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 2r2n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSKIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.063 176.300 -0.394 0.000 1.140 1 M CA 0.000 55.042 55.300 -0.430 0.000 0.988 1 M CB 0.000 32.496 32.600 -0.174 0.000 1.302 2 N N 1.185 119.758 118.700 -0.212 0.000 2.968 2 N HA 0.231 4.971 4.740 -0.001 0.000 0.271 2 N C -0.260 175.253 175.510 0.004 0.000 1.174 2 N CA 0.223 53.212 53.050 -0.101 0.000 1.096 2 N CB -0.246 38.193 38.487 -0.079 0.000 1.403 2 N HN 0.499 nan 8.380 nan 0.000 0.522 3 Y N 0.989 121.405 120.300 0.192 0.000 2.403 3 Y HA -0.127 4.422 4.550 -0.001 0.000 0.291 3 Y C 2.208 178.235 175.900 0.212 0.000 1.143 3 Y CA 0.799 59.069 58.100 0.283 0.000 1.257 3 Y CB 0.052 38.618 38.460 0.178 0.000 0.984 3 Y HN 0.584 nan 8.280 nan 0.000 0.550 4 A N 1.309 124.251 122.820 0.204 0.000 1.978 4 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 4 A C 2.251 179.832 177.584 -0.004 0.000 1.170 4 A CA 1.898 53.991 52.037 0.093 0.000 0.636 4 A CB -0.635 18.391 19.000 0.044 0.000 0.810 4 A HN 0.614 nan 8.150 nan 0.000 0.448 5 R N -1.629 118.771 120.500 -0.167 0.000 2.235 5 R HA 0.013 4.352 4.340 -0.001 0.000 0.213 5 R C 0.400 176.454 176.300 -0.410 0.000 1.059 5 R CA 1.247 57.120 56.100 -0.378 0.000 0.997 5 R CB -0.528 29.419 30.300 -0.588 0.000 0.884 5 R HN 0.466 nan 8.270 nan 0.000 0.462 6 F N 1.324 121.337 119.950 0.104 0.000 2.660 6 F HA 0.443 4.970 4.527 0.000 0.000 0.297 6 F C 0.136 176.006 175.800 0.117 0.000 1.132 6 F CA -0.432 57.645 58.000 0.130 0.000 1.372 6 F CB 0.391 39.493 39.000 0.171 0.000 1.003 6 F HN -0.131 nan 8.300 nan 0.000 0.524 7 I N -0.456 120.226 120.570 0.187 0.000 2.500 7 I HA 0.152 4.322 4.170 -0.001 0.000 0.286 7 I C 0.391 176.557 176.117 0.082 0.000 1.063 7 I CA -0.471 60.912 61.300 0.138 0.000 1.062 7 I CB 1.929 40.005 38.000 0.126 0.000 1.223 7 I HN -0.170 nan 8.210 nan 0.000 0.435 8 T N 3.306 117.906 114.554 0.077 0.000 2.701 8 T HA 0.214 4.564 4.350 -0.001 0.000 0.303 8 T C 1.305 176.022 174.700 0.027 0.000 1.030 8 T CA 0.623 62.752 62.100 0.049 0.000 1.010 8 T CB 1.138 70.038 68.868 0.053 0.000 1.007 8 T HN 0.723 nan 8.240 nan 0.000 0.532 9 A N 1.393 124.222 122.820 0.014 0.000 1.897 9 A HA 0.188 4.508 4.320 -0.001 0.000 0.215 9 A C 2.597 180.180 177.584 -0.002 0.000 1.181 9 A CA 1.791 53.831 52.037 0.005 0.000 0.620 9 A CB -1.317 17.683 19.000 0.001 0.000 0.821 9 A HN 0.948 nan 8.150 nan 0.000 0.443 10 A N -0.558 122.257 122.820 -0.008 0.000 1.883 10 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 10 A C 2.525 180.086 177.584 -0.037 0.000 1.186 10 A CA 2.393 54.413 52.037 -0.028 0.000 0.624 10 A CB -1.065 17.912 19.000 -0.039 0.000 0.822 10 A HN 0.609 nan 8.150 nan 0.000 0.444 11 S N -0.472 115.216 115.700 -0.020 0.000 2.368 11 S HA -0.023 4.447 4.470 -0.001 0.000 0.225 11 S C 2.180 176.781 174.600 0.002 0.000 1.030 11 S CA 1.558 59.751 58.200 -0.013 0.000 0.999 11 S CB -0.528 62.688 63.200 0.028 0.000 0.844 11 S HN 0.879 nan 8.310 nan 0.000 0.459 12 A N 1.171 124.000 122.820 0.014 0.000 1.978 12 A HA 0.172 4.492 4.320 -0.001 0.000 0.220 12 A C 2.361 179.949 177.584 0.006 0.000 1.170 12 A CA 1.788 53.836 52.037 0.018 0.000 0.636 12 A CB -1.198 17.816 19.000 0.022 0.000 0.810 12 A HN 0.806 nan 8.150 nan 0.000 0.448 13 A N -0.361 122.456 122.820 -0.005 0.000 2.119 13 A HA 0.023 4.343 4.320 -0.001 0.000 0.217 13 A C 1.329 178.905 177.584 -0.014 0.000 1.153 13 A CA 0.022 52.053 52.037 -0.010 0.000 0.692 13 A CB -0.256 18.735 19.000 -0.015 0.000 0.799 13 A HN 0.551 nan 8.150 nan 0.000 0.458 14 R N 1.290 121.779 120.500 -0.018 0.000 2.570 14 R HA 0.156 4.496 4.340 -0.001 0.000 0.277 14 R C -0.875 175.422 176.300 -0.005 0.000 1.039 14 R CA 0.089 56.178 56.100 -0.019 0.000 1.065 14 R CB 0.138 30.424 30.300 -0.022 0.000 0.964 14 R HN 0.382 nan 8.270 nan 0.000 0.428 15 N N 2.803 121.501 118.700 -0.004 0.000 2.335 15 N HA 0.226 4.966 4.740 -0.001 0.000 0.304 15 N C -1.738 173.773 175.510 0.003 0.000 1.135 15 N CA -1.594 51.456 53.050 0.001 0.000 0.817 15 N CB 1.243 39.730 38.487 -0.001 0.000 1.294 15 N HN 0.243 nan 8.380 nan 0.000 0.497 16 P HA -0.256 nan 4.420 nan 0.000 0.227 16 P C 0.624 177.926 177.300 0.002 0.000 0.791 16 P CA 1.927 65.030 63.100 0.004 0.000 1.075 16 P CB 0.287 31.989 31.700 0.003 0.000 0.728 17 S N -4.302 111.397 115.700 -0.002 0.000 4.257 17 S HA 0.117 4.587 4.470 -0.001 0.000 0.208 17 S C -1.505 173.090 174.600 -0.008 0.000 1.152 17 S CA 0.274 58.470 58.200 -0.006 0.000 1.110 17 S CB -1.343 61.851 63.200 -0.009 0.000 1.434 17 S HN 0.141 nan 8.310 nan 0.000 0.509 18 P HA 0.451 nan 4.420 nan 0.000 0.214 18 P C 1.116 178.410 177.300 -0.009 0.000 1.144 18 P CA 0.221 63.317 63.100 -0.006 0.000 0.884 18 P CB 0.006 31.704 31.700 -0.004 0.000 0.784 19 I N -0.381 120.183 120.570 -0.010 0.000 4.557 19 I HA -0.409 3.761 4.170 -0.001 0.000 0.077 19 I C 1.804 177.914 176.117 -0.011 0.000 0.630 19 I CA 2.349 63.642 61.300 -0.012 0.000 0.724 19 I CB -0.661 37.328 38.000 -0.019 0.000 0.656 19 I HN -0.051 nan 8.210 nan 0.000 0.183 20 R N 0.123 120.614 120.500 -0.015 0.000 2.340 20 R HA 0.024 4.363 4.340 -0.001 0.000 0.215 20 R C 1.623 177.917 176.300 -0.009 0.000 1.017 20 R CA 0.873 56.965 56.100 -0.014 0.000 1.111 20 R CB -0.394 29.893 30.300 -0.021 0.000 1.049 20 R HN 0.753 nan 8.270 nan 0.000 0.490 21 T N -2.277 112.273 114.554 -0.006 0.000 2.951 21 T HA -0.083 4.267 4.350 -0.001 0.000 0.268 21 T C 1.827 176.525 174.700 -0.004 0.000 1.073 21 T CA 0.492 62.590 62.100 -0.004 0.000 1.134 21 T CB 0.056 68.922 68.868 -0.002 0.000 0.884 21 T HN 0.019 nan 8.240 nan 0.000 0.479 22 M N 2.777 122.374 119.600 -0.004 0.000 2.066 22 M HA -0.058 4.422 4.480 -0.001 0.000 0.259 22 M C 2.841 179.139 176.300 -0.003 0.000 1.074 22 M CA 2.420 57.718 55.300 -0.003 0.000 1.114 22 M CB -1.635 30.963 32.600 -0.003 0.000 1.306 22 M HN 0.597 nan 8.290 nan 0.000 0.411 23 T N -2.289 112.263 114.554 -0.004 0.000 3.051 23 T HA -0.142 4.208 4.350 -0.001 0.000 0.269 23 T C 1.333 176.031 174.700 -0.004 0.000 1.127 23 T CA 1.627 63.725 62.100 -0.003 0.000 1.107 23 T CB -0.426 68.441 68.868 -0.002 0.000 0.898 23 T HN 0.296 nan 8.240 nan 0.000 0.517 24 D N 1.699 122.096 120.400 -0.005 0.000 2.097 24 D HA -0.054 4.586 4.640 -0.001 0.000 0.197 24 D C 1.907 178.205 176.300 -0.004 0.000 0.984 24 D CA 1.034 55.031 54.000 -0.005 0.000 0.826 24 D CB -0.499 40.298 40.800 -0.004 0.000 0.973 24 D HN 0.539 nan 8.370 nan 0.000 0.460 25 I N 0.112 120.680 120.570 -0.003 0.000 2.315 25 I HA -0.233 3.936 4.170 -0.001 0.000 0.251 25 I C 2.329 178.444 176.117 -0.003 0.000 1.125 25 I CA 0.427 61.726 61.300 -0.003 0.000 1.392 25 I CB -0.316 37.683 38.000 -0.002 0.000 1.065 25 I HN 0.155 nan 8.210 nan 0.000 0.424 26 L N 0.347 121.568 121.223 -0.003 0.000 2.083 26 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 26 L C 2.593 179.460 176.870 -0.005 0.000 1.083 26 L CA 1.779 56.617 54.840 -0.004 0.000 0.752 26 L CB -0.590 41.467 42.059 -0.003 0.000 0.899 26 L HN 0.061 nan 8.230 nan 0.000 0.433 27 S N -0.065 115.632 115.700 -0.006 0.000 2.387 27 S HA -0.167 4.303 4.470 -0.001 0.000 0.230 27 S C 1.781 176.377 174.600 -0.007 0.000 1.035 27 S CA 1.652 59.847 58.200 -0.007 0.000 1.014 27 S CB -0.282 62.913 63.200 -0.008 0.000 0.836 27 S HN 0.606 nan 8.310 nan 0.000 0.466 28 R N 1.063 121.560 120.500 -0.005 0.000 2.472 28 R HA 0.257 4.597 4.340 -0.001 0.000 0.279 28 R C 0.724 177.022 176.300 -0.004 0.000 0.953 28 R CA 0.151 56.248 56.100 -0.005 0.000 1.088 28 R CB -0.628 29.670 30.300 -0.003 0.000 1.197 28 R HN 0.252 nan 8.270 nan 0.000 0.536 29 G N 2.168 110.966 108.800 -0.004 0.000 2.563 29 G HA2 0.448 4.408 3.960 -0.001 0.000 0.283 29 G HA3 0.448 4.408 3.960 -0.001 0.000 0.283 29 G C -2.347 172.551 174.900 -0.004 0.000 1.309 29 G CA -0.963 44.135 45.100 -0.004 0.000 1.022 29 G HN 0.122 nan 8.290 nan 0.000 0.501 30 P HA 0.238 nan 4.420 nan 0.000 0.274 30 P C 0.559 177.856 177.300 -0.005 0.000 1.237 30 P CA -0.560 62.538 63.100 -0.004 0.000 0.793 30 P CB 0.868 32.566 31.700 -0.004 0.000 0.977 31 K N 0.347 120.744 120.400 -0.006 0.000 2.442 31 K HA -0.043 4.277 4.320 -0.001 0.000 0.198 31 K C 1.362 177.958 176.600 -0.006 0.000 1.042 31 K CA 1.155 57.438 56.287 -0.007 0.000 0.958 31 K CB -0.424 32.072 32.500 -0.007 0.000 0.766 31 K HN 0.560 nan 8.250 nan 0.000 0.474 32 S N -0.114 115.583 115.700 -0.005 0.000 2.593 32 S HA 0.061 4.530 4.470 -0.001 0.000 0.217 32 S C 0.890 175.488 174.600 -0.005 0.000 0.966 32 S CA -0.264 57.933 58.200 -0.005 0.000 0.914 32 S CB -0.232 62.966 63.200 -0.004 0.000 0.776 32 S HN 0.193 nan 8.310 nan 0.000 0.523 33 M N 2.154 121.751 119.600 -0.005 0.000 2.228 33 M HA 0.393 4.873 4.480 -0.001 0.000 0.351 33 M C -1.239 175.059 176.300 -0.004 0.000 1.233 33 M CA -0.088 55.210 55.300 -0.004 0.000 1.129 33 M CB 0.356 32.953 32.600 -0.004 0.000 1.604 33 M HN 0.198 nan 8.290 nan 0.000 0.457 34 I N 3.723 124.291 120.570 -0.004 0.000 2.339 34 I HA 0.236 4.406 4.170 -0.001 0.000 0.290 34 I C -0.293 175.822 176.117 -0.003 0.000 0.994 34 I CA -0.344 60.954 61.300 -0.004 0.000 1.191 34 I CB 1.784 39.782 38.000 -0.004 0.000 1.343 34 I HN 0.597 nan 8.210 nan 0.000 0.458 35 S N 6.832 122.530 115.700 -0.002 0.000 2.456 35 S HA 0.532 5.002 4.470 -0.001 0.000 0.316 35 S C 0.274 174.874 174.600 -0.000 0.000 1.089 35 S CA -0.635 57.564 58.200 -0.001 0.000 1.101 35 S CB 0.723 63.923 63.200 -0.000 0.000 0.995 35 S HN 0.602 nan 8.310 nan 0.000 0.468 36 L N 4.208 125.432 121.223 0.000 0.000 2.818 36 L HA 0.352 4.691 4.340 -0.001 0.000 0.243 36 L C 1.769 178.641 176.870 0.003 0.000 1.185 36 L CA -0.061 54.780 54.840 0.002 0.000 0.988 36 L CB -0.234 41.825 42.059 0.001 0.000 1.292 36 L HN 0.768 nan 8.230 nan 0.000 0.519 37 A N 0.094 122.916 122.820 0.003 0.000 2.030 37 A HA 0.318 4.637 4.320 -0.001 0.000 0.215 37 A C 1.366 178.952 177.584 0.004 0.000 1.164 37 A CA 0.670 52.708 52.037 0.002 0.000 0.697 37 A CB -0.166 18.834 19.000 0.000 0.000 0.827 37 A HN 0.352 nan 8.150 nan 0.000 0.457 38 G N -1.764 107.041 108.800 0.007 0.000 2.562 38 G HA2 0.424 4.384 3.960 -0.001 0.000 0.275 38 G HA3 0.424 4.384 3.960 -0.001 0.000 0.275 38 G C 0.565 175.477 174.900 0.019 0.000 1.196 38 G CA 0.075 45.181 45.100 0.011 0.000 0.908 38 G HN 0.609 nan 8.290 nan 0.000 0.524 39 G N -0.614 108.199 108.800 0.021 0.000 3.899 39 G HA2 0.394 4.354 3.960 -0.001 0.000 0.293 39 G HA3 0.394 4.354 3.960 -0.001 0.000 0.293 39 G C 0.257 175.217 174.900 0.101 0.000 1.054 39 G CA -0.418 44.703 45.100 0.037 0.000 0.846 39 G HN 0.392 nan 8.290 nan 0.000 0.525 40 L N 2.409 123.704 121.223 0.121 0.000 2.331 40 L HA 0.338 4.678 4.340 -0.001 0.000 0.278 40 L C -1.484 175.480 176.870 0.158 0.000 1.106 40 L CA -1.725 53.243 54.840 0.214 0.000 0.824 40 L CB 0.946 43.108 42.059 0.170 0.000 1.142 40 L HN 0.050 nan 8.230 nan 0.000 0.443 41 P HA 0.027 nan 4.420 nan 0.000 0.272 41 P C -0.761 176.494 177.300 -0.076 0.000 1.230 41 P CA -0.552 62.594 63.100 0.076 0.000 0.788 41 P CB 0.519 32.312 31.700 0.155 0.000 0.949 42 N N 2.428 121.028 118.700 -0.166 0.000 2.431 42 N HA 0.028 4.768 4.740 -0.001 0.000 0.265 42 N C -1.385 173.789 175.510 -0.561 0.000 1.184 42 N CA -1.462 51.441 53.050 -0.246 0.000 0.943 42 N CB 0.464 38.844 38.487 -0.178 0.000 1.080 42 N HN 0.241 nan 8.380 nan 0.000 0.477 43 P HA -0.006 nan 4.420 nan 0.000 0.236 43 P C 0.439 177.447 177.300 -0.487 0.000 1.177 43 P CA 0.504 63.170 63.100 -0.723 0.000 0.773 43 P CB 0.486 32.096 31.700 -0.149 0.000 0.878 44 N N -0.318 118.196 118.700 -0.309 0.000 2.453 44 N HA -0.016 4.723 4.740 -0.001 0.000 0.183 44 N C 1.490 176.898 175.510 -0.170 0.000 1.041 44 N CA 0.931 53.879 53.050 -0.171 0.000 0.900 44 N CB -0.184 38.235 38.487 -0.113 0.000 0.961 44 N HN 0.180 nan 8.380 nan 0.000 0.443 45 M N -0.126 119.297 119.600 -0.295 0.000 2.506 45 M HA 0.080 4.560 4.480 -0.001 0.000 0.260 45 M C -0.154 176.129 176.300 -0.027 0.000 1.104 45 M CA 0.218 55.412 55.300 -0.177 0.000 1.112 45 M CB -0.552 31.927 32.600 -0.201 0.000 1.401 45 M HN -0.163 nan 8.290 nan 0.000 0.473 46 F N 2.330 122.265 119.950 -0.023 0.000 2.529 46 F HA 0.167 4.694 4.527 -0.001 0.000 0.365 46 F C -0.989 174.756 175.800 -0.091 0.000 1.102 46 F CA -2.376 55.603 58.000 -0.035 0.000 1.271 46 F CB -0.630 38.396 39.000 0.042 0.000 1.120 46 F HN 0.048 nan 8.300 nan 0.000 0.579 47 P HA -0.074 nan 4.420 nan 0.000 0.224 47 P C -0.025 177.130 177.300 -0.241 0.000 1.157 47 P CA 0.751 63.701 63.100 -0.250 0.000 0.799 47 P CB 0.096 31.529 31.700 -0.445 0.000 0.809 48 F N 1.029 121.031 119.950 0.086 0.000 2.504 48 F HA 0.174 4.700 4.527 -0.001 0.000 0.369 48 F C 1.775 177.646 175.800 0.118 0.000 1.082 48 F CA 0.041 58.091 58.000 0.083 0.000 1.216 48 F CB 0.262 39.302 39.000 0.066 0.000 1.108 48 F HN -0.277 nan 8.300 nan 0.000 0.554 49 K N 0.583 121.130 120.400 0.246 0.000 2.387 49 K HA 0.158 4.478 4.320 -0.001 0.000 0.197 49 K C 0.562 177.269 176.600 0.179 0.000 1.127 49 K CA 0.669 57.062 56.287 0.176 0.000 0.950 49 K CB 0.335 32.897 32.500 0.104 0.000 1.017 49 K HN 0.748 nan 8.250 nan 0.000 0.519 50 T N -2.006 112.660 114.554 0.186 0.000 2.843 50 T HA 0.801 5.150 4.350 -0.001 0.000 0.302 50 T C -1.490 173.306 174.700 0.159 0.000 1.232 50 T CA -0.867 61.330 62.100 0.162 0.000 1.009 50 T CB 2.325 71.251 68.868 0.097 0.000 1.254 50 T HN 0.061 nan 8.240 nan 0.000 0.504 51 A N 0.657 123.536 122.820 0.097 0.000 2.520 51 A HA 0.872 5.192 4.320 -0.001 0.000 0.298 51 A C -0.787 176.712 177.584 -0.142 0.000 1.051 51 A CA -0.495 51.531 52.037 -0.018 0.000 0.690 51 A CB 1.846 