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 3oet_1_C DATA FIRST_RESID -2 DATA SEQUENCE SNAXKILVDE NXPYARELFS RLGEVKAVPG RXXXVEELNX XDALXVRSVT DATA SEQUENCE KVNESXLSGT PINFVGTATA GTDHVDEAWL KQAGIGFSAA PGCNAIAVVE DATA SEQUENCE YVFSALLXLA ERDGFSLRDR TIGIVGVGNV GSRLQTRLEA LGIRTLLCDP DATA SEQUENCE PRAARGDEGD FRTLDELVQE ADVLTFHTPL YKDGPYKTLH LADETLIRRL DATA SEQUENCE KPGAILINAC RGPVVDNAAL LARLNAGQPL SVVLDVWEGE PDLNVALLEA DATA SEQUENCE VDIGTSHIAG YTLEGKARGT TQVFEAYSAF IGXEQRVALE TLLPAPEFGR DATA SEQUENCE ITLHGPLDQP TLKRLAHLVY DVRRDDAPLR KVAGIPGEFD KLRKNYLERR DATA SEQUENCE EWSSLYVXCD DETAAALLCK LGFNAVHHP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.619 174.600 0.031 0.000 1.055 -2 S CA 0.000 58.217 58.200 0.029 0.000 1.107 -2 S CB 0.000 63.218 63.200 0.029 0.000 0.593 -1 N N 1.193 119.911 118.700 0.031 0.000 2.291 -1 N HA 0.613 5.353 4.740 -0.000 0.000 0.244 -1 N C 0.046 175.578 175.510 0.036 0.000 1.216 -1 N CA 0.205 53.274 53.050 0.031 0.000 0.879 -1 N CB 1.414 39.916 38.487 0.025 0.000 1.167 -1 N HN 0.830 nan 8.380 nan 0.000 0.515 3 I N 5.011 125.562 120.570 -0.032 0.000 2.545 3 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 3 I C -0.552 175.479 176.117 -0.144 0.000 1.040 3 I CA -0.990 60.229 61.300 -0.136 0.000 1.068 3 I CB 1.679 39.555 38.000 -0.207 0.000 1.251 3 I HN 0.396 nan 8.210 nan 0.000 0.424 4 L N 6.247 127.366 121.223 -0.173 0.000 2.334 4 L HA 0.817 5.157 4.340 -0.000 0.000 0.272 4 L C -0.560 176.186 176.870 -0.206 0.000 1.020 4 L CA -0.984 53.770 54.840 -0.144 0.000 0.812 4 L CB 1.999 44.002 42.059 -0.094 0.000 1.264 4 L HN 0.452 nan 8.230 nan 0.000 0.439 5 V N -2.004 117.820 119.914 -0.151 0.000 3.000 5 V HA 0.358 4.478 4.120 -0.000 0.000 0.300 5 V C -0.826 175.219 176.094 -0.082 0.000 1.251 5 V CA -1.017 61.194 62.300 -0.149 0.000 0.972 5 V CB 2.028 33.757 31.823 -0.156 0.000 1.065 5 V HN 0.796 nan 8.190 nan 0.000 0.431 6 D N 3.278 123.639 120.400 -0.065 0.000 2.458 6 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 6 D C 1.162 177.434 176.300 -0.046 0.000 1.146 6 D CA 0.706 54.677 54.000 -0.048 0.000 0.877 6 D CB 1.769 42.544 40.800 -0.041 0.000 1.176 6 D HN 0.983 nan 8.370 nan 0.000 0.461 7 E N 2.812 122.985 120.200 -0.044 0.000 2.515 7 E HA -0.113 4.237 4.350 -0.000 0.000 0.201 7 E C -0.189 176.375 176.600 -0.059 0.000 1.071 7 E CA 0.290 56.662 56.400 -0.046 0.000 0.880 7 E CB 0.041 29.717 29.700 -0.040 0.000 0.828 7 E HN 0.350 nan 8.360 nan 0.000 0.540 11 Y N -0.779 119.505 120.300 -0.026 0.000 4.899 11 Y HA -0.303 4.247 4.550 -0.000 0.000 0.241 11 Y C 1.862 177.743 175.900 -0.031 0.000 0.976 11 Y CA 1.290 59.359 58.100 -0.051 0.000 1.952 11 Y CB -2.498 35.910 38.460 -0.088 0.000 1.496 11 Y HN 0.571 nan 8.280 nan 0.000 0.545 12 A N 0.124 123.017 122.820 0.121 0.000 1.908 12 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 12 A C 2.295 180.026 177.584 0.244 0.000 1.181 12 A CA 2.253 54.435 52.037 0.243 0.000 0.627 12 A CB -0.604 18.488 19.000 0.152 0.000 0.818 12 A HN 0.588 nan 8.150 nan 0.000 0.445 13 R N -0.557 120.007 120.500 0.107 0.000 2.090 13 R HA -0.115 4.225 4.340 -0.000 0.000 0.228 13 R C 2.238 178.573 176.300 0.060 0.000 1.110 13 R CA 1.538 57.687 56.100 0.082 0.000 0.973 13 R CB -0.228 30.090 30.300 0.030 0.000 0.869 13 R HN 0.739 nan 8.270 nan 0.000 0.440 14 E N 0.204 120.420 120.200 0.027 0.000 2.106 14 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 14 E C 1.853 178.384 176.600 -0.114 0.000 0.984 14 E CA 0.941 57.331 56.400 -0.018 0.000 0.806 14 E CB 0.073 29.780 29.700 0.012 0.000 0.750 14 E HN 0.368 nan 8.360 nan 0.000 0.458 15 L N -0.596 120.495 121.223 -0.220 0.000 2.102 15 L HA -0.022 4.318 4.340 -0.000 0.000 0.202 15 L C 2.071 178.697 176.870 -0.406 0.000 1.076 15 L CA 0.637 55.102 54.840 -0.624 0.000 0.761 15 L CB -0.247 41.169 42.059 -1.073 0.000 0.921 15 L HN 0.138 nan 8.230 nan 0.000 0.444 16 F N 0.121 120.062 119.950 -0.015 0.000 2.615 16 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 16 F C 2.744 178.605 175.800 0.100 0.000 1.124 16 F CA 0.882 58.959 58.000 0.127 0.000 1.451 16 F CB -0.428 38.607 39.000 0.058 0.000 1.103 16 F HN 0.095 nan 8.300 nan 0.000 0.569 17 S N 0.074 115.885 115.700 0.185 0.000 2.507 17 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 17 S C 1.934 176.601 174.600 0.111 0.000 0.988 17 S CA 0.368 58.643 58.200 0.124 0.000 0.944 17 S CB -0.488 62.755 63.200 0.072 0.000 0.762 17 S HN 0.386 nan 8.310 nan 0.000 0.526 18 R N 0.821 121.391 120.500 0.116 0.000 2.120 18 R HA 0.008 4.348 4.340 -0.000 0.000 0.234 18 R C 0.695 177.083 176.300 0.147 0.000 1.123 18 R CA 1.397 57.571 56.100 0.122 0.000 0.975 18 R CB -0.555 29.835 30.300 0.151 0.000 0.866 18 R HN 0.583 nan 8.270 nan 0.000 0.446 19 L N -3.263 118.080 121.223 0.201 0.000 3.255 19 L HA 0.605 4.945 4.340 -0.000 0.000 0.293 19 L C 0.128 177.109 176.870 0.184 0.000 1.302 19 L CA -0.347 54.599 54.840 0.177 0.000 0.977 19 L CB 1.496 43.664 42.059 0.181 0.000 1.390 19 L HN 0.097 nan 8.230 nan 0.000 0.588 20 G N -0.753 108.138 108.800 0.152 0.000 2.362 20 G HA2 0.096 4.056 3.960 -0.000 0.000 0.288 20 G HA3 0.096 4.056 3.960 -0.000 0.000 0.288 20 G C -1.976 172.988 174.900 0.107 0.000 1.305 20 G CA -0.797 44.380 45.100 0.129 0.000 0.910 20 G HN 0.191 nan 8.290 nan 0.000 0.518 21 E N -0.372 119.876 120.200 0.080 0.000 2.200 21 E HA 0.545 4.895 4.350 -0.000 0.000 0.283 21 E C -0.452 176.176 176.600 0.047 0.000 1.015 21 E CA -0.547 55.887 56.400 0.057 0.000 0.819 21 E CB 1.473 31.197 29.700 0.041 0.000 1.081 21 E HN 0.369 nan 8.360 nan 0.000 0.397 22 V N 4.395 124.336 119.914 0.045 0.000 2.532 22 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 22 V C -0.145 175.950 176.094 0.001 0.000 1.041 22 V CA -0.679 61.635 62.300 0.024 0.000 0.926 22 V CB 1.611 33.469 31.823 0.058 0.000 0.992 22 V HN 0.523 nan 8.190 nan 0.000 0.457 23 K N 3.882 124.267 120.400 -0.025 0.000 2.473 23 K HA 0.635 4.955 4.320 -0.000 0.000 0.246 23 K C -0.208 176.371 176.600 -0.035 0.000 1.011 23 K CA -0.394 55.878 56.287 -0.025 0.000 0.984 23 K CB 0.871 33.356 32.500 -0.025 0.000 1.250 23 K HN 0.815 nan 8.250 nan 0.000 0.454 24 A N 2.982 125.788 122.820 -0.025 0.000 2.488 24 A HA 0.476 4.796 4.320 -0.000 0.000 0.249 24 A C -0.573 176.993 177.584 -0.030 0.000 1.083 24 A CA -0.135 51.885 52.037 -0.029 0.000 0.768 24 A CB 0.327 19.313 19.000 -0.022 0.000 1.017 24 A HN 0.458 nan 8.150 nan 0.000 0.496 25 V N 5.495 125.388 119.914 -0.035 0.000 2.851 25 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 25 V C -2.358 173.717 176.094 -0.033 0.000 1.129 25 V CA -1.352 60.928 62.300 -0.033 0.000 0.932 25 V CB 2.558 34.358 31.823 -0.038 0.000 1.024 25 V HN 0.865 nan 8.190 nan 0.000 0.426 26 P HA 0.155 nan 4.420 nan 0.000 0.272 26 P C 0.769 178.052 177.300 -0.028 0.000 1.230 26 P CA 0.237 63.320 63.100 -0.028 0.000 0.788 26 P CB 0.982 32.668 31.700 -0.023 0.000 0.949 27 G N 0.765 109.548 108.800 -0.027 0.000 2.414 27 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 27 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 27 G C 0.903 175.789 174.900 -0.024 0.000 1.188 27 G CA 0.571 45.655 45.100 -0.026 0.000 0.783 27 G HN 0.647 nan 8.290 nan 0.000 0.537 33 E N 0.230 120.424 120.200 -0.009 0.000 2.502 33 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 33 E C 1.509 178.105 176.600 -0.006 0.000 1.062 33 E CA 1.149 57.545 56.400 -0.006 0.000 0.867 33 E CB -0.065 29.632 29.700 -0.006 0.000 0.888 33 E HN 0.721 nan 8.360 nan 0.000 0.510 34 E N -0.440 119.755 120.200 -0.009 0.000 2.330 34 E HA 0.176 4.526 4.350 -0.000 0.000 0.200 34 E C 2.281 178.874 176.600 -0.011 0.000 0.922 34 E CA 0.033 56.427 56.400 -0.010 0.000 0.935 34 E CB 0.127 29.818 29.700 -0.015 0.000 0.917 34 E HN 0.490 nan 8.360 nan 0.000 0.491 35 L N 1.450 122.665 121.223 -0.012 0.000 2.081 35 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 35 L C 0.841 177.708 176.870 -0.004 0.000 1.080 35 L CA 0.928 55.761 54.840 -0.012 0.000 0.754 35 L CB -0.533 41.519 42.059 -0.013 0.000 0.893 35 L HN 0.035 nan 8.230 nan 0.000 0.433 40 A N 0.797 123.621 122.820 0.007 0.000 2.498 40 A HA 0.704 5.024 4.320 -0.000 0.000 0.298 40 A C -1.566 175.938 177.584 -0.133 0.000 1.075 40 A CA -0.389 51.614 52.037 -0.057 0.000 0.714 40 A CB 1.993 20.845 19.000 -0.247 0.000 1.299 40 A HN 0.125 nan 8.150 nan 0.000 0.407 44 R N -0.354 120.157 120.500 0.018 0.000 2.947 44 R HA 0.546 4.886 4.340 -0.000 0.000 0.253 44 R C 0.300 176.627 176.300 0.046 0.000 1.208 44 R CA 0.052 56.170 56.100 0.029 0.000 1.012 44 R CB 1.252 31.559 30.300 0.011 0.000 1.267 44 R HN 0.748 nan 8.270 nan 0.000 0.473 45 S N -0.327 115.406 115.700 0.055 0.000 2.701 45 S HA -0.043 4.427 4.470 -0.000 0.000 0.220 45 S C 1.436 176.068 174.600 0.053 0.000 0.954 45 S CA 0.220 58.466 58.200 0.076 0.000 0.936 45 S CB -0.456 62.800 63.200 0.094 0.000 0.777 45 S HN 0.470 nan 8.310 nan 0.000 0.518 46 V N -1.384 118.545 119.914 0.025 0.000 3.623 46 V HA 0.327 4.447 4.120 -0.000 0.000 0.274 46 V C 0.041 176.125 176.094 -0.016 0.000 1.244 46 V CA 0.200 62.501 62.300 0.000 0.000 1.182 46 V CB -1.331 30.489 31.823 -0.005 0.000 0.925 46 V HN 0.423 nan 8.190 nan 0.000 0.462 47 T N 2.407 116.959 114.554 -0.002 0.000 2.985 47 T HA 0.333 4.683 4.350 -0.000 0.000 0.315 47 T C -0.385 174.313 174.700 -0.002 0.000 1.001 47 T CA -0.706 61.387 62.100 -0.012 0.000 1.016 47 T CB 1.224 70.093 68.868 0.001 0.000 0.993 47 T HN 0.755 nan 8.240 nan 0.000 0.454 48 K N 2.279 122.646 120.400 -0.055 0.000 2.402 48 K HA 0.373 4.693 4.320 -0.000 0.000 0.285 48 K C -0.546 176.053 176.600 -0.002 0.000 1.054 48 K CA -0.421 55.844 56.287 -0.037 0.000 1.001 48 K CB 0.292 32.709 32.500 -0.138 0.000 0.946 48 K HN 0.211 nan 8.250 nan 0.000 0.473 49 V N 5.215 125.152 119.914 0.039 0.000 2.333 49 V HA 0.236 4.356 4.120 -0.000 0.000 0.274 49 V C -0.535 175.548 176.094 -0.019 0.000 1.028 49 V CA -0.620 61.691 62.300 0.019 0.000 0.851 49 V CB -0.070 31.790 31.823 0.061 0.000 1.000 49 V HN 1.122 nan 8.190 nan 0.000 0.456 50 N N 2.473 121.115 118.700 -0.096 0.000 3.308 50 N HA 0.213 4.953 4.740 -0.000 0.000 0.276 50 N C 0.504 175.691 175.510 -0.538 0.000 1.533 50 N CA -0.866 52.045 53.050 -0.232 0.000 0.878 50 N CB 1.024 39.398 38.487 -0.188 0.000 1.566 50 N HN 0.216 nan 8.380 nan 0.000 0.546 51 E N 0.514 120.108 120.200 -1.010 0.000 2.019 51 E HA -0.124 4.226 4.350 -0.000 0.000 0.208 51 E C 0.171 176.452 176.600 -0.532 0.000 1.030 51 E CA 1.793 57.474 56.400 -1.198 0.000 0.856 51 E CB -0.269 28.785 29.700 -1.076 0.000 0.781 51 E HN 0.585 nan 8.360 nan 0.000 0.471 55 S N 0.850 116.621 115.700 0.118 0.000 2.593 55 S HA 0.276 4.746 4.470 -0.000 0.000 0.300 55 S C 1.329 176.013 174.600 0.140 0.000 1.267 55 S CA 1.542 59.882 58.200 0.234 0.000 1.065 55 S CB 0.547 63.829 63.200 0.137 0.000 0.807 55 S HN 0.724 nan 8.310 nan 0.000 0.499 56 G N 3.022 111.913 108.800 0.151 0.000 2.179 56 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 56 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 56 G C 0.247 175.195 174.900 0.079 0.000 0.977 56 G CA 0.689 45.846 45.100 0.095 0.000 0.641 56 G HN 1.404 nan 8.290 nan 0.000 0.533 57 T N -2.242 112.368 114.554 0.092 0.000 2.944 57 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 57 T C -0.866 173.884 174.700 0.084 0.000 1.010 57 T CA -0.913 61.233 62.100 0.076 0.000 1.025 57 T CB 2.135 71.045 68.868 0.069 0.000 1.079 57 T HN -0.092 nan 8.240 nan 0.000 0.516 58 P HA 0.182 nan 4.420 nan 0.000 0.226 58 P C 0.247 177.605 177.300 0.097 0.000 1.153 58 P CA 0.223 63.370 63.100 0.078 0.000 0.777 58 P CB -0.312 31.428 31.700 0.066 0.000 0.794 59 I N 1.924 122.555 120.570 0.102 0.000 2.906 59 I HA -0.146 4.024 4.170 -0.000 0.000 0.302 59 I C 1.211 177.417 176.117 0.147 0.000 1.220 59 I CA 0.688 62.062 61.300 0.122 0.000 1.441 59 I CB 0.126 38.195 38.000 0.116 0.000 1.336 59 I HN 0.104 nan 8.210 nan 0.000 0.565 60 N N 6.752 125.557 118.700 0.176 0.000 2.240 60 N HA 0.150 4.890 4.740 -0.000 0.000 0.240 60 N C -0.672 174.979 175.510 0.235 0.000 1.277 60 N CA -0.295 52.886 53.050 0.218 0.000 0.873 60 N CB 0.601 39.246 38.487 0.264 0.000 1.222 60 N HN 0.427 nan 8.380 nan 0.000 0.507 61 F N 0.274 120.219 119.950 -0.007 0.000 2.669 61 F HA 0.613 5.140 4.527 -0.000 0.000 0.315 61 F C -2.072 173.742 175.800 0.023 0.000 1.109 61 F CA -0.984 56.977 58.000 -0.066 0.000 1.028 61 F CB 0.991 39.749 39.000 -0.402 0.000 1.287 61 F HN -0.035 nan 8.300 