V HN 0.348 nan 8.190 nan 0.000 0.455 522 L N 0.093 121.314 121.223 -0.002 0.000 1.955 522 L HA -0.173 4.167 4.340 0.001 0.000 0.213 522 L C 2.278 179.138 176.870 -0.016 0.000 1.072 522 L CA 2.162 56.999 54.840 -0.006 0.000 0.755 522 L CB -1.029 41.030 42.059 0.001 0.000 0.888 522 L HN 0.294 nan 8.230 nan 0.000 0.432 523 L N -0.299 120.913 121.223 -0.018 0.000 2.151 523 L HA -0.288 4.053 4.340 0.001 0.000 0.215 523 L C 2.249 179.084 176.870 -0.059 0.000 1.084 523 L CA 2.068 56.889 54.840 -0.032 0.000 0.764 523 L CB -0.839 41.205 42.059 -0.025 0.000 0.891 523 L HN 0.502 nan 8.230 nan 0.000 0.435 524 C N -0.514 118.744 119.300 -0.070 0.000 2.576 524 C HA 0.077 4.538 4.460 0.001 0.000 0.267 524 C C 1.247 176.210 174.990 -0.045 0.000 1.364 524 C CA -0.637 58.333 59.018 -0.080 0.000 1.723 524 C CB -1.545 26.142 27.740 -0.088 0.000 1.778 524 C HN 0.299 nan 8.230 nan 0.000 0.572 525 K N 1.914 122.295 120.400 -0.031 0.000 2.237 525 K HA 0.238 4.558 4.320 0.001 0.000 0.270 525 K C -2.329 174.259 176.600 -0.021 0.000 1.015 525 K CA -1.120 55.155 56.287 -0.020 0.000 0.949 525 K CB -0.003 32.488 32.500 -0.014 0.000 0.976 525 K HN -0.011 nan 8.250 nan 0.000 0.472 526 P HA -0.157 nan 4.420 nan 0.000 0.269 526 P C 0.633 177.924 177.300 -0.015 0.000 1.205 526 P CA 0.296 63.388 63.100 -0.014 0.000 0.780 526 P CB 0.473 32.167 31.700 -0.009 0.000 0.858 527 E N 3.446 123.637 120.200 -0.015 0.000 2.070 527 E HA -0.205 4.146 4.350 0.001 0.000 0.197 527 E C -0.860 175.732 176.600 -0.012 0.000 1.004 527 E CA 1.767 58.158 56.400 -0.015 0.000 0.805 527 E CB -1.237 28.454 29.700 -0.015 0.000 0.744 527 E HN 0.361 nan 8.360 nan 0.000 0.451 528 P HA -0.119 nan 4.420 nan 0.000 0.217 528 P C 1.257 178.553 177.300 -0.006 0.000 1.154 528 P CA 1.348 64.443 63.100 -0.007 0.000 0.841 528 P CB -0.114 31.582 31.700 -0.006 0.000 0.788 529 E N -0.330 119.866 120.200 -0.007 0.000 2.097 529 E HA -0.207 4.144 4.350 0.001 0.000 0.196 529 E C 1.938 178.534 176.600 -0.007 0.000 1.000 529 E CA 0.941 57.338 56.400 -0.006 0.000 0.804 529 E CB -0.466 29.231 29.700 -0.006 0.000 0.740 529 E HN 0.006 nan 8.360 nan 0.000 0.454 530 L N 1.351 122.568 121.223 -0.009 0.000 2.156 530 L HA -0.100 4.240 4.340 0.001 0.000 0.208 530 L C 1.802 178.667 176.870 -0.008 0.000 1.095 530 L CA 1.777 56.611 54.840 -0.010 0.000 0.770 530 L CB -0.732 41.317 42.059 -0.015 0.000 0.914 530 L HN 0.182 nan 8.230 nan 0.000 0.439 531 N N -0.440 118.256 118.700 -0.008 0.000 2.188 531 N HA -0.169 4.571 4.740 0.001 0.000 0.184 531 N C 1.794 177.302 175.510 -0.004 0.000 1.018 531 N CA 1.056 54.102 53.050 -0.006 0.000 0.858 531 N CB 0.085 38.568 38.487 -0.006 0.000 0.989 531 N HN 0.493 nan 8.380 nan 0.000 0.426 532 A N 0.771 123.589 122.820 -0.003 0.000 1.978 532 A HA -0.013 4.307 4.320 0.001 0.000 0.220 532 A C 2.125 179.708 177.584 -0.001 0.000 1.170 532 A CA 1.707 53.743 52.037 -0.002 0.000 0.636 532 A CB -0.551 18.448 19.000 -0.002 0.000 0.810 532 A HN 0.457 nan 8.150 nan 0.000 0.448 533 A N -0.909 121.910 122.820 -0.002 0.000 2.178 533 A HA 0.388 4.709 4.320 0.001 0.000 0.211 533 A C 0.796 178.381 177.584 0.001 0.000 1.157 533 A CA -0.036 52.001 52.037 -0.000 0.000 0.780 533 A CB -0.246 18.753 19.000 -0.001 0.000 0.828 533 A HN 0.440 nan 8.150 nan 0.000 0.476 534 I N 1.509 122.079 120.570 0.000 0.000 2.342 534 I HA 0.252 4.423 4.170 0.001 0.000 0.291 534 I C -2.467 173.652 176.117 0.003 0.000 1.010 534 I CA -2.207 59.094 61.300 0.002 0.000 1.308 534 I CB 1.339 39.340 38.000 0.001 0.000 1.400 534 I HN -0.003 nan 8.210 nan 0.000 0.488 535 P HA 0.107 nan 4.420 nan 0.000 0.271 535 P C -0.571 176.732 177.300 0.006 0.000 1.216 535 P CA -0.359 62.744 63.100 0.005 0.000 0.776 535 P CB 0.707 32.410 31.700 0.006 0.000 0.881 536 S N 1.250 116.953 115.700 0.005 0.000 2.646 536 S HA 0.837 5.308 4.470 0.001 0.000 0.276 536 S C -0.333 174.270 174.600 0.005 0.000 1.222 536 S CA -0.630 57.573 58.200 0.005 0.000 1.014 536 S CB 1.229 64.431 63.200 0.003 0.000 0.991 536 S HN 0.628 nan 8.310 nan 0.000 0.533 537 A N 1.339 124.163 122.820 0.006 0.000 2.587 537 A HA 0.715 5.036 4.320 0.001 0.000 0.293 537 A C -1.160 176.427 177.584 0.004 0.000 1.087 537 A CA -1.189 50.851 52.037 0.005 0.000 0.692 537 A CB 0.776 19.781 19.000 0.008 0.000 1.291 537 A HN 0.788 nan 8.150 nan 0.000 0.407 538 N N 2.122 120.823 118.700 0.001 0.000 2.497 538 N HA 0.508 5.249 4.740 0.001 0.000 0.271 538 N C -2.442 173.068 175.510 0.000 0.000 1.142 538 N CA -0.724 52.326 53.050 -0.000 0.000 0.965 538 N CB 0.521 39.006 38.487 -0.003 0.000 1.077 538 N HN 0.500 nan 8.380 nan 0.000 0.462 539 P HA 0.191 nan 4.420 nan 0.000 0.277 539 P C -1.124 176.172 177.300 -0.007 0.000 1.240 539 P CA -0.642 62.461 63.100 0.004 0.000 0.798 539 P CB 0.725 32.432 31.700 0.011 0.000 0.979 540 A N 2.861 125.671 122.820 -0.016 0.000 2.666 540 A HA 0.101 4.422 4.320 0.001 0.000 0.301 540 A C 1.268 178.838 177.584 -0.024 0.000 1.470 540 A CA -0.304 51.712 52.037 -0.035 0.000 1.159 540 A CB -0.686 18.270 19.000 -0.073 0.000 1.116 540 A HN 0.460 nan 8.150 nan 0.000 0.548 541 K N 0.801 121.192 120.400 -0.016 0.000 2.280 541 K HA -0.079 4.242 4.320 0.001 0.000 0.202 541 K C 1.085 177.684 176.600 -0.001 0.000 1.047 541 K CA 1.653 57.938 56.287 -0.004 0.000 0.942 541 K CB 0.033 32.530 32.500 -0.004 0.000 0.739 541 K HN 0.675 nan 8.250 nan 0.000 0.457 542 T N 1.067 115.615 114.554 -0.010 0.000 3.215 542 T HA -0.007 4.344 4.350 0.001 0.000 0.254 542 T C 0.968 175.674 174.700 0.010 0.000 1.149 542 T CA 0.283 62.380 62.100 -0.005 0.000 1.042 542 T CB -0.086 68.773 68.868 -0.015 0.000 0.966 542 T HN 0.193 nan 8.240 nan 0.000 0.534 543 M N 1.802 121.416 119.600 0.022 0.000 2.941 543 M HA 0.068 4.548 4.480 0.001 0.000 0.199 543 M C 1.655 177.990 176.300 0.058 0.000 1.245 543 M CA 0.034 55.374 55.300 0.066 0.000 1.137 543 M CB -0.245 32.415 32.600 0.101 0.000 1.712 543 M HN 0.122 nan 8.290 nan 0.000 0.433 544 Q N 0.666 120.488 119.800 0.037 0.000 1.856 544 Q HA -0.031 4.310 4.340 0.001 0.000 0.228 544 Q C 1.056 177.076 176.000 0.032 0.000 0.987 544 Q CA 2.270 58.090 55.803 0.028 0.000 0.873 544 Q CB -0.131 28.618 28.738 0.018 0.000 0.928 544 Q HN 0.556 nan 8.270 nan 0.000 0.425 545 G N -0.068 108.751 