20.807 19.000 -0.066 0.000 1.281 51 A HN 2.130 nan 8.150 nan 0.000 0.402 52 V N 1.826 121.659 119.914 -0.135 0.000 2.577 52 V HA 0.824 4.944 4.120 -0.001 0.000 0.303 52 V C -1.434 174.558 176.094 -0.170 0.000 1.042 52 V CA -0.515 61.688 62.300 -0.161 0.000 0.872 52 V CB 1.042 32.810 31.823 -0.090 0.000 0.998 52 V HN 0.720 nan 8.190 nan 0.000 0.423 53 I N 6.174 126.609 120.570 -0.225 0.000 2.439 53 I HA 0.444 4.614 4.170 -0.001 0.000 0.285 53 I C 0.508 176.525 176.117 -0.167 0.000 1.021 53 I CA -0.455 60.725 61.300 -0.199 0.000 1.091 53 I CB 2.415 40.255 38.000 -0.267 0.000 1.242 53 I HN 0.852 nan 8.210 nan 0.000 0.439 54 T N 3.348 117.830 114.554 -0.120 0.000 2.910 54 T HA 0.636 4.986 4.350 -0.001 0.000 0.293 54 T C -0.238 174.397 174.700 -0.108 0.000 1.015 54 T CA -0.562 61.478 62.100 -0.100 0.000 1.094 54 T CB 1.685 70.513 68.868 -0.067 0.000 0.968 54 T HN 0.224 nan 8.240 nan 0.000 0.521 55 V N 1.895 121.748 119.914 -0.100 0.000 2.735 55 V HA 0.444 4.564 4.120 -0.001 0.000 0.310 55 V C 0.036 176.108 176.094 -0.036 0.000 1.061 55 V CA -1.020 61.217 62.300 -0.104 0.000 0.913 55 V CB 1.859 33.574 31.823 -0.181 0.000 1.005 55 V HN 1.047 nan 8.190 nan 0.000 0.428 56 E N 2.739 122.940 120.200 0.002 0.000 2.259 56 E HA 0.315 4.665 4.350 -0.001 0.000 0.281 56 E C -0.036 176.642 176.600 0.130 0.000 1.027 56 E CA -0.063 56.368 56.400 0.052 0.000 0.838 56 E CB 0.293 30.025 29.700 0.054 0.000 1.066 56 E HN 0.777 nan 8.360 nan 0.000 0.401 57 N N 1.806 120.579 118.700 0.123 0.000 2.756 57 N HA -0.198 4.542 4.740 -0.001 0.000 0.248 57 N C -0.727 174.951 175.510 0.280 0.000 1.062 57 N CA 0.515 53.669 53.050 0.173 0.000 0.696 57 N CB -0.763 37.827 38.487 0.171 0.000 0.946 57 N HN 0.629 nan 8.380 nan 0.000 0.548 58 G N -0.430 108.464 108.800 0.156 0.000 2.442 58 G HA2 0.334 4.294 3.960 -0.001 0.000 0.296 58 G HA3 0.334 4.294 3.960 -0.001 0.000 0.296 58 G C -1.328 173.572 174.900 0.001 0.000 1.564 58 G CA -1.020 44.139 45.100 0.099 0.000 0.828 58 G HN 0.100 nan 8.290 nan 0.000 0.571 59 K N 0.605 120.989 120.400 -0.026 0.000 2.295 59 K HA 0.465 4.785 4.320 -0.001 0.000 0.270 59 K C 1.181 177.729 176.600 -0.087 0.000 1.011 59 K CA 0.066 56.328 56.287 -0.043 0.000 0.953 59 K CB 0.765 33.245 32.500 -0.033 0.000 0.956 59 K HN 0.721 nan 8.250 nan 0.000 0.477 60 T N 1.357 115.864 114.554 -0.078 0.000 2.940 60 T HA 0.121 4.471 4.350 -0.001 0.000 0.309 60 T C 0.294 174.917 174.700 -0.129 0.000 1.056 60 T CA -0.295 61.742 62.100 -0.105 0.000 1.137 60 T CB 0.095 68.911 68.868 -0.087 0.000 0.976 60 T HN 0.331 nan 8.240 nan 0.000 0.547 61 I N 3.592 124.054 120.570 -0.181 0.000 2.331 61 I HA 0.290 4.460 4.170 -0.001 0.000 0.292 61 I C 0.542 176.509 176.117 -0.249 0.000 0.998 61 I CA -0.511 60.662 61.300 -0.212 0.000 1.267 61 I CB 1.204 39.033 38.000 -0.286 0.000 1.386 61 I HN 0.637 nan 8.210 nan 0.000 0.476 62 Q N 6.194 125.906 119.800 -0.147 0.000 2.330 62 Q HA 0.468 4.807 4.340 -0.001 0.000 0.269 62 Q C -1.502 174.558 176.000 0.100 0.000 1.022 62 Q CA -0.780 54.964 55.803 -0.098 0.000 0.796 62 Q CB 2.602 31.320 28.738 -0.034 0.000 1.271 62 Q HN 0.377 nan 8.270 nan 0.000 0.450 63 F N 1.317 121.201 119.950 -0.111 0.000 2.361 63 F HA 0.410 4.936 4.527 -0.001 0.000 0.364 63 F C 1.002 176.774 175.800 -0.048 0.000 1.120 63 F CA -1.049 56.886 58.000 -0.108 0.000 1.102 63 F CB 0.720 39.626 39.000 -0.156 0.000 1.183 63 F HN 0.584 nan 8.300 nan 0.000 0.476 64 G N 2.597 111.480 108.800 0.139 0.000 2.553 64 G HA2 0.154 4.114 3.960 -0.001 0.000 0.278 64 G HA3 0.154 4.114 3.960 -0.001 0.000 0.278 64 G C 0.851 175.797 174.900 0.076 0.000 1.349 64 G CA -0.350 44.798 45.100 0.079 0.000 1.037 64 G HN 0.505 nan 8.290 nan 0.000 0.508 65 E N 0.025 120.257 120.200 0.053 0.000 2.085 65 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 65 E C 2.140 178.762 176.600 0.036 0.000 0.994 65 E CA 1.069 57.501 56.400 0.053 0.000 0.801 65 E CB -0.078 29.644 29.700 0.037 0.000 0.743 65 E HN 0.520 nan 8.360 nan 0.000 0.453 66 E N 0.454 120.659 120.200 0.009 0.000 2.072 66 E HA -0.090 4.260 4.350 -0.001 0.000 0.190 66 E C 2.043 178.615 176.600 -0.046 0.000 0.982 66 E CA 0.590 56.982 56.400 -0.014 0.000 0.803 66 E CB -0.279 29.407 29.700 -0.023 0.000 0.755 66 E HN 0.142 nan 8.360 nan 0.000 0.453 67 M N 0.515 120.071 119.600 -0.074 0.000 2.117 67 M HA -0.138 4.342 4.480 -0.001 0.000 0.262 67 M C 2.220 178.386 176.300 -0.223 0.000 1.065 67 M CA 1.275 56.458 55.300 -0.195 0.000 1.114 67 M CB -0.329 32.130 32.600 -0.234 0.000 1.361 67 M HN 0.083 nan 8.290 nan 0.000 0.408 68 M N 0.251 119.828 119.600 -0.038 0.000 2.080 68 M HA -0.214 4.265 4.480 -0.001 0.000 0.260 68 M C 1.769 178.132 176.300 0.105 0.000 1.068 68 M CA 1.981 57.337 55.300 0.093 0.000 1.109 68 M CB -0.457 32.272 32.600 0.215 0.000 1.342 68 M HN 0.242 nan 8.290 nan 0.000 0.405 69 K N -0.875 119.574 120.400 0.082 0.000 2.063 69 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 69 K C 2.306 178.949 176.600 0.072 0.000 1.048 69 K CA 1.722 58.070 56.287 0.102 0.000 0.928 69 K CB -0.420 32.111 32.500 0.051 0.000 0.713 69 K HN 0.431 nan 8.250 nan 0.000 0.442 70 R N 0.846 121.336 120.500 -0.018 0.000 2.075 70 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 70 R C 2.268 178.530 176.300 -0.062 0.000 1.126 70 R CA 1.246 57.312 56.100 -0.055 0.000 0.963 70 R CB -0.211 30.015 30.300 -0.123 0.000 0.858 70 R HN 0.181 nan 8.270 nan 0.000 0.435 71 A N 1.013 123.757 122.820 -0.127 0.000 1.978 71 A HA -0.119 4.200 4.320 -0.001 0.000 0.220 71 A C 1.992 179.664 177.584 0.148 0.000 1.170 71 A CA 1.190 53.180 52.037 -0.078 0.000 0.636 71 A CB -0.368 18.509 19.000 -0.204 0.000 0.810 71 A HN 0.366 nan 8.150 nan 0.000 0.448 72 L N -1.233 120.090 121.223 0.167 0.000 2.592 72 L HA 0.125 4.465 4.340 -0.001 0.000 0.227 72 L C 0.880 177.803 176.870 0.088 0.000 1.127 72 L CA -0.111 54.810 54.840 0.135 0.000 0.884 72 L CB -0.082 42.123 42.059 0.243 0.000 1.065 72 L HN 0.433 nan 8.230 nan 0.000 0.457 73 Q N -0.710 119.158 119.800 0.114 0.000 2.351 73 Q HA 0.295 4.635 4.340 -0.001 0.000 0.273 73 Q C -0.891 175.139 176.000 0.050 0.000 1.077 73 Q CA -0.712 55.159 55.803 0.113 0.000 0.843 73 Q CB 0.984 29.811 28.738 0.148 0.000 1.367 73 Q HN 0.008 nan 8.270 nan 0.000 0.449 74 Y N 0.695 121.070 120.300 0.126 0.000 2.890 74 Y HA 0.200 4.750 4.550 -0.000 0.000 0.341 74 Y C 0.777 176.533 175.900 -0.240 0.000 1.269 74 Y CA 1.180 59.290 58.100 0.018 0.000 1.517 74 Y CB 0.343 38.862 38.460 0.098 0.000 1.314 74 Y HN 0.660 nan 8.280 nan 0.000 0.622 75 S N 1.386 116.789 115.700 -0.496 0.000 2.685 75 S HA 0.730 5.200 4.470 -0.001 0.000 0.282 75 S C -3.153 171.253 174.600 -0.324 0.000 1.159 75 S CA -1.951 56.028 58.200 -0.368 0.000 0.833 75 S CB 1.921 64.925 63.200 -0.327 0.000 1.151 75 S HN 0.235 nan 8.310 nan 0.000 0.485 76 P HA 0.317 nan 4.420 nan 0.000 0.269 76 P C 0.455 177.761 177.300 0.010 0.000 1.209 76 P CA -0.149 62.920 63.100 -0.051 0.000 0.776 76 P CB 0.459 32.141 31.700 -0.030 0.000 0.876 77 S N 2.076 117.806 115.700 0.050 0.000 2.370 77 S HA -0.189 4.281 4.470 -0.001 0.000 0.226 77 S C 1.814 176.461 174.600 0.080 0.000 1.033 77 S CA 1.696 59.954 58.200 0.096 0.000 1.011 77 S CB -0.716 62.525 63.200 0.068 0.000 0.852 77 S HN 0.630 nan 8.310 nan 0.000 0.457 78 A N 0.471 123.319 122.820 0.047 0.000 2.167 78 A HA 0.514 4.834 4.320 -0.001 0.000 0.214 78 A C 1.059 178.669 177.584 0.043 0.000 1.151 78 A CA 0.832 52.892 52.037 0.039 0.000 0.735 78 A CB -0.514 18.500 19.000 0.023 0.000 0.802 78 A HN 0.810 nan 8.150 nan 0.000 0.467 79 G N -0.954 107.872 108.800 0.043 0.000 2.357 79 G HA2 0.220 4.180 3.960 -0.001 0.000 0.643 79 G HA3 0.220 4.180 3.960 -0.001 0.000 0.643 79 G C -0.273 174.631 174.900 0.006 0.000 1.358 79 G CA -0.543 44.579 45.100 0.037 0.000 0.986 79 G HN 1.138 nan 8.290 nan 0.000 0.620 80 I N -0.636 119.932 120.570 -0.004 0.000 2.696 80 I HA 0.450 4.620 4.170 -0.001 0.000 0.284 80 I C -0.810 175.300 176.117 -0.013 0.000 1.129 80 I CA -1.673 59.610 61.300 -0.028 0.000 1.410 80 I CB 1.140 39.110 38.000 -0.049 0.000 1.399 80 I HN 0.324 nan 8.210 nan 0.000 0.579 81 P HA -0.223 nan 4.420 nan 0.000 0.215 81 P C 1.120 178.434 177.300 0.022 0.000 1.153 81 P CA 1.601 64.700 63.100 -0.002 0.000 0.853 81 P CB -0.187 31.505 31.700 -0.012 0.000 0.788 82 E N -0.195 120.011 120.200 0.010 0.000 2.204 82 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 82 E C 2.031 178.744 176.600 0.187 0.000 0.989 82 E CA 0.787 57.226 56.400 0.065 0.000 0.824 82 E CB -1.135 28.514 29.700 -0.084 0.000 0.756 82 E HN 0.208 nan 8.360 nan 0.000 0.477 83 L N 0.865 122.145 121.223 0.095 0.000 2.127 83 L HA 0.058 4.398 4.340 -0.001 0.000 0.203 83 L C 2.402 179.315 176.870 0.071 0.000 1.080 83 L CA 1.027 55.922 54.840 0.092 0.000 0.768 83 L CB -0.398 41.675 42.059 0.024 0.000 0.924 83 L HN 0.035 nan 8.230 nan 0.000 0.444 84 L N -0.547 120.699 121.223 0.039 0.000 2.042 84 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 84 L C 2.690 179.576 176.870 0.027 0.000 1.076 84 L CA 1.696 56.544 54.840 0.013 0.000 0.749 84 L CB -0.800 41.266 42.059 0.012 0.000 0.893 84 L HN 0.519 nan 8.230 nan 0.000 0.432 85 S N -1.591 114.149 115.700 0.067 0.000 2.387 85 S HA -0.233 4.237 4.470 -0.001 0.000 0.226 85 S C 1.698 176.329 174.600 0.051 0.000 1.026 85 S CA 0.480 58.713 58.200 0.055 0.000 0.972 85 S CB -0.856 62.386 63.200 0.070 0.000 0.814 85 S HN 0.543 nan 8.310 nan 0.000 0.477 86 W N 1.393 122.655 121.300 -0.063 0.000 2.358 86 W HA 0.059 4.718 4.660 -0.001 0.000 0.303 86 W C 1.778 178.176 176.519 -0.201 0.000 1.208 86 W CA 0.724 57.971 57.345 -0.163 0.000 1.274 86 W CB -0.239 29.064 29.460 -0.260 0.000 1.138 86 W HN 0.222 nan 8.180 nan 0.000 0.515 87 L N 0.840 122.124 121.223 0.103 0.000 2.056 87 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 87 L C 2.198 178.979 176.870 -0.147 0.000 1.078 87 L CA 1.813 56.575 54.840 -0.130 0.000 0.749 87 L CB -1.476 40.338 42.059 -0.408 0.000 0.901 87 L HN -0.025 nan 8.230 nan 0.000 0.433 88 K N -1.086 119.255 120.400 -0.099 0.000 2.057 88 K HA -0.207 4.112 4.320 -0.001 0.000 0.206 88 K C 2.099 178.626 176.600 -0.121 0.000 1.050 88 K CA 1.015 57.255 56.287 -0.078 0.000 0.935 88 K CB -0.090 32.377 32.500 -0.055 0.000 0.715 88 K HN 0.115 nan 8.250 nan 0.000 0.439 89 Q N 1.362 121.051 119.800 -0.186 0.000 2.124 89 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 89 Q C 1.904 177.722 176.000 -0.303 0.000 0.977 89 Q CA 1.129 56.785 55.803 -0.245 0.000 0.850 89 Q CB -0.208 28.345 28.738 -0.308 0.000 0.901 89 Q HN 0.229 nan 8.270 nan 0.000 0.429 90 L N 0.001 120.987 121.223 -0.395 0.000 2.017 90 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 90 L C 2.031 178.821 176.870 -0.132 0.000 1.073 90 L CA 1.782 56.425 54.840 -0.329 0.000 0.745 90 L CB -0.505 41.347 42.059 -0.344 0.000 0.894 90 L HN 0.202 nan 8.230 nan 0.000 0.432 91 Q N -0.191 119.583 119.800 -0.042 0.000 2.096 91 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 91 Q C 2.372 178.358 176.000 -0.023 0.000 0.982 91 Q CA 2.209 58.049 55.803 0.062 0.000 0.850 91 Q CB -0.462 28.355 28.738 0.132 0.000 0.901 91 Q HN 0.617 nan 8.270 nan 0.000 0.422 92 I N 0.908 121.435 120.570 -0.073 0.000 2.179 92 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 92 I C 2.225 178.284 176.117 -0.096 0.000 1.088 92 I CA 1.114 62.362 61.300 -0.086 0.000 1.357 92 I CB -0.256 37.682 38.000 -0.103 0.000 1.051 92 I HN 0.095 nan 8.210 nan 0.000 0.409 93 K N 0.354 120.679 120.400 -0.125 0.000 2.063 93 K HA -0.157 4.163 4.320 -0.001 0.000 0.208 93 K C 2.017 178.551 176.600 -0.110 0.000 1.048 93 K CA 1.449 57.671 56.287 -0.108 0.000 0.928 93 K CB -0.540 31.887 32.500 -0.122 0.000 0.713 93 K HN 0.215 nan 8.250 nan 0.000 0.442 94 L N -0.370 120.733 121.223 -0.201 0.000 2.162 94 L HA -0.038 4.302 4.340 -0.001 0.000 0.205 94 L C 1.373 178.022 176.870 -0.368 0.000 1.086 94 L CA 1.776 56.406 54.840 -0.350 0.000 0.778 94 L CB -0.516 41.160 42.059 -0.637 0.000 0.928 94 L HN 0.313 nan 8.230 nan 0.000 0.446 95 H N -3.652 115.400 119.070 -0.030 0.000 3.440 95 H HA 0.196 4.752 4.556 -0.000 0.000 0.259 95 H C 0.282 175.568 175.328 -0.069 0.000 1.120 95 H CA -0.296 55.714 56.048 -0.063 0.000 1.191 95 H CB 0.270 29.967 29.762 -0.108 0.000 1.537 95 H HN 0.057 nan 8.280 nan 0.000 0.547 96 N N 2.174 120.886 118.700 0.020 0.000 2.691 96 N HA -0.111 4.629 4.740 -0.001 0.000 0.277 96 N C -2.788 172.698 175.510 -0.041 0.000 1.029 96 N CA -0.145 52.889 53.050 -0.025 0.000 0.798 96 N CB -0.369 38.104 38.487 -0.024 0.000 0.922 96 N HN 0.206 nan 8.380 nan 0.000 0.562 97 P HA 0.082 nan 4.420 nan 0.000 0.264 97 P C -1.796 175.405 177.300 -0.165 0.000 1.193 97 P CA -1.044 61.995 63.100 -0.102 0.000 0.763 97 P CB 0.483 32.116 31.700 -0.112 0.000 0.810 98 P HA -0.131 nan 4.420 nan 0.000 0.223 98 P C 1.186 178.223 177.300 -0.439 0.000 1.144 98 P CA 1.514 64.508 63.100 -0.178 0.000 0.783 98 P CB -0.006 31.633 31.700 -0.102 0.000 0.771 99 T N -1.275 112.911 114.554 -0.614 0.000 3.107 99 T HA 0.096 4.446 4.350 -0.001 0.000 0.249 99 T C 1.371 175.724 174.700 -0.579 0.000 1.096 99 T CA -0.140 61.312 62.100 -1.081 0.000 1.012 99 T CB -0.790 67.707 68.868 -0.618 0.000 0.977 99 T HN 0.092 nan 8.240 nan 0.000 0.527 100 I N -1.752 118.584 120.570 -0.391 0.000 2.361 100 I HA -0.050 4.120 4.170 -0.001 0.000 0.251 100 I C 1.561 177.486 176.117 -0.320 0.000 1.133 100 I CA 1.601 62.685 61.300 -0.359 0.000 1.413 100 I CB -0.472 37.259 38.000 -0.448 0.000 1.073 100 I HN 0.256 nan 8.210 nan 0.000 0.424 101 H N -1.199 117.870 119.070 -0.002 0.000 2.594 101 H HA 0.339 4.894 4.556 -0.001 0.000 0.279 101 