nan 0.000 0.452 62 V N 3.233 123.042 119.914 -0.175 0.000 2.569 62 V HA 0.877 4.997 4.120 -0.000 0.000 0.301 62 V C -0.434 175.640 176.094 -0.034 0.000 1.044 62 V CA -0.148 62.179 62.300 0.045 0.000 0.874 62 V CB 1.687 33.582 31.823 0.119 0.000 1.002 62 V HN 1.139 nan 8.190 nan 0.000 0.424 63 G N 1.678 110.542 108.800 0.107 0.000 2.513 63 G HA2 0.643 4.602 3.960 -0.000 0.000 0.317 63 G HA3 0.643 4.602 3.960 -0.000 0.000 0.317 63 G C -0.549 174.376 174.900 0.043 0.000 1.277 63 G CA -0.363 44.785 45.100 0.079 0.000 0.955 63 G HN 0.937 nan 8.290 nan 0.000 0.484 64 T N 0.531 115.088 114.554 0.004 0.000 2.815 64 T HA 0.517 4.867 4.350 -0.000 0.000 0.289 64 T C 0.573 175.299 174.700 0.043 0.000 1.000 64 T CA -0.002 62.130 62.100 0.053 0.000 0.958 64 T CB 0.804 69.747 68.868 0.124 0.000 0.944 64 T HN 0.893 nan 8.240 nan 0.000 0.442 65 A N 4.658 127.512 122.820 0.056 0.000 3.029 65 A HA 0.534 4.854 4.320 -0.000 0.000 0.251 65 A C 0.754 178.369 177.584 0.052 0.000 1.749 65 A CA -0.136 51.941 52.037 0.067 0.000 1.386 65 A CB -1.124 17.922 19.000 0.078 0.000 1.043 65 A HN 0.953 nan 8.150 nan 0.000 0.638 66 T N -5.105 109.480 114.554 0.051 0.000 2.769 66 T HA 0.620 4.970 4.350 -0.000 0.000 0.306 66 T C 0.701 175.435 174.700 0.057 0.000 1.400 66 T CA -0.030 62.102 62.100 0.053 0.000 1.007 66 T CB 1.337 70.242 68.868 0.061 0.000 1.392 66 T HN 0.571 nan 8.240 nan 0.000 0.500 67 A N 0.703 123.558 122.820 0.058 0.000 1.935 67 A HA 0.579 4.899 4.320 -0.000 0.000 0.214 67 A C 1.444 179.071 177.584 0.071 0.000 1.178 67 A CA 0.847 52.918 52.037 0.057 0.000 0.640 67 A CB -1.045 17.984 19.000 0.048 0.000 0.825 67 A HN 1.323 nan 8.150 nan 0.000 0.447 68 G N -1.048 107.797 108.800 0.075 0.000 2.432 68 G HA2 0.361 4.321 3.960 -0.000 0.000 0.257 68 G HA3 0.361 4.321 3.960 -0.000 0.000 0.257 68 G C 0.429 175.395 174.900 0.111 0.000 1.238 68 G CA 0.529 45.678 45.100 0.081 0.000 0.838 68 G HN 0.175 nan 8.290 nan 0.000 0.547 69 T N 0.857 115.482 114.554 0.119 0.000 3.393 69 T HA 0.032 4.382 4.350 -0.000 0.000 0.248 69 T C 1.573 176.319 174.700 0.078 0.000 0.992 69 T CA 0.558 62.745 62.100 0.144 0.000 0.929 69 T CB -0.678 68.271 68.868 0.135 0.000 1.065 69 T HN 0.667 nan 8.240 nan 0.000 0.597 70 D N 1.701 122.148 120.400 0.078 0.000 2.549 70 D HA -0.272 4.367 4.640 -0.000 0.000 0.199 70 D C 0.608 176.897 176.300 -0.018 0.000 1.034 70 D CA 1.821 55.853 54.000 0.053 0.000 0.880 70 D CB -0.269 40.598 40.800 0.112 0.000 1.044 70 D HN 0.539 nan 8.370 nan 0.000 0.469 71 H N -1.036 118.057 119.070 0.038 0.000 2.340 71 H HA 0.433 4.989 4.556 -0.000 0.000 0.233 71 H C -1.029 174.304 175.328 0.008 0.000 1.435 71 H CA -0.493 55.564 56.048 0.016 0.000 1.389 71 H CB 0.341 30.107 29.762 0.007 0.000 1.491 71 H HN -0.068 nan 8.280 nan 0.000 0.518 72 V N 2.290 122.221 119.914 0.029 0.000 2.376 72 V HA -0.013 4.107 4.120 -0.000 0.000 0.287 72 V C 0.363 176.383 176.094 -0.123 0.000 1.015 72 V CA -0.943 61.324 62.300 -0.054 0.000 0.834 72 V CB 1.845 33.569 31.823 -0.166 0.000 1.001 72 V HN 0.491 nan 8.190 nan 0.000 0.428 73 D N 3.491 123.848 120.400 -0.070 0.000 2.597 73 D HA -0.018 4.622 4.640 -0.000 0.000 0.228 73 D C 1.279 177.549 176.300 -0.050 0.000 1.120 73 D CA 0.331 54.304 54.000 -0.045 0.000 1.083 73 D CB 0.432 41.221 40.800 -0.019 0.000 1.116 73 D HN 0.704 nan 8.370 nan 0.000 0.487 74 E N 2.127 122.222 120.200 -0.176 0.000 2.106 74 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 74 E C 1.724 178.257 176.600 -0.113 0.000 0.984 74 E CA 0.824 57.050 56.400 -0.289 0.000 0.806 74 E CB 0.102 29.557 29.700 -0.409 0.000 0.750 74 E HN 0.523 nan 8.360 nan 0.000 0.458 75 A N 1.062 123.859 122.820 -0.038 0.000 1.884 75 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 75 A C 1.907 179.513 177.584 0.037 0.000 1.197 75 A CA 1.735 53.773 52.037 0.002 0.000 0.637 75 A CB -1.492 17.521 19.000 0.023 0.000 0.827 75 A HN 0.677 nan 8.150 nan 0.000 0.450 76 W N 0.081 121.336 121.300 -0.074 0.000 2.350 76 W HA -0.131 4.529 4.660 -0.000 0.000 0.289 76 W C 1.555 178.044 176.519 -0.051 0.000 1.215 76 W CA 1.668 58.981 57.345 -0.053 0.000 1.236 76 W CB -0.216 29.216 29.460 -0.047 0.000 1.130 76 W HN 0.263 nan 8.180 nan 0.000 0.541 77 L N 1.113 122.352 121.223 0.027 0.000 2.046 77 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 77 L C 2.618 179.378 176.870 -0.184 0.000 1.077 77 L CA 1.864 56.638 54.840 -0.111 0.000 0.747 77 L CB -1.415 40.612 42.059 -0.053 0.000 0.896 77 L HN -0.064 nan 8.230 nan 0.000 0.432 78 K N -0.675 119.646 120.400 -0.132 0.000 2.009 78 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 78 K C 2.177 178.681 176.600 -0.160 0.000 1.049 78 K CA 1.629 57.854 56.287 -0.104 0.000 0.929 78 K CB -0.111 32.350 32.500 -0.065 0.000 0.714 78 K HN 0.360 nan 8.250 nan 0.000 0.440 79 Q N -0.193 119.471 119.800 -0.227 0.000 2.167 79 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 79 Q C 1.495 177.279 176.000 -0.361 0.000 0.970 79 Q CA 1.390 57.037 55.803 -0.259 0.000 0.855 79 Q CB 0.016 28.599 28.738 -0.258 0.000 0.911 79 Q HN 0.349 nan 8.270 nan 0.000 0.438 80 A N -0.386 122.083 122.820 -0.585 0.000 2.238 80 A HA 0.234 4.554 4.320 -0.000 0.000 0.208 80 A C 1.331 178.740 177.584 -0.292 0.000 1.177 80 A CA 0.864 52.541 52.037 -0.599 0.000 0.804 80 A CB -0.398 17.903 19.000 -1.165 0.000 0.823 80 A HN 0.548 nan 8.150 nan 0.000 0.482 81 G N -0.663 108.018 108.800 -0.199 0.000 2.221 81 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.265 81 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.265 81 G C -0.019 174.877 174.900 -0.006 0.000 1.041 81 G CA 0.497 45.548 45.100 -0.081 0.000 0.807 81 G HN 0.497 nan 8.290 nan 0.000 0.502 82 I N 1.102 121.657 120.570 -0.025 0.000 2.336 82 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 82 I C 1.328 177.521 176.117 0.127 0.000 0.991 82 I CA -0.416 60.928 61.300 0.074 0.000 1.227 82 I CB 1.513 39.528 38.000 0.024 0.000 1.366 82 I HN 0.158 nan 8.210 nan 0.000 0.466 83 G N 4.978 113.950 108.800 0.286 0.000 2.667 83 G HA2 0.360 4.320 3.960 -0.000 0.000 0.250 83 G HA3 0.360 4.320 3.960 -0.000 0.000 0.250 83 G C -1.200 173.597 174.900 -0.171 0.000 1.212 83 G CA 0.105 45.366 45.100 0.268 0.000 0.874 83 G HN 0.480 nan 8.290 nan 0.000 0.561 84 F N -0.505 119.179 119.950 -0.444 0.000 2.650 84 F HA 0.607 5.134 4.527 -0.000 0.000 0.310 84 F C -0.663 174.942 175.800 -0.325 0.000 1.112 84 F CA -0.821 56.843 58.000 -0.560 0.000 0.986 84 F CB 1.998 40.862 39.000 -0.226 0.000 1.285 84 F HN 0.608 nan 8.300 nan 0.000 0.440 85 S N 2.905 117.782 115.700 -1.372 0.000 2.543 85 S HA 0.894 5.364 4.470 -0.000 0.000 0.271 85 S C -0.816 173.078 174.600 -1.176 0.000 1.148 85 S CA 0.041 57.654 58.200 -0.978 0.000 0.914 85 S CB 1.471 64.590 63.200 -0.135 0.000 1.096 85 S HN 1.115 nan 8.310 nan 0.000 0.471 86 A N 2.149 124.507 122.820 -0.770 0.000 3.068 86 A HA 0.955 5.275 4.320 -0.000 0.000 0.229 86 A C -0.102 177.420 177.584 -0.103 0.000 1.561 86 A CA -0.112 51.761 52.037 -0.273 0.000 0.876 86 A CB 0.208 19.195 19.000 -0.022 0.000 1.700 86 A HN 1.397 nan 8.150 nan 0.000 0.535 87 A N 0.792 123.606 122.820 -0.010 0.000 3.258 87 A HA 0.612 4.932 4.320 -0.000 0.000 0.318 87 A C -2.785 174.817 177.584 0.030 0.000 0.990 87 A CA -1.391 50.657 52.037 0.019 0.000 0.885 87 A CB -0.243 18.780 19.000 0.039 0.000 1.090 87 A HN 0.417 nan 8.150 nan 0.000 0.479 88 P HA 0.092 nan 4.420 nan 0.000 0.260 88 P C 1.138 178.455 177.300 0.028 0.000 1.172 88 P CA 2.232 65.354 63.100 0.037 0.000 0.760 88 P CB 0.516 32.240 31.700 0.041 0.000 0.773 89 G N 2.752 111.567 108.800 0.024 0.000 2.184 89 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.264 89 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.264 89 G C 1.092 175.998 174.900 0.009 0.000 0.975 89 G CA 0.241 45.348 45.100 0.012 0.000 0.642 89 G HN 0.689 nan 8.290 nan 0.000 0.536 90 C N 0.140 119.451 119.300 0.019 0.000 2.422 90 C HA 0.049 4.509 4.460 -0.000 0.000 0.279 90 C C 2.169 177.165 174.990 0.010 0.000 1.305 90 C CA 1.632 60.661 59.018 0.018 0.000 1.757 90 C CB -0.885 26.873 27.740 0.030 0.000 1.962 90 C HN 0.800 nan 8.230 nan 0.000 0.499 91 N N 1.376 120.083 118.700 0.012 0.000 2.203 91 N HA 0.333 5.073 4.740 -0.000 0.000 0.207 91 N C 1.213 176.714 175.510 -0.014 0.000 1.130 91 N CA 0.665 53.719 53.050 0.007 0.000 0.861 91 N CB -0.517 37.991 38.487 0.034 0.000 1.005 91 N HN 0.549 nan 8.380 nan 0.000 0.507 92 A N 1.318 124.125 122.820 -0.021 0.000 1.883 92 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 92 A C 2.064 179.608 177.584 -0.067 0.000 1.186 92 A CA 1.075 53.086 52.037 -0.043 0.000 0.624 92 A CB -0.725 18.252 19.000 -0.040 0.000 0.822 92 A HN 0.309 nan 8.150 nan 0.000 0.444 93 I N -0.366 120.160 120.570 -0.073 0.000 2.493 93 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 93 I C 2.892 178.917 176.117 -0.153 0.000 1.160 93 I CA 0.735 61.964 61.300 -0.118 0.000 1.445 93 I CB -0.261 37.665 38.000 -0.124 0.000 1.086 93 I HN 0.372 nan 8.210 nan 0.000 0.433 94 A N 0.594 123.349 122.820 -0.109 0.000 1.883 94 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 94 A C 2.399 179.950 177.584 -0.056 0.000 1.186 94 A CA 1.910 53.885 52.037 -0.104 0.000 0.624 94 A CB -0.933 18.029 19.000 -0.062 0.000 0.822 94 A HN 0.242 nan 8.150 nan 0.000 0.444 95 V N -0.460 119.429 119.914 -0.041 0.000 2.427 95 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 95 V C 2.534 178.675 176.094 0.078 0.000 1.051 95 V CA 1.794 64.097 62.300 0.005 0.000 1.048 95 V CB -0.790 31.021 31.823 -0.021 0.000 0.666 95 V HN 0.361 nan 8.190 nan 0.000 0.456 96 V N 0.186 120.096 119.914 -0.005 0.000 2.343 96 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 96 V C 2.384 178.552 176.094 0.122 0.000 1.051 96 V CA 2.129 64.458 62.300 0.048 0.000 1.036 96 V CB -0.636 31.191 31.823 0.008 0.000 0.654 96 V HN 0.632 nan 8.190 nan 0.000 0.451 97 E N -1.318 118.810 120.200 -0.121 0.000 2.274 97 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 97 E C 1.968 178.701 176.600 0.222 0.000 0.996 97 E CA 1.042 57.262 56.400 -0.299 0.000 0.840 97 E CB -0.151 28.957 29.700 -0.987 0.000 0.772 97 E HN 0.806 nan 8.360 nan 0.000 0.491 98 Y N 0.992 121.383 120.300 0.151 0.000 2.163 98 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 98 Y C 2.142 178.202 175.900 0.267 0.000 1.136 98 Y CA 1.090 59.377 58.100 0.312 0.000 1.147 98 Y CB -0.113 38.472 38.460 0.209 0.000 0.987 98 Y HN -0.200 nan 8.280 nan 0.000 0.509 99 V N 0.143 120.313 119.914 0.426 0.000 2.287 99 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 99 V C 2.116 178.298 176.094 0.146 0.000 1.053 99 V CA 2.233 64.678 62.300 0.241 0.000 1.027 99 V CB -0.911 31.015 31.823 0.172 0.000 0.646 99 V HN 0.403 nan 8.190 nan 0.000 0.447 100 F N 0.135 120.218 119.950 0.222 0.000 2.146 100 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 100 F C 2.824 178.810 175.800 0.309 0.000 1.096 100 F CA 1.802 59.983 58.000 0.301 0.000 1.275 100 F CB -0.702 38.604 39.000 0.510 0.000 1.008 100 F HN 0.063 nan 8.300 nan 0.000 0.480 101 S N -0.176 115.844 115.700 0.533 0.000 2.365 101 S HA -0.271 4.199 4.470 -0.000 0.000 0.225 101 S C 2.321 177.084 174.600 0.272 0.000 1.039 101 S CA 1.427 59.892 58.200 0.442 0.000 1.033 101 S CB -0.606 62.750 63.200 0.261 0.000 0.887 101 S HN 0.338 nan 8.310 nan 0.000 0.447 102 A N 0.946 123.800 122.820 0.055 0.000 1.898 102 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 102 A C 2.224 179.859 177.584 0.084 0.000 1.181 102 A CA 1.332 53.367 52.037 -0.004 0.000 0.620 102 A CB -0.705 18.234 19.000 -0.103 0.000 0.819 102 A HN 0.570 nan 8.150 nan 0.000 0.442 103 L N -0.534 120.757 121.223 0.112 0.000 2.093 103 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 103 L C 1.187 178.123 176.870 0.109 0.000 1.085 103 L CA 0.196 55.108 54.840 0.120 0.000 0.755 103 L CB -0.498 41.606 42.059 0.076 0.000 0.904 103 L HN 0.319 nan 8.230 nan 0.000 0.435 107 A N 0.472 123.006 122.820 -0.476 0.000 1.933 107 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 107 A C 1.963 179.136 177.584 -0.684 0.000 1.175 107 A CA 2.238 53.553 52.037 -1.202 0.000 0.628 107 A CB -0.317 18.237 19.000 -0.744 0.000 0.814 107 A HN 0.515 nan 8.150 nan 0.000 0.444 108 E N -0.397 119.602 120.200 -0.335 0.000 2.046 108 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 108 E C 2.324 178.838 176.600 -0.144 0.000 0.982 108 E CA 0.833 57.112 56.400 -0.202 0.000 0.800 108 E CB -0.209 29.415 29.700 -0.127 