108.800 0.030 0.000 4.803 545 G HA2 0.292 4.253 3.960 0.001 0.000 0.266 545 G HA3 0.292 4.253 3.960 0.001 0.000 0.266 545 G C -0.892 174.028 174.900 0.035 0.000 1.111 545 G CA -0.142 44.976 45.100 0.029 0.000 0.874 545 G HN 0.277 nan 8.290 nan 0.000 0.555 546 S N -0.156 115.576 115.700 0.052 0.000 2.560 546 S HA 0.056 4.527 4.470 0.001 0.000 0.284 546 S C 1.486 176.121 174.600 0.058 0.000 1.327 546 S CA -0.170 58.066 58.200 0.060 0.000 1.055 546 S CB 1.171 64.425 63.200 0.090 0.000 0.868 546 S HN 0.541 nan 8.310 nan 0.000 0.506 547 E N 2.716 122.944 120.200 0.047 0.000 2.153 547 E HA -0.120 4.230 4.350 0.001 0.000 0.194 547 E C 1.614 178.241 176.600 0.045 0.000 0.988 547 E CA 1.303 57.725 56.400 0.037 0.000 0.811 547 E CB 0.004 29.721 29.700 0.028 0.000 0.746 547 E HN 0.658 nan 8.360 nan 0.000 0.466 548 V N 0.441 120.401 119.914 0.077 0.000 2.594 548 V HA -0.192 3.929 4.120 0.001 0.000 0.253 548 V C 2.322 178.454 176.094 0.064 0.000 1.069 548 V CA 0.989 63.350 62.300 0.102 0.000 1.082 548 V CB -0.245 31.694 31.823 0.193 0.000 0.680 548 V HN 0.134 nan 8.190 nan 0.000 0.469 549 V N 0.325 120.281 119.914 0.069 0.000 2.273 549 V HA -0.131 3.989 4.120 0.001 0.000 0.242 549 V C 2.379 178.449 176.094 -0.041 0.000 1.035 549 V CA 1.858 64.148 62.300 -0.016 0.000 1.013 549 V CB -0.712 31.145 31.823 0.057 0.000 0.652 549 V HN 0.480 nan 8.190 nan 0.000 0.452 550 N N 0.371 119.066 118.700 -0.007 0.000 2.104 550 N HA -0.146 4.595 4.740 0.001 0.000 0.190 550 N C 1.786 177.284 175.510 -0.019 0.000 1.024 550 N CA 1.365 54.407 53.050 -0.013 0.000 0.853 550 N CB -0.577 37.910 38.487 -0.001 0.000 1.008 550 N HN 0.297 nan 8.380 nan 0.000 0.424 551 V N 1.777 121.684 119.914 -0.012 0.000 2.231 551 V HA -0.228 3.893 4.120 0.001 0.000 0.248 551 V C 2.476 178.552 176.094 -0.030 0.000 1.054 551 V CA 1.389 63.681 62.300 -0.012 0.000 1.015 551 V CB -0.564 31.260 31.823 0.002 0.000 0.638 551 V HN 0.250 nan 8.190 nan 0.000 0.444 552 L N -0.611 120.578 121.223 -0.056 0.000 1.989 552 L HA -0.260 4.081 4.340 0.001 0.000 0.211 552 L C 2.647 179.469 176.870 -0.081 0.000 1.071 552 L CA 2.041 56.828 54.840 -0.089 0.000 0.749 552 L CB -0.648 41.301 42.059 -0.185 0.000 0.890 552 L HN 0.307 nan 8.230 nan 0.000 0.431 553 K N -0.523 119.828 120.400 -0.081 0.000 2.015 553 K HA -0.264 4.056 4.320 0.001 0.000 0.216 553 K C 2.384 178.959 176.600 -0.042 0.000 1.052 553 K CA 2.194 58.444 56.287 -0.062 0.000 0.937 553 K CB -0.259 32.211 32.500 -0.050 0.000 0.719 553 K HN 0.109 nan 8.250 nan 0.000 0.446 554 S N 0.270 115.951 115.700 -0.031 0.000 2.382 554 S HA -0.101 4.370 4.470 0.001 0.000 0.228 554 S C 1.817 176.405 174.600 -0.021 0.000 1.027 554 S CA 0.853 59.040 58.200 -0.022 0.000 0.991 554 S CB -0.101 63.090 63.200 -0.015 0.000 0.823 554 S HN 0.175 nan 8.310 nan 0.000 0.469 555 L N 1.291 122.499 121.223 -0.025 0.000 2.141 555 L HA 0.077 4.418 4.340 0.001 0.000 0.209 555 L C 2.060 178.915 176.870 -0.025 0.000 1.094 555 L CA 1.369 56.196 54.840 -0.022 0.000 0.763 555 L CB -0.706 41.340 42.059 -0.021 0.000 0.908 555 L HN 0.348 nan 8.230 nan 0.000 0.437 556 L N -2.149 119.053 121.223 -0.035 0.000 2.131 556 L HA -0.109 4.231 4.340 0.001 0.000 0.206 556 L C 2.623 179.476 176.870 -0.028 0.000 1.087 556 L CA 1.025 55.843 54.840 -0.036 0.000 0.767 556 L CB -0.623 41.406 42.059 -0.050 0.000 0.917 556 L HN 0.235 nan 8.230 nan 0.000 0.441 557 S N 0.290 115.974 115.700 -0.026 0.000 2.383 557 S HA -0.179 4.292 4.470 0.001 0.000 0.229 557 S C 1.828 176.419 174.600 -0.014 0.000 1.030 557 S CA 1.568 59.756 58.200 -0.020 0.000 1.002 557 S CB -0.168 63.021 63.200 -0.018 0.000 0.829 557 S HN 0.431 nan 8.310 nan 0.000 0.467 558 N N 0.769 119.462 118.700 -0.013 0.000 2.333 558 N HA 0.034 4.774 4.740 0.001 0.000 0.178 558 N C 1.566 177.072 175.510 -0.007 0.000 1.018 558 N CA 0.617 53.661 53.050 -0.009 0.000 0.882 558 N CB -0.443 38.039 38.487 -0.008 0.000 0.984 558 N HN 0.339 nan 8.380 nan 0.000 0.434 559 L N 1.630 122.847 121.223 -0.010 0.000 2.093 559 L HA -0.074 4.267 4.340 0.001 0.000 0.208 559 L C 1.669 178.536 176.870 -0.005 0.000 1.085 559 L CA 1.664 56.499 54.840 -0.008 0.000 0.755 559 L CB -0.846 41.206 42.059 -0.013 0.000 0.904 559 L HN 0.003 nan 8.230 nan 0.000 0.435 560 D N -0.602 119.794 120.400 -0.007 0.000 2.088 560 D HA -0.274 4.367 4.640 0.001 0.000 0.191 560 D C 2.085 178.386 176.300 0.001 0.000 0.992 560 D CA 1.651 55.649 54.000 -0.003 0.000 0.831 560 D CB -0.039 40.756 40.800 -0.009 0.000 0.973 560 D HN 0.473 nan 8.370 nan 0.000 0.447 561 E N -0.455 119.744 120.200 -0.001 0.000 2.119 561 E HA -0.312 4.039 4.350 0.001 0.000 0.221 561 E C 2.107 178.709 176.600 0.004 0.000 1.062 561 E CA 2.152 58.553 56.400 0.002 0.000 0.894 561 E CB -0.284 29.416 29.700 -0.001 0.000 0.785 561 E HN 0.143 nan 8.360 nan 0.000 0.472 562 V N 1.760 121.676 119.914 0.003 0.000 2.282 562 V HA -0.339 3.782 4.120 0.001 0.000 0.249 562 V C 2.469 178.568 176.094 0.008 0.000 1.057 562 V CA 2.602 64.905 62.300 0.005 0.000 1.032 562 V CB -0.753 31.072 31.823 0.003 0.000 0.645 562 V HN 0.466 nan 8.190 nan 0.000 0.447 563 K N 0.512 120.917 120.400 0.009 0.000 2.228 563 K HA -0.167 4.154 4.320 0.001 0.000 0.202 563 K C 2.128 178.739 176.600 0.018 0.000 1.051 563 K CA 1.541 57.836 56.287 0.014 0.000 0.960 563 K CB -0.224 32.285 32.500 0.016 0.000 0.743 563 K HN 0.346 nan 8.250 nan 0.000 0.458 564 K N 1.638 122.048 120.400 0.017 0.000 2.211 564 K HA -0.127 4.194 4.320 0.001 0.000 0.203 564 K C 2.051 178.661 176.600 0.017 0.000 1.050 564 K CA 1.090 57.388 56.287 0.019 0.000 0.945 564 K CB 0.142 32.652 32.500 0.016 0.000 0.732 564 K HN 0.302 nan 8.250 nan 0.000 0.451 565 E N 0.513 120.721 120.200 0.014 0.000 2.208 565 E HA -0.141 4.210 4.350 0.001 0.000 0.193 565 E C 1.582 178.191 176.600 0.015 0.000 0.988 565 E CA 0.529 56.937 56.400 0.013 0.000 0.828 565 E CB 0.209 29.916 29.700 0.011 0.000 0.763 565 E HN 0.280 nan 8.360 nan 0.000 0.478 566 R N 0.382 120.891 120.500 0.015 0.000 2.189 566 R HA -0.103 4.237 4.340 0.001 0.000 0.223 566 R C 2.196 178.506 176.300 0.017 0.000 1.092 566 R CA 1.105 57.214 56.100 0.015 0.000 0.989 566 R CB -0.079 30.228 30.300 0.012 0.000 0.876 566 R HN 0.253 nan 8.270 nan 0.000 0.457 567 E N -0.042 