H C -0.204 175.249 175.328 0.207 0.000 1.042 101 H CA -0.505 55.594 56.048 0.085 0.000 1.177 101 H CB 0.121 29.928 29.762 0.074 0.000 1.524 101 H HN 0.274 nan 8.280 nan 0.000 0.537 102 Y N 1.709 122.072 120.300 0.104 0.000 2.550 102 Y HA 0.016 4.566 4.550 -0.001 0.000 0.343 102 Y C -1.785 174.160 175.900 0.075 0.000 1.245 102 Y CA -2.517 55.632 58.100 0.082 0.000 1.462 102 Y CB 0.222 38.725 38.460 0.071 0.000 1.340 102 Y HN 0.071 nan 8.280 nan 0.000 0.604 103 P HA -0.038 nan 4.420 nan 0.000 0.267 103 P C -2.106 175.282 177.300 0.147 0.000 1.200 103 P CA -0.854 62.325 63.100 0.132 0.000 0.772 103 P CB 0.222 31.970 31.700 0.080 0.000 0.855 104 P HA -0.257 nan 4.420 nan 0.000 0.215 104 P C 1.509 178.870 177.300 0.101 0.000 1.163 104 P CA 2.201 65.352 63.100 0.083 0.000 0.894 104 P CB -0.418 31.316 31.700 0.056 0.000 0.791 105 S N -0.987 114.778 115.700 0.108 0.000 2.442 105 S HA -0.183 4.287 4.470 -0.001 0.000 0.236 105 S C 1.459 176.198 174.600 0.233 0.000 1.007 105 S CA 0.922 59.208 58.200 0.143 0.000 0.965 105 S CB -1.093 62.170 63.200 0.105 0.000 0.773 105 S HN 0.312 nan 8.310 nan 0.000 0.504 106 Q N 0.859 120.788 119.800 0.215 0.000 2.201 106 Q HA 0.381 4.721 4.340 -0.001 0.000 0.217 106 Q C 0.718 176.972 176.000 0.423 0.000 0.860 106 Q CA 0.134 56.092 55.803 0.259 0.000 0.984 106 Q CB 0.333 29.128 28.738 0.096 0.000 1.095 106 Q HN 0.719 nan 8.270 nan 0.000 0.477 107 G N 2.193 111.216 108.800 0.371 0.000 2.204 107 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.244 107 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.244 107 G C -0.079 174.909 174.900 0.146 0.000 1.062 107 G CA 0.147 45.389 45.100 0.237 0.000 0.798 107 G HN 0.461 nan 8.290 nan 0.000 0.496 108 Q N -0.389 119.493 119.800 0.137 0.000 2.333 108 Q HA 0.318 4.658 4.340 -0.001 0.000 0.299 108 Q C 1.151 177.130 176.000 -0.034 0.000 1.067 108 Q CA -0.199 55.639 55.803 0.059 0.000 0.943 108 Q CB 0.337 29.125 28.738 0.084 0.000 1.233 108 Q HN 0.518 nan 8.270 nan 0.000 0.401 109 M N 3.959 123.502 119.600 -0.094 0.000 2.327 109 M HA -0.052 4.428 4.480 -0.001 0.000 0.353 109 M C -0.888 175.375 176.300 -0.062 0.000 1.539 109 M CA 0.764 56.008 55.300 -0.094 0.000 1.039 109 M CB 0.172 32.700 32.600 -0.120 0.000 1.967 109 M HN 0.683 nan 8.290 nan 0.000 0.459 110 D N 4.425 124.792 120.400 -0.055 0.000 2.423 110 D HA 0.702 5.342 4.640 -0.001 0.000 0.235 110 D C -1.794 174.491 176.300 -0.025 0.000 1.011 110 D CA -0.427 53.550 54.000 -0.037 0.000 0.963 110 D CB 1.961 42.738 40.800 -0.038 0.000 1.349 110 D HN 0.692 nan 8.370 nan 0.000 0.508 111 L N 1.488 122.708 121.223 -0.006 0.000 2.482 111 L HA 0.580 4.920 4.340 -0.001 0.000 0.263 111 L C -1.378 175.508 176.870 0.027 0.000 0.957 111 L CA -0.504 54.350 54.840 0.024 0.000 0.836 111 L CB 1.307 43.392 42.059 0.045 0.000 1.324 111 L HN 0.732 nan 8.230 nan 0.000 0.406 112 C N 2.258 121.584 119.300 0.043 0.000 2.563 112 C HA 0.781 5.241 4.460 -0.001 0.000 0.314 112 C C 0.063 175.103 174.990 0.082 0.000 1.199 112 C CA -0.985 58.059 59.018 0.044 0.000 1.564 112 C CB 0.806 28.560 27.740 0.024 0.000 2.173 112 C HN 0.538 nan 8.230 nan 0.000 0.485 113 V N 3.632 123.591 119.914 0.075 0.000 2.572 113 V HA 0.484 4.603 4.120 -0.001 0.000 0.291 113 V C 1.069 177.211 176.094 0.079 0.000 1.039 113 V CA 0.752 63.111 62.300 0.098 0.000 1.055 113 V CB 0.963 32.833 31.823 0.079 0.000 0.969 113 V HN 1.147 nan 8.190 nan 0.000 0.482 114 T N 0.924 115.524 114.554 0.076 0.000 2.942 114 T HA 0.383 4.733 4.350 -0.001 0.000 0.289 114 T C 0.095 174.821 174.700 0.045 0.000 1.044 114 T CA -0.738 61.384 62.100 0.037 0.000 1.023 114 T CB 1.573 70.437 68.868 -0.007 0.000 1.123 114 T HN 0.423 nan 8.240 nan 0.000 0.512 115 S N 1.699 117.414 115.700 0.024 0.000 3.900 115 S HA 0.527 4.997 4.470 -0.001 0.000 0.248 115 S C 0.930 175.543 174.600 0.023 0.000 1.310 115 S CA 0.135 58.351 58.200 0.027 0.000 0.915 115 S CB -1.284 61.920 63.200 0.006 0.000 1.588 115 S HN 1.471 nan 8.310 nan 0.000 0.472 116 G N 1.839 110.661 108.800 0.037 0.000 2.716 116 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.686 116 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.686 116 G C 0.683 175.572 174.900 -0.018 0.000 1.337 116 G CA -0.356 44.757 45.100 0.022 0.000 0.829 116 G HN 0.807 nan 8.290 nan 0.000 0.599 117 S N -0.030 115.638 115.700 -0.053 0.000 2.402 117 S HA -0.175 4.294 4.470 -0.001 0.000 0.229 117 S C 2.098 176.650 174.600 -0.080 0.000 1.021 117 S CA 1.918 60.054 58.200 -0.107 0.000 0.974 117 S CB -0.121 62.977 63.200 -0.170 0.000 0.800 117 S HN 1.258 nan 8.310 nan 0.000 0.484 118 Q N 1.349 121.134 119.800 -0.026 0.000 2.170 118 Q HA -0.119 4.221 4.340 -0.001 0.000 0.203 118 Q C 2.306 178.283 176.000 -0.037 0.000 0.976 118 Q CA 1.689 57.500 55.803 0.012 0.000 0.858 118 Q CB -0.471 28.318 28.738 0.086 0.000 0.907 118 Q HN 0.791 nan 8.270 nan 0.000 0.433 119 Q N -0.862 118.911 119.800 -0.044 0.000 2.061 119 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 119 Q C 1.910 177.840 176.000 -0.116 0.000 0.984 119 Q CA 1.657 57.417 55.803 -0.071 0.000 0.846 119 Q CB -0.552 28.153 28.738 -0.055 0.000 0.902 119 Q HN 0.587 nan 8.270 nan 0.000 0.421 120 G N 0.925 109.653 108.800 -0.120 0.000 2.440 120 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 120 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 120 G C 1.398 176.150 174.900 -0.247 0.000 1.154 120 G CA 1.002 46.009 45.100 -0.155 0.000 0.767 120 G HN 0.311 nan 8.290 nan 0.000 0.552 121 L N -0.284 120.761 121.223 -0.296 0.000 2.027 121 L HA -0.065 4.274 4.340 -0.001 0.000 0.206 121 L C 3.006 179.419 176.870 -0.761 0.000 1.074 121 L CA 0.913 55.405 54.840 -0.581 0.000 0.745 121 L CB -0.806 40.984 42.059 -0.449 0.000 0.898 121 L HN 0.361 nan 8.230 nan 0.000 0.433 122 C N 0.577 119.672 119.300 -0.341 0.000 2.413 122 C HA -0.199 4.260 4.460 -0.001 0.000 0.276 122 C C 2.918 177.842 174.990 -0.111 0.000 1.236 122 C CA 1.210 60.150 59.018 -0.130 0.000 1.735 122 C CB -0.473 27.246 27.740 -0.035 0.000 2.031 122 C HN 0.375 nan 8.230 nan 0.000 0.474 123 K N 0.476 120.782 120.400 -0.157 0.000 2.057 123 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 123 K C 1.877 178.448 176.600 -0.049 0.000 1.049 123 K CA 1.428 57.656 56.287 -0.097 0.000 0.931 123 K CB -0.750 31.669 32.500 -0.134 0.000 0.714 123 K HN 0.466 nan 8.250 nan 0.000 0.440 124 V N 0.564 120.369 119.914 -0.183 0.000 2.255 124 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 124 V C 1.965 178.021 176.094 -0.062 0.000 1.051 124 V CA 1.900 64.084 62.300 -0.193 0.000 1.018 124 V CB -0.545 31.074 31.823 -0.340 0.000 0.641 124 V HN 0.233 nan 8.190 nan 0.000 0.445 125 F N 0.250 120.166 119.950 -0.056 0.000 2.095 125 F HA -0.232 4.294 4.527 -0.000 0.000 0.298 125 F C 2.585 178.428 175.800 0.071 0.000 1.104 125 F CA 1.677 59.679 58.000 0.004 0.000 1.232 125 F CB -0.368 38.635 39.000 0.005 0.000 0.987 125 F HN 0.184 nan 8.300 nan 0.000 0.475 126 E N 0.191 120.540 120.200 0.249 0.000 2.118 126 E HA -0.288 4.062 4.350 -0.001 0.000 0.195 126 E C 2.101 178.803 176.600 0.169 0.000 0.992 126 E CA 1.405 57.924 56.400 0.199 0.000 0.804 126 E CB -0.256 29.578 29.700 0.224 0.000 0.741 126 E HN 0.430 nan 8.360 nan 0.000 0.458 127 M N 0.263 119.956 119.600 0.155 0.000 2.213 127 M HA -0.166 4.314 4.480 -0.001 0.000 0.263 127 M C 1.704 178.097 176.300 0.154 0.000 1.062 127 M CA 1.584 56.963 55.300 0.130 0.000 1.105 127 M CB 0.132 32.792 32.600 0.100 0.000 1.385 127 M HN 0.105 nan 8.290 nan 0.000 0.417 128 I N -0.729 119.963 120.570 0.204 0.000 2.810 128 I HA 0.059 4.229 4.170 -0.001 0.000 0.262 128 I C 0.444 176.695 176.117 0.224 0.000 1.131 128 I CA 0.116 61.575 61.300 0.264 0.000 1.453 128 I CB 0.390 38.623 38.000 0.388 0.000 1.161 128 I HN 0.057 nan 8.210 nan 0.000 0.444 129 I N 2.522 123.218 120.570 0.210 0.000 2.312 129 I HA 0.126 4.295 4.170 -0.001 0.000 0.291 129 I C -0.437 175.729 176.117 0.082 0.000 1.031 129 I CA -0.218 61.174 61.300 0.153 0.000 1.293 129 I CB 0.283 38.379 38.000 0.160 0.000 1.403 129 I HN 0.153 nan 8.210 nan 0.000 0.484 130 N N 8.105 126.835 118.700 0.050 0.000 2.487 130 N HA 0.409 5.148 4.740 -0.001 0.000 0.292 130 N C -2.452 173.059 175.510 0.002 0.000 1.108 130 N CA -1.552 51.511 53.050 0.021 0.000 0.956 130 N CB 1.216 39.710 38.487 0.012 0.000 1.176 130 N HN 0.184 nan 8.380 nan 0.000 0.484 131 P HA 0.086 nan 4.420 nan 0.000 0.269 131 P C 0.861 178.148 177.300 -0.021 0.000 1.217 131 P CA 0.399 63.486 63.100 -0.022 0.000 0.783 131 P CB 0.425 32.110 31.700 -0.025 0.000 0.898 132 G N 0.089 108.873 108.800 -0.027 0.000 2.257 132 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.267 132 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.267 132 G C 0.086 174.973 174.900 -0.023 0.000 0.984 132 G CA 0.130 45.218 45.100 -0.020 0.000 0.626 132 G HN 0.534 nan 8.290 nan 0.000 0.540 133 D N 1.118 121.497 120.400 -0.035 0.000 2.423 133 D HA 0.273 4.913 4.640 -0.001 0.000 0.238 133 D C 0.474 176.718 176.300 -0.093 0.000 1.142 133 D CA 0.113 54.080 54.000 -0.055 0.000 0.884 133 D CB 0.336 41.106 40.800 -0.050 0.000 1.199 133 D HN 0.206 nan 8.370 nan 0.000 0.438 134 N N 0.586 119.218 118.700 -0.114 0.000 2.426 134 N HA 0.323 5.062 4.740 -0.001 0.000 0.275 134 N C -0.522 174.803 175.510 -0.307 0.000 1.019 134 N CA -0.439 52.528 53.050 -0.138 0.000 0.941 134 N CB 1.658 40.121 38.487 -0.041 0.000 1.123 134 N HN 0.175 nan 8.380 nan 0.000 0.486 135 V N 0.169 119.859 119.914 -0.374 0.000 2.823 135 V HA 0.661 4.780 4.120 -0.001 0.000 0.312 135 V C -0.544 175.308 176.094 -0.404 0.000 1.072 135 V CA -0.966 60.952 62.300 -0.638 0.000 0.937 135 V CB 1.808 33.011 31.823 -1.035 0.000 1.013 135 V HN 0.372 nan 8.190 nan 0.000 0.430 136 L N 5.217 126.196 121.223 -0.407 0.000 2.317 136 L HA 0.828 5.167 4.340 -0.001 0.000 0.281 136 L C -0.388 176.439 176.870 -0.071 0.000 1.024 136 L CA -0.615 54.086 54.840 -0.230 0.000 0.810 136 L CB 1.620 43.475 42.059 -0.340 0.000 1.240 136 L HN 0.878 nan 8.230 nan 0.000 0.427 137 L N 0.556 121.777 121.223 -0.004 0.000 2.869 137 L HA 0.530 4.870 4.340 -0.001 0.000 0.265 137 L C -2.072 174.842 176.870 0.074 0.000 1.011 137 L CA -0.910 53.992 54.840 0.104 0.000 0.913 137 L CB 2.477 44.674 42.059 0.231 0.000 1.490 137 L HN 0.613 nan 8.230 nan 0.000 0.410 138 D N 0.524 120.981 120.400 0.095 0.000 2.274 138 D HA 0.314 4.954 4.640 -0.001 0.000 0.239 138 D C -0.745 175.574 176.300 0.031 0.000 1.104 138 D CA -0.240 53.794 54.000 0.057 0.000 0.840 138 D CB 2.001 42.830 40.800 0.048 0.000 1.100 138 D HN 0.621 nan 8.370 nan 0.000 0.477 139 E N 2.388 122.597 120.200 0.015 0.000 2.266 139 E HA 0.312 4.662 4.350 -0.001 0.000 0.277 139 E C -2.206 174.339 176.600 -0.091 0.000 1.018 139 E CA -1.895 54.464 56.400 -0.069 0.000 0.840 139 E CB 1.138 30.851 29.700 0.021 0.000 1.082 139 E HN 0.342 nan 8.360 nan 0.000 0.395 140 P HA 0.131 nan 4.420 nan 0.000 0.271 140 P C -1.361 175.736 177.300 -0.338 0.000 1.216 140 P CA -0.138 62.587 63.100 -0.624 0.000 0.776 140 P CB 0.945 32.106 31.700 -0.899 0.000 0.881 141 A N 2.811 125.514 122.820 -0.195 0.000 2.454 141 A HA 0.428 4.748 4.320 -0.001 0.000 0.302 141 A C -1.175 176.524 177.584 0.192 0.000 1.079 141 A CA -0.929 51.124 52.037 0.026 0.000 0.731 141 A CB 0.634 19.673 19.000 0.065 0.000 1.299 141 A HN 0.583 nan 8.150 nan 0.000 0.413 142 Y N 2.179 122.569 120.300 0.151 0.000 2.865 142 Y HA -0.006 4.543 4.550 -0.000 0.000 0.338 142 Y C 1.650 177.617 175.900 0.110 0.000 1.269 142 Y CA 0.751 58.974 58.100 0.205 0.000 1.585 142 Y CB 0.715 39.313 38.460 0.229 0.000 1.224 142 Y HN 0.852 nan 8.280 nan 0.000 0.554 143 S N 3.012 118.582 115.700 -0.217 0.000 2.399 143 S HA -0.177 4.293 4.470 -0.001 0.000 0.231 143 S C 2.025 176.257 174.600 -0.614 0.000 1.022 143 S CA 0.874 58.804 58.200 -0.450 0.000 0.983 143 S CB -0.798 62.084 63.200 -0.530 0.000 0.803 143 S HN 0.953 nan 8.310 nan 0.000 0.480 144 G N 1.108 109.174 108.800 -1.223 0.000 2.418 144 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 144 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 144 G C 1.479 176.081 174.900 -0.496 0.000 1.158 144 G CA 1.398 45.952 45.100 -0.911 0.000 0.771 144 G HN 0.555 nan 8.290 nan 0.000 0.545 145 T N 0.562 114.828 114.554 -0.481 0.000 2.708 145 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 145 T C 2.488 177.023 174.700 -0.274 0.000 1.037 145 T CA 1.277 63.255 62.100 -0.203 0.000 1.146 145 T CB -0.245 68.454 68.868 -0.281 0.000 0.865 145 T HN 0.207 nan 8.240 nan 0.000 0.435 146 L N 0.421 121.485 121.223 -0.266 0.000 2.093 146 L HA -0.034 4.306 4.340 -0.001 0.000 0.208 146 L C 3.075 179.852 176.870 -0.154 0.000 1.085 146 L CA 1.016 55.733 54.840 -0.205 0.000 0.755 146 L CB -0.506 41.445 42.059 -0.179 0.000 0.904 146 L HN 0.251 nan 8.230 nan 0.000 0.435 147 Q N -0.842 118.854 119.800 -0.172 0.000 2.245 147 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 147 Q C 2.427 178.403 176.000 -0.040 0.000 0.955 147 Q CA 1.310 57.050 55.803 -0.105 0.000 0.870 147 Q CB -0.028 28.629 28.738 -0.135 0.000 0.945 147 Q HN 0.382 nan 8.270 nan 0.000 0.461 148 S N 0.225 115.890 115.700 -0.059 0.000 2.377 148 S HA 0.016 4.485 4.470 -0.001 0.000 0.223 148 S C 1.945 176.526 174.600 -0.032 0.000 1.030 148 S CA 0.350 58.557 58.200 0.011 0.000 0.970 148 S CB 0.042 63.317 63.200 0.126 0.000 0.830 148 S HN 0.280 nan 8.310 nan 0.000 0.473 149 L N 0.989 122.116 121.223 -0.161 0.000 2.156 149 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 149 L C 2.644 179.463 176.870 -0.084 0.000 1.095 149 L CA 1.370 56.081 54.840 -0.215 0.000 0.770 149 L CB -0.797 41.047 42.059 -0.359 0.000 0.914 149 L HN 0.526 nan 8.230 nan 0.000 0.439 150 H N 1.805 120.802 119.070 -0.123 0.000 2.265 150 H HA -0.140 4.416 4.556 -0.000 0.000 0.295 150 H C -0.589 174.705 175.328 -0.056 0.000 1.084 150 H CA 2.051 58.048 56.048 -0.085 0.000 1.261 150 H CB -0.898 28.817 29.762 -0.077 0.000 1.360 150 H HN 0.176 nan 8.280 nan 0.000 0.487 151 P HA -0.071 nan 4.420 nan 0.000 0.230 151 P C 1.399 178.614 177.300 -0.142 0.000 1.158 151 P CA 0.434 63.400 63.100 -0.222 0.000 0.769 151 P CB -0.091 31.568 31.700 -0.068 0.000 0.807 152 L N -0.590 120.576 121.223 -0.096 0.000 2.478 152 L HA 0.197 4.536 4.340 -0.001 0.000 0.223 152 L C 1.877 178.704 176.870 -0.072 0.000 1.140 152 L CA 1.160 55.968 54.840 -0.053 0.000 0.842 152 L CB -1.759 40.291 42.059 -0.015 0.000 0.953 152 L HN 0.155 nan 8.230 nan 0.000 0.452 153 G N -0.791 107.937 108.800 -0.120 0.000 2.203 153 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.263 153 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.263 153 G C 0.667 175.523 174.900 -0.074 0.000 1.012 153 G CA 0.402 45.440 45.100 -0.102 0.000 0.749 153 G HN 0.517 nan 8.290 nan 0.000 0.512 154 C N -0.611 118.640 119.300 -0.080 0.000 2.656 154 C HA 0.645 5.104 4.460 -0.001 0.000 0.391 154 C C 0.606 175.548 174.990 -0.080 0.000 1.300 154 C CA -1.727 57.238 59.018 -0.088 0.000 2.302 154 C CB 0.616 28.279 27.740 -0.129 0.000 2.655 154 C HN 0.452 nan 8.230 nan 0.000 0.656 155 N N 1.383 120.038 118.700 -0.075 0.000 2.414 155 N HA 0.403 5.143 4.740 -0.001 0.000 0.256 155 N C -0.645 174.814 175.510 -0.085 0.000 1.029 155 N CA 0.011 53.028 53.050 -0.056 0.000 0.948 155 N CB 0.903 39.374 38.487 -0.027 0.000 1.102 155 N HN 0.652 nan 8.380 nan 0.000 0.496 156 I N 3.049 123.575 120.570 -0.074 0.000 2.352 156 I HA 0.230 4.400 4.170 -0.001 0.000 0.290 156 I C 0.449 176.533 176.117 -0.054 0.000 1.036 156 I CA -0.271 60.975 61.300 -0.090 0.000 1.336 156 I CB 0.720 38.673 38.000 -0.079 0.000 1.407 156 I HN 0.260 nan 8.210 nan 0.000 0.497 157 I N 6.413 126.944 120.570 -0.064 0.000 2.306 157 I HA 0.148 4.318 4.170 -0.001 0.000 0.288 157 I C 0.159 176.263 176.117 -0.021 0.000 1.036 157 I CA -0.527 60.756 61.300 -0.029 0.000 1.221 157 I CB 0.813 38.808 38.000 -0.008 0.000 1.385 157 I HN 0.549 nan 8.210 nan 0.000 0.472 158 N N 6.114 124.817 118.700 0.005 0.000 2.468 158 N HA 0.139 4.878 4.740 -0.001 0.000 0.265 158 N C -0.888 174.637 175.510 0.025 0.000 1.199 158 N CA 0.059 53.125 53.050 0.025 0.000 0.928 158 N CB 0.893 39.414 38.487 0.056 0.000 1.059 158 N HN 0.252 nan 8.380 nan 0.000 0.467 159 V N 2.311 122.242 119.914 0.028 0.000 2.532 159 V HA 0.646 4.765 4.120 -0.001 0.000 0.295 159 V C 0.539 176.663 176.094 0.050 0.000 1.041 159 V CA -1.135 61.184 62.300 0.031 0.000 0.926 159 V CB 1.097 32.933 31.823 0.023 0.000 0.992 159 V HN 0.879 nan 8.190 nan 0.000 0.457 160 A N 3.806 126.658 122.820 0.054 0.000 2.407 160 A HA 0.697 5.017 4.320 -0.001 0.000 0.248 160 A C 0.413 178.036 177.584 0.065 0.000 1.082 160 A CA 0.100 52.176 52.037 0.066 0.000 0.785 160 A CB 0.300 19.338 19.000 0.065 0.000 1.020 160 A HN 1.215 nan 8.150 nan 0.000 0.489 161 S N 0.835 116.578 115.700 0.071 0.000 2.595 161 S HA 0.818 5.287 4.470 -0.001 0.000 0.281 161 S C -0.994 173.647 174.600 0.069 0.000 1.117 161 S CA -0.208 58.028 58.200 0.060 0.000 0.873 161 S CB 2.073 65.298 63.200 0.043 0.000 1.108 161 S HN 0.938 nan 8.310 nan 0.000 0.477 162 D N 0.208 120.635 120.400 0.045 0.000 3.158 162 D HA 0.323 4.963 4.640 -0.001 0.000 0.314 162 D C 0.417 176.689 176.300 -0.046 0.000 1.308 162 D CA -0.619 53.402 54.000 0.036 0.000 1.001 162 D CB -0.509 40.312 40.800 0.034 0.000 1.389 162 D HN 0.394 nan 8.370 nan 0.000 0.595 163 E N -0.462 119.624 120.200 -0.189 0.000 2.273 163 E HA -0.032 4.318 4.350 -0.001 0.000 0.198 163 E C 0.733 177.252 176.600 -0.135 0.000 1.002 163 E CA 1.518 57.709 56.400 -0.349 0.000 0.828 163 E CB -0.187 29.212 29.700 -0.502 0.000 0.747 163 E HN 0.267 nan 8.360 nan 0.000 0.491 164 S N -0.423 115.236 115.700 -0.068 0.000 2.601 164 S HA 0.465 4.934 4.470 -0.001 0.000 0.244 164 S C 0.442 175.041 174.600 -0.001 0.000 1.001 164 S CA 0.019 58.203 58.200 -0.026 0.000 0.984 164 S CB 0.660 63.850 63.200 -0.016 0.000 0.842 164 S HN 0.495 nan 8.310 nan 0.000 0.474 165 G N 2.407 111.207 108.800 0.001 0.000 2.545 165 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 165 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 165 G C -0.232 174.693 174.900 0.041 0.000 1.314 165 G CA -0.492 44.621 45.100 0.021 0.000 0.906 165 G HN 0.809 nan 8.290 nan 0.000 0.563 166 I N -0.672 119.937 120.570 0.065 0.000 2.815 166 I HA 0.455 4.625 4.170 -0.001 0.000 0.291 166 I C 0.629 176.792 176.117 0.077 0.000 1.209 166 I CA -0.351 60.994 61.300 0.076 0.000 1.431 166 I CB 0.728 38.786 38.000 0.095 0.000 1.351 166 I HN 0.670 nan 8.210 nan 0.000 0.585 167 V N 8.156 128.112 119.914 0.070 0.000 2.348 167 V HA 0.253 4.373 4.120 -0.001 0.000 0.270 167 V C -1.419 174.721 176.094 0.078 0.000 1.037 167 V CA -0.985 61.356 62.300 0.067 0.000 0.872 167 V CB 0.692 32.551 31.823 0.059 0.000 1.002 167 V HN 0.773 nan 8.190 nan 0.000 0.464 168 P HA -0.068 nan 4.420 nan 0.000 0.220 168 P C 0.922 178.277 177.300 0.091 0.000 1.148 168 P CA 0.895 64.058 63.100 0.104 0.000 0.803 168 P CB 0.324 32.091 31.700 0.112 0.000 0.782 169 D N -1.294 119.151 120.400 0.075 0.000 2.178 169 D HA -0.099 4.540 4.640 -0.001 0.000 0.202 169 D C 2.084 178.419 176.300 0.058 0.000 0.974 169 D CA 1.100 55.140 54.000 0.066 0.000 0.841 169 D CB -0.651 40.183 40.800 0.056 0.000 0.953 169 D HN 0.079 nan 8.370 nan 0.000 0.478 170 S N 0.037 115.771 115.700 0.056 0.000 2.356 170 S HA -0.129 4.341 4.470 -0.001 0.000 0.223 170 S C 1.874 176.499 174.600 0.043 0.000 1.032 170 S CA 0.472 58.700 58.200 0.047 0.000 1.005 170 S CB -0.285 62.945 63.200 0.049 0.000 0.867 170 S HN 0.103 nan 8.310 nan 0.000 0.449 171 L N 2.333 123.589 121.223 0.056 0.000 1.971 171 L HA -0.064 4.276 4.340 -0.001 0.000 0.215 171 L C 2.483 179.382 176.870 0.049 0.000 1.072 171 L CA 2.296 57.169 54.840 0.055 0.000 0.758 171 L CB -1.153 40.965 42.059 0.098 0.000 0.889 171 L HN 0.332 nan 8.230 nan 0.000 0.433 172 R N -0.526 120.020 120.500 0.076 0.000 2.133 172 R HA -0.234 4.106 4.340 -0.001 0.000 0.245 172 R C 1.984 178.312 176.300 0.047 0.000 1.137 172 R CA 2.373 58.522 56.100 0.082 0.000 0.947 172 R CB -0.452 29.908 30.300 0.100 0.000 0.865 172 R HN 0.537 nan 8.270 nan 0.000 0.437 173 D N -0.286 120.136 120.400 0.037 0.000 2.224 173 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 173 D C 1.939 178.231 176.300 -0.013 0.000 0.965 173 D CA 1.010 55.021 54.000 0.018 0.000 0.852 173 D CB 0.005 40.817 40.800 0.020 0.000 0.947 173 D HN 0.367 nan 8.370 nan 0.000 0.494 174 I N 0.731 121.295 120.570 -0.010 0.000 2.252 174 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 174 I C 2.275 178.381 176.117 -0.018 0.000 1.102 174 I CA 0.814 62.100 61.300 -0.023 0.000 1.385 174 I CB -0.034 37.971 38.000 0.008 0.000 1.064 174 I HN -0.073 nan 8.210 nan 0.000 0.414 175 L N 0.197 121.401 121.223 -0.032 0.000 2.395 175 L HA -0.081 4.259 4.340 -0.001 0.000 0.218 175 L C 2.456 179.287 176.870 -0.065 0.000 1.130 175 L CA 0.802 55.560 54.840 -0.136 0.000 0.826 175 L CB -0.442 41.158 42.059 -0.766 0.000 0.941 175 L HN 0.315 nan 8.230 nan 0.000 0.451 176 S N -0.756 114.952 115.700 0.012 0.000 2.555 176 S HA -0.144 4.326 4.470 -0.001 0.000 0.230 176 S C 1.964 176.557 174.600 -0.012 0.000 0.978 176 S CA 0.132 58.390 58.200 0.097 0.000 0.934 176 S CB -0.401 62.846 63.200 0.078 0.000 0.766 176 S HN 0.375 nan 8.310 nan 0.000 0.533 177 R N 0.020 120.396 120.500 -0.207 0.000 2.261 177 R HA -0.033 4.307 4.340 -0.001 0.000 0.236 177 R C -0.258 175.693 176.300 -0.582 0.000 1.141 177 R CA 0.934 56.715 56.100 -0.531 0.000 1.001 177 R CB 0.052 29.742 30.300 -1.016 0.000 0.866 177 R HN 0.548 nan 8.270 nan 0.000 0.468 178 W N 0.135 121.483 121.300 0.080 0.000 3.017 178 W HA 0.301 4.960 4.660 -0.001 0.000 0.341 178 W C -0.224 176.453 176.519 0.263 0.000 1.180 178 W CA -0.943 56.494 57.345 0.153 0.000 1.097 178 W CB 0.675 30.248 29.460 0.189 0.000 1.468 178 W HN -0.248 nan 8.180 nan 0.000 0.584 179 K N 0.558 121.224 120.400 0.444 0.000 2.280 179 K HA 0.505 4.825 4.320 -0.001 0.000 0.234 179 K C -2.120 174.590 176.600 0.184 0.000 1.028 179 K CA -1.343 55.120 56.287 0.294 0.000 0.882 179 K CB 2.094 34.676 32.500 0.136 0.000 1.194 179 K HN -0.176 nan 8.250 nan 0.000 0.458 180 P HA -0.218 nan 4.420 nan 0.000 0.216 180 P C 0.439 177.715 177.300 -0.039 0.000 1.167 180 P CA 1.858 64.825 63.100 -0.222 0.000 0.914 180 P CB 0.105 31.656 31.700 -0.248 0.000 0.793 181 E N -1.503 118.690 120.200 -0.012 0.000 2.112 181 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 181 E C 1.389 177.995 176.600 0.010 0.000 0.979 181 E CA 0.765 57.157 56.400 -0.014 0.000 0.814 181 E CB -0.679 29.016 29.700 -0.008 0.000 0.762 181 E HN 0.166 nan 8.360 nan 0.000 0.460 182 D N 0.345 120.776 120.400 0.053 0.000 7.291 182 D HA -0.382 4.258 4.640 -0.001 0.000 0.243 182 D C 1.466 177.775 176.300 0.015 0.000 2.099 182 D CA 2.596 56.647 54.000 0.085 0.000 0.480 182 D CB -0.735 40.182 40.800 0.194 0.000 0.332 182 D HN 0.361 nan 8.370 nan 0.000 1.131 183 A N -0.663 122.150 122.820 -0.012 0.000 1.909 183 A HA 0.089 4.409 4.320 -0.001 0.000 0.209 183 A C 1.757 179.304 177.584 -0.061 0.000 1.247 183 A CA 0.950 52.959 52.037 -0.045 0.000 0.660 183 A CB -0.072 18.915 19.000 -0.022 0.000 0.910 183 A HN 0.081 nan 8.150 nan 0.000 0.465 184 K N 0.984 121.354 120.400 -0.051 0.000 2.587 184 K HA -0.115 4.205 4.320 -0.001 0.000 0.196 184 K C 0.287 176.859 176.600 -0.047 0.000 1.046 184 K CA 0.931 57.186 56.287 -0.053 0.000 0.930 184 K CB -0.631 31.843 32.500 -0.043 0.000 0.771 184 K HN 0.600 nan 8.250 nan 0.000 0.492 185 N N 0.198 118.873 118.700 -0.041 0.000 2.577 185 N HA 0.170 4.910 4.740 -0.001 0.000 0.275 185 N C -2.809 172.683 175.510 -0.030 0.000 1.091 185 N CA -1.898 51.137 53.050 -0.025 0.000 0.843 185 N CB 1.335 39.822 38.487 -0.000 0.000 1.295 185 N HN -0.238 nan 8.380 nan 0.000 0.530 186 P HA -0.106 nan 4.420 nan 0.000 0.278 186 P C 0.363 177.650 177.300 -0.021 0.000 1.270 186 P CA 0.582 63.652 63.100 -0.050 0.000 0.800 186 P CB 0.403 32.074 31.700 -0.050 0.000 1.142 187 Q N -1.428 118.361 119.800 -0.019 0.000 2.152 187 Q HA -0.372 3.968 4.340 -0.001 0.000 0.151 187 Q C 0.976 176.999 176.000 0.039 0.000 0.711 187 Q CA 2.365 58.171 55.803 0.006 0.000 1.423 187 Q CB -2.190 26.549 28.738 0.001 0.000 1.466 187 Q HN 0.440 nan 8.270 nan 0.000 0.901 188 K N 1.193 121.628 120.400 0.059 0.000 2.059 188 K HA -0.137 4.183 4.320 -0.001 0.000 0.212 188 K C 0.309 177.008 176.600 0.165 0.000 1.050 188 K CA 1.633 57.999 56.287 0.131 0.000 0.927 188 K CB -0.269 32.326 32.500 0.159 0.000 0.714 188 K HN 0.613 nan 8.250 nan 0.000 0.447 189 N N 0.729 119.465 118.700 0.061 0.000 2.929 189 N HA -0.116 4.624 4.740 -0.001 0.000 0.246 189 N C -0.575 174.854 175.510 -0.135 0.000 1.111 189 N CA 1.078 54.138 53.050 0.016 0.000 0.679 189 N CB -2.170 36.370 38.487 0.089 0.000 1.008 189 N HN 0.464 nan 8.380 nan 0.000 0.559 190 T N -1.614 112.696 114.554 -0.407 0.000 2.932 190 T HA 0.343 4.692 4.350 -0.001 0.000 0.312 190 T C -2.274 172.069 174.700 -0.595 0.000 1.071 190 T CA -0.870 60.655 62.100 -0.959 0.000 1.128 190 T CB 0.860 69.340 68.868 -0.647 0.000 0.984 190 T HN -0.046 nan 8.240 nan 0.000 0.549 191 P HA 0.235 nan 4.420 nan 0.000 0.265 191 P C 0.405 177.608 177.300 -0.161 0.000 1.193 191 P CA -0.444 62.394 63.100 -0.437 0.000 0.765 191 P CB 0.541 31.906 31.700 -0.558 0.000 0.823 192 K N 2.637 122.975 120.400 -0.104 0.000 2.057 192 K HA 0.082 4.402 4.320 -0.001 0.000 0.206 192 K C 0.597 177.408 176.600 0.351 0.000 1.050 192 K CA 1.307 57.723 56.287 0.216 0.000 0.935 192 K CB -0.297 32.341 32.500 0.229 0.000 0.715 192 K HN 0.663 nan 8.250 nan 0.000 0.439 193 F N -2.699 117.274 119.950 0.040 0.000 2.713 193 F HA 0.485 5.012 4.527 -0.000 0.000 0.311 193 F C -1.660 174.025 175.800 -0.191 0.000 1.141 193 F CA -1.918 56.085 58.000 0.006 0.000 0.939 193 F CB 0.832 39.879 39.000 0.079 0.000 1.325 193 F HN -0.273 nan 8.300 nan 0.000 0.453 194 L N 3.339 124.652 121.223 0.150 0.000 2.305 194 L HA 0.552 4.891 4.340 -0.001 0.000 0.284 194 L C -1.681 175.388 176.870 0.331 0.000 1.013 194 L CA -0.842 54.027 54.840 0.048 0.000 0.819 194 L CB 1.339 43.300 42.059 -0.165 0.000 1.227 194 L HN 0.756 nan 8.230 nan 0.000 0.417 195 Y N 4.147 124.614 120.300 0.279 0.000 2.360 195 Y HA 0.720 5.269 4.550 -0.000 0.000 0.337 195 Y C -0.571 175.401 175.900 0.120 0.000 1.039 195 Y CA -0.126 58.105 58.100 0.217 0.000 1.109 195 Y CB 1.610 40.280 38.460 0.349 0.000 1.201 195 Y HN 0.777 nan 8.280 nan 0.000 0.458 196 T N 5.017 119.246 114.554 -0.541 0.000 2.932 196 T HA 0.387 4.737 4.350 -0.001 0.000 0.318 196 T C -1.925 172.486 174.700 -0.482 0.000 1.265 196 T CA -0.642 61.224 62.100 -0.390 0.000 1.036 196 T CB 0.993 69.829 68.868 -0.053 0.000 1.209 196 T HN 0.464 nan 8.240 nan 0.000 0.484 197 V N 6.940 126.700 119.914 -0.257 0.000 2.339 197 V HA 0.297 4.417 4.120 -0.001 0.000 0.261 197 V C -1.235 174.853 176.094 -0.011 0.000 1.058 197 V CA -1.246 60.991 62.300 -0.105 0.000 0.897 197 V CB 0.989 32.818 31.823 0.010 0.000 1.052 197 V HN 0.720 nan 8.190 nan 0.000 0.480 198 P HA 0.001 nan 4.420 nan 0.000 0.227 198 P C 0.200 177.512 177.300 0.019 0.000 1.161 198 P CA 0.638 63.769 63.100 0.052 0.000 0.788 198 P CB 0.560 32.308 31.700 0.080 0.000 0.822 199 N N 0.168 118.886 118.700 0.030 0.000 2.354 199 N HA 0.297 5.037 4.740 -0.001 0.000 0.287 199 N C 0.297 175.818 175.510 0.018 0.000 1.016 199 N CA -0.162 52.894 53.050 0.010 0.000 0.871 199 N CB 1.406 39.897 38.487 0.006 0.000 1.299 199 N HN -0.032 nan 8.380 nan 0.000 0.482 200 G N 2.203 110.971 108.800 -0.052 0.000 2.372 200 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.290 200 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.290 200 G C 0.309 175.115 174.900 -0.157 0.000 0.965 200 G CA 0.142 45.165 45.100 -0.128 0.000 1.263 200 G HN 0.806 nan 8.290 nan 0.000 0.498 201 N N -0.007 118.646 118.700 -0.079 0.000 2.356 201 N HA -0.034 4.706 4.740 -0.001 0.000 0.252 201 N C 0.112 175.526 175.510 -0.160 0.000 1.241 201 N CA 0.009 53.013 53.050 -0.078 0.000 0.861 201 N CB 0.233 38.663 38.487 -0.095 0.000 1.075 201 N HN 0.363 nan 8.380 nan 0.000 0.461 202 N N 3.940 122.581 118.700 -0.097 0.000 2.420 202 N HA 0.236 4.976 4.740 -0.001 0.000 0.249 202 N C -2.025 173.241 175.510 -0.407 0.000 1.033 202 N CA -2.151 50.768 53.050 -0.219 0.000 0.944 202 N CB 1.250 39.749 38.487 0.020 0.000 1.113 202 N HN 0.441 nan 8.380 nan 0.000 0.502 203 P HA 0.114 nan 4.420 nan 0.000 0.275 203 P C 0.674 177.493 177.300 -0.803 0.000 1.310 203 P CA 0.335 62.725 63.100 -1.183 0.000 0.904 203 P CB 0.279 30.725 31.700 -2.090 0.000 1.381 204 T N -4.827 109.280 114.554 -0.745 0.000 3.043 204 T HA 0.228 4.578 4.350 -0.001 0.000 0.263 204 T C 1.743 176.431 174.700 -0.020 0.000 1.094 204 T CA 1.055 62.839 62.100 -0.527 0.000 1.127 204 T CB -1.144 67.433 68.868 -0.486 0.000 0.905 204 T HN 0.164 nan 8.240 nan 0.000 0.490 205 G N 1.665 110.450 108.800 -0.024 0.000 2.189 205 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.267 205 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.267 205 G C -0.076 174.870 174.900 0.076 0.000 0.975 205 G CA 0.166 45.316 45.100 0.085 0.000 0.644 205 G HN 0.716 nan 8.290 nan 0.000 0.537 206 N N 0.539 119.257 118.700 0.030 0.000 2.530 206 N HA 0.512 5.251 4.740 -0.001 0.000 0.273 206 N C -0.213 175.297 175.510 -0.000 0.000 1.173 206 N CA 0.337 53.402 53.050 0.024 0.000 0.967 206 N CB 0.898 39.385 38.487 -0.000 0.000 1.109 206 N HN 0.175 nan 8.380 nan 0.000 0.453 207 S N 1.277 116.979 115.700 0.003 0.000 2.503 207 S HA 0.350 4.820 4.470 -0.001 0.000 0.301 207 S C -0.079 174.516 174.600 -0.007 0.000 1.087 207 S CA -0.753 57.442 58.200 -0.007 0.000 1.042 207 S CB 1.059 64.249 63.200 -0.017 0.000 1.043 207 S HN 0.315 nan 8.310 nan 0.000 0.489 208 L N 2.891 124.110 121.223 -0.007 0.000 2.483 208 L HA 0.176 4.516 4.340 -0.001 0.000 0.276 208 L C 1.193 178.040 176.870 -0.038 0.000 1.213 208 L CA -0.036 54.796 54.840 -0.013 0.000 0.843 208 L CB 0.521 42.574 42.059 -0.010 0.000 1.107 208 L HN 0.761 nan 8.230 nan 0.000 0.487 209 T N -1.294 113.242 114.554 -0.031 0.000 2.902 209 T HA 0.102 4.451 4.350 -0.001 0.000 0.280 209 T C 1.040 175.698 174.700 -0.071 0.000 0.992 209 T CA -0.244 61.833 62.100 -0.038 0.000 1.015 209 T CB 1.654 70.511 68.868 -0.017 0.000 1.044 209 T HN 0.584 nan 8.240 nan 0.000 0.520 210 S N 0.274 115.931 115.700 -0.071 0.000 2.368 210 S HA -0.141 4.329 4.470 -0.001 0.000 0.225 210 S C 1.763 176.326 174.600 -0.062 0.000 1.030 210 S CA 1.615 59.760 58.200 -0.091 0.000 0.999 210 S CB -0.732 62.430 63.200 -0.064 0.000 0.844 210 S HN 0.796 nan 8.310 nan 0.000 0.459 211 E N 0.989 121.172 120.200 -0.029 0.000 2.077 211 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 211 E C 2.396 179.008 176.600 0.019 0.000 0.989 211 E CA 1.157 57.555 56.400 -0.003 0.000 0.800 211 E CB -0.185 29.518 29.700 0.004 0.000 0.746 211 E HN 0.472 nan 8.360 nan 0.000 0.452 212 R N 0.440 120.951 120.500 0.018 0.000 2.092 212 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 212 R C 2.171 178.529 176.300 0.096 0.000 1.119 212 R CA 1.053 57.188 56.100 0.058 0.000 0.970 212 R CB -0.094 30.238 30.300 0.054 0.000 0.864 212 R HN 0.081 nan 8.270 nan 0.000 0.440 213 K N 0.875 121.274 120.400 -0.002 0.000 2.032 213 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 213 K C 2.008 178.699 176.600 0.153 0.000 1.048 213 K CA 1.540 57.778 56.287 -0.081 0.000 0.927 213 K CB -0.065 32.105 32.500 -0.549 0.000 0.712 213 K HN 0.121 nan 8.250 nan 0.000 0.441 214 K N 0.985 121.426 120.400 0.068 0.000 2.074 214 K HA -0.203 4.117 4.320 -0.001 0.000 0.209 214 K C 2.087 178.802 176.600 0.191 0.000 1.048 214 K CA 1.689 58.047 56.287 0.118 0.000 0.926 214 K CB -0.089 32.439 32.500 0.046 0.000 0.713 214 K HN 0.258 nan 8.250 nan 0.000 0.444 215 E N 0.640 120.936 120.200 0.161 0.000 2.077 215 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 215 E C 2.097 178.822 176.600 0.209 0.000 0.989 215 E CA 1.135 57.633 56.400 0.162 0.000 0.800 215 E CB -0.186 29.591 29.700 0.128 0.000 0.746 215 E HN 0.271 nan 8.360 nan 0.000 0.452 216 I N 0.281 121.014 120.570 0.271 0.000 2.163 216 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 216 I C 2.377 178.650 176.117 0.260 0.000 1.085 216 I CA 1.257 62.739 61.300 0.303 0.000 1.347 216 I CB -0.359 37.889 38.000 0.415 0.000 1.044 216 I HN 0.109 nan 8.210 nan 0.000 0.408 217 Y N 1.805 122.249 120.300 0.240 0.000 2.151 217 Y HA -0.352 4.198 4.550 -0.000 0.000 0.284 217 Y C 2.740 178.657 175.900 0.028 0.000 1.166 217 Y CA 2.286 60.467 58.100 0.134 0.000 1.163 217 Y CB -0.251 38.325 38.460 0.194 0.000 0.974 217 Y HN 0.288 nan 8.280 nan 0.000 0.511 218 E N 0.127 120.444 120.200 0.194 0.000 2.085 218 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 218 E C 2.087 178.685 176.600 -0.004 0.000 0.994 218 E CA 1.825 58.281 56.400 0.094 0.000 0.801 218 E CB -0.666 29.111 29.700 0.128 0.000 0.743 218 E HN 0.613 nan 8.360 nan 0.000 0.453 219 L N 0.727 121.978 121.223 0.047 0.000 2.083 219 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 219 L C 2.822 179.539 176.870 -0.256 0.000 1.083 219 L CA 1.214 56.108 54.840 0.091 0.000 0.752 219 L CB -0.433 41.771 42.059 0.242 0.000 0.899 219 L HN 0.261 nan 8.230 nan 0.000 0.433 220 A N 0.857 123.318 122.820 -0.599 0.000 1.898 220 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 220 A C 2.312 179.351 177.584 -0.908 0.000 1.181 220 A CA 1.543 52.742 52.037 -1.397 0.000 0.620 220 A CB -0.419 18.013 19.000 -0.947 0.000 0.819 220 A HN 0.479 nan 8.150 nan 0.000 0.442 221 R N 0.061 120.216 120.500 -0.576 0.000 2.075 221 R HA -0.056 4.283 4.340 -0.001 0.000 0.232 221 R C 2.171 178.316 176.300 -0.259 0.000 1.126 221 R CA 1.505 57.390 56.100 -0.357 0.000 0.963 221 R CB -0.502 29.660 30.300 -0.230 0.000 0.858 221 R HN 0.479 nan 8.270 nan 0.000 0.435 222 K N 0.668 120.931 120.400 -0.227 0.000 2.032 222 K HA -0.162 4.158 4.320 -0.001 0.000 0.209 222 K C 0.854 177.215 176.600 -0.399 0.000 1.048 222 K CA 1.562 57.690 56.287 -0.264 0.000 0.927 222 K CB -0.045 32.334 32.500 -0.202 0.000 0.712 222 K HN 0.287 nan 8.250 nan 0.000 0.441 223 Y N 0.466 120.666 120.300 -0.167 0.000 2.485 223 Y HA 0.108 4.657 4.550 -0.001 0.000 0.260 223 Y C -0.306 175.538 175.900 -0.093 0.000 1.173 223 Y CA -0.147 57.916 58.100 -0.062 0.000 1.252 223 Y CB 0.270 38.804 38.460 0.123 0.000 1.123 223 Y HN 0.195 nan 8.280 nan 0.000 0.524 224 D N 1.229 121.554 120.400 -0.125 0.000 2.802 224 D HA -0.241 4.398 4.640 -0.001 0.000 0.229 224 D C -0.828 175.539 176.300 0.112 0.000 1.203 224 D CA 0.676 54.635 54.000 -0.069 0.000 0.712 224 D CB -1.158 39.645 40.800 0.005 0.000 0.973 224 D HN 0.328 nan 8.370 nan 0.000 0.407 225 F N -1.113 118.867 119.950 0.050 0.000 2.541 225 F HA 0.714 5.241 4.527 -0.001 0.000 0.331 225 F C -0.266 175.469 175.800 -0.109 0.000 1.057 225 F CA -1.768 56.266 58.000 0.056 0.000 0.975 225 F CB 0.455 39.471 39.000 0.026 0.000 1.246 225 F HN -0.156 nan 8.300 nan 0.000 0.484 226 L N 2.130 123.433 121.223 0.134 0.000 2.436 226 L HA 0.368 4.707 4.340 -0.001 0.000 0.265 226 L C -0.150 176.817 176.870 0.161 0.000 1.168 226 L CA -0.422 54.390 54.840 -0.047 0.000 0.815 226 L CB 0.623 42.587 42.059 -0.158 0.000 1.109 226 L HN 0.577 nan 8.230 nan 0.000 0.462 227 I N 4.031 124.593 120.570 -0.012 0.000 2.339 227 I HA 0.355 4.525 4.170 -0.001 0.000 0.290 227 I C -0.153 175.895 176.117 -0.116 0.000 0.994 227 I CA -0.343 60.910 61.300 -0.078 0.000 1.191 227 I CB 1.489 39.293 38.000 -0.327 0.000 1.343 227 I HN 0.435 nan 8.210 nan 0.000 0.458 228 I N 6.458 126.978 120.570 -0.083 0.000 2.306 228 I HA 0.281 4.451 4.170 -0.001 0.000 0.288 228 I C -0.057 175.950 176.117 -0.184 0.000 1.036 228 I CA -0.188 61.034 61.300 -0.130 0.000 1.221 228 I CB 0.675 38.587 38.000 -0.148 0.000 1.385 228 I HN 0.659 nan 8.210 nan 0.000 0.472 229 E N 6.253 126.349 120.200 -0.173 0.000 1.936 229 E HA 0.078 4.428 4.350 -0.001 0.000 0.267 229 E C -0.934 175.551 176.600 -0.190 0.000 1.076 229 E CA -0.576 55.739 56.400 -0.141 0.000 0.870 229 E CB 0.464 30.153 29.700 -0.019 0.000 1.093 229 E HN 0.599 nan 8.360 nan 0.000 0.411 230 D N 3.740 123.980 120.400 -0.265 0.000 2.393 230 D HA 0.064 4.704 4.640 -0.001 0.000 0.232 230 D C -0.895 175.304 176.300 -0.168 0.000 1.192 230 D CA -0.226 53.650 54.000 -0.206 0.000 0.882 230 D CB 0.749 41.455 40.800 -0.158 0.000 1.038 230 D HN 0.215 nan 8.370 nan 0.000 0.499 231 D N 4.436 124.732 120.400 -0.173 0.000 2.943 231 D HA 0.183 4.823 4.640 -0.001 0.000 0.347 231 D C -1.819 174.393 176.300 -0.148 0.000 1.305 231 D CA -1.603 52.324 54.000 -0.122 0.000 0.870 231 D CB 1.128 41.846 40.800 -0.137 0.000 1.081 231 D HN 0.285 nan 8.370 nan 0.000 0.492 232 P HA -0.061 nan 4.420 nan 0.000 0.233 232 P C 0.451 177.469 177.300 -0.469 0.000 1.167 232 P CA 0.478 63.338 63.100 -0.399 0.000 0.770 232 P CB 0.002 31.349 31.700 -0.588 0.000 0.837 233 Y N -2.513 117.761 120.300 -0.042 0.000 2.658 233 Y HA 0.173 4.723 4.550 -0.001 0.000 0.276 233 Y C 2.072 177.911 175.900 -0.102 0.000 1.167 233 Y CA -0.746 57.300 58.100 -0.090 0.000 1.230 233 Y CB -0.660 37.714 38.460 -0.144 0.000 1.144 233 Y HN -0.140 nan 8.280 nan 0.000 0.529 234 Y N -0.219 120.014 120.300 -0.112 0.000 2.224 234 Y HA -0.205 4.345 4.550 -0.000 0.000 0.289 234 Y C 0.831 176.550 175.900 -0.302 0.000 1.146 234 Y CA 1.500 59.452 58.100 -0.247 0.000 1.182 234 Y CB -0.290 37.939 38.460 -0.385 0.000 0.983 234 Y HN 0.123 nan 8.280 nan 0.000 0.524 235 F N -0.285 119.648 119.950 -0.028 0.000 2.663 235 F HA 0.233 4.760 4.527 -0.001 0.000 0.299 235 F C -0.005 175.697 175.800 -0.162 0.000 1.143 235 F CA 0.096 58.030 58.000 -0.110 0.000 1.387 235 F CB 0.092 39.153 39.000 0.101 0.000 1.019 235 F HN -0.033 nan 8.300 nan 0.000 0.523 236 L N 0.151 121.307 121.223 -0.112 0.000 3.255 236 L HA 0.266 4.606 4.340 -0.001 0.000 0.293 236 L C -0.103 176.460 176.870 -0.513 0.000 1.302 236 L CA 0.107 54.807 54.840 -0.234 0.000 0.977 236 L CB 0.158 42.073 42.059 -0.241 0.000 1.390 236 L HN 0.005 nan 8.230 nan 0.000 0.588 237 Q N -0.874 118.672 119.800 -0.424 0.000 2.267 237 Q HA 0.272 4.612 4.340 -0.001 0.000 0.255 237 Q C 0.463 176.262 176.000 -0.334 0.000 0.923 237 Q CA -0.091 55.439 55.803 -0.455 0.000 0.925 237 Q CB 0.976 29.533 28.738 -0.302 0.000 1.195 237 Q HN 0.294 nan 8.270 nan 0.000 0.417 238 F N -0.133 119.816 119.950 -0.002 0.000 2.367 238 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 238 F C 1.259 177.062 175.800 0.005 0.000 1.094 238 F CA -0.173 57.832 58.000 0.008 0.000 1.409 238 F CB 0.251 39.263 39.000 0.021 0.000 1.064 238 F HN 0.522 nan 8.300 nan 0.000 0.528 239 N N 1.812 120.598 118.700 0.144 0.000 2.431 239 N HA -0.033 4.707 4.740 -0.001 0.000 0.265 239 N C 0.882 176.423 175.510 0.052 0.000 1.184 239 N CA 0.158 53.277 53.050 0.115 0.000 0.943 239 N CB 0.750 39.304 38.487 0.112 0.000 1.080 239 N HN -0.079 nan 8.380 nan 0.000 0.477 240 K N 2.687 123.104 120.400 0.029 0.000 2.360 240 K HA -0.035 4.285 4.320 -0.001 0.000 0.201 240 K C -0.049 176.359 176.600 -0.320 0.000 1.046 240 K CA 0.629 56.831 56.287 -0.142 0.000 0.945 240 K CB -0.218 32.166 32.500 -0.194 0.000 0.750 240 K HN 0.447 nan 8.250 nan 0.000 0.464 241 F N 2.057 121.996 119.950 -0.019 0.000 2.405 241 F HA 0.188 4.715 4.527 -0.001 0.000 0.358 241 F C 0.807 176.580 175.800 -0.045 0.000 1.151 241 F CA -0.498 57.488 58.000 -0.024 0.000 1.161 241 F CB 0.290 39.281 39.000 -0.014 0.000 1.245 241 F HN -0.327 nan 8.300 nan 0.000 0.545 242 R N 1.768 122.284 120.500 0.027 0.000 2.537 242 R HA 0.237 4.576 4.340 -0.001 0.000 0.280 242 R C -0.243 176.082 176.300 0.042 0.000 1.058 242 R CA -0.511 55.563 56.100 -0.042 0.000 1.057 242 R CB 1.151 31.366 30.300 -0.142 0.000 0.973 242 R HN 0.507 nan 8.270 nan 0.000 0.438 243 V N 5.711 125.635 119.914 0.017 0.000 2.572 243 V HA 0.154 4.274 4.120 -0.001 0.000 0.291 243 V C -2.020 174.098 176.094 0.040 0.000 1.039 243 V CA -1.786 60.525 62.300 0.018 0.000 1.055 243 V CB 0.801 32.611 31.823 -0.023 0.000 0.969 243 V HN 0.632 nan 8.190 nan 0.000 0.482 244 P HA 0.072 nan 4.420 nan 0.000 0.263 244 P C -0.235 177.012 177.300 -0.088 0.000 1.168 244 P CA 0.522 63.618 63.100 -0.008 0.000 0.759 244 P CB 0.121 31.790 31.700 -0.052 0.000 0.782 245 T N -0.406 114.102 114.554 -0.076 0.000 2.899 245 T HA 0.283 4.632 4.350 -0.001 0.000 0.284 245 T C 0.990 175.556 174.700 -0.223 0.000 1.004 245 T CA -0.363 61.618 62.100 -0.198 0.000 1.043 245 T CB 0.222 68.888 68.868 -0.336 0.000 1.013 245 T HN 0.131 nan 8.240 nan 0.000 0.518 246 F N 0.213 120.096 119.950 -0.112 0.000 2.161 246 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 246 F C 2.256 177.984 175.800 -0.120 0.000 1.089 246 F CA 0.920 58.882 58.000 -0.064 0.000 1.282 246 F CB -0.451 38.558 39.000 0.014 0.000 1.010 246 F HN 0.449 nan 8.300 nan 0.000 0.485 247 L N 0.447 121.653 121.223 -0.027 0.000 2.079 247 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 