0.000 0.756 108 E HN 0.572 nan 8.360 nan 0.000 0.449 109 R N 0.323 120.760 120.500 -0.105 0.000 2.083 109 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 109 R C 0.800 177.085 176.300 -0.025 0.000 1.137 109 R CA 1.978 58.053 56.100 -0.041 0.000 0.951 109 R CB -0.017 30.281 30.300 -0.004 0.000 0.851 109 R HN 0.134 nan 8.270 nan 0.000 0.434 110 D N -1.031 119.353 120.400 -0.026 0.000 2.342 110 D HA 0.126 4.766 4.640 -0.000 0.000 0.221 110 D C 0.338 176.677 176.300 0.065 0.000 1.101 110 D CA 0.743 54.790 54.000 0.078 0.000 0.837 110 D CB 0.603 41.561 40.800 0.264 0.000 0.938 110 D HN 0.500 nan 8.370 nan 0.000 0.508 111 G N 1.802 110.552 108.800 -0.084 0.000 2.366 111 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.299 111 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.299 111 G C 0.030 174.941 174.900 0.018 0.000 1.020 111 G CA 0.664 45.727 45.100 -0.061 0.000 1.026 111 G HN 0.403 nan 8.290 nan 0.000 0.512 112 F N -1.043 118.909 119.950 0.003 0.000 2.579 112 F HA 0.884 5.411 4.527 -0.000 0.000 0.324 112 F C 0.120 175.922 175.800 0.004 0.000 1.058 112 F CA -1.640 56.362 58.000 0.003 0.000 0.944 112 F CB 1.382 40.385 39.000 0.005 0.000 1.245 112 F HN 0.255 nan 8.300 nan 0.000 0.477 113 S N 2.163 118.000 115.700 0.230 0.000 2.499 113 S HA 0.358 4.828 4.470 -0.000 0.000 0.279 113 S C 0.846 175.607 174.600 0.268 0.000 1.219 113 S CA -0.764 57.521 58.200 0.142 0.000 1.062 113 S CB 0.628 63.884 63.200 0.093 0.000 0.978 113 S HN 0.856 nan 8.310 nan 0.000 0.489 114 L N 4.449 125.788 121.223 0.193 0.000 2.083 114 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 114 L C 2.627 179.591 176.870 0.157 0.000 1.083 114 L CA 1.148 56.126 54.840 0.229 0.000 0.752 114 L CB -0.328 41.841 42.059 0.184 0.000 0.899 114 L HN 0.746 nan 8.230 nan 0.000 0.433 115 R N -0.216 120.353 120.500 0.115 0.000 2.293 115 R HA -0.141 4.199 4.340 -0.000 0.000 0.219 115 R C 1.004 177.343 176.300 0.065 0.000 1.091 115 R CA 0.845 56.993 56.100 0.080 0.000 1.004 115 R CB -0.185 30.150 30.300 0.059 0.000 0.865 115 R HN 0.403 nan 8.270 nan 0.000 0.469 116 D N -0.159 120.289 120.400 0.080 0.000 2.350 116 D HA 0.019 4.659 4.640 -0.000 0.000 0.213 116 D C 0.410 176.718 176.300 0.013 0.000 1.031 116 D CA 0.433 54.462 54.000 0.048 0.000 0.861 116 D CB 0.337 41.172 40.800 0.058 0.000 0.926 116 D HN -0.058 nan 8.370 nan 0.000 0.520 117 R N 0.359 120.869 120.500 0.018 0.000 2.560 117 R HA 0.408 4.748 4.340 -0.000 0.000 0.270 117 R C 0.115 176.400 176.300 -0.024 0.000 1.074 117 R CA -0.002 56.072 56.100 -0.042 0.000 1.140 117 R CB 0.258 30.532 30.300 -0.043 0.000 1.073 117 R HN -0.168 nan 8.270 nan 0.000 0.527 118 T N 2.434 116.961 114.554 -0.045 0.000 2.786 118 T HA 0.505 4.855 4.350 -0.000 0.000 0.283 118 T C 0.267 174.942 174.700 -0.041 0.000 0.992 118 T CA -0.471 61.609 62.100 -0.033 0.000 0.954 118 T CB 0.781 69.629 68.868 -0.034 0.000 0.934 118 T HN 0.290 nan 8.240 nan 0.000 0.440 119 I N 2.850 123.400 120.570 -0.033 0.000 2.330 119 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 119 I C 0.931 177.020 176.117 -0.047 0.000 1.001 119 I CA -0.813 60.462 61.300 -0.043 0.000 1.193 119 I CB 1.406 39.383 38.000 -0.039 0.000 1.345 119 I HN 0.671 nan 8.210 nan 0.000 0.461 120 G N 7.562 116.320 108.800 -0.070 0.000 2.320 120 G HA2 0.594 4.554 3.960 -0.000 0.000 0.300 120 G HA3 0.594 4.554 3.960 -0.000 0.000 0.300 120 G C -0.410 174.418 174.900 -0.120 0.000 1.126 120 G CA -0.387 44.660 45.100 -0.088 0.000 0.896 120 G HN 0.549 nan 8.290 nan 0.000 0.436 121 I N 2.787 123.312 120.570 -0.076 0.000 2.307 121 I HA 0.154 4.324 4.170 -0.000 0.000 0.289 121 I C -0.278 175.788 176.117 -0.084 0.000 1.021 121 I CA -0.749 60.521 61.300 -0.050 0.000 1.224 121 I CB 1.921 39.941 38.000 0.034 0.000 1.376 121 I HN 0.043 nan 8.210 nan 0.000 0.470 122 V N 5.768 125.555 119.914 -0.211 0.000 2.334 122 V HA 0.643 4.763 4.120 -0.000 0.000 0.267 122 V C 0.604 176.675 176.094 -0.038 0.000 1.040 122 V CA -0.466 61.712 62.300 -0.204 0.000 0.866 122 V CB 0.461 31.985 31.823 -0.499 0.000 1.019 122 V HN 1.065 nan 8.190 nan 0.000 0.468 123 G N 3.788 112.596 108.800 0.013 0.000 3.251 123 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.680 123 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.680 123 G C -0.760 174.181 174.900 0.068 0.000 1.129 123 G CA -0.465 44.660 45.100 0.042 0.000 0.994 123 G HN 0.876 nan 8.290 nan 0.000 0.450 124 V N 3.171 123.111 119.914 0.043 0.000 2.435 124 V HA 0.685 4.805 4.120 -0.000 0.000 0.263 124 V C 1.276 177.394 176.094 0.040 0.000 1.087 124 V CA 0.538 62.878 62.300 0.067 0.000 1.253 124 V CB 0.156 32.072 31.823 0.156 0.000 1.462 124 V HN 1.214 nan 8.190 nan 0.000 0.547 125 G N 0.698 109.510 108.800 0.019 0.000 3.271 125 G HA2 0.156 4.116 3.960 -0.000 0.000 0.174 125 G HA3 0.156 4.116 3.960 -0.000 0.000 0.174 125 G C 0.795 175.696 174.900 0.003 0.000 1.385 125 G CA -0.083 45.024 45.100 0.011 0.000 0.979 125 G HN 0.319 nan 8.290 nan 0.000 0.610 126 N N -0.459 118.240 118.700 -0.002 0.000 2.142 126 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 126 N C 2.357 177.841 175.510 -0.043 0.000 1.023 126 N CA 1.318 54.362 53.050 -0.010 0.000 0.852 126 N CB -0.093 38.393 38.487 -0.000 0.000 0.998 126 N HN 0.133 nan 8.380 nan 0.000 0.424 127 V N 0.689 120.555 119.914 -0.080 0.000 2.302 127 V HA -0.054 4.066 4.120 -0.000 0.000 0.243 127 V C 2.516 178.466 176.094 -0.240 0.000 1.036 127 V CA 1.893 64.082 62.300 -0.186 0.000 1.020 127 V CB -1.106 30.547 31.823 -0.283 0.000 0.657 127 V HN 0.291 nan 8.190 nan 0.000 0.453 128 G N 0.647 109.332 108.800 -0.191 0.000 2.418 128 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 128 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 128 G C 1.847 176.727 174.900 -0.033 0.000 1.158 128 G CA 1.434 46.465 45.100 -0.115 0.000 0.771 128 G HN 0.628 nan 8.290 nan 0.000 0.545 129 S N 0.285 115.983 115.700 -0.003 0.000 2.402 129 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 129 S C 2.209 176.822 174.600 0.021 0.000 1.021 129 S CA 0.877 59.093 58.200 0.026 0.000 0.974 129 S CB -0.210 63.016 63.200 0.043 0.000 0.800 129 S HN 0.416 nan 8.310 nan 0.000 0.484 130 R N 0.276 120.776 120.500 -0.001 0.000 2.073 130 R HA 0.131 4.471 4.340 -0.000 0.000 0.229 130 R C 2.336 178.667 176.300 0.050 0.000 1.120 130 R CA 1.102 57.211 56.100 0.014 0.000 0.967 130 R CB -0.632 29.660 30.300 -0.013 0.000 0.862 130 R HN 0.359 nan 8.270 nan 0.000 0.436 131 L N 1.670 122.904 121.223 0.017 0.000 1.990 131 L HA -0.277 4.062 4.340 -0.000 0.000 0.213 131 L C 2.432 179.364 176.870 0.103 0.000 1.072 131 L CA 1.907 56.789 54.840 0.070 0.000 0.755 131 L CB -0.768 41.264 42.059 -0.045 0.000 0.889 131 L HN 0.219 nan 8.230 nan 0.000 0.432 132 Q N -1.319 118.515 119.800 0.057 0.000 2.077 132 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 132 Q C 1.916 177.966 176.000 0.084 0.000 0.989 132 Q CA 2.808 58.648 55.803 0.061 0.000 0.853 132 Q CB -0.250 28.514 28.738 0.043 0.000 0.907 132 Q HN 0.606 nan 8.270 nan 0.000 0.418 133 T N 0.675 115.278 114.554 0.082 0.000 2.788 133 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 133 T C 1.765 176.537 174.700 0.120 0.000 1.044 133 T CA 1.445 63.595 62.100 0.083 0.000 1.139 133 T CB -0.142 68.766 68.868 0.066 0.000 0.867 133 T HN 0.337 nan 8.240 nan 0.000 0.454 134 R N 0.290 120.897 120.500 0.178 0.000 2.090 134 R HA 0.140 4.480 4.340 -0.000 0.000 0.228 134 R C 2.452 178.950 176.300 0.330 0.000 1.110 134 R CA 0.804 57.050 56.100 0.244 0.000 0.973 134 R CB -0.417 30.066 30.300 0.306 0.000 0.869 134 R HN 0.358 nan 8.270 nan 0.000 0.440 135 L N 0.488 121.914 121.223 0.338 0.000 2.056 135 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 135 L C 2.218 179.186 176.870 0.164 0.000 1.078 135 L CA 1.372 56.374 54.840 0.270 0.000 0.749 135 L CB -0.415 41.732 42.059 0.146 0.000 0.901 135 L HN 0.170 nan 8.230 nan 0.000 0.433 136 E N 0.309 120.580 120.200 0.118 0.000 2.070 136 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 136 E C 2.275 178.921 176.600 0.077 0.000 1.004 136 E CA 1.515 57.961 56.400 0.078 0.000 0.805 136 E CB -0.224 29.509 29.700 0.055 0.000 0.744 136 E HN 0.495 nan 8.360 nan 0.000 0.451 137 A N 0.411 123.285 122.820 0.091 0.000 1.978 137 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 137 A C 2.017 179.643 177.584 0.070 0.000 1.170 137 A CA 1.153 53.234 52.037 0.073 0.000 0.636 137 A CB -0.421 18.626 19.000 0.079 0.000 0.810 137 A HN 0.206 nan 8.150 nan 0.000 0.448 138 L N -1.548 119.736 121.223 0.101 0.000 2.591 138 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 138 L C 1.651 178.565 176.870 0.073 0.000 1.133 138 L CA 0.502 55.399 54.840 0.094 0.000 0.880 138 L CB -0.067 42.084 42.059 0.153 0.000 1.033 138 L HN 0.577 nan 8.230 nan 0.000 0.450 139 G N 0.966 109.805 108.800 0.065 0.000 2.143 139 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 139 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 139 G C 0.211 175.141 174.900 0.050 0.000 0.991 139 G CA -0.136 44.992 45.100 0.047 0.000 0.689 139 G HN 0.287 nan 8.290 nan 0.000 0.522 140 I N 0.716 121.328 120.570 0.070 0.000 2.496 140 I HA 0.214 4.383 4.170 -0.000 0.000 0.285 140 I C 1.304 177.444 176.117 0.039 0.000 1.080 140 I CA -0.531 60.806 61.300 0.062 0.000 1.404 140 I CB 0.788 38.839 38.000 0.085 0.000 1.403 140 I HN 0.147 nan 8.210 nan 0.000 0.539 141 R N 4.854 125.367 120.500 0.022 0.000 2.442 141 R HA 0.235 4.575 4.340 -0.000 0.000 0.291 141 R C -0.650 175.651 176.300 0.001 0.000 1.069 141 R CA -0.016 56.089 56.100 0.008 0.000 1.022 141 R CB 0.538 30.838 30.300 -0.001 0.000 0.976 141 R HN 0.790 nan 8.270 nan 0.000 0.443 142 T N 2.402 116.954 114.554 -0.004 0.000 2.881 142 T HA 0.453 4.803 4.350 -0.000 0.000 0.290 142 T C -0.263 174.426 174.700 -0.019 0.000 1.000 142 T CA -0.908 61.187 62.100 -0.008 0.000 0.978 142 T CB 1.312 70.181 68.868 0.002 0.000 0.997 142 T HN 0.378 nan 8.240 nan 0.000 0.443 143 L N 3.212 124.422 121.223 -0.022 0.000 2.307 143 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 143 L C -0.519 176.345 176.870 -0.010 0.000 1.023 143 L CA -1.107 53.719 54.840 -0.022 0.000 0.810 143 L CB 1.575 43.619 42.059 -0.025 0.000 1.231 143 L HN 0.515 nan 8.230 nan 0.000 0.423 144 L N 3.037 124.264 121.223 0.007 0.000 2.307 144 L HA 0.545 4.885 4.340 -0.000 0.000 0.284 144 L C -0.616 176.341 176.870 0.144 0.000 1.023 144 L CA -0.456 54.428 54.840 0.074 0.000 0.810 144 L CB 1.966 44.066 42.059 0.070 0.000 1.231 144 L HN 0.608 nan 8.230 nan 0.000 0.423 145 C N 2.902 122.279 119.300 0.129 0.000 2.397 145 C HA 0.609 5.069 4.460 -0.000 0.000 0.325 145 C C -1.024 174.005 174.990 0.065 0.000 1.201 145 C CA -0.228 58.856 59.018 0.111 0.000 1.377 145 C CB 0.756 28.511 27.740 0.025 0.000 2.038 145 C HN 0.912 nan 8.230 nan 0.000 0.457 146 D N 6.345 126.737 120.400 -0.013 0.000 2.634 146 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 146 D C -2.060 174.030 176.300 -0.350 0.000 1.323 146 D CA -0.640 53.231 54.000 -0.215 0.000 0.884 146 D CB 1.567 42.169 40.800 -0.329 0.000 1.496 146 D HN 0.248 nan 8.370 nan 0.000 0.525 147 P HA -0.054 nan 4.420 nan 0.000 0.215 147 P C -1.620 175.461 177.300 -0.365 0.000 1.153 147 P CA 0.989 63.973 63.100 -0.193 0.000 0.853 147 P CB -0.279 31.429 31.700 0.015 0.000 0.788 148 P HA -0.053 nan 4.420 nan 0.000 0.217 148 P C 1.495 178.582 177.300 -0.354 0.000 1.151 148 P CA 1.410 64.156 63.100 -0.590 0.000 0.828 148 P CB -0.283 31.001 31.700 -0.693 0.000 0.788 149 R N -0.262 119.970 120.500 -0.446 0.000 2.081 149 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 149 R C 2.291 178.304 176.300 -0.478 0.000 1.131 149 R CA 1.539 57.355 56.100 -0.473 0.000 0.960 149 R CB -1.097 28.807 30.300 -0.660 0.000 0.856 149 R HN 0.139 nan 8.270 nan 0.000 0.436 150 A N 1.349 123.799 122.820 -0.618 0.000 1.902 150 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 150 A C 2.379 179.930 177.584 -0.055 0.000 1.181 150 A CA 1.727 53.632 52.037 -0.221 0.000 0.623 150 A CB -0.618 18.337 19.000 -0.076 0.000 0.818 150 A HN 0.398 nan 8.150 nan 0.000 0.443 151 A N -0.589 122.189 122.820 -0.070 0.000 1.930 151 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 151 A C 2.196 179.782 177.584 0.004 0.000 1.175 151 A CA 1.596 53.637 52.037 0.006 0.000 0.627 151 A CB -0.439 18.599 19.000 0.063 0.000 0.815 151 A HN 0.511 nan 8.150 nan 0.000 0.443 152 R N -0.974 119.508 120.500 -0.029 0.000 2.285 152 R HA 