120.169 120.200 0.018 0.000 2.047 567 E HA -0.112 4.239 4.350 0.001 0.000 0.191 567 E C 1.964 178.577 176.600 0.021 0.000 0.987 567 E CA 1.135 57.547 56.400 0.020 0.000 0.799 567 E CB -0.052 29.661 29.700 0.022 0.000 0.752 567 E HN 0.426 nan 8.360 nan 0.000 0.449 568 G N 0.355 109.167 108.800 0.021 0.000 2.511 568 G HA2 -0.156 3.805 3.960 0.001 0.000 0.217 568 G HA3 -0.156 3.805 3.960 0.001 0.000 0.217 568 G C 1.380 176.295 174.900 0.025 0.000 1.133 568 G CA 0.086 45.199 45.100 0.022 0.000 0.792 568 G HN 0.108 nan 8.290 nan 0.000 0.539 569 L N 0.710 121.948 121.223 0.025 0.000 1.988 569 L HA 0.053 4.394 4.340 0.001 0.000 0.207 569 L C 2.652 179.544 176.870 0.036 0.000 1.071 569 L CA 2.034 56.893 54.840 0.030 0.000 0.744 569 L CB -0.825 41.250 42.059 0.026 0.000 0.893 569 L HN 0.406 nan 8.230 nan 0.000 0.433 570 E N -0.579 119.638 120.200 0.028 0.000 2.171 570 E HA -0.270 4.081 4.350 0.001 0.000 0.197 570 E C 1.801 178.422 176.600 0.034 0.000 0.997 570 E CA 1.780 58.196 56.400 0.027 0.000 0.810 570 E CB -0.095 29.616 29.700 0.017 0.000 0.738 570 E HN 0.627 nan 8.360 nan 0.000 0.467 571 N N -0.252 118.467 118.700 0.033 0.000 2.300 571 N HA -0.099 4.642 4.740 0.001 0.000 0.179 571 N C 1.007 176.544 175.510 0.046 0.000 1.016 571 N CA 0.966 54.038 53.050 0.035 0.000 0.876 571 N CB 0.151 38.655 38.487 0.029 0.000 0.979 571 N HN 0.140 nan 8.380 nan 0.000 0.432 572 D N 0.338 120.768 120.400 0.049 0.000 2.249 572 D HA -0.027 4.614 4.640 0.001 0.000 0.205 572 D C 1.714 178.071 176.300 0.096 0.000 0.962 572 D CA 0.229 54.263 54.000 0.057 0.000 0.860 572 D CB -0.072 40.753 40.800 0.043 0.000 0.955 572 D HN 0.062 nan 8.370 nan 0.000 0.505 573 L N 0.800 122.088 121.223 0.109 0.000 2.083 573 L HA -0.082 4.258 4.340 0.001 0.000 0.209 573 L C 1.896 178.872 176.870 0.177 0.000 1.083 573 L CA 1.725 56.665 54.840 0.168 0.000 0.752 573 L CB -0.302 41.812 42.059 0.092 0.000 0.899 573 L HN -0.083 nan 8.230 nan 0.000 0.433 574 K N -2.034 118.429 120.400 0.105 0.000 2.211 574 K HA 0.084 4.405 4.320 0.001 0.000 0.201 574 K C 1.918 178.572 176.600 0.090 0.000 1.052 574 K CA 0.792 57.130 56.287 0.084 0.000 0.973 574 K CB 0.185 32.715 32.500 0.050 0.000 0.766 574 K HN 0.110 nan 8.250 nan 0.000 0.466 575 S N 0.278 116.026 115.700 0.079 0.000 2.528 575 S HA 0.042 4.513 4.470 0.001 0.000 0.219 575 S C 0.405 175.045 174.600 0.067 0.000 0.985 575 S CA -0.070 58.168 58.200 0.062 0.000 0.914 575 S CB 0.469 63.696 63.200 0.045 0.000 0.776 575 S HN 0.007 nan 8.310 nan 0.000 0.526 576 V N 3.641 123.606 119.914 0.086 0.000 2.612 576 V HA 0.589 4.710 4.120 0.001 0.000 0.301 576 V C -0.871 175.297 176.094 0.125 0.000 1.046 576 V CA -0.651 61.688 62.300 0.065 0.000 0.946 576 V CB 1.656 33.473 31.823 -0.010 0.000 1.003 576 V HN 0.614 nan 8.190 nan 0.000 0.459 577 N N 3.977 122.748 118.700 0.119 0.000 2.710 577 N HA 0.268 5.009 4.740 0.001 0.000 0.257 577 N C -1.940 173.700 175.510 0.217 0.000 1.327 577 N CA -0.526 52.647 53.050 0.205 0.000 0.861 577 N CB 1.863 40.490 38.487 0.234 0.000 1.532 577 N HN 0.434 nan 8.380 nan 0.000 0.499 578 F N 1.042 121.061 119.950 0.115 0.000 2.426 578 F HA 0.298 4.826 4.527 0.001 0.000 0.348 578 F C -0.077 175.742 175.800 0.033 0.000 1.124 578 F CA -0.676 57.346 58.000 0.036 0.000 1.008 578 F CB 1.032 40.029 39.000 -0.005 0.000 1.139 578 F HN 0.450 nan 8.300 nan 0.000 0.452 579 D N 5.051 125.199 120.400 -0.420 0.000 2.371 579 D HA 0.053 4.694 4.640 0.001 0.000 0.256 579 D C 0.381 176.361 176.300 -0.534 0.000 1.193 579 D CA 0.247 54.037 54.000 -0.350 0.000 0.881 579 D CB 1.307 41.919 40.800 -0.314 0.000 1.143 579 D HN 0.701 nan 8.370 nan 0.000 0.473 580 M N 2.425 121.821 119.600 -0.340 0.000 2.421 580 M HA 0.030 4.511 4.480 0.001 0.000 0.258 580 M C 1.714 177.733 176.300 -0.468 0.000 1.122 580 M CA 0.230 55.228 55.300 -0.504 0.000 1.078 580 M CB 0.104 32.206 32.600 -0.830 0.000 1.380 580 M HN 0.348 nan 8.290 nan 0.000 0.499 581 T N -0.381 114.100 114.554 -0.122 0.000 2.567 581 T HA -0.283 4.068 4.350 0.001 0.000 0.261 581 T C 1.852 176.552 174.700 0.001 0.000 1.123 581 T CA 2.433 64.572 62.100 0.064 0.000 1.166 581 T CB -0.895 68.000 68.868 0.045 0.000 0.860 581 T HN 0.562 nan 8.240 nan 0.000 0.436 582 S N 0.729 116.377 115.700 -0.086 0.000 2.370 582 S HA -0.212 4.259 4.470 0.001 0.000 0.226 582 S C 2.051 176.611 174.600 -0.067 0.000 1.033 582 S CA 2.170 60.332 58.200 -0.063 0.000 1.011 582 S CB -0.332 62.812 63.200 -0.092 0.000 0.852 582 S HN 0.472 nan 8.310 nan 0.000 0.457 583 K N 0.186 120.487 120.400 -0.166 0.000 2.057 583 K HA 0.001 4.322 4.320 0.001 0.000 0.207 583 K C 1.697 178.229 176.600 -0.113 0.000 1.049 583 K CA 1.873 58.057 56.287 -0.173 0.000 0.931 583 K CB -0.577 31.761 32.500 -0.271 0.000 0.714 583 K HN 0.579 nan 8.250 nan 0.000 0.440 584 F N -0.167 119.785 119.950 0.004 0.000 2.084 584 F HA -0.152 4.376 4.527 0.001 0.000 0.296 584 F C 2.039 177.846 175.800 0.011 0.000 1.111 584 F CA 0.195 58.199 58.000 0.006 0.000 1.224 584 F CB -0.435 38.566 39.000 0.002 0.000 0.991 584 F HN -0.020 nan 8.300 nan 0.000 0.471 585 L N 0.414 121.756 121.223 0.198 0.000 2.034 585 L HA -0.284 4.057 4.340 0.001 0.000 0.217 585 L C 2.417 179.337 176.870 0.084 0.000 1.077 585 L CA 2.078 56.986 54.840 0.114 0.000 0.769 585 L CB -1.184 40.920 42.059 0.075 0.000 0.890 585 L HN 0.121 nan 8.230 nan 0.000 0.435 586 T N -0.847 113.745 114.554 0.063 0.000 2.595 586 T HA -0.223 4.128 4.350 0.001 0.000 0.264 586 T C 1.815 176.551 174.700 0.061 0.000 1.058 586 T CA 1.579 63.707 62.100 0.047 0.000 1.166 586 T CB -0.597 68.287 68.868 0.027 0.000 0.863 586 T HN 0.502 nan 8.240 nan 0.000 0.415 587 A N 0.678 123.547 122.820 0.081 0.000 2.084 587 A HA -0.062 4.259 4.320 0.001 0.000 0.221 587 A C 2.172 179.804 177.584 0.080 0.000 1.161 587 A CA 1.246 53.335 52.037 0.087 0.000 0.653 587 A CB -0.638 18.436 19.000 0.124 0.000 0.802 587 A HN 0.407 nan 8.150 nan 0.000 0.457 588 L N -1.142 120.132 121.223 0.085 0.000 2.127 588 L HA 0.229 4.570 4.340 0.001 0.000 0.203 588 L C 2.620 179.520 176.870 0.050 0.000 1.080 588 L CA 1.831 56.710 54.840 0.065 0.000 0.768 588 L CB -0.871 41.228 42.059 0.067 0.000 0.924 588 L HN 0.274 nan 8.230 nan 0.000 0.444 589 A N -0.213 122.637 122.820 