247 L C 2.588 179.388 176.870 -0.117 0.000 1.081 247 L CA 2.059 56.826 54.840 -0.121 0.000 0.752 247 L CB -0.906 40.982 42.059 -0.285 0.000 0.896 247 L HN 0.183 nan 8.230 nan 0.000 0.433 248 S N -0.409 115.219 115.700 -0.119 0.000 2.469 248 S HA -0.203 4.267 4.470 -0.001 0.000 0.238 248 S C 1.593 176.122 174.600 -0.118 0.000 0.998 248 S CA 1.185 59.346 58.200 -0.064 0.000 0.957 248 S CB -0.701 62.492 63.200 -0.011 0.000 0.764 248 S HN 0.688 nan 8.310 nan 0.000 0.514 249 M N -0.331 119.156 119.600 -0.189 0.000 2.496 249 M HA 0.441 4.921 4.480 -0.001 0.000 0.330 249 M C -0.364 175.614 176.300 -0.537 0.000 1.133 249 M CA -0.225 54.873 55.300 -0.337 0.000 0.964 249 M CB 0.018 32.384 32.600 -0.389 0.000 1.401 249 M HN -0.078 nan 8.290 nan 0.000 0.520 250 D N 2.163 122.419 120.400 -0.241 0.000 2.713 250 D HA 0.106 4.745 4.640 -0.001 0.000 0.229 250 D C 1.026 177.364 176.300 0.064 0.000 1.136 250 D CA -0.073 53.920 54.000 -0.010 0.000 1.010 250 D CB 0.624 41.484 40.800 0.100 0.000 1.084 250 D HN 0.169 nan 8.370 nan 0.000 0.495 251 V N 1.839 121.794 119.914 0.067 0.000 2.913 251 V HA -0.115 4.005 4.120 -0.001 0.000 0.260 251 V C 0.840 177.131 176.094 0.328 0.000 1.098 251 V CA 1.489 63.891 62.300 0.171 0.000 1.121 251 V CB 0.023 31.920 31.823 0.123 0.000 0.714 251 V HN 0.300 nan 8.190 nan 0.000 0.487 252 D N 0.254 120.864 120.400 0.350 0.000 2.367 252 D HA 0.212 4.852 4.640 -0.001 0.000 0.207 252 D C 1.554 178.017 176.300 0.270 0.000 1.034 252 D CA 0.966 55.127 54.000 0.269 0.000 0.861 252 D CB 0.272 41.160 40.800 0.146 0.000 0.943 252 D HN 0.533 nan 8.370 nan 0.000 0.515 253 G N 2.223 111.185 108.800 0.271 0.000 2.256 253 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.272 253 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.272 253 G C 0.751 175.785 174.900 0.224 0.000 1.076 253 G CA 0.447 45.698 45.100 0.251 0.000 0.882 253 G HN 0.498 nan 8.290 nan 0.000 0.497 254 R N -1.543 119.032 120.500 0.125 0.000 2.472 254 R HA 0.522 4.862 4.340 -0.001 0.000 0.279 254 R C 0.155 176.437 176.300 -0.031 0.000 0.953 254 R CA -0.227 55.872 56.100 -0.000 0.000 1.088 254 R CB 0.682 30.896 30.300 -0.143 0.000 1.197 254 R HN 0.280 nan 8.270 nan 0.000 0.536 255 V N 2.264 122.195 119.914 0.028 0.000 2.472 255 V HA 0.405 4.525 4.120 -0.001 0.000 0.290 255 V C -0.101 175.956 176.094 -0.062 0.000 1.037 255 V CA -0.705 61.587 62.300 -0.012 0.000 0.908 255 V CB 1.853 33.711 31.823 0.058 0.000 0.985 255 V HN 0.183 nan 8.190 nan 0.000 0.454 256 I N 5.224 125.732 120.570 -0.104 0.000 2.378 256 I HA 0.562 4.732 4.170 -0.001 0.000 0.291 256 I C 0.018 176.045 176.117 -0.150 0.000 0.992 256 I CA -0.464 60.757 61.300 -0.131 0.000 1.154 256 I CB 1.509 39.415 38.000 -0.157 0.000 1.315 256 I HN 0.547 nan 8.210 nan 0.000 0.448 257 R N 5.699 126.101 120.500 -0.163 0.000 2.393 257 R HA 0.779 5.119 4.340 -0.001 0.000 0.315 257 R C -1.214 174.943 176.300 -0.239 0.000 0.952 257 R CA -0.490 55.488 56.100 -0.204 0.000 0.842 257 R CB 1.631 31.786 30.300 -0.242 0.000 1.163 257 R HN 0.735 nan 8.270 nan 0.000 0.450 258 A N 4.309 126.974 122.820 -0.257 0.000 2.274 258 A HA 0.370 4.689 4.320 -0.001 0.000 0.309 258 A C -0.857 176.482 177.584 -0.408 0.000 1.226 258 A CA -0.608 51.247 52.037 -0.304 0.000 0.853 258 A CB 0.767 19.626 19.000 -0.235 0.000 1.146 258 A HN 0.823 nan 8.150 nan 0.000 0.518 259 D N 0.666 120.670 120.400 -0.659 0.000 2.269 259 D HA 0.575 5.215 4.640 -0.001 0.000 0.244 259 D C -0.812 175.065 176.300 -0.706 0.000 0.992 259 D CA 0.036 53.554 54.000 -0.802 0.000 0.894 259 D CB 2.146 42.028 40.800 -1.531 0.000 1.248 259 D HN 0.434 nan 8.370 nan 0.000 0.468 260 S N 0.584 116.054 115.700 -0.383 0.000 2.536 260 S HA 0.381 4.851 4.470 -0.001 0.000 0.287 260 S C -0.419 174.228 174.600 0.078 0.000 1.101 260 S CA -0.550 57.539 58.200 -0.185 0.000 0.950 260 S CB 0.579 63.693 63.200 -0.144 0.000 1.056 260 S HN 0.248 nan 8.310 nan 0.000 0.481 261 F N 2.205 122.259 119.950 0.173 0.000 2.693 261 F HA 0.286 4.813 4.527 -0.000 0.000 0.303 261 F C 2.210 178.088 175.800 0.130 0.000 1.097 261 F CA -0.176 57.946 58.000 0.204 0.000 1.330 261 F CB -0.451 38.674 39.000 0.210 0.000 1.067 261 F HN 0.487 nan 8.300 nan 0.000 0.565 262 S N -0.038 115.801 115.700 0.232 0.000 2.402 262 S HA -0.151 4.319 4.470 -0.001 0.000 0.229 262 S C 1.946 176.624 174.600 0.131 0.000 1.021 262 S CA 1.201 59.486 58.200 0.142 0.000 0.974 262 S CB 0.012 63.248 63.200 0.061 0.000 0.800 262 S HN 0.189 nan 8.310 nan 0.000 0.484 263 K N 1.106 121.576 120.400 0.117 0.000 2.361 263 K HA 0.264 4.584 4.320 -0.001 0.000 0.196 263 K C 1.680 178.385 176.600 0.174 0.000 1.039 263 K CA 0.386 56.737 56.287 0.107 0.000 1.001 263 K CB -0.021 32.485 32.500 0.010 0.000 0.795 263 K HN 0.600 nan 8.250 nan 0.000 0.495 264 I N -4.420 116.291 120.570 0.235 0.000 4.032 264 I HA 0.267 4.437 4.170 -0.001 0.000 0.313 264 I C 1.426 177.736 176.117 0.322 0.000 1.272 264 I CA 0.265 61.731 61.300 0.277 0.000 1.307 264 I CB 0.334 38.494 38.000 0.266 0.000 1.155 264 I HN -0.131 nan 8.210 nan 0.000 0.431 265 I N -0.471 120.228 120.570 0.214 0.000 3.873 265 I HA 0.234 4.403 4.170 -0.001 0.000 0.284 265 I C 0.426 176.580 176.117 0.063 0.000 1.186 265 I CA 0.207 61.551 61.300 0.074 0.000 1.362 265 I CB 1.129 39.042 38.000 -0.146 0.000 1.432 265 I HN 0.223 nan 8.210 nan 0.000 0.454 266 S N -0.597 115.171 115.700 0.113 0.000 2.596 266 S HA 0.130 4.600 4.470 -0.001 0.000 0.305 266 S C 0.452 175.126 174.600 0.123 0.000 1.086 266 S CA -0.060 58.199 58.200 0.098 0.000 0.909 266 S CB 0.878 64.111 63.200 0.055 0.000 1.106 266 S HN 0.239 nan 8.310 nan 0.000 0.450 267 S N 3.401 119.165 115.700 0.106 0.000 2.395 267 S HA 0.129 4.599 4.470 -0.001 0.000 0.225 267 S C 1.981 176.628 174.600 0.079 0.000 1.027 267 S CA 0.951 59.209 58.200 0.097 0.000 0.965 267 S CB -0.815 62.441 63.200 0.093 0.000 0.812 267 S HN 1.111 nan 8.310 nan 0.000 0.482 268 G N 1.680 110.519 108.800 0.065 0.000 2.484 268 G HA2 0.102 4.061 3.960 -0.001 0.000 0.218 268 G HA3 0.102 4.061 3.960 -0.001 0.000 0.218 268 G C 1.327 176.252 174.900 0.042 0.000 1.130 268 G CA 0.307 45.435 45.100 0.047 0.000 0.784 268 G HN 0.485 nan 8.290 nan 0.000 0.543 269 L N -0.599 120.657 121.223 0.055 0.000 2.376 269 L HA 0.085 4.425 4.340 -0.001 0.000 0.219 269 L C 0.726 177.640 176.870 0.073 0.000 1.133 269 L CA -0.100 54.777 54.840 0.061 0.000 0.816 269 L CB -0.140 41.962 42.059 0.072 0.000 0.933 269 L HN 0.086 nan 8.230 nan 0.000 0.449 270 R N 0.917 121.464 120.500 0.078 0.000 3.152 270 R HA -0.127 4.212 4.340 -0.001 0.000 0.252 270 R C -1.020 175.336 176.300 0.093 0.000 0.930 270 R CA 0.581 56.725 56.100 0.072 0.000 0.642 270 R CB -2.413 27.914 30.300 0.046 0.000 1.205 270 R HN 0.191 nan 8.270 nan 0.000 0.452 271 I N -0.178 120.473 120.570 0.134 0.000 2.497 271 I HA 0.504 4.673 4.170 -0.001 0.000 0.284 271 I C 1.069 177.294 176.117 0.179 0.000 1.060 271 I CA -0.317 61.086 61.300 0.173 0.000 1.071 271 I CB 1.884 40.028 38.000 0.239 0.000 1.216 271 I HN 0.359 nan 8.210 nan 0.000 0.442 272 G N 5.515 114.377 108.800 0.103 0.000 3.140 272 G HA2 0.881 4.841 3.960 -0.001 0.000 0.271 272 G HA3 0.881 4.841 3.960 -0.001 0.000 0.271 272 G C -1.503 173.481 174.900 0.140 0.000 1.370 272 G CA -0.490 44.620 45.100 0.017 0.000 1.014 272 G HN 0.410 nan 8.290 nan 0.000 0.541 273 F N -2.125 117.714 119.950 -0.185 0.000 2.631 273 F HA 0.803 5.330 4.527 -0.001 0.000 0.308 273 F C -1.656 174.068 175.800 -0.126 0.000 1.097 273 F CA -1.652 56.265 58.000 -0.138 0.000 0.952 273 F CB 1.812 40.729 39.000 -0.138 0.000 1.307 273 F HN 0.494 nan 8.300 nan 0.000 0.450 274 L N 1.869 123.106 121.223 0.024 0.000 2.362 274 L HA 0.848 5.187 4.340 -0.001 0.000 0.275 274 L C -0.847 176.017 176.870 -0.010 0.000 0.998 274 L CA 0.015 54.811 54.840 -0.073 0.000 0.820 274 L CB 2.204 44.214 42.059 -0.082 0.000 1.270 274 L HN 0.886 nan 8.230 nan 0.000 0.415 275 T N 3.300 117.821 114.554 -0.054 0.000 2.861 275 T HA 0.952 5.301 4.350 -0.001 0.000 0.287 275 T C -0.211 174.442 174.700 -0.079 0.000 1.003 275 T CA -0.198 61.883 62.100 -0.032 0.000 0.977 275 T CB 1.702 70.564 68.868 -0.009 0.000 0.996 275 T HN 1.008 nan 8.240 nan 0.000 0.448 276 G N 2.471 111.226 108.800 -0.077 0.000 2.323 276 G HA2 0.461 4.421 3.960 -0.001 0.000 0.291 276 G HA3 0.461 4.421 3.960 -0.001 0.000 0.291 276 G C -3.429 171.407 174.900 -0.106 0.000 1.278 276 G CA -0.914 44.130 45.100 -0.093 0.000 0.860 276 G HN 0.496 nan 8.290 nan 0.000 0.504 277 P HA 0.224 nan 4.420 nan 0.000 0.267 277 P C 0.757 177.911 177.300 -0.243 0.000 1.209 277 P CA -0.024 62.952 63.100 -0.205 0.000 0.763 277 P CB 1.310 32.773 31.700 -0.395 0.000 0.816 278 K N 5.669 125.976 120.400 -0.156 0.000 2.071 278 K HA -0.217 4.103 4.320 -0.001 0.000 0.217 278 K C -0.850 175.664 176.600 -0.143 0.000 1.054 278 K CA 2.450 58.670 56.287 -0.112 0.000 0.937 278 K CB -1.355 31.117 32.500 -0.046 0.000 0.719 278 K HN 0.423 nan 8.250 nan 0.000 0.454 279 P HA -0.123 nan 4.420 nan 0.000 0.220 279 P C 0.940 178.142 177.300 -0.163 0.000 1.148 279 P CA 1.111 64.111 63.100 -0.168 0.000 0.803 279 P CB 0.082 31.684 31.700 -0.162 0.000 0.782 280 L N -1.526 119.538 121.223 -0.265 0.000 2.127 280 L HA -0.059 4.281 4.340 -0.001 0.000 0.203 280 L C 2.188 179.000 176.870 -0.096 0.000 1.080 280 L CA 0.853 55.601 54.840 -0.153 0.000 0.768 280 L CB -0.755 41.194 42.059 -0.183 0.000 0.924 280 L HN -0.084 nan 8.230 nan 0.000 0.444 281 I N 0.430 120.936 120.570 -0.108 0.000 2.286 281 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 281 I C 2.531 178.625 176.117 -0.038 0.000 1.115 281 I CA 1.420 62.679 61.300 -0.067 0.000 1.392 281 I CB -1.006 36.956 38.000 -0.064 0.000 1.065 281 I HN 0.438 nan 8.210 nan 0.000 0.418 282 E N 0.973 121.150 120.200 -0.039 0.000 2.058 282 E HA -0.268 4.082 4.350 -0.001 0.000 0.194 282 E C 2.259 178.861 176.600 0.002 0.000 0.997 282 E CA 1.376 57.767 56.400 -0.015 0.000 0.801 282 E CB 0.108 29.798 29.700 -0.016 0.000 0.746 282 E HN 0.237 nan 8.360 nan 0.000 0.450 283 R N 0.318 120.819 120.500 0.003 0.000 2.091 283 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 283 R C 2.586 178.916 176.300 0.050 0.000 1.136 283 R CA 1.459 57.575 56.100 0.026 0.000 0.959 283 R CB -1.683 28.637 30.300 0.033 0.000 0.856 283 R HN 0.429 nan 8.270 nan 0.000 0.437 284 V N -1.355 118.577 119.914 0.030 0.000 2.453 284 V HA -0.083 4.037 4.120 -0.001 0.000 0.247 284 V C 2.167 178.287 176.094 0.042 0.000 1.048 284 V CA 1.272 63.594 62.300 0.036 0.000 1.049 284 V CB -0.566 31.245 31.823 -0.020 0.000 0.672 284 V HN 0.118 nan 8.190 nan 0.000 0.457 285 I N 0.259 120.845 120.570 0.027 0.000 2.208 285 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 285 I C 2.645 178.793 176.117 0.052 0.000 1.097 285 I CA 2.073 63.392 61.300 0.032 0.000 1.363 285 I CB -0.407 37.606 38.000 0.020 0.000 1.051 285 I HN 0.288 nan 8.210 nan 0.000 0.413 286 L N -0.474 120.782 121.223 0.055 0.000 2.046 286 L HA -0.257 4.083 4.340 -0.001 0.000 0.208 286 L C 2.652 179.586 176.870 0.105 0.000 1.077 286 L CA 1.589 56.464 54.840 0.058 0.000 0.747 286 L CB -0.914 41.166 42.059 0.035 0.000 0.896 286 L HN 0.354 nan 8.230 nan 0.000 0.432 287 H N 0.345 119.417 119.070 0.004 0.000 2.357 287 H HA -0.195 4.361 4.556 -0.000 0.000 0.301 287 H C 2.370 177.701 175.328 0.005 0.000 1.082 287 H CA 1.579 57.630 56.048 0.005 0.000 1.342 287 H CB 0.204 29.968 29.762 0.004 0.000 1.389 287 H HN 0.382 nan 8.280 nan 0.000 0.511 288 I N 0.001 120.629 120.570 0.096 0.000 2.286 288 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 288 I C 2.016 178.165 176.117 0.054 0.000 1.115 288 I CA 1.388 62.703 61.300 0.025 0.000 1.392 288 I CB -0.432 37.566 38.000 -0.003 0.000 1.065 288 I HN 0.280 nan 8.210 nan 0.000 0.418 289 Q N 0.722 120.561 119.800 0.066 0.000 2.234 289 Q HA -0.134 4.205 4.340 -0.001 0.000 0.206 289 Q C 2.151 178.181 176.000 0.049 0.000 0.980 289 Q CA 2.206 58.041 55.803 0.052 0.000 0.869 289 Q CB -0.296 28.465 28.738 0.040 0.000 0.912 289 Q HN 0.776 nan 8.270 nan 0.000 0.436 290 V N -3.130 116.830 119.914 0.076 0.000 3.647 290 V HA 0.120 4.240 4.120 -0.001 0.000 0.279 290 V C 1.307 177.450 176.094 0.082 0.000 1.314 290 V CA 0.732 63.075 62.300 0.071 0.000 1.125 290 V CB 0.341 32.203 31.823 0.065 0.000 0.907 290 V HN 0.234 nan 8.190 nan 0.000 0.434 291 S N 1.398 117.142 115.700 0.074 0.000 3.169 291 S HA 0.016 4.486 4.470 -0.001 0.000 0.174 291 S C 1.784 176.388 174.600 0.006 0.000 0.696 291 S CA 0.919 59.144 58.200 0.041 0.000 0.819 291 S CB -0.269 62.940 63.200 0.014 0.000 0.867 291 S HN 0.586 nan 8.310 nan 0.000 0.680 292 T N 0.404 114.948 114.554 -0.017 0.000 3.085 292 T HA 0.340 4.689 4.350 -0.001 0.000 0.263 292 T C 1.359 176.024 174.700 -0.058 0.000 1.127 292 T CA 0.786 62.861 62.100 -0.041 0.000 1.103 292 T CB -0.725 68.111 68.868 -0.052 0.000 0.921 292 T HN 0.501 nan 8.240 nan 0.000 0.510 293 L N -0.159 121.062 121.223 -0.003 0.000 3.159 293 L HA -0.258 4.082 4.340 -0.001 0.000 0.370 293 L C 0.657 177.610 176.870 0.138 0.000 1.458 293 L CA 2.148 57.017 54.840 0.048 0.000 3.093 293 L CB -1.766 40.330 42.059 0.062 0.000 1.152 293 L HN 0.896 nan 8.230 nan 0.000 0.779 294 H N -2.552 116.557 119.070 0.065 0.000 2.987 294 H HA 0.487 5.043 4.556 -0.001 0.000 0.316 294 H C -3.184 172.178 175.328 0.058 0.000 1.380 294 H CA -1.475 54.610 56.048 0.061 0.000 1.160 294 H CB 1.519 31.329 29.762 0.079 0.000 1.865 294 H HN -0.160 nan 8.280 nan 0.000 0.521 295 P HA 0.052 nan 4.420 nan 0.000 0.274 295 P C 0.035 177.477 177.300 0.236 0.000 1.231 295 P CA -0.343 62.835 63.100 0.130 0.000 0.790 295 P CB 