0.026 4.366 4.340 -0.000 0.000 0.213 152 R C 1.194 177.502 176.300 0.013 0.000 1.068 152 R CA 0.866 56.959 56.100 -0.011 0.000 1.004 152 R CB -0.324 29.957 30.300 -0.033 0.000 0.873 152 R HN 0.762 nan 8.270 nan 0.000 0.467 153 G N 0.871 109.687 108.800 0.027 0.000 2.137 153 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 153 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 153 G C -0.716 174.240 174.900 0.093 0.000 1.002 153 G CA 0.133 45.270 45.100 0.061 0.000 0.702 153 G HN 0.377 nan 8.290 nan 0.000 0.515 154 D N 0.673 121.142 120.400 0.114 0.000 2.472 154 D HA 0.300 4.940 4.640 -0.000 0.000 0.237 154 D C 0.908 177.358 176.300 0.249 0.000 1.141 154 D CA 0.200 54.305 54.000 0.175 0.000 0.875 154 D CB 0.634 41.550 40.800 0.193 0.000 1.192 154 D HN 0.550 nan 8.370 nan 0.000 0.450 155 E N 0.400 120.689 120.200 0.148 0.000 2.452 155 E HA 0.304 4.654 4.350 -0.000 0.000 0.261 155 E C 0.296 176.920 176.600 0.040 0.000 0.987 155 E CA 0.149 56.596 56.400 0.080 0.000 0.926 155 E CB 0.283 30.011 29.700 0.045 0.000 0.934 155 E HN 0.587 nan 8.360 nan 0.000 0.452 156 G N 3.296 112.022 108.800 -0.122 0.000 2.357 156 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.643 156 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.643 156 G C -1.606 172.926 174.900 -0.614 0.000 1.358 156 G CA -0.479 44.359 45.100 -0.436 0.000 0.986 156 G HN 0.635 nan 8.290 nan 0.000 0.620 157 D N -0.352 119.608 120.400 -0.733 0.000 2.454 157 D HA 0.654 5.294 4.640 -0.000 0.000 0.247 157 D C -0.607 175.376 176.300 -0.529 0.000 1.129 157 D CA -0.427 53.289 54.000 -0.474 0.000 0.877 157 D CB 0.382 41.047 40.800 -0.226 0.000 1.082 157 D HN 0.306 nan 8.370 nan 0.000 0.537 158 F N 3.240 123.189 119.950 -0.001 0.000 2.415 158 F HA 0.501 5.028 4.527 0.000 0.000 0.348 158 F C 0.925 176.724 175.800 -0.002 0.000 1.119 158 F CA -0.856 57.141 58.000 -0.004 0.000 1.069 158 F CB 0.872 39.869 39.000 -0.006 0.000 1.124 158 F HN 0.099 nan 8.300 nan 0.000 0.472 159 R N 0.187 120.780 120.500 0.155 0.000 2.705 159 R HA 0.525 4.864 4.340 -0.000 0.000 0.246 159 R C -0.007 176.347 176.300 0.090 0.000 1.142 159 R CA -0.820 55.333 56.100 0.088 0.000 1.114 159 R CB 0.180 30.505 30.300 0.041 0.000 1.256 159 R HN 0.660 nan 8.270 nan 0.000 0.536 160 T N -1.864 112.726 114.554 0.061 0.000 2.899 160 T HA 0.151 4.501 4.350 -0.000 0.000 0.284 160 T C 1.317 176.042 174.700 0.041 0.000 1.004 160 T CA -0.758 61.375 62.100 0.055 0.000 1.043 160 T CB 0.777 69.673 68.868 0.047 0.000 1.013 160 T HN 0.322 nan 8.240 nan 0.000 0.518 161 L N 1.110 122.360 121.223 0.044 0.000 2.043 161 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 161 L C 2.017 178.905 176.870 0.029 0.000 1.075 161 L CA 1.969 56.830 54.840 0.034 0.000 0.752 161 L CB -1.111 40.985 42.059 0.062 0.000 0.891 161 L HN 0.757 nan 8.230 nan 0.000 0.432 162 D N -0.374 120.046 120.400 0.034 0.000 2.123 162 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 162 D C 2.062 178.372 176.300 0.016 0.000 0.992 162 D CA 1.631 55.647 54.000 0.026 0.000 0.833 162 D CB 0.007 40.823 40.800 0.027 0.000 0.954 162 D HN 0.567 nan 8.370 nan 0.000 0.455 163 E N -0.093 120.116 120.200 0.016 0.000 2.072 163 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 163 E C 2.207 178.806 176.600 -0.002 0.000 0.985 163 E CA 0.248 56.653 56.400 0.008 0.000 0.801 163 E CB -0.007 29.701 29.700 0.012 0.000 0.750 163 E HN 0.083 nan 8.360 nan 0.000 0.452 164 L N 0.491 121.711 121.223 -0.006 0.000 1.990 164 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 164 L C 2.402 179.257 176.870 -0.025 0.000 1.072 164 L CA 1.407 56.231 54.840 -0.026 0.000 0.755 164 L CB -0.822 41.206 42.059 -0.050 0.000 0.889 164 L HN 0.036 nan 8.230 nan 0.000 0.432 165 V N -0.973 118.934 119.914 -0.011 0.000 2.282 165 V HA -0.380 3.740 4.120 -0.000 0.000 0.249 165 V C 2.500 178.591 176.094 -0.005 0.000 1.057 165 V CA 1.922 64.221 62.300 -0.001 0.000 1.032 165 V CB -0.645 31.190 31.823 0.019 0.000 0.645 165 V HN 0.549 nan 8.190 nan 0.000 0.447 166 Q N -0.892 118.906 119.800 -0.003 0.000 2.170 166 Q HA -0.242 4.098 4.340 -0.000 0.000 0.203 166 Q C 2.157 178.149 176.000 -0.012 0.000 0.976 166 Q CA 1.893 57.693 55.803 -0.005 0.000 0.858 166 Q CB -0.004 28.733 28.738 -0.001 0.000 0.907 166 Q HN 0.695 nan 8.270 nan 0.000 0.433 167 E N -1.043 119.147 120.200 -0.017 0.000 2.453 167 E HA 0.220 4.570 4.350 -0.000 0.000 0.211 167 E C -0.595 175.987 176.600 -0.031 0.000 0.897 167 E CA -0.005 56.383 56.400 -0.022 0.000 1.063 167 E CB 0.712 30.401 29.700 -0.018 0.000 1.080 167 E HN 0.239 nan 8.360 nan 0.000 0.512 168 A N 1.115 123.913 122.820 -0.036 0.000 2.304 168 A HA 0.293 4.613 4.320 -0.000 0.000 0.301 168 A C -0.177 177.375 177.584 -0.054 0.000 1.132 168 A CA -0.230 51.779 52.037 -0.047 0.000 0.819 168 A CB 0.486 19.452 19.000 -0.056 0.000 1.094 168 A HN 0.262 nan 8.150 nan 0.000 0.492 169 D N 0.009 120.367 120.400 -0.070 0.000 2.433 169 D HA 0.252 4.892 4.640 -0.000 0.000 0.211 169 D C -0.310 175.933 176.300 -0.095 0.000 1.114 169 D CA 0.076 54.022 54.000 -0.090 0.000 0.837 169 D CB 0.219 40.943 40.800 -0.126 0.000 0.984 169 D HN 0.140 nan 8.370 nan 0.000 0.505 170 V N 1.077 120.945 119.914 -0.077 0.000 2.531 170 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 170 V C -1.243 174.811 176.094 -0.068 0.000 1.034 170 V CA -0.946 61.318 62.300 -0.061 0.000 0.865 170 V CB 2.091 33.882 31.823 -0.052 0.000 0.995 170 V HN 0.084 nan 8.190 nan 0.000 0.424 171 L N 4.533 125.719 121.223 -0.062 0.000 2.343 171 L HA 0.780 5.120 4.340 -0.000 0.000 0.278 171 L C -0.214 176.565 176.870 -0.153 0.000 0.996 171 L CA 0.323 55.082 54.840 -0.135 0.000 0.831 171 L CB 1.947 43.946 42.059 -0.101 0.000 1.232 171 L HN 0.767 nan 8.230 nan 0.000 0.413 172 T N 4.713 119.109 114.554 -0.262 0.000 2.824 172 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 172 T C -1.022 173.396 174.700 -0.471 0.000 0.993 172 T CA -0.217 61.750 62.100 -0.222 0.000 0.967 172 T CB 0.290 69.118 68.868 -0.067 0.000 0.960 172 T HN 0.237 nan 8.240 nan 0.000 0.441 173 F N 4.207 123.897 119.950 -0.432 0.000 2.420 173 F HA 0.481 5.008 4.527 0.000 0.000 0.342 173 F C 1.023 176.437 175.800 -0.644 0.000 1.113 173 F CA -0.653 57.120 58.000 -0.379 0.000 1.059 173 F CB 1.225 40.086 39.000 -0.231 0.000 1.128 173 F HN 0.595 nan 8.300 nan 0.000 0.475 174 H N 1.314 120.439 119.070 0.092 0.000 2.825 174 H HA 0.183 4.739 4.556 -0.000 0.000 0.226 174 H C -0.347 174.988 175.328 0.012 0.000 1.414 174 H CA -0.283 55.783 56.048 0.031 0.000 1.198 174 H CB 0.689 30.453 29.762 0.003 0.000 2.013 174 H HN 0.600 nan 8.280 nan 0.000 0.530 175 T N -1.328 113.276 114.554 0.083 0.000 2.942 175 T HA 0.606 4.956 4.350 -0.000 0.000 0.289 175 T C -2.550 172.098 174.700 -0.087 0.000 1.044 175 T CA -2.080 60.026 62.100 0.009 0.000 1.023 175 T CB 2.765 71.654 68.868 0.035 0.000 1.123 175 T HN -0.063 nan 8.240 nan 0.000 0.512 176 P HA 0.397 nan 4.420 nan 0.000 0.279 176 P C -0.969 176.090 177.300 -0.403 0.000 1.282 176 P CA -0.905 61.986 63.100 -0.349 0.000 0.788 176 P CB 0.278 31.620 31.700 -0.596 0.000 1.139 177 L N 1.246 122.267 121.223 -0.337 0.000 2.261 177 L HA 0.329 4.669 4.340 -0.000 0.000 0.289 177 L C -1.290 175.434 176.870 -0.242 0.000 1.059 177 L CA -0.268 54.431 54.840 -0.234 0.000 0.816 177 L CB -0.972 41.020 42.059 -0.111 0.000 1.191 177 L HN 0.120 nan 8.230 nan 0.000 0.431 178 Y N 4.138 124.446 120.300 0.013 0.000 2.328 178 Y HA 0.386 4.936 4.550 -0.000 0.000 0.336 178 Y C 0.967 176.862 175.900 -0.008 0.000 0.960 178 Y CA -1.048 57.059 58.100 0.013 0.000 1.134 178 Y CB 1.566 40.054 38.460 0.047 0.000 1.166 178 Y HN 0.547 nan 8.280 nan 0.000 0.464 179 K N 1.217 121.700 120.400 0.138 0.000 2.459 179 K HA 0.040 4.360 4.320 -0.000 0.000 0.193 179 K C -0.677 175.942 176.600 0.031 0.000 1.030 179 K CA 0.783 57.096 56.287 0.043 0.000 1.026 179 K CB 0.062 32.569 32.500 0.012 0.000 0.809 179 K HN 0.770 nan 8.250 nan 0.000 0.504 180 D N -1.942 118.490 120.400 0.052 0.000 2.692 180 D HA 0.464 5.104 4.640 -0.000 0.000 0.290 180 D C 0.206 176.485 176.300 -0.034 0.000 1.281 180 D CA -0.163 53.839 54.000 0.003 0.000 0.804 180 D CB 0.452 41.241 40.800 -0.018 0.000 1.331 180 D HN 0.014 nan 8.370 nan 0.000 0.432 181 G N -0.179 108.583 108.800 -0.064 0.000 2.632 181 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.224 181 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.224 181 G C -1.617 173.190 174.900 -0.156 0.000 1.341 181 G CA -0.125 44.899 45.100 -0.125 0.000 0.880 181 G HN 0.708 nan 8.290 nan 0.000 0.566 182 P HA -0.046 nan 4.420 nan 0.000 0.218 182 P C 0.684 177.784 177.300 -0.334 0.000 1.149 182 P CA 1.933 64.787 63.100 -0.410 0.000 0.817 182 P CB -0.073 31.191 31.700 -0.727 0.000 0.785 183 Y N -0.432 119.854 120.300 -0.024 0.000 2.658 183 Y HA 0.326 4.876 4.550 -0.000 0.000 0.276 183 Y C 1.031 177.021 175.900 0.150 0.000 1.167 183 Y CA -1.734 56.398 58.100 0.054 0.000 1.230 183 Y CB -0.859 37.632 38.460 0.052 0.000 1.144 183 Y HN -0.121 nan 8.280 nan 0.000 0.529 184 K N 1.654 122.161 120.400 0.179 0.000 2.477 184 K HA -0.095 4.225 4.320 -0.000 0.000 0.275 184 K C 0.995 177.701 176.600 0.175 0.000 1.054 184 K CA 1.272 57.658 56.287 0.165 0.000 1.135 184 K CB 0.462 33.006 32.500 0.074 0.000 0.854 184 K HN 0.443 nan 8.250 nan 0.000 0.484 185 T N 1.727 116.378 114.554 0.162 0.000 3.040 185 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 185 T C 0.401 175.113 174.700 0.021 0.000 1.005 185 T CA -0.553 61.602 62.100 0.092 0.000 0.906 185 T CB 0.136 69.041 68.868 0.061 0.000 1.082 185 T HN 0.414 nan 8.240 nan 0.000 0.531 186 L N 3.991 125.215 121.223 0.001 0.000 2.534 186 L HA 0.212 4.552 4.340 -0.000 0.000 0.271 186 L C 0.420 177.271 176.870 -0.032 0.000 1.178 186 L CA 0.661 55.450 54.840 -0.085 0.000 0.907 186 L CB -1.256 40.712 42.059 -0.152 0.000 1.164 186 L HN 0.588 nan 8.230 nan 0.000 0.482 187 H N 2.645 121.674 119.070 -0.068 0.000 2.741 187 H HA -0.255 4.301 4.556 -0.000 0.000 0.305 187 H C 1.219 176.505 175.328 -0.070 0.000 1.169 187 H CA 0.290 56.289 56.048 -0.081 0.000 1.144 187 H CB -0.727 29.004 29.762 -0.051 0.000 1.397 187 H HN 0.639 nan 8.280 nan 0.000 0.409 188 L N 0.737 121.981 121.223 0.035 0.000 1.990 188 L HA -0.070 4.270 4.340 -0.000 0.000 0.213 188 L C 1.760 178.634 176.870 0.006 0.000 1.072 188 L CA 2.422 57.289 54.840 0.045 0.000 0.755 188 L CB -0.450 41.657 42.059 0.080 0.000 0.889 188 L HN 0.434 nan 8.230 nan 0.000 0.432 189 A N 0.532 123.252 122.820 -0.167 0.000 2.915 189 A HA 0.326 4.646 4.320 -0.000 0.000 0.292 189 A C -0.387 177.116 177.584 -0.134 0.000 1.632 189 A CA -0.338 51.596 52.037 -0.172 0.000 1.337 189 A CB -1.209 17.536 19.000 -0.424 0.000 1.111 189 A HN 0.557 nan 8.150 nan 0.000 0.569 190 D N 0.186 120.548 120.400 -0.064 0.000 2.564 190 D HA 0.107 4.747 4.640 -0.000 0.000 0.273 190 D C 0.967 177.223 176.300 -0.072 0.000 1.192 190 D CA -0.588 53.358 54.000 -0.090 0.000 1.080 190 D CB 0.152 40.935 40.800 -0.028 0.000 1.160 190 D HN 0.374 nan 8.370 nan 0.000 0.607 191 E N -0.692 119.464 120.200 -0.073 0.000 2.070 191 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 191 E C 1.585 178.171 176.600 -0.022 0.000 1.004 191 E CA 2.091 58.462 56.400 -0.048 0.000 0.805 191 E CB -0.150 29.526 29.700 -0.041 0.000 0.744 191 E HN 0.524 nan 8.360 nan 0.000 0.451 192 T N 1.562 116.110 114.554 -0.011 0.000 2.665 192 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 192 T C 1.871 176.577 174.700 0.010 0.000 1.035 192 T CA 1.479 63.580 62.100 0.003 0.000 1.151 192 T CB -0.307 68.567 68.868 0.011 0.000 0.862 192 T HN 0.248 nan 8.240 nan 0.000 0.438 193 L N 0.102 121.334 121.223 0.015 0.000 2.072 193 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 193 L C 2.277 179.163 176.870 0.028 0.000 1.079 193 L CA 1.236 56.096 54.840 0.034 0.000 0.752 193 L CB -0.283 41.814 42.059 0.063 0.000 0.906 193 L HN 0.223 nan 8.230 nan 0.000 0.436 194 I N -0.062 120.512 120.570 0.008 0.000 2.208 194 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 194 I C 2.674 178.793 176.117 0.002 0.000 1.097 194 I CA 1.347 62.648 61.300 0.002 0.000 1.363 194 I CB -0.311 37.675 38.000 -0.024 0.000 1.051 194 I HN 0.205 nan 8.210 nan 0.000 0.413 195 R N 0.336 120.835 120.500 -0.002 0.000 2.159 195 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 195 R C 2.187 178.489 176.300 0.003 0.000 1.131 195 R CA 1.161 57.260 56.100 -0.001 0.000 0.982 195 R CB -0.236 