0.050 0.000 1.855 589 A HA -0.249 4.072 4.320 0.001 0.000 0.215 589 A C 2.186 179.791 177.584 0.036 0.000 1.191 589 A CA 1.794 53.856 52.037 0.041 0.000 0.613 589 A CB -0.777 18.246 19.000 0.039 0.000 0.829 589 A HN 0.695 nan 8.150 nan 0.000 0.442 590 Q N -0.499 119.322 119.800 0.036 0.000 1.990 590 Q HA -0.086 4.254 4.340 0.001 0.000 0.200 590 Q C 0.127 176.146 176.000 0.031 0.000 0.980 590 Q CA 1.322 57.143 55.803 0.031 0.000 0.832 590 Q CB -0.365 28.390 28.738 0.028 0.000 0.897 590 Q HN 0.456 nan 8.270 nan 0.000 0.427 591 D N -0.533 119.888 120.400 0.035 0.000 2.511 591 D HA 0.232 4.873 4.640 0.001 0.000 0.276 591 D C 0.981 177.300 176.300 0.033 0.000 1.220 591 D CA 0.224 54.243 54.000 0.033 0.000 1.077 591 D CB 0.588 41.410 40.800 0.036 0.000 1.126 591 D HN 0.275 nan 8.370 nan 0.000 0.583 592 G N -0.810 108.008 108.800 0.029 0.000 2.499 592 G HA2 0.129 4.090 3.960 0.001 0.000 0.213 592 G HA3 0.129 4.090 3.960 0.001 0.000 0.213 592 G C 0.542 175.458 174.900 0.026 0.000 1.230 592 G CA 1.156 46.272 45.100 0.026 0.000 0.813 592 G HN 0.376 nan 8.290 nan 0.000 0.542 593 V N -1.809 118.120 119.914 0.025 0.000 3.204 593 V HA 0.711 4.831 4.120 0.001 0.000 0.316 593 V C -0.339 175.773 176.094 0.031 0.000 1.160 593 V CA -1.611 60.702 62.300 0.022 0.000 1.044 593 V CB 1.706 33.536 31.823 0.012 0.000 1.136 593 V HN 0.198 nan 8.190 nan 0.000 0.455 594 I N 1.908 122.489 120.570 0.019 0.000 2.336 594 I HA 0.418 4.589 4.170 0.001 0.000 0.292 594 I C -0.473 175.654 176.117 0.016 0.000 0.991 594 I CA -0.140 61.180 61.300 0.033 0.000 1.227 594 I CB 1.218 39.209 38.000 -0.015 0.000 1.366 594 I HN 0.725 nan 8.210 nan 0.000 0.466 595 N N 4.552 123.282 118.700 0.050 0.000 2.609 595 N HA 0.113 4.854 4.740 0.001 0.000 0.234 595 N C 0.742 176.307 175.510 0.091 0.000 1.001 595 N CA -0.529 52.549 53.050 0.046 0.000 0.926 595 N CB 0.835 39.348 38.487 0.044 0.000 1.130 595 N HN 0.606 nan 8.380 nan 0.000 0.510 596 E N 1.924 122.165 120.200 0.069 0.000 2.107 596 E HA -0.151 4.200 4.350 0.001 0.000 0.191 596 E C 1.206 177.908 176.600 0.171 0.000 0.982 596 E CA 0.883 57.388 56.400 0.176 0.000 0.809 596 E CB -0.167 29.552 29.700 0.031 0.000 0.756 596 E HN 0.486 nan 8.360 nan 0.000 0.459 597 E N 0.998 121.258 120.200 0.100 0.000 2.072 597 E HA -0.325 4.026 4.350 0.001 0.000 0.218 597 E C 1.999 178.656 176.600 0.096 0.000 1.051 597 E CA 2.284 58.736 56.400 0.086 0.000 0.880 597 E CB -0.576 29.156 29.700 0.053 0.000 0.783 597 E HN 0.423 nan 8.360 nan 0.000 0.473 598 A N 0.177 123.047 122.820 0.082 0.000 2.016 598 A HA -0.077 4.243 4.320 0.001 0.000 0.217 598 A C 2.134 179.768 177.584 0.084 0.000 1.162 598 A CA 0.848 52.928 52.037 0.071 0.000 0.662 598 A CB -0.307 18.725 19.000 0.053 0.000 0.812 598 A HN 0.293 nan 8.150 nan 0.000 0.450 599 L N -0.304 120.990 121.223 0.118 0.000 2.240 599 L HA 0.013 4.354 4.340 0.001 0.000 0.211 599 L C 2.272 179.210 176.870 0.113 0.000 1.106 599 L CA 2.099 57.009 54.840 0.117 0.000 0.793 599 L CB -0.260 41.905 42.059 0.177 0.000 0.927 599 L HN 0.288 nan 8.230 nan 0.000 0.446 600 S N -1.884 113.928 115.700 0.187 0.000 2.387 600 S HA -0.039 4.431 4.470 0.001 0.000 0.221 600 S C 1.926 176.640 174.600 0.190 0.000 1.041 600 S CA 0.867 59.213 58.200 0.243 0.000 0.959 600 S CB -0.305 63.141 63.200 0.410 0.000 0.843 600 S HN 0.212 nan 8.310 nan 0.000 0.488 601 V N 3.063 123.060 119.914 0.139 0.000 2.370 601 V HA -0.251 3.870 4.120 0.001 0.000 0.252 601 V C 2.981 179.117 176.094 0.071 0.000 1.068 601 V CA 2.318 64.675 62.300 0.094 0.000 1.061 601 V CB -1.421 30.443 31.823 0.067 0.000 0.656 601 V HN 0.809 nan 8.190 nan 0.000 0.455 602 T N -2.627 111.957 114.554 0.051 0.000 2.942 602 T HA -0.132 4.219 4.350 0.001 0.000 0.265 602 T C 1.700 176.392 174.700 -0.014 0.000 1.062 602 T CA 1.398 63.507 62.100 0.015 0.000 1.139 602 T CB -0.106 68.763 68.868 0.001 0.000 0.883 602 T HN 0.413 nan 8.240 nan 0.000 0.468 603 E N 1.087 121.277 120.200 -0.017 0.000 2.122 603 E HA 0.211 4.562 4.350 0.001 0.000 0.190 603 E C 1.993 178.593 176.600 -0.001 0.000 0.977 603 E CA 0.406 56.744 56.400 -0.104 0.000 0.820 603 E CB -0.616 28.974 29.700 -0.184 0.000 0.770 603 E HN 0.504 nan 8.360 nan 0.000 0.462 604 L N 0.685 122.006 121.223 0.163 0.000 2.261 604 L HA -0.180 4.161 4.340 0.001 0.000 0.216 604 L C 1.552 178.544 176.870 0.203 0.000 1.114 604 L CA 1.092 56.102 54.840 0.284 0.000 0.777 604 L CB -0.187 42.010 42.059 0.230 0.000 0.910 604 L HN 0.158 nan 8.230 nan 0.000 0.440 605 D N -0.689 119.761 120.400 0.083 0.000 2.240 605 D HA -0.087 4.554 4.640 0.001 0.000 0.206 605 D C 2.293 178.593 176.300 -0.001 0.000 0.963 605 D CA 0.526 54.556 54.000 0.049 0.000 0.863 605 D CB 0.190 41.006 40.800 0.026 0.000 0.973 605 D HN -0.014 nan 8.370 nan 0.000 0.501 606 R N 0.256 120.721 120.500 -0.059 0.000 2.119 606 R HA -0.004 4.337 4.340 0.001 0.000 0.222 606 R C 1.802 178.008 176.300 -0.156 0.000 1.088 606 R CA 0.573 56.606 56.100 -0.113 0.000 0.984 606 R CB 0.030 30.227 30.300 -0.172 0.000 0.884 606 R HN 0.107 nan 8.270 nan 0.000 0.447 607 V N -0.744 119.050 119.914 -0.199 0.000 2.500 607 V HA -0.123 3.998 4.120 0.001 0.000 0.243 607 V C 1.224 177.047 176.094 -0.452 0.000 1.039 607 V CA 1.361 63.432 62.300 -0.381 0.000 1.053 607 V CB -0.333 31.177 31.823 -0.521 0.000 0.695 607 V HN 0.251 nan 8.190 nan 0.000 0.463 608 Y N 0.120 120.417 120.300 -0.006 0.000 2.444 608 Y HA 0.357 4.908 4.550 0.001 0.000 0.252 608 Y C 2.391 178.289 175.900 -0.004 0.000 1.091 608 Y CA 0.407 58.508 58.100 0.002 0.000 1.276 608 Y CB -0.184 38.280 38.460 0.007 0.000 1.170 608 Y HN 0.202 nan 8.280 nan 0.000 0.517 609 G N 0.521 109.386 108.800 0.109 0.000 2.469 609 G HA2 -0.288 3.672 3.960 0.001 0.000 0.220 609 G HA3 -0.288 3.672 3.960 0.001 0.000 0.220 609 G C 1.951 176.876 174.900 0.042 0.000 1.136 609 G CA 1.182 46.319 45.100 0.063 0.000 0.759 609 G HN 0.499 nan 8.290 nan 0.000 0.562 610 G N 0.629 109.442 108.800 0.023 0.000 2.422 610 G HA2 -0.106 3.854 3.960 0.001 0.000 0.218 610 G HA3 -0.106 3.854 3.960 0.001 0.000 0.218 610 G C 1.771 176.688 174.900 0.029 0.000 1.146 610 G CA 0.909 46.017 45.100 0.014 0.000 0.769 610 G HN 0.457 nan 8.290 nan 0.000 0.547 611 L N 0.721 121.976 121.223 0.053 0.000 