0.694 32.470 31.700 0.126 0.000 0.951 296 S N 0.681 116.455 115.700 0.122 0.000 2.784 296 S HA -0.087 4.382 4.470 -0.001 0.000 0.322 296 S C 1.648 176.376 174.600 0.212 0.000 1.234 296 S CA 0.738 59.026 58.200 0.146 0.000 1.064 296 S CB -0.533 62.725 63.200 0.097 0.000 0.787 296 S HN 0.664 nan 8.310 nan 0.000 0.506 297 T N 4.919 119.622 114.554 0.248 0.000 2.857 297 T HA -0.122 4.228 4.350 -0.001 0.000 0.266 297 T C 1.425 176.187 174.700 0.103 0.000 1.048 297 T CA 1.550 63.728 62.100 0.130 0.000 1.139 297 T CB -0.526 68.362 68.868 0.033 0.000 0.874 297 T HN 0.698 nan 8.240 nan 0.000 0.455 298 F N 2.483 122.438 119.950 0.009 0.000 2.065 298 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 298 F C 2.079 177.935 175.800 0.092 0.000 1.112 298 F CA 2.349 60.383 58.000 0.057 0.000 1.212 298 F CB -0.607 38.419 39.000 0.042 0.000 0.975 298 F HN 0.353 nan 8.300 nan 0.000 0.476 299 N N -0.644 118.262 118.700 0.342 0.000 2.142 299 N HA -0.210 4.530 4.740 -0.001 0.000 0.186 299 N C 1.761 177.333 175.510 0.102 0.000 1.023 299 N CA 1.197 54.375 53.050 0.214 0.000 0.852 299 N CB -0.310 38.273 38.487 0.159 0.000 0.998 299 N HN 0.470 nan 8.380 nan 0.000 0.424 300 Q N 0.399 120.250 119.800 0.085 0.000 2.077 300 Q HA -0.160 4.179 4.340 -0.001 0.000 0.206 300 Q C 1.858 177.840 176.000 -0.029 0.000 0.989 300 Q CA 1.086 56.909 55.803 0.035 0.000 0.853 300 Q CB -0.086 28.674 28.738 0.037 0.000 0.907 300 Q HN 0.274 nan 8.270 nan 0.000 0.418 301 L N 0.074 121.258 121.223 -0.065 0.000 2.046 301 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 301 L C 2.224 179.087 176.870 -0.012 0.000 1.077 301 L CA 1.698 56.457 54.840 -0.135 0.000 0.747 301 L CB -0.806 41.008 42.059 -0.408 0.000 0.896 301 L HN 0.323 nan 8.230 nan 0.000 0.432 302 M N -1.422 118.214 119.600 0.060 0.000 2.080 302 M HA -0.255 4.225 4.480 -0.001 0.000 0.260 302 M C 2.276 178.485 176.300 -0.150 0.000 1.068 302 M CA 1.847 57.130 55.300 -0.028 0.000 1.109 302 M CB -0.429 32.137 32.600 -0.056 0.000 1.342 302 M HN 0.142 nan 8.290 nan 0.000 0.405 303 I N -0.876 119.608 120.570 -0.144 0.000 2.202 303 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 303 I C 2.758 178.686 176.117 -0.315 0.000 1.091 303 I CA 1.288 62.439 61.300 -0.249 0.000 1.368 303 I CB -0.420 37.484 38.000 -0.159 0.000 1.058 303 I HN 0.314 nan 8.210 nan 0.000 0.410 304 S N 0.165 115.743 115.700 -0.203 0.000 2.368 304 S HA -0.225 4.244 4.470 -0.001 0.000 0.224 304 S C 2.008 176.523 174.600 -0.141 0.000 1.029 304 S CA 1.456 59.551 58.200 -0.175 0.000 0.988 304 S CB -0.126 63.030 63.200 -0.075 0.000 0.838 304 S HN 0.418 nan 8.310 nan 0.000 0.462 305 Q N 0.098 119.802 119.800 -0.160 0.000 2.119 305 Q HA -0.067 4.272 4.340 -0.001 0.000 0.201 305 Q C 2.213 178.065 176.000 -0.246 0.000 0.972 305 Q CA 1.493 57.206 55.803 -0.151 0.000 0.847 305 Q CB -0.327 28.358 28.738 -0.088 0.000 0.903 305 Q HN 0.528 nan 8.270 nan 0.000 0.433 306 L N 0.304 121.296 121.223 -0.386 0.000 1.989 306 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 306 L C 1.898 178.348 176.870 -0.700 0.000 1.071 306 L CA 1.614 56.064 54.840 -0.651 0.000 0.749 306 L CB -0.480 41.109 42.059 -0.783 0.000 0.890 306 L HN 0.179 nan 8.230 nan 0.000 0.431 307 L N -0.727 120.094 121.223 -0.670 0.000 2.046 307 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 307 L C 2.554 179.084 176.870 -0.568 0.000 1.077 307 L CA 1.852 56.193 54.840 -0.832 0.000 0.747 307 L CB -1.380 39.710 42.059 -1.615 0.000 0.896 307 L HN 0.408 nan 8.230 nan 0.000 0.432 308 H N -1.556 117.246 119.070 -0.447 0.000 2.389 308 H HA -0.113 4.443 4.556 -0.001 0.000 0.299 308 H C 2.147 177.487 175.328 0.020 0.000 1.081 308 H CA 1.265 57.258 56.048 -0.092 0.000 1.345 308 H CB 0.235 29.950 29.762 -0.079 0.000 1.393 308 H HN 0.203 nan 8.280 nan 0.000 0.520 309 E N -0.525 119.701 120.200 0.044 0.000 2.107 309 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 309 E C 1.466 178.169 176.600 0.173 0.000 0.982 309 E CA 0.655 57.087 56.400 0.053 0.000 0.809 309 E CB -0.170 29.500 29.700 -0.050 0.000 0.756 309 E HN 0.451 nan 8.360 nan 0.000 0.459 310 W N 0.648 121.947 121.300 -0.002 0.000 2.388 310 W HA 0.189 4.849 4.660 -0.001 0.000 0.294 310 W C 1.182 177.766 176.519 0.108 0.000 1.212 310 W CA 1.738 59.105 57.345 0.035 0.000 1.271 310 W CB -0.891 28.584 29.460 0.024 0.000 1.126 310 W HN 0.180 nan 8.180 nan 0.000 0.535 311 G N 0.098 109.149 108.800 0.418 0.000 2.860 311 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.553 311 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.553 311 G C 0.716 175.900 174.900 0.473 0.000 1.439 311 G CA 0.133 45.466 45.100 0.389 0.000 0.879 311 G HN 0.293 nan 8.290 nan 0.000 0.545 312 E N -0.181 120.216 120.200 0.328 0.000 2.265 312 E HA -0.154 4.195 4.350 -0.001 0.000 0.196 312 E C 2.001 178.743 176.600 0.236 0.000 0.996 312 E CA 1.855 58.419 56.400 0.272 0.000 0.832 312 E CB -0.032 29.666 29.700 -0.002 0.000 0.756 312 E HN 0.593 nan 8.360 nan 0.000 0.491 313 E N -0.249 120.039 120.200 0.146 0.000 2.028 313 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 313 E C 1.923 178.509 176.600 -0.024 0.000 0.988 313 E CA 1.357 57.791 56.400 0.057 0.000 0.799 313 E CB -0.512 29.210 29.700 0.036 0.000 0.755 313 E HN 0.401 nan 8.360 nan 0.000 0.447 314 G N -0.042 108.745 108.800 -0.022 0.000 2.422 314 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 314 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 314 G C 1.436 175.904 174.900 -0.720 0.000 1.146 314 G CA 0.687 45.566 45.100 -0.368 0.000 0.769 314 G HN 0.260 nan 8.290 nan 0.000 0.547 315 F N 0.928 120.713 119.950 -0.274 0.000 2.075 315 F HA -0.018 4.509 4.527 -0.001 0.000 0.297 315 F C 2.570 178.245 175.800 -0.210 0.000 1.113 315 F CA 1.752 59.645 58.000 -0.178 0.000 1.218 315 F CB -0.173 38.994 39.000 0.278 0.000 0.984 315 F HN 0.093 nan 8.300 nan 0.000 0.472 316 M N 0.715 120.200 119.600 -0.191 0.000 2.213 316 M HA -0.061 4.418 4.480 -0.001 0.000 0.263 316 M C 2.315 178.440 176.300 -0.292 0.000 1.062 316 M CA 1.650 56.801 55.300 -0.247 0.000 1.105 316 M CB -1.310 31.275 32.600 -0.025 0.000 1.385 316 M HN 0.287 nan 8.290 nan 0.000 0.417 317 A N -1.478 121.166 122.820 -0.293 0.000 1.930 317 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 317 A C 2.254 179.638 177.584 -0.334 0.000 1.175 317 A CA 1.831 53.704 52.037 -0.274 0.000 0.627 317 A CB -1.073 17.771 19.000 -0.259 0.000 0.815 317 A HN 0.659 nan 8.150 nan 0.000 0.443 318 H N 0.184 118.875 119.070 -0.632 0.000 2.333 318 H HA -0.101 4.455 4.556 -0.001 0.000 0.302 318 H C 2.199 177.288 175.328 -0.398 0.000 1.075 318 H CA 2.354 58.048 56.048 -0.589 0.000 1.348 318 H CB -0.185 28.989 29.762 -0.980 0.000 1.393 318 H HN 0.376 nan 8.280 nan 0.000 0.509 319 V N -0.137 119.437 119.914 -0.566 0.000 2.490 319 V HA -0.161 3.959 4.120 -0.001 0.000 0.250 319 V C 2.017 177.956 176.094 -0.258 0.000 1.061 319 V CA 2.263 64.299 62.300 -0.441 0.000 1.064 319 V CB -0.443 31.148 31.823 -0.387 0.000 0.670 319 V HN 0.314 nan 8.190 nan 0.000 0.461 320 D N 0.509 120.768 120.400 -0.234 0.000 2.097 320 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 320 D C 2.406 178.645 176.300 -0.102 0.000 0.989 320 D CA 1.915 55.832 54.000 -0.138 0.000 0.827 320 D CB -0.017 40.702 40.800 -0.134 0.000 0.966 320 D HN 0.526 nan 8.370 nan 0.000 0.456 321 R N 0.322 120.731 120.500 -0.152 0.000 2.120 321 R HA -0.093 4.246 4.340 -0.001 0.000 0.234 321 R C 2.421 178.698 176.300 -0.038 0.000 1.123 321 R CA 0.686 56.730 56.100 -0.093 0.000 0.975 321 R CB -0.375 29.857 30.300 -0.114 0.000 0.866 321 R HN 0.149 nan 8.270 nan 0.000 0.446 322 V N 0.814 120.655 119.914 -0.122 0.000 2.548 322 V HA -0.132 3.987 4.120 -0.001 0.000 0.249 322 V C 1.889 178.181 176.094 0.330 0.000 1.055 322 V CA 1.397 63.744 62.300 0.077 0.000 1.065 322 V CB -0.190 31.623 31.823 -0.016 0.000 0.681 322 V HN 0.225 nan 8.190 nan 0.000 0.462 323 I N 0.519 121.203 120.570 0.190 0.000 2.179 323 I HA -0.196 3.974 4.170 -0.001 0.000 0.242 323 I C 2.403 178.702 176.117 0.303 0.000 1.088 323 I CA 2.069 63.532 61.300 0.272 0.000 1.357 323 I CB -0.609 37.473 38.000 0.137 0.000 1.051 323 I HN 0.313 nan 8.210 nan 0.000 0.409 324 D N 0.600 121.102 120.400 0.169 0.000 2.133 324 D HA -0.242 4.397 4.640 -0.001 0.000 0.195 324 D C 1.886 178.259 176.300 0.121 0.000 0.997 324 D CA 1.384 55.451 54.000 0.112 0.000 0.840 324 D CB -0.368 40.467 40.800 0.059 0.000 0.947 324 D HN 0.300 nan 8.370 nan 0.000 0.452 325 F N 0.185 120.163 119.950 0.046 0.000 2.084 325 F HA -0.230 4.297 4.527 -0.001 0.000 0.296 325 F C 2.100 177.886 175.800 -0.024 0.000 1.111 325 F CA 1.324 59.309 58.000 -0.025 0.000 1.224 325 F CB -0.590 38.355 39.000 -0.093 0.000 0.991 325 F HN -0.061 nan 8.300 nan 0.000 0.471 326 Y N -0.374 119.985 120.300 0.098 0.000 2.333 326 Y HA -0.186 4.363 4.550 -0.000 0.000 0.290 326 Y C 3.003 178.875 175.900 -0.048 0.000 1.144 326 Y CA 1.639 59.818 58.100 0.131 0.000 1.228 326 Y CB -0.949 37.800 38.460 0.482 0.000 0.985 326 Y HN 0.187 nan 8.280 nan 0.000 0.542 327 S N -0.104 115.599 115.700 0.006 0.000 2.387 327 S HA -0.176 4.293 4.470 -0.001 0.000 0.226 327 S C 1.720 176.073 174.600 -0.413 0.000 1.026 327 S CA 1.597 59.528 58.200 -0.449 0.000 0.972 327 S CB -0.401 62.678 63.200 -0.202 0.000 0.814 327 S HN 0.590 nan 8.310 nan 0.000 0.477 328 N N 0.273 118.789 118.700 -0.307 0.000 2.188 328 N HA -0.059 4.681 4.740 -0.001 0.000 0.184 328 N C 2.023 177.303 175.510 -0.384 0.000 1.018 328 N CA 1.084 53.947 53.050 -0.312 0.000 0.858 328 N CB -0.048 38.285 38.487 -0.257 0.000 0.989 328 N HN 0.348 nan 8.380 nan 0.000 0.426 329 Q N 1.167 120.680 119.800 -0.479 0.000 2.084 329 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 329 Q C 1.904 177.604 176.000 -0.500 0.000 0.978 329 Q CA 1.150 56.719 55.803 -0.389 0.000 0.844 329 Q CB -0.274 28.285 28.738 -0.299 0.000 0.898 329 Q HN 0.407 nan 8.270 nan 0.000 0.426 330 K N 0.787 120.708 120.400 -0.800 0.000 2.009 330 K HA -0.198 4.122 4.320 -0.001 0.000 0.210 330 K C 1.425 177.616 176.600 -0.682 0.000 1.049 330 K CA 1.729 57.286 56.287 -1.216 0.000 0.929 330 K CB 0.030 31.792 32.500 -1.229 0.000 0.714 330 K HN 0.056 nan 8.250 nan 0.000 0.440 331 D N 0.243 120.344 120.400 -0.499 0.000 2.123 331 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 331 D C 1.732 177.857 176.300 -0.292 0.000 0.992 331 D CA 1.470 55.270 54.000 -0.333 0.000 0.833 331 D CB -0.213 40.429 40.800 -0.263 0.000 0.954 331 D HN 0.397 nan 8.370 nan 0.000 0.455 332 A N 0.458 123.099 122.820 -0.298 0.000 1.929 332 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 332 A C 2.286 179.710 177.584 -0.268 0.000 1.176 332 A CA 0.563 52.460 52.037 -0.234 0.000 0.628 332 A CB -0.539 18.350 19.000 -0.185 0.000 0.816 332 A HN 0.258 nan 8.150 nan 0.000 0.444 333 I N -0.998 119.377 120.570 -0.325 0.000 2.406 333 I HA -0.143 4.027 4.170 -0.001 0.000 0.249 333 I C 1.948 177.762 176.117 -0.505 0.000 1.122 333 I CA 0.675 61.753 61.300 -0.370 0.000 1.431 333 I CB 0.029 37.918 38.000 -0.185 0.000 1.087 333 I HN 0.190 nan 8.210 nan 0.000 0.424 334 L N 1.029 122.012 121.223 -0.399 0.000 2.042 334 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 334 L C 2.720 179.435 176.870 -0.259 0.000 1.076 334 L CA 2.226 56.887 54.840 -0.299 0.000 0.749 334 L CB -1.638 40.319 42.059 -0.170 0.000 0.893 334 L HN 0.279 nan 8.230 nan 0.000 0.432 335 A N -0.957 121.718 122.820 -0.243 0.000 1.902 335 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 335 A C 2.488 179.930 177.584 -0.236 0.000 1.181 335 A CA 1.731 53.654 52.037 -0.191 0.000 0.623 335 A CB -0.798 18.106 19.000 -0.160 0.000 0.818 335 A HN 0.402 nan 8.150 nan 0.000 0.443 336 A N -0.020 122.596 122.820 -0.340 0.000 1.877 336 A HA 0.147 4.466 4.320 -0.001 0.000 0.216 336 A C 2.536 179.814 177.584 -0.511 0.000 1.186 336 A CA 2.187 53.995 52.037 -0.381 0.000 0.620 336 A CB -1.124 17.548 19.000 -0.547 0.000 0.822 336 A HN 1.075 nan 8.150 nan 0.000 0.443 337 A N -0.051 122.237 122.820 -0.888 0.000 1.883 337 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 337 A C 1.830 179.299 177.584 -0.192 0.000 1.186 337 A CA 1.962 53.544 52.037 -0.759 0.000 0.624 337 A CB -0.658 17.503 19.000 -1.399 0.000 0.822 337 A HN 0.492 nan 8.150 nan 0.000 0.444 338 D N -0.641 119.742 120.400 -0.028 0.000 2.117 338 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 338 D C 1.914 178.219 176.300 0.008 0.000 0.987 338 D CA 1.554 55.650 54.000 0.160 0.000 0.829 338 D CB -0.234 40.617 40.800 0.084 0.000 0.961 338 D HN 0.581 nan 8.370 nan 0.000 0.460 339 K N -0.549 119.759 120.400 -0.153 0.000 2.009 339 K HA -0.174 4.146 4.320 -0.001 0.000 0.210 339 K C 1.876 178.189 176.600 -0.480 0.000 1.049 339 K CA 1.478 57.527 56.287 -0.396 0.000 0.929 339 K CB -0.063 32.093 32.500 -0.574 0.000 0.714 339 K HN 0.185 nan 8.250 nan 0.000 0.440 340 W N -0.326 121.001 121.300 0.044 0.000 2.808 340 W HA 0.220 4.880 4.660 -0.001 0.000 0.266 340 W C -0.330 176.265 176.519 0.127 0.000 1.247 340 W CA -0.964 56.435 57.345 0.089 0.000 1.440 340 W CB 0.474 30.011 29.460 0.128 0.000 1.040 340 W HN -0.063 nan 8.180 nan 0.000 0.606 341 L N 0.308 121.753 121.223 0.369 0.000 2.322 341 L HA 0.391 4.731 4.340 -0.001 0.000 0.279 341 L C 0.822 177.920 176.870 0.380 0.000 1.036 341 L CA 0.511 55.581 54.840 0.384 0.000 0.807 341 L CB 1.626 43.924 42.059 0.399 0.000 1.226 341 L HN -0.272 nan 8.230 nan 0.000 0.433 342 T N 0.279 114.995 114.554 0.270 0.000 2.986 342 T HA 0.285 4.635 4.350 -0.001 0.000 0.264 342 T C 0.931 175.676 174.700 0.076 0.000 0.964 342 T CA 0.440 62.630 62.100 0.149 0.000 0.895 342 