30.063 30.300 -0.002 0.000 0.868 195 R HN 0.378 nan 8.270 nan 0.000 0.453 196 R N 0.207 120.712 120.500 0.008 0.000 2.275 196 R HA 0.108 4.448 4.340 -0.000 0.000 0.199 196 R C 0.227 176.531 176.300 0.006 0.000 0.989 196 R CA 0.043 56.148 56.100 0.008 0.000 1.016 196 R CB 0.050 30.359 30.300 0.014 0.000 0.918 196 R HN 0.093 nan 8.270 nan 0.000 0.473 197 L N 2.272 123.500 121.223 0.008 0.000 2.490 197 L HA 0.033 4.373 4.340 -0.000 0.000 0.274 197 L C 0.431 177.297 176.870 -0.007 0.000 1.201 197 L CA 0.130 54.972 54.840 0.003 0.000 0.869 197 L CB 0.242 42.307 42.059 0.009 0.000 1.123 197 L HN -0.010 nan 8.230 nan 0.000 0.484 198 K N 3.422 123.812 120.400 -0.016 0.000 2.518 198 K HA 0.047 4.367 4.320 -0.000 0.000 0.276 198 K C -2.184 174.400 176.600 -0.026 0.000 0.974 198 K CA -1.302 54.971 56.287 -0.023 0.000 0.986 198 K CB -0.122 32.356 32.500 -0.036 0.000 0.901 198 K HN 0.301 nan 8.250 nan 0.000 0.497 199 P HA -0.066 nan 4.420 nan 0.000 0.264 199 P C 0.405 177.683 177.300 -0.037 0.000 1.193 199 P CA 0.811 63.898 63.100 -0.022 0.000 0.763 199 P CB 0.504 32.194 31.700 -0.017 0.000 0.810 200 G N 1.795 110.575 108.800 -0.034 0.000 2.162 200 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 200 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 200 G C 0.475 175.325 174.900 -0.082 0.000 0.976 200 G CA -0.013 45.055 45.100 -0.053 0.000 0.655 200 G HN 0.846 nan 8.290 nan 0.000 0.533 201 A N -0.478 122.307 122.820 -0.059 0.000 2.425 201 A HA 0.669 4.989 4.320 -0.000 0.000 0.242 201 A C 0.442 178.003 177.584 -0.039 0.000 1.077 201 A CA 0.272 52.273 52.037 -0.060 0.000 0.781 201 A CB 0.351 19.330 19.000 -0.036 0.000 1.020 201 A HN 0.844 nan 8.150 nan 0.000 0.494 202 I N 1.762 122.309 120.570 -0.039 0.000 2.355 202 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 202 I C -0.608 175.515 176.117 0.011 0.000 0.999 202 I CA -0.501 60.797 61.300 -0.003 0.000 1.163 202 I CB 1.475 39.481 38.000 0.010 0.000 1.316 202 I HN 0.539 nan 8.210 nan 0.000 0.454 203 L N 8.959 130.198 121.223 0.027 0.000 2.264 203 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 203 L C -0.666 176.232 176.870 0.046 0.000 1.044 203 L CA 0.089 54.961 54.840 0.054 0.000 0.807 203 L CB 0.609 42.695 42.059 0.046 0.000 1.192 203 L HN 0.384 nan 8.230 nan 0.000 0.425 204 I N 4.826 125.440 120.570 0.074 0.000 2.436 204 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 204 I C -0.653 175.491 176.117 0.044 0.000 1.010 204 I CA -0.641 60.688 61.300 0.050 0.000 1.098 204 I CB 1.759 39.791 38.000 0.053 0.000 1.266 204 I HN 0.572 nan 8.210 nan 0.000 0.434 205 N N 5.253 123.920 118.700 -0.055 0.000 2.573 205 N HA 0.527 5.267 4.740 -0.000 0.000 0.262 205 N C -0.469 174.930 175.510 -0.186 0.000 1.029 205 N CA -0.365 52.604 53.050 -0.135 0.000 0.882 205 N CB 1.800 40.138 38.487 -0.249 0.000 1.204 205 N HN 0.715 nan 8.380 nan 0.000 0.519 206 A N 2.299 125.022 122.820 -0.162 0.000 2.637 206 A HA 0.234 4.554 4.320 -0.000 0.000 0.293 206 A C 1.358 178.850 177.584 -0.154 0.000 1.216 206 A CA -0.192 51.730 52.037 -0.193 0.000 0.956 206 A CB -0.888 18.013 19.000 -0.164 0.000 1.174 206 A HN 0.801 nan 8.150 nan 0.000 0.525 207 C N -1.137 118.072 119.300 -0.152 0.000 4.154 207 C HA 0.615 5.075 4.460 -0.000 0.000 0.218 207 C C 0.554 175.453 174.990 -0.151 0.000 2.068 207 C CA -0.317 58.645 59.018 -0.092 0.000 1.321 207 C CB -0.341 27.380 27.740 -0.033 0.000 1.644 207 C HN 0.349 nan 8.230 nan 0.000 0.686 208 R N 1.131 121.541 120.500 -0.150 0.000 2.740 208 R HA 0.425 4.765 4.340 -0.000 0.000 0.282 208 R C 1.181 177.381 176.300 -0.167 0.000 0.969 208 R CA 0.108 56.121 56.100 -0.146 0.000 0.918 208 R CB 0.861 31.106 30.300 -0.092 0.000 1.175 208 R HN 0.723 nan 8.270 nan 0.000 0.464 209 G N 2.862 111.576 108.800 -0.143 0.000 2.631 209 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 209 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 209 G C -1.169 173.677 174.900 -0.089 0.000 1.214 209 G CA 0.902 45.935 45.100 -0.113 0.000 0.785 209 G HN 0.417 nan 8.290 nan 0.000 0.596 210 P HA 0.185 nan 4.420 nan 0.000 0.249 210 P C 1.511 178.818 177.300 0.011 0.000 1.241 210 P CA -0.117 62.992 63.100 0.015 0.000 0.781 210 P CB 0.365 32.051 31.700 -0.022 0.000 1.088 211 V N -1.000 118.857 119.914 -0.096 0.000 2.515 211 V HA -0.091 4.029 4.120 -0.000 0.000 0.250 211 V C 1.203 177.145 176.094 -0.253 0.000 1.058 211 V CA 1.266 63.468 62.300 -0.162 0.000 1.064 211 V CB -0.212 31.477 31.823 -0.223 0.000 0.675 211 V HN -0.046 nan 8.190 nan 0.000 0.461 212 V N 1.093 120.853 119.914 -0.257 0.000 2.370 212 V HA 0.274 4.393 4.120 -0.000 0.000 0.283 212 V C -0.177 175.806 176.094 -0.185 0.000 1.023 212 V CA -0.820 61.307 62.300 -0.287 0.000 0.857 212 V CB 1.550 33.174 31.823 -0.332 0.000 0.985 212 V HN 0.316 nan 8.190 nan 0.000 0.443 213 D N 4.511 124.725 120.400 -0.309 0.000 2.346 213 D HA 0.002 4.642 4.640 -0.000 0.000 0.267 213 D C 1.066 177.204 176.300 -0.271 0.000 1.320 213 D CA 0.307 53.972 54.000 -0.558 0.000 0.951 213 D CB 0.539 40.885 40.800 -0.757 0.000 1.079 213 D HN 0.470 nan 8.370 nan 0.000 0.509 214 N N 3.027 121.633 118.700 -0.157 0.000 2.120 214 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 214 N C 1.655 177.133 175.510 -0.053 0.000 1.024 214 N CA 1.533 54.542 53.050 -0.067 0.000 0.852 214 N CB -0.283 38.215 38.487 0.018 0.000 1.003 214 N HN 0.537 nan 8.380 nan 0.000 0.424 215 A N 0.617 123.397 122.820 -0.067 0.000 1.908 215 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 215 A C 2.277 179.825 177.584 -0.059 0.000 1.181 215 A CA 2.003 54.012 52.037 -0.047 0.000 0.627 215 A CB -0.905 18.070 19.000 -0.043 0.000 0.818 215 A HN 0.325 nan 8.150 nan 0.000 0.445 216 A N -0.899 121.860 122.820 -0.102 0.000 1.968 216 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 216 A C 2.074 179.618 177.584 -0.068 0.000 1.169 216 A CA 1.524 53.507 52.037 -0.089 0.000 0.638 216 A CB -0.501 18.423 19.000 -0.126 0.000 0.812 216 A HN 0.571 nan 8.150 nan 0.000 0.446 217 L N -0.507 120.670 121.223 -0.076 0.000 1.994 217 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 217 L C 2.246 179.102 176.870 -0.023 0.000 1.071 217 L CA 2.089 56.898 54.840 -0.053 0.000 0.745 217 L CB -0.845 41.175 42.059 -0.065 0.000 0.892 217 L HN 0.347 nan 8.230 nan 0.000 0.431 218 L N 0.048 121.265 121.223 -0.010 0.000 2.013 218 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 218 L C 2.496 179.366 176.870 0.001 0.000 1.073 218 L CA 2.312 57.156 54.840 0.008 0.000 0.753 218 L CB -1.223 40.846 42.059 0.017 0.000 0.890 218 L HN 0.326 nan 8.230 nan 0.000 0.432 219 A N -0.876 121.938 122.820 -0.010 0.000 1.902 219 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 219 A C 2.282 179.861 177.584 -0.008 0.000 1.181 219 A CA 1.462 53.494 52.037 -0.009 0.000 0.623 219 A CB -0.487 18.504 19.000 -0.015 0.000 0.818 219 A HN 0.424 nan 8.150 nan 0.000 0.443 220 R N -0.187 120.305 120.500 -0.013 0.000 2.081 220 R HA -0.015 4.324 4.340 -0.000 0.000 0.235 220 R C 2.033 178.332 176.300 -0.002 0.000 1.131 220 R CA 1.242 57.337 56.100 -0.009 0.000 0.960 220 R CB -1.187 29.105 30.300 -0.015 0.000 0.856 220 R HN 0.613 nan 8.270 nan 0.000 0.436 221 L N 0.783 122.007 121.223 0.001 0.000 2.056 221 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 221 L C 1.896 178.773 176.870 0.011 0.000 1.078 221 L CA 1.004 55.850 54.840 0.009 0.000 0.749 221 L CB -0.521 41.548 42.059 0.017 0.000 0.901 221 L HN 0.105 nan 8.230 nan 0.000 0.433 222 N N 0.568 119.274 118.700 0.010 0.000 2.205 222 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 222 N C 1.647 177.162 175.510 0.007 0.000 1.015 222 N CA 1.452 54.508 53.050 0.010 0.000 0.862 222 N CB -0.207 38.285 38.487 0.008 0.000 0.986 222 N HN 0.308 nan 8.380 nan 0.000 0.429 223 A N -0.335 122.488 122.820 0.005 0.000 2.238 223 A HA 0.385 4.705 4.320 -0.000 0.000 0.208 223 A C 1.375 178.962 177.584 0.005 0.000 1.177 223 A CA 0.760 52.799 52.037 0.003 0.000 0.804 223 A CB -0.428 18.573 19.000 0.001 0.000 0.823 223 A HN 0.314 nan 8.150 nan 0.000 0.482 224 G N -0.875 107.929 108.800 0.007 0.000 2.137 224 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 224 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 224 G C 0.080 174.984 174.900 0.006 0.000 1.002 224 G CA 0.299 45.404 45.100 0.008 0.000 0.702 224 G HN 0.836 nan 8.290 nan 0.000 0.515 225 Q N 0.989 120.792 119.800 0.005 0.000 2.289 225 Q HA 0.395 4.735 4.340 -0.000 0.000 0.273 225 Q C -1.897 174.106 176.000 0.005 0.000 1.029 225 Q CA -1.341 54.464 55.803 0.003 0.000 0.896 225 Q CB 0.713 29.451 28.738 0.000 0.000 1.182 225 Q HN 0.261 nan 8.270 nan 0.000 0.385 226 P HA 0.153 nan 4.420 nan 0.000 0.279 226 P C -1.400 175.900 177.300 0.001 0.000 1.318 226 P CA -0.125 62.978 63.100 0.005 0.000 0.819 226 P CB 0.350 32.051 31.700 0.002 0.000 0.927 227 L N 2.425 123.652 121.223 0.007 0.000 2.592 227 L HA 0.404 4.744 4.340 -0.000 0.000 0.258 227 L C -1.106 175.774 176.870 0.017 0.000 0.926 227 L CA -0.120 54.723 54.840 0.006 0.000 0.885 227 L CB 2.169 44.231 42.059 0.004 0.000 1.380 227 L HN 0.083 nan 8.230 nan 0.000 0.415 228 S N 2.537 118.249 115.700 0.021 0.000 2.549 228 S HA 0.919 5.389 4.470 -0.000 0.000 0.297 228 S C -0.998 173.620 174.600 0.030 0.000 1.115 228 S CA -0.581 57.641 58.200 0.036 0.000 1.059 228 S CB 1.890 65.125 63.200 0.058 0.000 1.046 228 S HN 0.462 nan 8.310 nan 0.000 0.506 229 V N 2.724 122.658 119.914 0.033 0.000 2.638 229 V HA 0.492 4.612 4.120 -0.000 0.000 0.306 229 V C -0.847 175.261 176.094 0.022 0.000 1.052 229 V CA -0.701 61.609 62.300 0.017 0.000 0.885 229 V CB 1.933 33.756 31.823 0.001 0.000 0.999 229 V HN 0.659 nan 8.190 nan 0.000 0.424 230 V N 6.231 126.154 119.914 0.016 0.000 2.409 230 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 230 V C -0.436 175.647 176.094 -0.018 0.000 1.020 230 V CA -0.391 61.931 62.300 0.036 0.000 0.848 230 V CB 1.554 33.419 31.823 0.071 0.000 0.990 230 V HN 0.654 nan 8.190 nan 0.000 0.430 231 L N 3.628 124.799 121.223 -0.086 0.000 2.385 231 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 231 L C 0.291 177.012 176.870 -0.248 0.000 0.990 231 L CA -0.375 54.253 54.840 -0.353 0.000 0.821 231 L CB 2.283 43.812 42.059 -0.883 0.000 1.279 231 L HN 0.581 nan 8.230 nan 0.000 0.412 232 D N 1.012 121.244 120.400 -0.281 0.000 2.479 232 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 232 D C -0.212 175.916 176.300 -0.286 0.000 1.104 232 D CA 0.259 54.164 54.000 -0.157 0.000 0.849 232 D CB 1.008 41.608 40.800 -0.334 0.000 1.072 232 D HN 0.214 nan 8.370 nan 0.000 0.502 233 V N -2.112 117.446 119.914 -0.593 0.000 2.823 233 V HA 0.849 4.969 4.120 -0.000 0.000 0.312 233 V C -1.396 174.290 176.094 -0.681 0.000 1.072 233 V CA -0.890 61.112 62.300 -0.497 0.000 0.937 233 V CB 1.438 32.967 31.823 -0.490 0.000 1.013 233 V HN 0.017 nan 8.190 nan 0.000 0.430 234 W N -0.044 121.205 121.300 -0.085 0.000 3.032 234 W HA 0.649 5.309 4.660 0.000 0.000 0.335 234 W C -0.118 176.349 176.519 -0.087 0.000 1.154 234 W CA -0.527 56.772 57.345 -0.076 0.000 1.204 234 W CB 1.376 30.785 29.460 -0.085 0.000 1.416 234 W HN 0.659 nan 8.180 nan 0.000 0.521 235 E N 0.494 120.779 120.200 0.142 0.000 2.392 235 E HA 0.354 4.704 4.350 -0.000 0.000 0.264 235 E C 1.040 177.677 176.600 0.061 0.000 1.024 235 E CA 1.086 57.536 56.400 0.082 0.000 0.903 235 E CB 0.682 30.427 29.700 0.076 0.000 0.963 235 E HN 0.830 nan 8.360 nan 0.000 0.432 236 G N 2.799 111.610 108.800 0.019 0.000 2.166 236 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 236 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 236 G C 0.061 174.908 174.900 -0.088 0.000 0.986 236 G CA 0.457 45.543 45.100 -0.023 0.000 0.683 236 G HN 0.631 nan 8.290 nan 0.000 0.527 237 E N 0.642 120.780 120.200 -0.103 0.000 2.708 237 E HA 0.122 4.472 4.350 -0.000 0.000 0.260 237 E C -0.370 176.122 176.600 -0.180 0.000 0.937 237 E CA -0.149 56.095 56.400 -0.259 0.000 0.953 237 E CB 0.790 30.427 29.700 -0.104 0.000 0.915 237 E HN 0.323 nan 8.360 nan 0.000 0.487 238 P HA 0.013 nan 4.420 nan 0.000 0.245 238 P C -0.493 176.504 177.300 -0.504 0.000 1.206 238 P CA 0.367 63.126 63.100 -0.569 0.000 0.781 238 P CB 0.373 31.974 31.700 -0.164 0.000 0.994 239 D N 1.534 121.769 120.400 -0.275 0.000 2.885 239 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 239 D C 0.579 176.747 176.300 -0.219 0.000 1.129 239 D CA -0.091 53.788 54.000 -0.201 0.000 0.991 239 D CB -0.773 39.961 40.800 -0.109 