2.168 611 L HA 0.044 4.385 4.340 0.001 0.000 0.203 611 L C 3.231 180.137 176.870 0.060 0.000 1.078 611 L CA 1.396 56.274 54.840 0.064 0.000 0.780 611 L CB -0.831 41.286 42.059 0.097 0.000 0.939 611 L HN 0.282 nan 8.230 nan 0.000 0.451 612 T N -3.503 111.095 114.554 0.073 0.000 2.833 612 T HA -0.168 4.182 4.350 0.001 0.000 0.269 612 T C 1.785 176.502 174.700 0.030 0.000 1.054 612 T CA 1.719 63.846 62.100 0.046 0.000 1.135 612 T CB -0.807 68.089 68.868 0.046 0.000 0.869 612 T HN 0.229 nan 8.240 nan 0.000 0.466 613 T N 2.155 116.727 114.554 0.029 0.000 2.708 613 T HA -0.066 4.285 4.350 0.001 0.000 0.266 613 T C 1.964 176.674 174.700 0.016 0.000 1.037 613 T CA 1.473 63.585 62.100 0.019 0.000 1.146 613 T CB -0.255 68.623 68.868 0.016 0.000 0.865 613 T HN 0.498 nan 8.240 nan 0.000 0.435 614 K N 0.607 121.018 120.400 0.019 0.000 2.097 614 K HA 0.006 4.327 4.320 0.001 0.000 0.205 614 K C 2.339 178.948 176.600 0.014 0.000 1.050 614 K CA 0.710 57.006 56.287 0.016 0.000 0.938 614 K CB -0.439 32.072 32.500 0.018 0.000 0.718 614 K HN 0.111 nan 8.250 nan 0.000 0.442 615 V N 1.791 121.715 119.914 0.017 0.000 2.332 615 V HA -0.260 3.861 4.120 0.001 0.000 0.248 615 V C 2.351 178.450 176.094 0.008 0.000 1.055 615 V CA 1.660 63.967 62.300 0.012 0.000 1.038 615 V CB -0.421 31.409 31.823 0.012 0.000 0.651 615 V HN 0.352 nan 8.190 nan 0.000 0.450 616 Q N -0.231 119.574 119.800 0.008 0.000 2.119 616 Q HA -0.181 4.159 4.340 0.001 0.000 0.201 616 Q C 2.176 178.180 176.000 0.005 0.000 0.972 616 Q CA 1.322 57.128 55.803 0.005 0.000 0.847 616 Q CB -0.267 28.474 28.738 0.005 0.000 0.903 616 Q HN 0.714 nan 8.270 nan 0.000 0.433 617 E N 0.176 120.380 120.200 0.007 0.000 2.268 617 E HA -0.086 4.265 4.350 0.001 0.000 0.195 617 E C 1.963 178.567 176.600 0.005 0.000 0.995 617 E CA 0.545 56.949 56.400 0.006 0.000 0.836 617 E CB 0.084 29.788 29.700 0.007 0.000 0.763 617 E HN 0.103 nan 8.360 nan 0.000 0.491 618 S N 0.544 116.248 115.700 0.006 0.000 2.345 618 S HA -0.066 4.405 4.470 0.001 0.000 0.219 618 S C 1.936 176.539 174.600 0.004 0.000 1.031 618 S CA 0.525 58.729 58.200 0.005 0.000 0.984 618 S CB -0.074 63.130 63.200 0.007 0.000 0.874 618 S HN 0.127 nan 8.310 nan 0.000 0.451 619 L N 1.679 122.904 121.223 0.003 0.000 1.971 619 L HA -0.187 4.154 4.340 0.001 0.000 0.215 619 L C 2.655 179.525 176.870 0.001 0.000 1.072 619 L CA 1.490 56.330 54.840 0.001 0.000 0.758 619 L CB -0.452 41.607 42.059 0.000 0.000 0.889 619 L HN 0.205 nan 8.230 nan 0.000 0.433 620 K N -0.072 120.329 120.400 0.002 0.000 2.097 620 K HA -0.225 4.096 4.320 0.001 0.000 0.206 620 K C 2.047 178.648 176.600 0.002 0.000 1.049 620 K CA 1.283 57.571 56.287 0.002 0.000 0.933 620 K CB -0.325 32.176 32.500 0.003 0.000 0.717 620 K HN 0.307 nan 8.250 nan 0.000 0.442 621 K N 1.535 121.936 120.400 0.002 0.000 2.097 621 K HA -0.194 4.126 4.320 0.001 0.000 0.205 621 K C 2.304 178.905 176.600 0.001 0.000 1.050 621 K CA 1.246 57.534 56.287 0.002 0.000 0.938 621 K CB 0.094 32.596 32.500 0.002 0.000 0.718 621 K HN 0.177 nan 8.250 nan 0.000 0.442 622 Q N 0.880 120.680 119.800 0.001 0.000 1.993 622 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 622 Q C 1.630 177.630 176.000 -0.000 0.000 0.984 622 Q CA 1.993 57.796 55.803 -0.000 0.000 0.837 622 Q CB -0.017 28.721 28.738 -0.000 0.000 0.902 622 Q HN 0.306 nan 8.270 nan 0.000 0.423 623 E N -0.059 120.142 120.200 0.000 0.000 2.097 623 E HA -0.194 4.157 4.350 0.001 0.000 0.196 623 E C 1.835 178.436 176.600 0.002 0.000 1.000 623 E CA 1.353 57.753 56.400 0.001 0.000 0.804 623 E CB -0.500 29.201 29.700 0.001 0.000 0.740 623 E HN 0.616 nan 8.360 nan 0.000 0.454 624 G N 0.793 109.594 108.800 0.002 0.000 2.480 624 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 624 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 624 G C 1.503 176.405 174.900 0.003 0.000 1.200 624 G CA 0.925 46.027 45.100 0.003 0.000 0.782 624 G HN 0.147 nan 8.290 nan 0.000 0.554 625 L N 0.038 121.262 121.223 0.001 0.000 2.127 625 L HA -0.014 4.326 4.340 0.001 0.000 0.211 625 L C 2.858 179.727 176.870 -0.001 0.000 1.089 625 L CA 0.448 55.287 54.840 -0.001 0.000 0.757 625 L CB -0.263 41.794 42.059 -0.003 0.000 0.899 625 L HN 0.198 nan 8.230 nan 0.000 0.434 626 L N -0.655 120.567 121.223 -0.001 0.000 2.127 626 L HA -0.150 4.191 4.340 0.001 0.000 0.203 626 L C 2.648 179.521 176.870 0.005 0.000 1.080 626 L CA 0.917 55.756 54.840 -0.002 0.000 0.768 626 L CB -0.454 41.603 42.059 -0.004 0.000 0.924 626 L HN 0.257 nan 8.230 nan 0.000 0.444 627 K N 1.531 121.935 120.400 0.007 0.000 2.001 627 K HA -0.190 4.130 4.320 0.001 0.000 0.214 627 K C 0.928 177.538 176.600 0.017 0.000 1.050 627 K CA 1.933 58.227 56.287 0.012 0.000 0.934 627 K CB -0.151 32.355 32.500 0.010 0.000 0.718 627 K HN 0.505 nan 8.250 nan 0.000 0.443 628 N N 0.408 119.117 118.700 0.015 0.000 2.758 628 N HA 0.084 4.825 4.740 0.001 0.000 0.293 628 N C 0.690 176.212 175.510 0.020 0.000 1.273 628 N CA -0.102 52.959 53.050 0.019 0.000 1.022 628 N CB 0.534 39.030 38.487 0.015 0.000 1.334 628 N HN 0.250 nan 8.380 nan 0.000 0.519 629 I N -0.339 120.245 120.570 0.024 0.000 4.398 629 I HA -0.064 4.107 4.170 0.001 0.000 0.310 629 I C 2.024 178.179 176.117 0.063 0.000 1.232 629 I CA 0.154 61.471 61.300 0.027 0.000 1.312 629 I CB 0.537 38.538 38.000 0.002 0.000 1.347 629 I HN 0.111 nan 8.210 nan 0.000 0.454 630 Q N 0.118 119.952 119.800 0.056 0.000 2.172 630 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 630 Q C 2.172 178.244 176.000 0.120 0.000 0.964 630 Q CA 1.258 57.115 55.803 0.090 0.000 0.855 630 Q CB 0.293 29.062 28.738 0.051 0.000 0.918 630 Q HN 0.319 nan 8.270 nan 0.000 0.444 631 V N -0.398 119.563 119.914 0.079 0.000 2.591 631 V HA -0.172 3.949 4.120 0.001 0.000 0.249 631 V C 2.090 178.227 176.094 0.072 0.000 1.053 631 V CA 1.875 64.214 62.300 0.066 0.000 1.068 631 V CB 0.183 32.032 31.823 0.042 0.000 0.689 631 V HN 0.311 nan 8.190 nan 0.000 0.462 632 S N -1.288 114.459 115.700 0.079 0.000 2.414 632 S HA -0.208 4.263 4.470 0.001 0.000 0.227 632 S C 1.935 176.611 174.600 0.126 0.000 1.022 632 S CA 1.663 59.911 58.200 0.080 0.000 0.958 632 S CB -0.425 62.807 63.200 0.053 0.000 0.797 632 S HN 0.904 nan 8.310 nan 0.000 0.493 633 H N 1.501 120.607 