0.000 1.137 239 D HN 0.196 nan 8.370 nan 0.000 0.459 240 L N -1.278 119.730 121.223 -0.358 0.000 2.483 240 L HA 0.171 4.511 4.340 -0.000 0.000 0.275 240 L C 0.538 177.286 176.870 -0.203 0.000 1.220 240 L CA -0.349 54.292 54.840 -0.333 0.000 0.833 240 L CB 0.308 41.923 42.059 -0.741 0.000 1.102 240 L HN -0.124 nan 8.230 nan 0.000 0.490 241 N N 1.816 120.472 118.700 -0.074 0.000 2.416 241 N HA 0.007 4.747 4.740 -0.000 0.000 0.271 241 N C 0.752 176.229 175.510 -0.055 0.000 1.245 241 N CA 0.167 53.205 53.050 -0.021 0.000 0.940 241 N CB 0.963 39.492 38.487 0.070 0.000 1.175 241 N HN 0.655 nan 8.380 nan 0.000 0.483 242 V N 4.225 124.096 119.914 -0.071 0.000 2.407 242 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 242 V C 2.350 178.437 176.094 -0.012 0.000 1.041 242 V CA 1.846 64.104 62.300 -0.070 0.000 1.040 242 V CB -0.962 30.823 31.823 -0.063 0.000 0.671 242 V HN 0.764 nan 8.190 nan 0.000 0.455 243 A N 0.253 123.075 122.820 0.004 0.000 1.927 243 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 243 A C 2.184 179.798 177.584 0.051 0.000 1.185 243 A CA 2.414 54.465 52.037 0.023 0.000 0.639 243 A CB -0.615 18.396 19.000 0.018 0.000 0.820 243 A HN 0.476 nan 8.150 nan 0.000 0.451 244 L N -0.954 120.316 121.223 0.079 0.000 2.109 244 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 244 L C 2.184 179.179 176.870 0.208 0.000 1.086 244 L CA 1.934 56.859 54.840 0.142 0.000 0.760 244 L CB -0.567 41.609 42.059 0.195 0.000 0.910 244 L HN 0.363 nan 8.230 nan 0.000 0.437 245 L N -0.125 121.207 121.223 0.183 0.000 2.046 245 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 245 L C 2.304 179.254 176.870 0.134 0.000 1.077 245 L CA 1.803 56.757 54.840 0.190 0.000 0.747 245 L CB -0.771 41.269 42.059 -0.030 0.000 0.896 245 L HN 0.407 nan 8.230 nan 0.000 0.432 246 E N -0.354 119.893 120.200 0.078 0.000 2.209 246 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 246 E C 1.934 178.576 176.600 0.070 0.000 0.993 246 E CA 1.039 57.476 56.400 0.061 0.000 0.819 246 E CB -0.249 29.474 29.700 0.038 0.000 0.745 246 E HN 0.687 nan 8.360 nan 0.000 0.477 247 A N 1.077 123.947 122.820 0.083 0.000 2.147 247 A HA 0.092 4.411 4.320 -0.000 0.000 0.211 247 A C 1.210 178.842 177.584 0.079 0.000 1.160 247 A CA -0.057 52.022 52.037 0.071 0.000 0.781 247 A CB 0.024 19.060 19.000 0.060 0.000 0.842 247 A HN 0.123 nan 8.150 nan 0.000 0.475 248 V N -2.297 117.684 119.914 0.112 0.000 3.036 248 V HA 0.394 4.513 4.120 -0.000 0.000 0.308 248 V C 0.394 176.545 176.094 0.096 0.000 1.070 248 V CA 0.022 62.384 62.300 0.104 0.000 1.056 248 V CB 0.934 32.835 31.823 0.131 0.000 1.084 248 V HN 0.307 nan 8.190 nan 0.000 0.471 249 D N 1.029 121.476 120.400 0.078 0.000 2.137 249 D HA 0.186 4.826 4.640 -0.000 0.000 0.202 249 D C 0.210 176.556 176.300 0.077 0.000 0.970 249 D CA 1.212 55.254 54.000 0.069 0.000 0.837 249 D CB 0.126 40.962 40.800 0.060 0.000 0.981 249 D HN 0.402 nan 8.370 nan 0.000 0.475 250 I N 0.524 121.148 120.570 0.089 0.000 2.512 250 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 250 I C -0.147 176.080 176.117 0.184 0.000 1.069 250 I CA -0.458 60.906 61.300 0.107 0.000 1.056 250 I CB 1.674 39.704 38.000 0.050 0.000 1.229 250 I HN -0.119 nan 8.210 nan 0.000 0.429 251 G N 4.150 113.119 108.800 0.282 0.000 2.590 251 G HA2 0.744 4.704 3.960 -0.000 0.000 0.310 251 G HA3 0.744 4.704 3.960 -0.000 0.000 0.310 251 G C -0.658 174.531 174.900 0.481 0.000 1.347 251 G CA -0.349 45.064 45.100 0.522 0.000 0.963 251 G HN 0.593 nan 8.290 nan 0.000 0.494 252 T N -1.747 113.143 114.554 0.560 0.000 2.865 252 T HA 0.612 4.962 4.350 -0.000 0.000 0.294 252 T C 0.499 175.463 174.700 0.440 0.000 1.119 252 T CA -0.447 61.899 62.100 0.410 0.000 1.007 252 T CB 1.695 70.816 68.868 0.422 0.000 1.225 252 T HN 0.925 nan 8.240 nan 0.000 0.515 253 S N 0.173 115.950 115.700 0.129 0.000 3.266 253 S HA 0.216 4.686 4.470 -0.000 0.000 0.209 253 S C 0.331 174.833 174.600 -0.163 0.000 1.409 253 S CA -0.333 57.735 58.200 -0.220 0.000 1.179 253 S CB -1.494 61.205 63.200 -0.835 0.000 1.218 253 S HN 1.184 nan 8.310 nan 0.000 0.514 254 H N 0.482 119.555 119.070 0.005 0.000 2.748 254 H HA -0.150 4.406 4.556 -0.000 0.000 0.322 254 H C -0.098 174.916 175.328 -0.523 0.000 1.208 254 H CA 0.677 56.645 56.048 -0.134 0.000 1.151 254 H CB -1.279 28.526 29.762 0.071 0.000 1.505 254 H HN 0.760 nan 8.280 nan 0.000 0.429 255 I N -2.529 117.791 120.570 -0.416 0.000 4.102 255 I HA 0.442 4.612 4.170 -0.000 0.000 0.325 255 I C 1.728 177.503 176.117 -0.570 0.000 1.471 255 I CA 0.414 61.193 61.300 -0.867 0.000 1.133 255 I CB 0.054 37.472 38.000 -0.970 0.000 1.184 255 I HN 0.245 nan 8.210 nan 0.000 0.451 256 A N 1.490 124.035 122.820 -0.459 0.000 2.019 256 A HA 0.175 4.495 4.320 -0.000 0.000 0.219 256 A C 2.182 179.629 177.584 -0.228 0.000 1.164 256 A CA 1.532 53.279 52.037 -0.484 0.000 0.644 256 A CB -1.133 17.343 19.000 -0.872 0.000 0.805 256 A HN 0.536 nan 8.150 nan 0.000 0.449 257 G N -2.693 106.009 108.800 -0.164 0.000 2.985 257 G HA2 0.185 4.145 3.960 -0.000 0.000 0.209 257 G HA3 0.185 4.145 3.960 -0.000 0.000 0.209 257 G C 0.110 175.095 174.900 0.141 0.000 1.165 257 G CA -0.120 44.979 45.100 -0.002 0.000 0.776 257 G HN 0.367 nan 8.290 nan 0.000 0.541 258 Y N 3.008 123.191 120.300 -0.195 0.000 2.570 258 Y HA 0.299 4.849 4.550 -0.000 0.000 0.336 258 Y C 1.082 176.959 175.900 -0.038 0.000 1.284 258 Y CA -1.197 56.804 58.100 -0.165 0.000 1.761 258 Y CB -0.896 37.321 38.460 -0.405 0.000 1.724 258 Y HN 0.045 nan 8.280 nan 0.000 0.455 259 T N -2.553 112.053 114.554 0.086 0.000 2.950 259 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 259 T C 1.334 176.061 174.700 0.045 0.000 1.035 259 T CA -0.886 61.248 62.100 0.057 0.000 1.028 259 T CB 1.503 70.369 68.868 -0.003 0.000 1.109 259 T HN 0.360 nan 8.240 nan 0.000 0.514 260 L N 0.309 121.564 121.223 0.053 0.000 1.989 260 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 260 L C 2.792 179.690 176.870 0.047 0.000 1.071 260 L CA 1.823 56.695 54.840 0.053 0.000 0.749 260 L CB -0.660 41.438 42.059 0.064 0.000 0.890 260 L HN 0.764 nan 8.230 nan 0.000 0.431 261 E N 0.059 120.275 120.200 0.027 0.000 2.118 261 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 261 E C 2.071 178.677 176.600 0.010 0.000 0.992 261 E CA 1.238 57.643 56.400 0.009 0.000 0.804 261 E CB -0.520 29.175 29.700 -0.007 0.000 0.741 261 E HN 0.529 nan 8.360 nan 0.000 0.458 262 G N 0.771 109.577 108.800 0.009 0.000 2.402 262 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 262 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 262 G C 1.354 176.263 174.900 0.014 0.000 1.162 262 G CA 0.829 45.934 45.100 0.009 0.000 0.777 262 G HN 0.196 nan 8.290 nan 0.000 0.539 263 K N 0.669 121.072 120.400 0.005 0.000 2.103 263 K HA 0.211 4.531 4.320 -0.000 0.000 0.204 263 K C 2.834 179.466 176.600 0.055 0.000 1.052 263 K CA 0.919 57.205 56.287 -0.002 0.000 0.945 263 K CB -0.166 32.304 32.500 -0.050 0.000 0.722 263 K HN 0.244 nan 8.250 nan 0.000 0.443 264 A N 1.339 124.214 122.820 0.092 0.000 1.930 264 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 264 A C 2.080 179.706 177.584 0.070 0.000 1.175 264 A CA 1.229 53.349 52.037 0.139 0.000 0.627 264 A CB -0.363 18.695 19.000 0.097 0.000 0.815 264 A HN 0.172 nan 8.150 nan 0.000 0.443 265 R N -0.545 119.978 120.500 0.038 0.000 2.148 265 R HA -0.091 4.249 4.340 -0.000 0.000 0.227 265 R C 2.212 178.544 176.300 0.052 0.000 1.103 265 R CA 1.082 57.200 56.100 0.030 0.000 0.983 265 R CB -0.530 29.780 30.300 0.017 0.000 0.874 265 R HN 0.510 nan 8.270 nan 0.000 0.451 266 G N -0.497 108.338 108.800 0.058 0.000 2.446 266 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 266 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 266 G C 1.277 176.241 174.900 0.107 0.000 1.168 266 G CA 1.417 46.559 45.100 0.070 0.000 0.771 266 G HN 0.329 nan 8.290 nan 0.000 0.551 267 T N 0.343 114.972 114.554 0.125 0.000 2.777 267 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 267 T C 2.530 177.326 174.700 0.160 0.000 1.040 267 T CA 1.665 63.873 62.100 0.180 0.000 1.141 267 T CB -0.493 68.485 68.868 0.184 0.000 0.868 267 T HN 0.257 nan 8.240 nan 0.000 0.444 268 T N 1.864 116.475 114.554 0.095 0.000 2.821 268 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 268 T C 2.162 176.952 174.700 0.150 0.000 1.046 268 T CA 1.115 63.267 62.100 0.086 0.000 1.139 268 T CB -0.179 68.702 68.868 0.021 0.000 0.871 268 T HN 0.459 nan 8.240 nan 0.000 0.454 269 Q N -0.151 119.718 119.800 0.116 0.000 2.137 269 Q HA 0.033 4.373 4.340 -0.000 0.000 0.198 269 Q C 2.488 178.564 176.000 0.127 0.000 0.960 269 Q CA 0.763 56.625 55.803 0.100 0.000 0.847 269 Q CB -0.096 28.683 28.738 0.068 0.000 0.915 269 Q HN 0.305 nan 8.270 nan 0.000 0.448 270 V N 0.794 120.812 119.914 0.172 0.000 2.407 270 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 270 V C 1.888 178.164 176.094 0.304 0.000 1.055 270 V CA 1.745 64.194 62.300 0.248 0.000 1.049 270 V CB -0.475 31.511 31.823 0.272 0.000 0.662 270 V HN 0.363 nan 8.190 nan 0.000 0.455 271 F N 1.175 121.162 119.950 0.060 0.000 2.259 271 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 271 F C 2.228 177.966 175.800 -0.104 0.000 1.088 271 F CA 1.759 59.610 58.000 -0.248 0.000 1.358 271 F CB -0.124 38.505 39.000 -0.618 0.000 1.040 271 F HN 0.224 nan 8.300 nan 0.000 0.505 272 E N 0.318 120.409 120.200 -0.182 0.000 2.158 272 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 272 E C 2.399 178.903 176.600 -0.161 0.000 0.982 272 E CA 0.712 56.957 56.400 -0.258 0.000 0.823 272 E CB -0.304 29.374 29.700 -0.036 0.000 0.766 272 E HN 0.487 nan 8.360 nan 0.000 0.468 273 A N 0.844 123.657 122.820 -0.011 0.000 1.902 273 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 273 A C 1.972 179.563 177.584 0.013 0.000 1.181 273 A CA 1.272 53.375 52.037 0.110 0.000 0.623 273 A CB -0.671 18.516 19.000 0.312 0.000 0.818 273 A HN 0.346 nan 8.150 nan 0.000 0.443 274 Y N 1.404 121.468 120.300 -0.394 0.000 2.373 274 Y HA -0.136 4.414 4.550 -0.000 0.000 0.293 274 Y C 2.895 178.567 175.900 -0.380 0.000 1.129 274 Y CA 1.432 59.115 58.100 -0.694 0.000 1.226 274 Y CB -0.122 37.886 38.460 -0.753 0.000 1.000 274 Y HN 0.461 nan 8.280 nan 0.000 0.549 275 S N -0.376 115.095 115.700 -0.382 0.000 2.387 275 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 275 S C 2.209 176.681 174.600 -0.214 0.000 1.026 275 S CA 0.760 58.732 58.200 -0.379 0.000 0.972 275 S CB -0.857 61.974 63.200 -0.614 0.000 0.814 275 S HN 0.406 nan 8.310 nan 0.000 0.477 276 A N 1.751 124.479 122.820 -0.152 0.000 1.841 276 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 276 A C 1.977 179.548 177.584 -0.023 0.000 1.195 276 A CA 1.271 53.268 52.037 -0.067 0.000 0.611 276 A CB -1.444 17.541 19.000 -0.026 0.000 0.835 276 A HN 0.593 nan 8.150 nan 0.000 0.443 277 F N 1.335 121.193 119.950 -0.152 0.000 2.135 277 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 277 F C 1.596 177.281 175.800 -0.192 0.000 1.074 277 F CA 2.146 60.068 58.000 -0.128 0.000 1.262 277 F CB -0.034 38.887 39.000 -0.131 0.000 1.013 277 F HN 0.357 nan 8.300 nan 0.000 0.489 278 I N -1.909 118.697 120.570 0.061 0.000 3.974 278 I HA 0.502 4.672 4.170 -0.000 0.000 0.334 278 I C 0.761 176.837 176.117 -0.068 0.000 1.437 278 I CA 0.241 61.533 61.300 -0.014 0.000 1.113 278 I CB -0.431 37.507 38.000 -0.105 0.000 1.063 278 I HN 0.253 nan 8.210 nan 0.000 0.400 282 Q N 1.404 121.135 119.800 -0.116 0.000 2.687 282 Q HA 0.660 5.000 4.340 -0.000 0.000 0.305 282 Q C -0.623 175.360 176.000 -0.028 0.000 1.006 282 Q CA -0.921 54.850 55.803 -0.053 0.000 0.763 282 Q CB 2.751 31.480 28.738 -0.015 0.000 1.506 282 Q HN 0.294 nan 8.270 nan 0.000 0.459 283 R N -0.349 120.189 120.500 0.063 0.000 2.710 283 R HA 0.727 5.067 4.340 -0.000 0.000 0.270 283 R C -1.694 174.682 176.300 0.128 0.000 1.021 283 R CA -0.646 55.508 56.100 0.090 0.000 0.889 283 R CB 2.356 32.679 30.300 0.039 0.000 1.243 283 R HN 0.317 nan 8.270 nan 0.000 0.464 284 V N 0.995 120.970 119.914 0.102 0.000 2.808 284 V HA 0.561 4.681 4.120 -0.000 0.000 0.308 284 V C -0.738 175.343 176.094 -0.021 0.000 1.099 284 V CA -0.918 61.394 62.300 0.019 0.000 0.920 284 V CB 1.940 33.728 31.823 -0.057 0.000 1.014 284 V HN 0.931 nan 8.190 nan 0.000 0.425 285 A N 3.370 126.164 122.820 -0.043 0.000 2.328 285 A HA 0.626 4.946 4.320 -0.000 0.000 0.284 285 A C 0.657 178.189 177.584 -0.087 0.000 1.160 285 A CA -0.241 51.767 52.037 -0.048 0.000 0.818 285 A CB 0.652 19.630 19.000 -0.036 0.000 1.087 285 A HN 0.818 nan 8.150 nan 0.000 0.504 286 L N 1.654 122.828 121.223 -0.082 0.000 2.093 286 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 286 L C 2.676 179.469 176.870 -0.128 0.000 1.085 286 L CA 2.284 57.052 54.840 -0.120 0.000 0.755 286 L CB -0.486 41.525 42.059 -0.080 0.000 0.904 286 L HN 0.893 nan 8.230 nan 0.000 0.435 287 E N -1.120 119.032 120.200 -0.081 0.000 2.409 287 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 287 E C 1.563 178.111 176.600 -0.087 0.000 1.024 287 E CA 1.449 57.808 56.400 -0.068 0.000 0.861 287 E CB -0.775 28.902 29.700 -0.038 0.000 0.788 287 E HN 0.601 nan 8.360 nan 0.000 0.521 288 T N -1.817 112.673 114.554 -0.107 0.000 3.113 288 T HA 0.152 4.502 4.350 -0.000 0.000 0.256 288 T C 1.866 176.470 174.700 -0.160 0.000 1.131 288 T CA 0.153 62.187 62.100 -0.110 0.000 1.074 288 T CB -0.048 68.761 68.868 -0.098 0.000 0.944 288 T HN 0.134 nan 8.240 nan 0.000 0.516 289 L N -0.604 120.471 121.223 -0.246 0.000 2.433 289 L HA 0.467 4.807 4.340 -0.000 0.000 0.200 289 L C 0.730 177.386 176.870 -0.357 0.000 1.059 289 L CA 0.032 54.611 54.840 -0.434 0.000 0.835 289 L CB 0.089 41.668 42.059 -0.800 0.000 1.076 289 L HN 0.193 nan 8.230 nan 0.000 0.481 290 L N 1.086 122.162 121.223 -0.246 0.000 2.399 290 L HA 0.292 4.632 4.340 -0.000 0.000 0.266 290 L C -1.892 174.973 176.870 -0.008 0.000 1.114 290 L CA -1.904 52.891 54.840 -0.075 0.000 0.804 290 L CB -0.071 41.961 42.059 -0.045 0.000 1.146 290 L HN -0.037 nan 8.230 nan 0.000 0.451 291 P HA 0.125 nan 4.420 nan 0.000 0.272 291 P C -0.764 176.545 177.300 0.015 0.000 1.230 291 P CA -0.502 62.615 63.100 0.029 0.000 0.788 291 P CB 0.682 32.406 31.700 0.040 0.000 0.949 292 A N 3.730 126.553 122.820 0.006 0.000 2.511 292 A HA 0.345 4.665 4.320 -0.000 0.000 0.242 292 A C -1.536 176.053 177.584 0.008 0.000 1.069 292 A CA -0.822 51.219 52.037 0.006 0.000 0.763 292 A CB -1.335 17.663 19.000 -0.003 0.000 1.001 292 A HN 0.493 nan 8.150 nan 0.000 0.498 293 P HA 0.137 nan 4.420 nan 0.000 0.272 293 P C 0.168 177.450 177.300 -0.030 0.000 1.230 293 P CA -0.145 62.973 63.100 0.030 0.000 0.788 293 P CB 0.642 32.395 31.700 0.089 0.000 0.949 294 E N 0.008 120.151 120.200 -0.095 0.000 2.085 294 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 294 E C -0.064 176.233 176.600 -0.505 0.000 0.994 294 E CA 1.314 57.519 56.400 -0.326 0.000 0.801 294 E CB -0.323 29.115 29.700 -0.436 0.000 0.743 294 E HN 0.406 nan 8.360 nan 0.000 0.453 295 F N -0.056 119.940 119.950 0.076 0.000 2.311 295 F HA 0.354 4.881 4.527 -0.000 0.000 0.371 295 F C 1.118 176.980 175.800 0.102 0.000 1.083 295 F CA -0.715 57.336 58.000 0.084 0.000 1.113 295 F CB 1.455 40.509 39.000 0.091 0.000 1.349 295 F HN -0.113 nan 8.300 nan 0.000 0.470 296 G N 2.602 111.535 108.800 0.222 0.000 2.459 296 G HA2 0.092 4.052 3.960 -0.000 0.000 0.213 296 G HA3 0.092 4.052 3.960 -0.000 0.000 0.213 296 G C 0.473 175.523 174.900 0.249 0.000 1.155 296 G CA 0.018 45.233 45.100 0.192 0.000 0.811 296 G HN 0.416 nan 8.290 nan 0.000 0.534 297 R N -1.047 119.603 120.500 0.250 0.000 2.651 297 R HA 0.750 5.090 4.340 -0.000 0.000 0.278 297 R C -1.655 174.747 176.300 0.170 0.000 1.010 297 R CA -0.602 55.667 56.100 0.282 0.000 0.896 297 R CB 2.496 32.990 30.300 0.322 0.000 1.211 297 R HN 0.130 nan 8.270 nan 0.000 0.456 298 I N 0.853 121.473 120.570 0.083 0.000 2.842 298 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 298 I C -1.075 175.004 176.117 -0.063 0.000 1.380 298 I CA -0.453 60.852 61.300 0.008 0.000 1.018 298 I CB 2.903 40.893 38.000 -0.016 0.000 1.311 298 I HN 0.849 nan 8.210 nan 0.000 0.439 299 T N 4.186 118.706 114.554 -0.056 0.000 2.902 299 T HA 0.659 5.009 4.350 -0.000 0.000 0.283 299 T C -0.865 173.794 174.700 -0.069 0.000 1.009 299 T CA -0.645 61.412 62.100 -0.071 0.000 1.051 299 T CB 1.793 70.632 68.868 -0.048 0.000 0.999 299 T HN 0.410 nan 8.240 nan 0.000 0.474 300 L N 2.581 123.762 121.223 -0.069 0.000 2.349 300 L HA 0.572 4.912 4.340 -0.000 0.000 0.278 300 L C -0.977 175.898 176.870 0.010 0.000 0.996 300 L CA -0.675 54.129 54.840 -0.061 0.000 0.825 300 L CB 1.480 43.460 42.059 -0.133 0.000 1.243 300 L HN 0.987 nan 8.230 nan 0.000 0.412 301 H N 4.855 123.882 119.070 -0.071 0.000 2.488 301 H HA 0.772 5.328 4.556 -0.000 0.000 0.322 301 H C 0.143 175.438 175.328 -0.055 0.000 1.078 301 H CA 0.509 56.527 56.048 -0.050 0.000 1.260 301 H CB 1.009 30.744 29.762 -0.044 0.000 1.425 301 H HN 1.068 nan 8.280 nan 0.000 0.471 302 G N 4.323 112.830 108.800 -0.487 0.000 2.661 302 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.685 302 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.685 302 G C -2.837 171.930 174.900 -0.222 0.000 1.298 302 G CA -0.717 44.134 45.100 -0.415 0.000 0.855 302 G HN 0.703 nan 8.290 nan 0.000 0.560 303 P HA 0.432 nan 4.420 nan 0.000 0.272 303 P C -0.088 177.128 177.300 -0.141 0.000 1.223 303 P CA -0.436 62.578 63.100 -0.143 0.000 0.784 303 P CB 1.156 32.784 31.700 -0.120 0.000 0.923 304 L N 3.258 124.399 121.223 -0.137 0.000 2.380 304 L HA 0.268 4.608 4.340 -0.000 0.000 0.273 304 L C 0.202 177.002 176.870 -0.117 0.000 1.138 304 L CA 0.822 55.574 54.840 -0.147 0.000 0.832 304 L CB -0.196 41.768 42.059 -0.158 0.000 1.124 304 L HN 0.477 nan 8.230 nan 0.000 0.454 305 D N 1.137 121.466 120.400 -0.118 0.000 2.732 305 D HA 0.178 4.818 4.640 -0.000 0.000 0.292 305 D C 0.316 176.558 176.300 -0.098 0.000 1.135 305 D CA -0.536 53.409 54.000 -0.091 0.000 1.071 305 D CB 0.600 41.352 40.800 -0.081 0.000 1.457 305 D HN 0.492 nan 8.370 nan 0.000 0.547 306 Q N -0.675 119.079 119.800 -0.077 0.000 2.061 306 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 306 Q C -0.951 174.981 176.000 -0.114 0.000 0.984 306 Q CA 2.058 57.813 55.803 -0.080 0.000 0.846 306 Q CB -0.975 27.725 28.738 -0.063 0.000 0.902 306 Q HN 0.365 nan 8.270 nan 0.000 0.421 307 P HA -0.087 nan 4.420 nan 0.000 0.217 307 P C 0.924 178.139 177.300 -0.142 0.000 1.150 307 P CA 1.543 64.570 63.100 -0.122 0.000 0.832 307 P CB -0.071 31.571 31.700 -0.097 0.000 0.787 308 T N -0.136 114.331 114.554 -0.145 0.000 2.812 308 T HA -0.094 4.256 4.350 -0.000 0.000 0.264 308 T C 1.646 176.208 174.700 -0.229 0.000 1.042 308 T CA 0.792 62.789 62.100 -0.172 0.000 1.140 308 T CB -0.840 67.927 68.868 -0.167 0.000 0.870 308 T HN 0.001 nan 8.240 nan 0.000 0.445 309 L N 1.679 122.764 121.223 -0.230 0.000 2.046 309 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 309 L C 2.295 178.996 176.870 -0.282 0.000 1.077 309 L CA 1.865 56.531 54.840 -0.289 0.000 0.747 309 L CB -0.567 41.358 42.059 -0.223 0.000 0.896 309 L HN 0.072 nan 8.230 nan 0.000 0.432 310 K N -0.530 119.724 120.400 -0.243 0.000 2.063 310 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 310 K C 2.275 178.696 176.600 -0.299 0.000 1.048 310 K CA 1.623 57.715 56.287 -0.325 0.000 0.928 310 K CB -0.118 32.194 32.500 -0.314 0.000 0.713 310 K HN 0.314 nan 8.250 nan 0.000 0.442 311 R N 0.400 120.774 120.500 -0.211 0.000 2.091 311 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 311 R C 2.448 178.662 176.300 -0.144 0.000 1.136 311 R CA 1.653 57.663 56.100 -0.149 0.000 0.959 311 R CB -0.349 29.866 30.300 -0.141 0.000 0.856 311 R HN 0.226 nan 8.270 nan 0.000 0.437 312 L N -0.257 120.831 121.223 -0.224 0.000 2.044 312 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 312 L C 2.677 179.486 176.870 -0.103 0.000 1.075 312 L CA 1.213 55.906 54.840 -0.245 0.000 0.747 312 L CB -0.532 41.184 42.059 -0.573 0.000 0.903 312 L HN 0.247 nan 8.230 nan 0.000 0.435 313 A N -0.900 121.817 122.820 -0.172 0.000 1.902 313 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 313 A C 2.034 179.805 177.584 0.311 0.000 1.181 313 A CA 1.661 53.662 52.037 -0.060 0.000 0.623 313 A CB -0.969 17.997 19.000 -0.058 0.000 0.818 313 A HN 0.519 nan 8.150 nan 0.000 0.443 314 H N -1.825 117.286 119.070 0.069 0.000 2.529 314 H HA 0.028 4.584 4.556 -0.000 0.000 0.277 314 H C 1.942 177.309 175.328 0.065 0.000 0.999 314 H CA 0.543 56.632 56.048 0.069 0.000 1.256 314 H CB 0.163 29.927 29.762 0.004 0.000 1.402 314 H HN 0.430 nan 8.280 nan 0.000 0.566 315 L N 0.748 122.062 121.223 0.151 0.000 2.046 315 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 315 L C 1.932 178.913 176.870 0.183 0.000 1.077 315 L CA 1.294 56.169 54.840 0.057 0.000 0.747 315 L CB -0.340 41.675 42.059 -0.072 0.000 0.896 315 L HN 0.010 nan 8.230 nan 0.000 0.432 316 V N -1.791 118.297 119.914 0.290 0.000 2.535 316 V HA -0.048 4.072 4.120 -0.000 0.000 0.246 316 V C 0.106 176.485 176.094 0.475 0.000 1.045 316 V CA 0.964 63.502 62.300 0.396 0.000 1.058 316 V CB -0.536 31.585 31.823 0.496 0.000 0.689 316 V HN 0.491 nan 8.190 nan 0.000 0.461 317 Y N 0.367 120.856 120.300 0.316 0.000 2.282 317 Y HA 0.466 5.016 4.550 -0.000 0.000 0.317 317 Y C -1.851 174.143 175.900 0.158 0.000 1.236 317 Y CA -1.742 56.502 58.100 0.239 0.000 1.134 317 Y CB 1.177 39.795 38.460 0.263 0.000 1.267 317 Y HN 0.100 nan 8.280 nan 0.000 0.410 318 D N 5.001 125.076 120.400 -0.543 0.000 2.381 318 D HA 0.176 4.816 4.640 -0.000 0.000 0.235 318 D C 0.583 176.307 176.300 -0.960 0.000 1.068 318 D CA -0.079 53.412 54.000 -0.848 0.000 0.832 318 D CB 2.267 42.702 40.800 -0.608 0.000 1.101 318 D HN 0.533 nan 8.370 nan 0.000 0.515 319 V N 5.568 124.915 119.914 -0.945 0.000 2.568 319 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 319 V C 2.070 177.976 176.094 -0.313 0.000 1.072 319 V CA 1.793 63.678 62.300 -0.691 0.000 1.084 319 V CB -0.285 31.246 31.823 -0.486 0.000 0.676 319 V HN 0.528 nan 8.190 nan 0.000 0.469 320 R N 0.118 120.442 120.500 -0.292 0.000 2.193 320 R HA -0.165 4.175 4.340 -0.000 0.000 0.229 320 R C 2.242 178.495 176.300 -0.080 0.000 1.110 320 R CA 1.484 57.501 56.100 -0.139 0.000 0.988 320 R CB -0.342 29.880 30.300 -0.129 0.000 0.871 320 R HN 0.720 nan 8.270 nan 0.000 0.458 321 R N 0.337 120.773 120.500 -0.108 0.000 2.237 321 R HA -0.057 4.283 4.340 -0.000 0.000 0.219 321 R C 0.599 176.941 176.300 0.071 0.000 1.080 321 R CA 1.699 57.792 56.100 -0.012 0.000 0.995 321 R CB 0.030 30.329 30.300 -0.001 0.000 0.875 321 R HN 0.068 nan 8.270 nan 0.000 0.462 322 D N 0.026 120.501 120.400 0.125 0.000 2.392 322 D HA -0.073 4.567 4.640 -0.000 0.000 0.206 322 D C 0.860 177.260 176.300 0.167 0.000 1.046 322 D CA 0.560 54.693 54.000 0.220 0.000 0.865 322 D CB -0.106 40.941 40.800 0.412 0.000 0.969 322 D HN 0.320 nan 8.370 nan 0.000 0.509 323 D N 1.220 121.693 120.400 0.122 0.000 2.137 323 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 323 D C 1.927 178.278 176.300 0.085 0.000 0.970 323 D CA 0.918 54.988 54.000 0.116 0.000 0.837 323 D CB 0.421 41.272 40.800 0.084 0.000 0.981 323 D HN 0.017 nan 8.370 nan 0.000 0.475 324 A N 1.589 124.443 122.820 0.057 0.000 1.865 324 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 324 A C -0.240 177.372 177.584 0.046 0.000 1.191 324 A CA 1.931 53.994 52.037 0.043 0.000 0.623 324 A CB -1.658 17.358 19.000 0.028 0.000 0.826 324 A HN 0.339 nan 8.150 nan 0.000 0.444 325 P HA -0.056 nan 4.420 nan 0.000 0.222 325 P C 1.539 178.864 177.300 0.042 0.000 1.153 325 P CA 0.569 63.695 63.100 0.044 0.000 0.798 325 P CB -0.130 31.598 31.700 0.047 0.000 0.796 326 L N 0.166 121.422 121.223 0.055 0.000 2.093 326 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 326 L C 2.295 179.182 176.870 0.029 0.000 1.085 326 L CA 1.764 56.629 54.840 0.041 0.000 0.755 326 L CB -0.904 41.194 42.059 0.066 0.000 0.904 326 L HN -0.228 nan 8.230 nan 0.000 0.435 327 R N -0.502 120.022 120.500 0.039 0.000 2.115 327 R HA -0.151 4.189 4.340 -0.000 0.000 0.230 327 R C 2.298 178.609 176.300 0.018 0.000 1.111 327 R CA 1.345 57.462 56.100 0.028 0.000 0.976 327 R CB -0.227 30.097 30.300 0.040 0.000 0.870 327 R HN 0.357 nan 8.270 nan 0.000 0.445 328 K N 0.740 121.153 120.400 0.022 0.000 2.148 328 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 328 K C 1.485 178.093 176.600 0.013 0.000 1.050 328 K CA 1.408 57.706 56.287 0.018 0.000 0.942 328 K CB 0.383 32.895 32.500 0.020 0.000 0.724 328 K HN 0.192 nan 8.250 nan 0.000 0.446 329 V N -4.003 115.920 119.914 0.015 0.000 3.346 329 V HA 0.417 4.537 4.120 -0.000 0.000 0.309 329 V C 1.451 177.552 176.094 0.011 0.000 1.457 329 V CA 0.314 62.623 62.300 0.015 0.000 1.069 329 V CB 0.278 32.114 31.823 0.022 0.000 0.944 329 V HN 0.140 nan 8.190 nan 0.000 0.449 330 A N 2.045 124.864 122.820 -0.003 0.000 1.927 330 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 330 A C 2.212 179.772 177.584 -0.039 0.000 1.185 330 A CA 2.410 54.430 52.037 -0.028 0.000 0.639 330 A CB -1.283 17.669 19.000 -0.080 0.000 0.820 330 A HN 0.928 nan 8.150 nan 0.000 0.451 331 G N -0.930 107.851 108.800 -0.033 0.000 2.679 331 G HA2 0.217 4.177 3.960 -0.000 0.000 0.212 331 G HA3 0.217 4.177 3.960 -0.000 0.000 0.212 331 G C 0.570 175.458 174.900 -0.020 0.000 1.137 331 G CA 0.228 45.307 45.100 -0.034 0.000 0.787 331 G HN 0.496 nan 8.290 nan 0.000 0.534 332 I N 1.821 122.387 120.570 -0.005 0.000 2.301 332 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 332 I C -2.258 173.866 176.117 0.011 0.000 1.046 332 I CA -2.163 59.139 61.300 0.004 0.000 1.282 332 I CB 1.466 39.472 38.000 0.010 0.000 1.409 332 I HN -0.176 nan 8.210 nan 0.000 0.484 333 P HA 0.023 nan 4.420 nan 0.000 0.260 333 P C 0.931 178.245 177.300 0.023 0.000 1.185 333 P CA 0.824 63.928 63.100 0.008 0.000 0.763 333 P CB 0.547 32.248 31.700 0.001 0.000 0.776 334 G N 3.207 112.031 108.800 0.040 0.000 2.307 334 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.210 334 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.210 334 G C 1.132 176.079 174.900 0.079 0.000 1.005 334 G CA -0.267 44.865 45.100 0.053 0.000 0.634 334 G HN 0.463 nan 8.290 nan 0.000 0.496 335 E N 0.008 120.256 120.200 0.079 0.000 2.107 335 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 335 E C 1.973 178.638 176.600 0.109 0.000 0.982 335 E CA 0.849 57.295 56.400 0.077 0.000 0.809 335 E CB -0.174 29.559 29.700 0.055 0.000 0.756 335 E HN 0.567 nan 8.360 nan 0.000 0.459 336 F N 2.874 122.814 119.950 -0.016 0.000 2.043 336 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 336 F C 1.863 177.674 175.800 0.019 0.000 1.121 336 F CA 1.938 59.929 58.000 -0.015 0.000 1.199 336 F CB 0.003 38.976 39.000 -0.044 0.000 0.968 336 F HN -0.075 nan 8.300 nan 0.000 0.478 337 D N -0.068 120.478 120.400 0.244 0.000 2.144 337 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 337 D C 2.194 178.531 176.300 0.062 0.000 0.978 337 D CA 1.119 55.206 54.000 0.146 0.000 0.833 337 D CB -0.346 40.547 40.800 0.155 0.000 0.961 337 D HN 0.310 nan 8.370 nan 0.000 0.470 338 K N 0.425 120.860 120.400 0.059 0.000 2.057 338 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 338 K C 2.267 178.889 176.600 0.036 0.000 1.049 338 K CA 0.475 56.789 56.287 0.044 0.000 0.931 338 K CB -0.091 32.434 32.500 0.041 0.000 0.714 338 K HN 0.067 nan 8.250 nan 0.000 0.440 339 L N 0.394 121.620 121.223 0.005 0.000 2.079 339 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 339 L C 2.437 179.342 176.870 0.057 0.000 1.081 339 L CA 1.445 56.288 54.840 0.005 0.000 0.752 339 L CB -0.290 41.721 42.059 -0.081 0.000 0.896 339 L HN 0.245 nan 8.230 nan 0.000 0.433 340 R N -0.332 120.165 120.500 -0.005 0.000 2.075 340 R HA -0.147 4.192 4.340 -0.000 0.000 0.226 340 R C 2.264 178.688 176.300 0.206 0.000 1.114 340 R CA 0.929 57.077 56.100 0.080 0.000 0.972 340 R CB -0.164 30.129 30.300 -0.010 0.000 0.869 340 R HN 0.221 nan 8.270 nan 0.000 0.437 341 K N 0.548 121.019 120.400 0.119 0.000 2.148 341 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 341 K C 0.984 177.641 176.600 0.095 0.000 1.050 341 K CA 1.134 57.476 56.287 0.092 0.000 0.942 341 K CB 0.203 32.737 32.500 0.056 0.000 0.724 341 K HN 0.055 nan 8.250 nan 0.000 0.446 342 N N -0.162 118.601 118.700 0.106 0.000 2.270 342 N HA -0.059 4.681 4.740 -0.000 0.000 0.198 342 N C -0.738 174.838 175.510 0.111 0.000 1.117 342 N CA -0.077 53.022 53.050 0.081 0.000 0.845 342 N CB 0.072 38.589 38.487 0.051 0.000 0.980 342 N HN 0.144 nan 8.380 nan 0.000 0.486 343 Y N 2.019 122.358 120.300 0.064 0.000 2.865 343 Y HA -0.096 4.454 4.550 -0.000 0.000 0.338 343 Y C 0.488 176.432 175.900 0.074 0.000 1.269 343 Y CA 0.131 58.289 58.100 0.097 0.000 1.585 343 Y CB 0.022 38.607 38.460 0.208 0.000 1.224 343 Y HN -0.012 nan 8.280 nan 0.000 0.554 344 L N 4.509 125.478 121.223 -0.423 0.000 2.464 344 L HA 0.108 4.448 4.340 -0.000 0.000 0.264 344 L C 0.414 177.098 176.870 -0.310 0.000 1.199 344 L CA -0.297 54.370 54.840 -0.288 0.000 0.818 344 L CB 0.337 42.267 42.059 -0.215 0.000 1.102 344 L HN 0.638 nan 8.230 nan 0.000 0.473 345 E N 2.849 122.988 120.200 -0.101 0.000 2.417 345 E HA 0.076 4.426 4.350 -0.000 0.000 0.261 345 E C -0.450 176.159 176.600 0.015 0.000 1.000 345 E CA -0.444 55.951 56.400 -0.009 0.000 0.919 345 E CB 0.795 30.500 29.700 0.009 0.000 0.955 345 E HN 0.599 nan 8.360 nan 0.000 0.455 346 R N 2.949 123.499 120.500 0.083 0.000 2.599 346 R HA 0.519 4.859 4.340 -0.000 0.000 0.295 346 R C -0.358 175.987 176.300 0.075 0.000 0.963 346 R CA -0.940 55.215 56.100 0.091 0.000 0.883 346 R CB 1.195 31.530 30.300 0.059 0.000 1.171 346 R HN 0.507 nan 8.270 nan 0.000 0.450 347 R N 2.031 122.590 120.500 0.098 0.000 2.782 347 R HA 0.352 4.692 4.340 -0.000 0.000 0.258 347 R C -0.470 175.872 176.300 0.070 0.000 1.055 347 R CA -0.782 55.371 56.100 0.089 0.000 1.065 347 R CB 0.921 31.296 30.300 0.124 0.000 1.172 347 R HN 0.724 nan 8.270 nan 0.000 0.510 348 E N 0.003 120.226 120.200 0.039 0.000 2.250 348 E HA 0.139 4.489 4.350 -0.000 0.000 0.269 348 E C 0.384 177.030 176.600 0.076 0.000 1.018 348 E CA -0.563 55.819 56.400 -0.031 0.000 0.873 348 E CB 0.750 30.400 29.700 -0.083 0.000 1.134 348 E HN 0.391 nan 8.360 nan 0.000 0.403 349 W N 0.698 121.869 121.300 -0.214 0.000 2.364 349 W HA -0.155 4.505 4.660 -0.000 0.000 0.281 349 W C 2.249 178.584 176.519 -0.306 0.000 1.219 349 W CA 1.300 58.353 57.345 -0.487 0.000 1.220 349 W CB -1.215 27.495 29.460 -1.250 0.000 1.127 349 W HN 0.520 nan 8.180 nan 0.000 0.556 350 S N 0.015 115.733 115.700 0.029 0.000 2.507 350 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 350 S C 1.723 176.394 174.600 0.117 0.000 0.988 350 S CA 1.210 59.454 58.200 0.074 0.000 0.944 350 S CB -0.831 62.394 63.200 0.041 0.000 0.762 350 S HN 0.207 nan 8.310 nan 0.000 0.526 351 S N 0.238 116.013 115.700 0.125 0.000 2.562 351 S HA 0.254 4.724 4.470 -0.000 0.000 0.221 351 S C 0.258 174.975 174.600 0.196 0.000 0.975 351 S CA -0.428 57.854 58.200 0.137 0.000 0.918 351 S CB -0.477 62.798 63.200 0.125 0.000 0.772 351 S HN 0.431 nan 8.310 nan 0.000 0.531 352 L N 2.245 123.616 121.223 0.247 0.000 2.265 352 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 352 L C -0.927 176.135 176.870 0.321 0.000 1.033 352 L CA -1.321 53.697 54.840 0.297 0.000 0.814 352 L CB 0.756 43.024 42.059 0.348 0.000 1.203 352 L HN 0.340 nan 8.230 nan 0.000 0.423 353 Y N 5.710 126.099 120.300 0.149 0.000 2.383 353 Y HA 0.596 5.146 4.550 -0.000 0.000 0.344 353 Y C -0.641 175.315 175.900 0.093 0.000 0.986 353 Y CA -0.344 57.826 58.100 0.117 0.000 1.175 353 Y CB 0.699 39.212 38.460 0.088 0.000 1.152 353 Y HN 0.454 nan 8.280 nan 0.000 0.511 357 D N -0.120 120.367 120.400 0.146 0.000 2.349 357 D HA 0.021 4.661 4.640 -0.000 0.000 0.215 357 D C 0.146 176.603 176.300 0.262 0.000 1.016 357 D CA 0.737 54.877 54.000 0.233 0.000 0.870 357 D CB 0.212 41.135 40.800 0.205 0.000 0.917 357 D HN 0.661 nan 8.370 nan 0.000 0.524 358 D N 0.432 120.892 120.400 0.100 0.000 2.408 358 D HA 0.064 4.704 4.640 -0.000 0.000 0.243 358 D C 0.543 176.679 176.300 -0.272 0.000 1.075 358 D CA -0.314 53.624 54.000 -0.102 0.000 0.832 358 D CB 2.080 42.808 40.800 -0.119 0.000 1.162 358 D HN -0.135 nan 8.370 nan 0.000 0.515 359 E N 2.153 121.991 120.200 -0.602 0.000 2.106 359 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 359 E C 1.738 178.189 176.600 -0.250 0.000 0.984 359 E CA 2.277 58.318 56.400 -0.599 0.000 0.806 359 E CB -0.133 29.190 29.700 -0.628 0.000 0.750 359 E HN 0.587 nan 8.360 nan 0.000 0.458 360 T N -2.136 112.303 114.554 -0.192 0.000 2.867 360 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 360 T C 1.932 176.568 174.700 -0.106 0.000 1.057 360 T CA 1.187 63.215 62.100 -0.120 0.000 1.136 360 T CB -0.394 68.416 68.868 -0.097 0.000 0.874 360 T HN 0.204 nan 8.240 nan 0.000 0.466 361 A N 1.398 124.144 122.820 -0.124 0.000 1.970 361 A HA 0.557 4.877 4.320 -0.000 0.000 0.216 361 A C 2.753 180.273 177.584 -0.108 0.000 1.170 361 A CA 1.301 53.266 52.037 -0.121 0.000 0.645 361 A CB -1.158 17.761 19.000 -0.135 0.000 0.816 361 A HN 0.706 nan 8.150 nan 0.000 0.447 362 A N 0.004 122.774 122.820 -0.084 0.000 1.897 362 A HA 0.241 4.561 4.320 -0.000 0.000 0.215 362 A C 2.467 180.039 177.584 -0.020 0.000 1.181 362 A CA 1.786 53.797 52.037 -0.042 0.000 0.620 362 A CB -0.918 18.092 19.000 0.017 0.000 0.821 362 A HN 0.940 nan 8.150 nan 0.000 0.443 363 A N -0.508 122.293 122.820 -0.030 0.000 1.902 363 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 363 A C 2.119 179.702 177.584 -0.001 0.000 1.181 363 A CA 1.741 53.772 52.037 -0.010 0.000 0.623 363 A CB -0.588 18.398 19.000 -0.024 0.000 0.818 363 A HN 0.584 nan 8.150 nan 0.000 0.443 364 L N -0.218 120.991 121.223 -0.024 0.000 2.027 364 L HA -0.065 4.274 4.340 -0.000 0.000 0.206 364 L C 2.314 179.188 176.870 0.007 0.000 1.074 364 L CA 1.640 56.471 54.840 -0.014 0.000 0.745 364 L CB -0.674 41.359 42.059 -0.042 0.000 0.898 364 L HN 0.398 nan 8.230 nan 0.000 0.433 365 L N -1.499 119.707 121.223 -0.028 0.000 2.079 365 L HA -0.320 4.020 4.340 -0.000 0.000 0.210 365 L C 2.633 179.611 176.870 0.180 0.000 1.081 365 L CA 1.485 56.337 54.840 0.020 0.000 0.752 365 L CB -0.768 41.202 42.059 -0.148 0.000 0.896 365 L HN 0.394 nan 8.230 nan 0.000 0.433 366 C N -0.353 119.015 119.300 0.113 0.000 2.429 366 C HA -0.121 4.338 4.460 -0.000 0.000 0.277 366 C C 2.746 177.805 174.990 0.115 0.000 1.262 366 C CA 0.447 59.539 59.018 0.123 0.000 1.733 366 C CB -0.667 27.123 27.740 0.084 0.000 2.010 366 C HN 0.404 nan 8.230 nan 0.000 0.483 367 K N 0.843 121.297 120.400 0.091 0.000 2.209 367 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 367 K C 1.569 178.235 176.600 0.111 0.000 1.048 367 K CA 1.016 57.353 56.287 0.085 0.000 0.940 367 K CB -0.431 32.108 32.500 0.065 0.000 0.729 367 K HN 0.544 nan 8.250 nan 0.000 0.451 368 L N -0.648 120.668 121.223 0.156 0.000 2.509 368 L HA 0.080 4.420 4.340 -0.000 0.000 0.222 368 L C 1.116 178.145 176.870 0.264 0.000 1.123 368 L CA 0.536 55.501 54.840 0.210 0.000 0.856 368 L CB -0.023 42.180 42.059 0.240 0.000 0.985 368 L HN 0.360 nan 8.230 nan 0.000 0.456 369 G N -0.747 108.177 108.800 0.206 0.000 2.148 369 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.203 369 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.203 369 G C 0.083 175.024 174.900 0.068 0.000 0.993 369 G CA -0.651 44.516 45.100 0.112 0.000 0.661 369 G HN 0.099 nan 8.290 nan 0.000 0.518 370 F N 0.639 120.698 119.950 0.181 0.000 2.410 370 F HA 0.479 5.006 4.527 -0.000 0.000 0.334 370 F C 1.018 176.876 175.800 0.097 0.000 1.134 370 F CA -0.511 57.563 58.000 0.123 0.000 1.227 370 F CB 0.680 39.684 39.000 0.006 0.000 1.194 370 F HN 0.027 nan 8.300 nan 0.000 0.571 371 N N 2.056 120.934 118.700 0.297 0.000 3.034 371 N HA 0.340 5.080 4.740 -0.000 0.000 0.265 371 N C -0.965 174.664 175.510 0.199 0.000 1.166 371 N CA -0.095 53.099 53.050 0.240 0.000 1.081 371 N CB -0.155 38.492 38.487 0.267 0.000 1.378 371 N HN 0.630 nan 8.380 nan 0.000 0.520 372 A N 1.275 124.176 122.820 0.135 0.000 2.306 372 A HA 0.750 5.070 4.320 -0.000 0.000 0.330 372 A C -0.222 177.381 177.584 0.031 0.000 1.146 372 A CA -0.540 51.508 52.037 0.018 0.000 0.827 372 A CB 1.033 20.032 19.000 -0.001 0.000 1.178 372 A HN 0.439 nan 8.150 nan 0.000 0.490 373 V N -0.739 119.161 119.914 -0.024 0.000 3.159 373 V HA 0.582 4.702 4.120 -0.000 0.000 0.308 373 V C -0.561 175.580 176.094 0.078 0.000 1.190 373 V CA -0.754 61.578 62.300 0.055 0.000 1.037 373 V CB 1.694 33.581 31.823 0.107 0.000 1.060 373 V HN 1.081 nan 8.190 nan 0.000 0.437 374 H N 1.767 120.841 119.070 0.007 0.000 2.504 374 H HA 0.492 5.048 4.556 -0.000 0.000 0.322 374 H C -1.282 174.065 175.328 0.031 0.000 1.055 374 H CA -0.379 55.675 56.048 0.010 0.000 1.231 374 H CB 1.112 30.870 29.762 -0.007 0.000 1.417 374 H HN 1.035 nan 8.280 nan 0.000 0.472 375 H N 7.031 125.902 119.070 -0.332 0.000 2.652 375 H HA 0.257 4.813 4.556 -0.000 0.000 0.298 375 H C -2.171 172.792 175.328 -0.609 0.000 1.076 375 H CA -1.385 54.448 56.048 -0.359 0.000 1.360 375 H CB 0.835 30.515 29.762 -0.136 0.000 1.421 375 H HN 0.555 nan 8.280 nan 0.000 0.464 376 P HA 0.000 nan 4.420 nan 0.000 0.216 376 P CA 0.000 62.843 63.100 -0.427 0.000 0.800 376 P CB 0.000 31.514 31.700 -0.310 0.000 0.726