119.070 0.061 0.000 2.276 633 H HA 0.010 4.567 4.556 0.001 0.000 0.301 633 H C 2.320 177.742 175.328 0.157 0.000 1.073 633 H CA 2.302 58.416 56.048 0.109 0.000 1.311 633 H CB -0.656 29.144 29.762 0.064 0.000 1.379 633 H HN 0.328 nan 8.280 nan 0.000 0.494 634 Q N 0.725 120.537 119.800 0.019 0.000 2.217 634 Q HA -0.224 4.117 4.340 0.001 0.000 0.209 634 Q C 1.716 177.670 176.000 -0.076 0.000 0.988 634 Q CA 2.020 57.791 55.803 -0.055 0.000 0.878 634 Q CB -0.151 28.624 28.738 0.062 0.000 0.909 634 Q HN 0.690 nan 8.270 nan 0.000 0.424 635 E N -0.427 119.765 120.200 -0.014 0.000 2.072 635 E HA -0.114 4.237 4.350 0.001 0.000 0.190 635 E C 1.819 178.413 176.600 -0.010 0.000 0.982 635 E CA 0.677 57.073 56.400 -0.005 0.000 0.803 635 E CB -0.468 29.249 29.700 0.028 0.000 0.755 635 E HN 0.409 nan 8.360 nan 0.000 0.453 636 F N 2.569 122.441 119.950 -0.129 0.000 2.126 636 F HA -0.256 4.271 4.527 0.001 0.000 0.299 636 F C 2.526 178.233 175.800 -0.155 0.000 1.096 636 F CA 1.975 59.902 58.000 -0.121 0.000 1.255 636 F CB -0.305 38.640 39.000 -0.093 0.000 0.997 636 F HN -0.029 nan 8.300 nan 0.000 0.479 637 S N -0.647 114.861 115.700 -0.321 0.000 2.402 637 S HA -0.153 4.318 4.470 0.001 0.000 0.229 637 S C 1.761 176.199 174.600 -0.270 0.000 1.021 637 S CA 0.853 58.841 58.200 -0.353 0.000 0.974 637 S CB -0.482 62.542 63.200 -0.294 0.000 0.800 637 S HN 0.232 nan 8.310 nan 0.000 0.484 638 K N 1.047 121.327 120.400 -0.200 0.000 2.574 638 K HA 0.258 4.579 4.320 0.001 0.000 0.193 638 K C 1.237 177.742 176.600 -0.158 0.000 1.035 638 K CA 0.658 56.861 56.287 -0.140 0.000 0.982 638 K CB -0.538 31.908 32.500 -0.090 0.000 0.795 638 K HN 0.600 nan 8.250 nan 0.000 0.491 639 M N -1.450 118.002 119.600 -0.247 0.000 2.308 639 M HA 0.159 4.640 4.480 0.001 0.000 0.269 639 M C -0.369 175.777 176.300 -0.256 0.000 1.040 639 M CA 0.132 55.290 55.300 -0.236 0.000 1.024 639 M CB 0.704 33.146 32.600 -0.263 0.000 1.465 639 M HN -0.307 nan 8.290 nan 0.000 0.517 640 K N 1.473 121.693 120.400 -0.299 0.000 2.621 640 K HA 0.318 4.639 4.320 0.001 0.000 0.233 640 K C -0.707 175.802 176.600 -0.150 0.000 0.972 640 K CA -0.148 55.996 56.287 -0.239 0.000 0.988 640 K CB 1.157 33.457 32.500 -0.333 0.000 1.187 640 K HN 0.047 nan 8.250 nan 0.000 0.471 641 Q N 0.476 120.214 119.800 -0.102 0.000 2.540 641 Q HA 0.115 4.456 4.340 0.001 0.000 0.256 641 Q C -0.384 175.587 176.000 -0.049 0.000 1.084 641 Q CA 0.610 56.371 55.803 -0.069 0.000 0.956 641 Q CB 0.659 29.365 28.738 -0.052 0.000 1.303 641 Q HN 0.408 nan 8.270 nan 0.000 0.509 642 S N 1.840 117.520 115.700 -0.035 0.000 2.520 642 S HA 0.285 4.756 4.470 0.001 0.000 0.324 642 S C -0.515 174.076 174.600 -0.014 0.000 1.069 642 S CA -0.751 57.437 58.200 -0.020 0.000 1.121 642 S CB 0.161 63.353 63.200 -0.014 0.000 0.971 642 S HN 0.595 nan 8.310 nan 0.000 0.463 643 N N 1.764 120.458 118.700 -0.010 0.000 2.577 643 N HA 0.437 5.178 4.740 0.001 0.000 0.285 643 N C 0.435 175.944 175.510 -0.002 0.000 1.309 643 N CA -0.998 52.048 53.050 -0.007 0.000 0.798 643 N CB 0.351 38.833 38.487 -0.008 0.000 1.463 643 N HN 0.087 nan 8.380 nan 0.000 0.518 644 N N 0.068 118.768 118.700 -0.001 0.000 2.166 644 N HA -0.184 4.557 4.740 0.001 0.000 0.186 644 N C 0.848 176.360 175.510 0.004 0.000 1.019 644 N CA 1.154 54.205 53.050 0.002 0.000 0.856 644 N CB -0.337 38.151 38.487 0.001 0.000 0.993 644 N HN 0.778 nan 8.380 nan 0.000 0.426 645 E N 0.158 120.360 120.200 0.002 0.000 2.208 645 E HA 0.068 4.418 4.350 0.001 0.000 0.193 645 E C 1.245 177.849 176.600 0.006 0.000 0.988 645 E CA 0.676 57.078 56.400 0.003 0.000 0.828 645 E CB 0.107 29.807 29.700 0.001 0.000 0.763 645 E HN 0.401 nan 8.360 nan 0.000 0.478 646 A N -0.156 122.667 122.820 0.006 0.000 2.252 646 A HA 0.119 4.439 4.320 0.001 0.000 0.213 646 A C 1.422 179.015 177.584 0.016 0.000 1.188 646 A CA -0.023 52.020 52.037 0.010 0.000 0.863 646 A CB -0.100 18.904 19.000 0.007 0.000 0.893 646 A HN 0.176 nan 8.150 nan 0.000 0.495 647 N N -0.145 118.563 118.700 0.013 0.000 2.171 647 N HA -0.113 4.628 4.740 0.001 0.000 0.184 647 N C 1.639 177.159 175.510 0.018 0.000 1.021 647 N CA 1.008 54.068 53.050 0.017 0.000 0.854 647 N CB -0.100 38.395 38.487 0.013 0.000 0.994 647 N HN 0.331 nan 8.380 nan 0.000 0.426 648 L N 2.075 123.307 121.223 0.014 0.000 1.994 648 L HA -0.108 4.233 4.340 0.001 0.000 0.208 648 L C 2.257 179.136 176.870 0.015 0.000 1.071 648 L CA 1.610 56.458 54.840 0.013 0.000 0.745 648 L CB -0.815 41.250 42.059 0.009 0.000 0.892 648 L HN 0.040 nan 8.230 nan 0.000 0.431 649 R N -0.715 119.794 120.500 0.015 0.000 2.091 649 R HA -0.176 4.165 4.340 0.001 0.000 0.238 649 R C 2.257 178.570 176.300 0.022 0.000 1.136 649 R CA 1.572 57.682 56.100 0.017 0.000 0.959 649 R CB -0.197 30.113 30.300 0.017 0.000 0.856 649 R HN 0.459 nan 8.270 nan 0.000 0.437 650 E N 0.373 120.590 120.200 0.028 0.000 2.033 650 E HA -0.250 4.101 4.350 0.001 0.000 0.199 650 E C 1.914 178.532 176.600 0.031 0.000 1.011 650 E CA 1.573 57.995 56.400 0.036 0.000 0.815 650 E CB -0.072 29.654 29.700 0.043 0.000 0.755 650 E HN 0.428 nan 8.360 nan 0.000 0.451 651 E N 0.056 120.271 120.200 0.026 0.000 2.077 651 E HA -0.157 4.194 4.350 0.001 0.000 0.193 651 E C 2.254 178.866 176.600 0.020 0.000 0.989 651 E CA 0.996 57.410 56.400 0.023 0.000 0.800 651 E CB 0.045 29.758 29.700 0.021 0.000 0.746 651 E HN 0.089 nan 8.360 nan 0.000 0.452 652 V N 1.374 121.299 119.914 0.018 0.000 2.343 652 V HA -0.259 3.862 4.120 0.001 0.000 0.247 652 V C 2.357 178.460 176.094 0.014 0.000 1.051 652 V CA 1.144 63.453 62.300 0.015 0.000 1.036 652 V CB -0.394 31.436 31.823 0.012 0.000 0.654 652 V HN 0.203 nan 8.190 nan 0.000 0.451 653 L N 0.091 121.323 121.223 0.015 0.000 1.976 653 L HA -0.158 4.183 4.340 0.001 0.000 0.209 653 L C 2.461 179.339 176.870 0.012 0.000 1.071 653 L CA 1.863 56.711 54.840 0.013 0.000 0.746 653 L CB -1.203 40.867 42.059 0.018 0.000 0.890 653 L HN 0.318 nan 8.230 nan 0.000 0.432 654 K N -0.600 119.809 120.400 0.016 0.000 2.063 654 K HA -0.186 4.135 4.320 0.001 0.000 0.208 654 K C 1.767 178.375 176.600 0.013 0.000 1.048 654 K CA 1.545 57.840 56.287 0.013 0.000 0.928 654 K CB -0.384 32.125 32.500 0.015 0.000 0.713 654 K HN 0.330 nan 8.250 nan 0.000 0.442 655 N N 1.063 119.773 118.700 0.016 0.000 2.331 655 N HA -0.049 4.692 4.740 0.001 0.000 0.180 655 N C 1.769 177.290 175.510 0.020 0.000 1.019 655 N CA 0.706 53.767 53.050 0.018 0.000 0.881 655 N CB -0.166 38.335 38.487 0.023 0.000 0.972 655 N HN 0.119 nan 8.380 nan 0.000 0.435 656 L N -0.004 121.230 121.223 0.019 0.000 2.156 656 L HA -0.011 4.330 4.340 0.001 0.000 0.208 656 L C 2.148 179.042 176.870 0.040 0.000 1.095 656 L CA 0.789 55.643 54.840 0.023 0.000 0.770 656 L CB -0.268 41.797 42.059 0.010 0.000 0.914 656 L HN 0.141 nan 8.230 nan 0.000 0.439 657 A N -0.783 122.056 122.820 0.031 0.000 1.898 657 A HA -0.136 4.184 4.320 0.001 0.000 0.214 657 A C 2.317 179.944 177.584 0.072 0.000 1.183 657 A CA 1.844 53.911 52.037 0.051 0.000 0.622 657 A CB -0.719 18.292 19.000 0.019 0.000 0.824 657 A HN 0.300 nan 8.150 nan 0.000 0.444 658 T N 0.509 115.079 114.554 0.026 0.000 2.759 658 T HA -0.069 4.282 4.350 0.001 0.000 0.269 658 T C 2.148 176.826 174.700 -0.037 0.000 1.042 658 T CA 1.504 63.595 62.100 -0.015 0.000 1.140 658 T CB -0.393 68.453 68.868 -0.037 0.000 0.864 658 T HN 0.579 nan 8.240 nan 0.000 0.455 659 A N 0.294 123.116 122.820 0.003 0.000 1.972 659 A HA -0.110 4.211 4.320 0.001 0.000 0.219 659 A C 2.056 179.690 177.584 0.083 0.000 1.169 659 A CA 1.497 53.545 52.037 0.019 0.000 0.635 659 A CB -0.858 18.169 19.000 0.045 0.000 0.810 659 A HN 0.629 nan 8.150 nan 0.000 0.446 660 Y N 1.038 121.340 120.300 0.003 0.000 2.220 660 Y HA -0.150 4.401 4.550 0.001 0.000 0.291 660 Y C 1.847 177.789 175.900 0.070 0.000 1.129 660 Y CA 1.719 59.842 58.100 0.037 0.000 1.161 660 Y CB -0.195 38.270 38.460 0.008 0.000 0.997 660 Y HN 0.331 nan 8.280 nan 0.000 0.522 661 D N 0.126 120.530 120.400 0.006 0.000 2.092 661 D HA -0.223 4.418 4.640 0.001 0.000 0.193 661 D C 1.690 177.912 176.300 -0.130 0.000 0.994 661 D CA 1.998 55.946 54.000 -0.087 0.000 0.828 661 D CB -0.663 40.129 40.800 -0.014 0.000 0.963 661 D HN 0.570 nan 8.370 nan 0.000 0.450 662 N N -0.227 118.406 118.700 -0.112 0.000 2.104 662 N HA -0.169 4.572 4.740 0.001 0.000 0.190 662 N C 1.746 177.241 175.510 -0.025 0.000 1.024 662 N CA 0.664 53.649 53.050 -0.108 0.000 0.853 662 N CB -0.315 38.026 38.487 -0.243 0.000 1.008 662 N HN 0.083 nan 8.380 nan 0.000 0.424 663 F N 1.693 121.562 119.950 -0.135 0.000 2.126 663 F HA -0.177 4.350 4.527 0.001 0.000 0.299 663 F C 2.022 177.733 175.800 -0.149 0.000 1.096 663 F CA 1.073 59.009 58.000 -0.105 0.000 1.255 663 F CB -0.287 38.653 39.000 -0.100 0.000 0.997 663 F HN -0.197 nan 8.300 nan 0.000 0.479 664 V N 0.079 119.898 119.914 -0.158 0.000 2.427 664 V HA -0.269 3.852 4.120 0.001 0.000 0.248 664 V C 2.332 178.305 176.094 -0.201 0.000 1.051 664 V CA 2.222 64.387 62.300 -0.226 0.000 1.048 664 V CB -0.606 31.024 31.823 -0.323 0.000 0.666 664 V HN 0.380 nan 8.190 nan 0.000 0.456 665 E N -0.499 119.606 120.200 -0.158 0.000 2.106 665 E HA -0.205 4.146 4.350 0.001 0.000 0.192 665 E C 2.139 178.671 176.600 -0.114 0.000 0.984 665 E CA 0.945 57.280 56.400 -0.109 0.000 0.806 665 E CB 0.002 29.658 29.700 -0.074 0.000 0.750 665 E HN 0.381 nan 8.360 nan 0.000 0.458 666 L N 0.026 121.164 121.223 -0.141 0.000 2.044 666 L HA -0.126 4.215 4.340 0.001 0.000 0.205 666 L C 2.275 179.027 176.870 -0.196 0.000 1.075 666 L CA 1.078 55.843 54.840 -0.125 0.000 0.747 666 L CB -0.493 41.514 42.059 -0.085 0.000 0.903 666 L HN 0.019 nan 8.230 nan 0.000 0.435 667 V N -0.164 119.544 119.914 -0.343 0.000 2.324 667 V HA -0.378 3.743 4.120 0.001 0.000 0.250 667 V C 2.678 178.669 176.094 -0.171 0.000 1.060 667 V CA 1.902 64.012 62.300 -0.317 0.000 1.042 667 V CB -1.132 30.430 31.823 -0.435 0.000 0.650 667 V HN 0.577 nan 8.190 nan 0.000 0.450 668 A N -0.237 122.497 122.820 -0.143 0.000 1.897 668 A HA -0.162 4.159 4.320 0.001 0.000 0.215 668 A C 2.042 179.584 177.584 -0.069 0.000 1.181 668 A CA 1.679 53.663 52.037 -0.088 0.000 0.620 668 A CB -0.575 18.380 19.000 -0.075 0.000 0.821 668 A HN 0.582 nan 8.150 nan 0.000 0.443 669 N N 0.254 118.910 118.700 -0.073 0.000 2.120 669 N HA -0.077 4.664 4.740 0.001 0.000 0.188 669 N C 1.645 177.123 175.510 -0.054 0.000 1.024 669 N CA 1.206 54.220 53.050 -0.060 0.000 0.852 669 N CB -0.495 37.961 38.487 -0.051 0.000 1.003 669 N HN 0.485 nan 8.380 nan 0.000 0.424 670 L N 1.038 122.222 121.223 -0.066 0.000 2.017 670 L HA -0.138 4.203 4.340 0.001 0.000 0.208 670 L C 2.218 179.072 176.870 -0.027 0.000 1.073 670 L CA 1.288 56.095 54.840 -0.055 0.000 0.745 670 L CB -0.241 41.764 42.059 -0.091 0.000 0.894 670 L HN 0.107 nan 8.230 nan 0.000 0.432 671 K N -0.373 120.005 120.400 -0.038 0.000 2.097 671 K HA -0.234 4.087 4.320 0.001 0.000 0.206 671 K C 2.035 178.641 176.600 0.009 0.000 1.049 671 K CA 1.414 57.693 56.287 -0.014 0.000 0.933 671 K CB -0.097 32.389 32.500 -0.024 0.000 0.717 671 K HN 0.304 nan 8.250 nan 0.000 0.442 672 E N 0.345 120.542 120.200 -0.005 0.000 2.038 672 E HA -0.190 4.161 4.350 0.001 0.000 0.195 672 E C 2.092 178.709 176.600 0.029 0.000 1.000 672 E CA 1.509 57.911 56.400 0.004 0.000 0.803 672 E CB -0.236 29.447 29.700 -0.029 0.000 0.750 672 E HN 0.360 nan 8.360 nan 0.000 0.448 673 G N -0.013 108.793 108.800 0.011 0.000 2.476 673 G HA2 -0.330 3.631 3.960 0.001 0.000 0.218 673 G HA3 -0.330 3.631 3.960 0.001 0.000 0.218 673 G C 1.647 176.669 174.900 0.205 0.000 1.164 673 G CA 1.527 46.660 45.100 0.055 0.000 0.768 673 G HN 0.315 nan 8.290 nan 0.000 0.560 674 T N 0.221 114.869 114.554 0.158 0.000 2.643 674 T HA -0.091 4.260 4.350 0.001 0.000 0.264 674 T C 2.268 177.054 174.700 0.144 0.000 1.045 674 T CA 1.557 63.754 62.100 0.162 0.000 1.155 674 T CB -0.209 68.705 68.868 0.077 0.000 0.863 674 T HN 0.304 nan 8.240 nan 0.000 0.420 675 K N -0.120 120.337 120.400 0.095 0.000 2.074 675 K HA -0.140 4.181 4.320 0.001 0.000 0.209 675 K C 2.085 178.727 176.600 0.070 0.000 1.048 675 K CA 1.528 57.855 56.287 0.067 0.000 0.926 675 K CB -0.338 32.191 32.500 0.049 0.000 0.713 675 K HN 0.339 nan 8.250 nan 0.000 0.444 676 F N 0.347 120.263 119.950 -0.056 0.000 2.046 676 F HA -0.259 4.269 4.527 0.001 0.000 0.297 676 F C 1.776 177.511 175.800 -0.109 0.000 1.123 676 F CA 1.588 59.513 58.000 -0.126 0.000 1.199 676 F CB -0.602 38.249 39.000 -0.248 0.000 0.972 676 F HN 0.062 nan 8.300 nan 0.000 0.474 677 Y N 0.676 121.017 120.300 0.068 0.000 2.403 677 Y HA -0.240 4.311 4.550 0.001 0.000 0.291 677 Y C 2.260 178.080 175.900 -0.134 0.000 1.143 677 Y CA 1.108 59.172 58.100 -0.061 0.000 1.257 677 Y CB -0.423 38.086 38.460 0.081 0.000 0.984 677 Y HN 0.214 nan 8.280 nan 0.000 0.550 678 N N -0.115 118.611 118.700 0.045 0.000 2.290 678 N HA -0.109 4.632 4.740 0.001 0.000 0.179 678 N C 1.551 177.019 175.510 -0.070 0.000 1.016 678 N CA 0.897 53.943 53.050 -0.006 0.000 0.871 678 N CB -0.188 38.308 38.487 0.014 0.000 0.987 678 N HN 0.427 nan 8.380 nan 0.000 0.431 679 E N 0.689 120.820 120.200 -0.114 0.000 2.150 679 E HA -0.094 4.257 4.350 0.001 0.000 0.193 679 E C 1.781 178.266 176.600 -0.192 0.000 0.985 679 E CA 0.390 56.711 56.400 -0.132 0.000 0.814 679 E CB 0.015 29.642 29.700 -0.122 0.000 0.752 679 E HN 0.069 nan 8.360 nan 0.000 0.466 680 L N 0.309 121.335 121.223 -0.328 0.000 2.141 680 L HA -0.123 4.218 4.340 0.001 0.000 0.209 680 L C 2.050 178.795 176.870 -0.208 0.000 1.094 680 L CA 1.700 56.333 54.840 -0.345 0.000 0.763 680 L CB -0.509 41.217 42.059 -0.554 0.000 0.908 680 L HN 0.053 nan 8.230 nan 0.000 0.437 681 T N -0.725 113.745 114.554 -0.139 0.000 2.777 681 T HA -0.147 4.204 4.350 0.001 0.000 0.266 681 T C 1.745 176.391 174.700 -0.091 0.000 1.040 681 T CA 1.256 63.296 62.100 -0.100 0.000 1.141 681 T CB -0.144 68.688 68.868 -0.061 0.000 0.868 681 T HN 0.341 nan 8.240 nan 0.000 0.444 682 E N 0.890 121.044 120.200 -0.077 0.000 2.048 682 E HA -0.147 4.204 4.350 0.001 0.000 0.202 682 E C 2.280 178.855 176.600 -0.041 0.000 1.021 682 E CA 1.160 57.529 56.400 -0.050 0.000 0.825 682 E CB -0.289 29.386 29.700 -0.041 0.000 0.756 682 E HN 0.389 nan 8.360 nan 0.000 0.454 683 I N 0.686 121.224 120.570 -0.054 0.000 2.208 683 I HA -0.262 3.909 4.170 0.001 0.000 0.245 683 I C 2.638 178.724 176.117 -0.051 0.000 1.097 683 I CA 1.038 62.334 61.300 -0.006 0.000 1.363 683 I CB -1.146 36.878 38.000 0.042 0.000 1.051 683 I HN 0.117 nan 8.210 nan 0.000 0.413 684 L N -0.082 121.024 121.223 -0.195 0.000 2.217 684 L HA -0.096 4.245 4.340 0.001 0.000 0.211 684 L C 2.597 179.439 176.870 -0.046 0.000 1.107 684 L CA 0.369 55.058 54.840 -0.251 0.000 0.783 684 L CB -0.290 41.559 42.059 -0.350 0.000 0.919 684 L HN 0.011 nan 8.230 nan 0.000 0.442 685 V N -0.297 119.595 119.914 -0.038 0.000 2.358 685 V HA -0.234 3.887 4.120 0.001 0.000 0.246 685 V C 2.604 178.703 176.094 0.009 0.000 1.047 685 V CA 1.561 63.850 62.300 -0.017 0.000 1.035 685 V CB -0.482 31.325 31.823 -0.027 0.000 0.658 685 V HN 0.401 nan 8.190 nan 0.000 0.452 686 R N -1.027 119.493 120.500 0.035 0.000 2.081 686 R HA -0.186 4.154 4.340 0.001 0.000 0.235 686 R C 2.245 178.597 176.300 0.086 0.000 1.131 686 R CA 2.016 58.150 56.100 0.056 0.000 0.960 686 R CB -0.526 29.821 30.300 0.077 0.000 0.856 686 R HN 0.528 nan 8.270 nan 0.000 0.436 687 F N 1.995 121.940 119.950 -0.008 0.000 2.171 687 F HA -0.235 4.293 4.527 0.001 0.000 0.300 687 F C 2.591 178.380 175.800 -0.017 0.000 1.090 687 F CA 1.835 59.847 58.000 0.020 0.000 1.293 687 F CB -0.200 38.819 39.000 0.032 0.000 1.013 687 F HN -0.014 nan 8.300 nan 0.000 0.486 688 Q N 0.335 120.110 119.800 -0.041 0.000 2.124 688 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 688 Q C 1.577 177.481 176.000 -0.159 0.000 0.977 688 Q CA 2.301 58.032 55.803 -0.120 0.000 0.850 688 Q CB -0.328 28.385 28.738 -0.041 0.000 0.901 688 Q HN 0.513 nan 8.270 nan 0.000 0.429 689 N N -0.380 118.254 118.700 -0.109 0.000 2.333 689 N HA -0.030 4.710 4.740 0.001 0.000 0.178 689 N C 1.260 176.707 175.510 -0.105 0.000 1.018 689 N CA 0.805 53.801 53.050 -0.090 0.000 0.882 689 N CB 0.048 38.505 38.487 -0.050 0.000 0.984 689 N HN 0.145 nan 8.380 nan 0.000 0.434 690 K N 0.279 120.597 120.400 -0.137 0.000 2.097 690 K HA -0.062 4.258 4.320 0.001 0.000 0.206 690 K C 1.573 178.048 176.600 -0.209 0.000 1.049 690 K CA 0.978 57.183 56.287 -0.136 0.000 0.933 690 K CB -0.100 32.330 32.500 -0.117 0.000 0.717 690 K HN 0.240 nan 8.250 nan 0.000 0.442 691 C N 0.291 119.373 119.300 -0.364 0.000 2.432 691 C HA -0.096 4.365 4.460 0.001 0.000 0.277 691 C C 2.976 177.849 174.990 -0.195 0.000 1.249 691 C CA 1.387 60.189 59.018 -0.360 0.000 1.725 691 C CB -0.853 26.606 27.740 -0.467 0.000 2.028 691 C HN 0.648 nan 8.230 nan 0.000 0.477 692 S N 0.963 116.579 115.700 -0.139 0.000 2.402 692 S HA -0.155 4.316 4.470 0.001 0.000 0.229 692 S C 1.222 175.835 174.600 0.021 0.000 1.021 692 S CA 1.661 59.825 58.200 -0.059 0.000 0.974 692 S CB -0.506 62.653 63.200 -0.067 0.000 0.800 692 S HN 0.531 nan 8.310 nan 0.000 0.484 693 D N 1.934 122.342 120.400 0.013 0.000 2.117 693 D HA -0.005 4.635 4.640 0.001 0.000 0.197 693 D C 1.817 178.190 176.300 0.122 0.000 0.987 693 D CA 0.850 54.904 54.000 0.089 0.000 0.829 693 D CB -0.227 40.603 40.800 0.050 0.000 0.961 693 D HN 0.366 nan 8.370 nan 0.000 0.460 694 I N 0.397 121.005 120.570 0.063 0.000 2.761 694 I HA -0.088 4.083 4.170 0.001 0.000 0.261 694 I C 2.242 178.457 176.117 0.162 0.000 1.198 694 I CA 0.461 61.823 61.300 0.104 0.000 1.482 694 I CB -0.969 37.086 38.000 0.091 0.000 1.100 694 I HN -0.095 nan 8.210 nan 0.000 0.445 695 V N 0.095 120.079 119.914 0.116 0.000 2.788 695 V HA -0.151 3.969 4.120 0.001 0.000 0.251 695 V C 2.134 178.344 176.094 0.194 0.000 1.068 695 V CA 0.984 63.379 62.300 0.159 0.000 1.090 695 V CB -0.540 31.333 31.823 0.083 0.000 0.710 695 V HN 0.267 nan 8.190 nan 0.000 0.467 696 F N 0.948 120.920 119.950 0.037 0.000 2.512 696 F HA 0.236 4.764 4.527 0.001 0.000 0.296 696 F C 1.987 177.810 175.800 0.039 0.000 1.110 696 F CA 0.753 58.772 58.000 0.033 0.000 1.446 696 F CB -0.129 38.879 39.000 0.013 0.000 1.092 696 F HN 0.072 nan 8.300 nan 0.000 0.554 697 A N 0.554 123.356 122.820 -0.028 0.000 1.862 697 A HA 0.146 4.467 4.320 0.001 0.000 0.211 697 A C 1.613 179.141 177.584 -0.092 0.000 1.220 697 A CA 0.036 52.008 52.037 -0.109 0.000 0.616 697 A CB -0.389 18.611 19.000 -0.000 0.000 0.878 697 A HN 0.074 nan 8.150 nan 0.000 0.453 698 R N 0.000 120.501 120.500 0.001 0.000 2.786 698 R HA 0.000 4.341 4.340 0.001 0.000 0.208 698 R CA 0.000 56.111 56.100 0.019 0.000 0.921 698 R CB 0.000 30.356 30.300 0.094 0.000 0.687 698 R HN 0.000 nan 8.270 nan 0.000 0.535