T CB 0.423 69.367 68.868 0.128 0.000 1.163 342 T HN 0.883 nan 8.240 nan 0.000 0.517 343 G N 1.331 110.161 108.800 0.051 0.000 2.141 343 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.231 343 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.231 343 G C 0.567 175.491 174.900 0.040 0.000 0.984 343 G CA 0.226 45.333 45.100 0.012 0.000 0.660 343 G HN 0.394 nan 8.290 nan 0.000 0.525 344 L N 0.011 121.292 121.223 0.097 0.000 2.408 344 L HA 0.793 5.133 4.340 -0.001 0.000 0.215 344 L C 1.491 178.422 176.870 0.101 0.000 1.081 344 L CA 1.792 56.692 54.840 0.100 0.000 0.840 344 L CB 0.017 42.159 42.059 0.139 0.000 1.002 344 L HN 1.049 nan 8.230 nan 0.000 0.468 345 A N -1.338 121.580 122.820 0.163 0.000 2.599 345 A HA 0.732 5.052 4.320 -0.001 0.000 0.290 345 A C -1.250 176.409 177.584 0.124 0.000 1.101 345 A CA -0.580 51.570 52.037 0.189 0.000 0.674 345 A CB 1.127 20.329 19.000 0.336 0.000 1.277 345 A HN 0.060 nan 8.150 nan 0.000 0.419 346 E N -0.657 119.579 120.200 0.059 0.000 2.340 346 E HA 0.649 4.998 4.350 -0.001 0.000 0.273 346 E C -1.613 175.010 176.600 0.039 0.000 0.891 346 E CA -0.373 55.886 56.400 -0.235 0.000 0.757 346 E CB 2.178 31.732 29.700 -0.245 0.000 1.231 346 E HN 0.759 nan 8.360 nan 0.000 0.439 347 W N 0.163 121.408 121.300 -0.091 0.000 3.363 347 W HA 0.462 5.121 4.660 -0.001 0.000 0.306 347 W C -1.162 175.288 176.519 -0.115 0.000 1.253 347 W CA -0.777 56.542 57.345 -0.044 0.000 1.195 347 W CB 0.444 29.954 29.460 0.082 0.000 1.366 347 W HN 0.361 nan 8.180 nan 0.000 0.551 348 H N 1.449 120.732 119.070 0.355 0.000 2.482 348 H HA 0.363 4.919 4.556 -0.001 0.000 0.344 348 H C 0.050 175.588 175.328 0.350 0.000 1.151 348 H CA -0.783 55.420 56.048 0.258 0.000 1.300 348 H CB 2.363 32.257 29.762 0.220 0.000 1.494 348 H HN 0.498 nan 8.280 nan 0.000 0.542 349 V N 4.400 124.544 119.914 0.382 0.000 2.529 349 V HA 0.079 4.199 4.120 -0.001 0.000 0.292 349 V C -2.096 174.167 176.094 0.281 0.000 1.028 349 V CA -1.156 61.316 62.300 0.286 0.000 1.074 349 V CB 0.253 32.184 31.823 0.179 0.000 0.958 349 V HN 0.610 nan 8.190 nan 0.000 0.481 350 P HA 0.198 nan 4.420 nan 0.000 0.267 350 P C 0.086 177.619 177.300 0.387 0.000 1.205 350 P CA 0.241 63.554 63.100 0.355 0.000 0.765 350 P CB 1.099 33.101 31.700 0.503 0.000 0.828 351 A N 2.449 125.432 122.820 0.271 0.000 2.147 351 A HA 0.544 4.864 4.320 -0.001 0.000 0.211 351 A C 0.828 178.433 177.584 0.034 0.000 1.160 351 A CA 1.214 53.382 52.037 0.219 0.000 0.781 351 A CB -0.149 18.909 19.000 0.096 0.000 0.842 351 A HN 0.632 nan 8.150 nan 0.000 0.475 352 A N -3.329 119.420 122.820 -0.118 0.000 2.564 352 A HA 0.673 4.993 4.320 -0.001 0.000 0.291 352 A C 0.534 177.898 177.584 -0.366 0.000 1.102 352 A CA 0.071 51.724 52.037 -0.640 0.000 0.660 352 A CB -0.291 18.477 19.000 -0.387 0.000 1.283 352 A HN 2.069 nan 8.150 nan 0.000 0.430 353 G N -0.615 107.899 108.800 -0.476 0.000 2.499 353 G HA2 0.139 4.099 3.960 -0.001 0.000 0.232 353 G HA3 0.139 4.099 3.960 -0.001 0.000 0.232 353 G C 0.429 175.085 174.900 -0.407 0.000 1.251 353 G CA 0.971 45.770 45.100 -0.503 0.000 0.917 353 G HN 2.365 nan 8.290 nan 0.000 0.580 354 M N -2.046 117.024 119.600 -0.884 0.000 2.621 354 M HA 0.648 5.127 4.480 -0.001 0.000 0.421 354 M C -0.690 174.492 176.300 -1.864 0.000 1.180 354 M CA -0.177 54.248 55.300 -1.459 0.000 0.875 354 M CB 0.658 32.669 32.600 -0.983 0.000 1.572 354 M HN 0.330 nan 8.290 nan 0.000 0.541 355 F N 1.533 121.140 119.950 -0.571 0.000 2.551 355 F HA 0.707 5.233 4.527 -0.000 0.000 0.316 355 F C -0.748 175.229 175.800 0.296 0.000 1.089 355 F CA -1.249 56.661 58.000 -0.149 0.000 0.915 355 F CB 1.736 40.660 39.000 -0.127 0.000 1.186 355 F HN -0.040 nan 8.300 nan 0.000 0.456 356 L N 3.632 125.217 121.223 0.604 0.000 2.295 356 L HA 0.397 4.737 4.340 -0.001 0.000 0.285 356 L C -1.270 175.910 176.870 0.517 0.000 1.035 356 L CA -0.657 54.496 54.840 0.522 0.000 0.806 356 L CB 1.024 43.328 42.059 0.409 0.000 1.214 356 L HN 0.752 nan 8.230 nan 0.000 0.426 357 W N 8.143 129.603 121.300 0.266 0.000 2.329 357 W HA 0.518 5.178 4.660 -0.001 0.000 0.312 357 W C -1.467 175.267 176.519 0.359 0.000 1.054 357 W CA -0.892 56.596 57.345 0.239 0.000 1.245 357 W CB 1.329 30.886 29.460 0.161 0.000 1.255 357 W HN 0.393 nan 8.180 nan 0.000 0.436 358 I N 6.273 126.916 120.570 0.121 0.000 2.362 358 I HA 0.184 4.354 4.170 -0.001 0.000 0.289 358 I C 0.082 176.122 176.117 -0.127 0.000 0.994 358 I CA -0.645 60.724 61.300 0.116 0.000 1.158 358 I CB 1.824 39.890 38.000 0.110 0.000 1.315 358 I HN 0.247 nan 8.210 nan 0.000 0.451 359 K N 6.319 126.622 120.400 -0.162 0.000 2.262 359 K HA 0.433 4.753 4.320 -0.001 0.000 0.282 359 K C -0.907 175.527 176.600 -0.277 0.000 1.066 359 K CA -0.489 55.453 56.287 -0.575 0.000 0.901 359 K CB 0.993 33.102 32.500 -0.651 0.000 1.089 359 K HN 0.392 nan 8.250 nan 0.000 0.476 360 V N 5.694 125.440 119.914 -0.279 0.000 2.488 360 V HA 0.100 4.220 4.120 -0.001 0.000 0.277 360 V C 0.320 176.331 176.094 -0.138 0.000 1.046 360 V CA -0.374 61.843 62.300 -0.137 0.000 0.986 360 V CB 0.863 32.620 31.823 -0.111 0.000 0.989 360 V HN 0.742 nan 8.190 nan 0.000 0.475 361 K N 3.220 123.574 120.400 -0.077 0.000 2.270 361 K HA 0.422 4.742 4.320 -0.001 0.000 0.276 361 K C 1.197 177.764 176.600 -0.056 0.000 1.023 361 K CA 0.530 56.775 56.287 -0.071 0.000 0.955 361 K CB 0.939 33.412 32.500 -0.045 0.000 0.975 361 K HN 1.057 nan 8.250 nan 0.000 0.471 362 G N 2.126 110.892 108.800 -0.056 0.000 2.168 362 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 362 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 362 G C -0.003 174.872 174.900 -0.041 0.000 0.997 362 G CA 0.050 45.125 45.100 -0.041 0.000 0.708 362 G HN 0.558 nan 8.290 nan 0.000 0.520 363 I N 0.098 120.634 120.570 -0.057 0.000 2.512 363 I HA 0.220 4.389 4.170 -0.001 0.000 0.287 363 I C 0.925 177.004 176.117 -0.063 0.000 1.069 363 I CA -0.458 60.811 61.300 -0.052 0.000 1.056 363 I CB 1.701 39.670 38.000 -0.051 0.000 1.229 363 I HN 0.227 nan 8.210 nan 0.000 0.429 364 N N 3.342 122.013 118.700 -0.047 0.000 2.395 364 N HA -0.035 4.705 4.740 -0.001 0.000 0.175 364 N C -0.035 175.450 175.510 -0.042 0.000 1.029 364 N CA 0.273 53.294 53.050 -0.047 0.000 0.897 364 N CB 0.487 38.953 38.487 -0.035 0.000 0.991 364 N HN 0.627 nan 8.380 nan 0.000 0.441 365 D N -1.097 119.284 120.400 -0.033 0.000 2.896 365 D HA 0.140 4.779 4.640 -0.001 0.000 0.241 365 D C -0.758 175.531 176.300 -0.019 0.000 1.188 365 D CA -0.824 53.164 54.000 -0.020 0.000 0.879 365 D CB 2.308 43.102 40.800 -0.010 0.000 1.553 365 D HN -0.065 nan 8.370 nan 0.000 0.515 366 V N 4.260 124.168 119.914 -0.011 0.000 3.542 366 V HA 0.191 4.311 4.120 -0.001 0.000 0.296 366 V C 1.628 177.724 176.094 0.002 0.000 1.364 366 V CA 0.461 62.752 62.300 -0.015 0.000 1.118 366 V CB -0.375 31.429 31.823 -0.030 0.000 0.972 366 V HN 0.540 nan 8.190 nan 0.000 0.430 367 K N 0.270 120.677 120.400 0.011 0.000 2.025 367 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 367 K C 1.967 178.569 176.600 0.004 0.000 1.049 367 K CA 1.908 58.204 56.287 0.016 0.000 0.933 367 K CB 0.048 32.559 32.500 0.019 0.000 0.714 367 K HN 0.407 nan 8.250 nan 0.000 0.438 368 E N 0.530 120.729 120.200 -0.002 0.000 2.058 368 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 368 E C 1.735 178.329 176.600 -0.011 0.000 0.997 368 E CA 1.016 57.412 56.400 -0.006 0.000 0.801 368 E CB -0.291 29.404 29.700 -0.009 0.000 0.746 368 E HN 0.209 nan 8.360 nan 0.000 0.450 369 L N 0.062 121.276 121.223 -0.016 0.000 2.043 369 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 369 L C 1.702 178.557 176.870 -0.025 0.000 1.075 369 L CA 1.725 56.551 54.840 -0.024 0.000 0.752 369 L CB -0.219 41.822 42.059 -0.030 0.000 0.891 369 L HN 0.150 nan 8.230 nan 0.000 0.432 370 I N -0.929 119.631 120.570 -0.017 0.000 2.685 370 I HA -0.081 4.089 4.170 -0.001 0.000 0.251 370 I C 2.426 178.540 176.117 -0.005 0.000 1.102 370 I CA 1.087 62.379 61.300 -0.014 0.000 1.442 370 I CB -1.212 36.788 38.000 0.000 0.000 1.194 370 I HN 0.405 nan 8.210 nan 0.000 0.448 371 E N 1.311 121.512 120.200 0.002 0.000 2.110 371 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 371 E C 1.640 178.239 176.600 -0.002 0.000 0.988 371 E CA 1.475 57.878 56.400 0.004 0.000 0.804 371 E CB 0.337 30.041 29.700 0.007 0.000 0.745 371 E HN 0.559 nan 8.360 nan 0.000 0.458 372 E N -0.320 119.876 120.200 -0.006 0.000 2.134 372 E HA 0.029 4.379 4.350 -0.001 0.000 0.194 372 E C 2.199 178.791 176.600 -0.013 0.000 0.937 372 E CA 0.018 56.413 56.400 -0.008 0.000 0.874 372 E CB 0.170 29.865 29.700 -0.008 0.000 0.853 372 E HN 0.042 nan 8.360 nan 0.000 0.471 373 K N 1.123 121.512 120.400 -0.018 0.000 2.007 373 K HA 0.037 4.357 4.320 -0.001 0.000 0.206 373 K C 2.249 178.831 176.600 -0.030 0.000 1.047 373 K CA 1.034 57.307 56.287 -0.024 0.000 0.937 373 K CB -0.101 32.383 32.500 -0.026 0.000 0.718 373 K HN 0.003 nan 8.250 nan 0.000 0.438 374 A N 1.686 124.485 122.820 -0.035 0.000 1.898 374 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 374 A C 2.436 179.999 177.584 -0.034 0.000 1.181 374 A CA 1.732 53.742 52.037 -0.045 0.000 0.620 374 A CB -0.961 18.006 19.000 -0.056 0.000 0.819 374 A HN 0.214 nan 8.150 nan 0.000 0.442 375 V N -1.761 118.140 119.914 -0.021 0.000 2.392 375 V HA -0.273 3.846 4.120 -0.001 0.000 0.249 375 V C 1.985 178.071 176.094 -0.015 0.000 1.059 375 V CA 2.479 64.771 62.300 -0.013 0.000 1.051 375 V CB -0.880 30.940 31.823 -0.005 0.000 0.658 375 V HN 0.487 nan 8.190 nan 0.000 0.455 376 K N -0.510 119.879 120.400 -0.017 0.000 2.148 376 K HA 0.060 4.379 4.320 -0.001 0.000 0.204 376 K C 1.918 178.505 176.600 -0.021 0.000 1.050 376 K CA 1.530 57.807 56.287 -0.016 0.000 0.942 376 K CB -0.191 32.300 32.500 -0.016 0.000 0.724 376 K HN 0.457 nan 8.250 nan 0.000 0.446 377 M N -0.196 119.386 119.600 -0.029 0.000 2.568 377 M HA 0.088 4.567 4.480 -0.001 0.000 0.226 377 M C 0.634 176.913 176.300 -0.036 0.000 1.148 377 M CA 0.435 55.713 55.300 -0.037 0.000 1.007 377 M CB 0.182 32.751 32.600 -0.051 0.000 1.651 377 M HN 0.314 nan 8.290 nan 0.000 0.488 378 G N 1.939 110.723 108.800 -0.026 0.000 2.198 378 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.257 378 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.257 378 G C -0.033 174.854 174.900 -0.022 0.000 1.042 378 G CA 0.351 45.440 45.100 -0.019 0.000 0.791 378 G HN 0.563 nan 8.290 nan 0.000 0.502 379 V N -2.573 117.322 119.914 -0.032 0.000 2.577 379 V HA 0.848 4.968 4.120 -0.001 0.000 0.303 379 V C 0.013 176.087 176.094 -0.034 0.000 1.042 379 V CA -1.471 60.805 62.300 -0.041 0.000 0.872 379 V CB 2.166 33.944 31.823 -0.076 0.000 0.998 379 V HN 0.323 nan 8.190 nan 0.000 0.423 380 L N 5.860 127.074 121.223 -0.015 0.000 2.325 380 L HA 0.710 5.050 4.340 -0.001 0.000 0.281 380 L C -0.236 176.638 176.870 0.008 0.000 1.004 380 L CA -0.407 54.435 54.840 0.004 0.000 0.823 380 L CB 1.893 43.969 42.059 0.029 0.000 1.236 380 L HN 0.629 nan 8.230 nan 0.000 0.415 381 M N 3.313 122.915 119.600 0.003 0.000 2.727 381 M HA 0.488 4.968 4.480 -0.001 0.000 0.300 381 M C -1.214 175.132 176.300 0.077 0.000 1.246 381 M CA -1.023 54.296 55.300 0.032 0.000 0.835 381 M CB 2.890 35.472 32.600 -0.029 0.000 1.755 381 M HN 0.257 nan 8.290 nan 0.000 0.473 382 L N 3.007 124.312 121.223 0.136 0.000 2.265 382 L HA 0.508 4.848 4.340 -0.001 0.000 0.289 382 L C -2.415 174.595 176.870 0.234 0.000 1.033 382 L CA -1.494 53.459 54.840 0.189 0.000 0.814 382 L CB 0.958 43.172 42.059 0.258 0.000 1.203 382 L HN 0.263 nan 8.230 nan 0.000 0.423 383 P HA 0.126 nan 4.420 nan 0.000 0.267 383 P C 0.546 178.077 177.300 0.385 0.000 1.200 383 P CA 0.032 63.256 63.100 0.206 0.000 0.772 383 P CB 0.657 32.435 31.700 0.131 0.000 0.855 384 G N 2.049 111.112 108.800 0.439 0.000 2.572 384 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 384 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 384 G C 1.040 176.411 174.900 0.785 0.000 1.133 384 G CA 0.187 45.780 45.100 0.822 0.000 0.791 384 G HN 0.462 nan 8.290 nan 0.000 0.538 385 N N 1.809 120.768 118.700 0.431 0.000 2.132 385 N HA -0.151 4.588 4.740 -0.001 0.000 0.191 385 N C 2.241 177.891 175.510 0.233 0.000 1.015 385 N CA 1.474 54.706 53.050 0.305 0.000 0.864 385 N CB -0.337 38.230 38.487 0.134 0.000 1.006 385 N HN 0.318 nan 8.380 nan 0.000 0.430 386 A N -0.236 122.586 122.820 0.003 0.000 2.125 386 A HA -0.032 4.288 4.320 -0.001 0.000 0.219 386 A C 1.081 178.340 177.584 -0.541 0.000 1.156 386 A CA 0.884 52.696 52.037 -0.375 0.000 0.671 386 A CB -0.691 17.886 19.000 -0.707 0.000 0.794 386 A HN 0.339 nan 8.150 nan 0.000 0.459 387 F N -2.239 117.719 119.950 0.012 0.000 2.660 387 F HA 0.305 4.832 4.527 -0.000 0.000 0.302 387 F C -0.179 175.339 175.800 -0.469 0.000 1.103 387 F CA -0.283 57.567 58.000 -0.251 0.000 1.340 387 F CB -0.037 38.731 39.000 -0.385 0.000 1.048 387 F HN 0.103 nan 8.300 nan 0.000 0.551 388 Y N -1.674 118.673 120.300 0.078 0.000 2.468 388 Y HA 0.349 4.899 4.550 -0.001 0.000 0.342 388 Y C 1.053 176.945 175.900 -0.012 0.000 1.021 388 Y CA -1.181 56.952 58.100 0.055 0.000 1.079 388 Y CB 1.324 39.836 38.460 0.087 0.000 1.226 388 Y HN -0.291 nan 8.280 nan 0.000 0.460 389 V N -0.091 119.896 119.914 0.122 0.000 2.287 389 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 389 V C 0.527 176.640 176.094 0.032 0.000 1.053 389 V CA 2.015 64.337 62.300 0.036 0.000 1.027 389 V CB -0.328 31.514 31.823 0.031 0.000 0.646 389 V HN 0.739 nan 8.190 nan 0.000 0.447 390 D N -0.075 120.372 120.400 0.078 0.000 2.441 390 D HA 0.154 4.794 4.640 -0.001 0.000 0.221 390 D C 1.187 177.524 176.300 0.063 0.000 1.156 390 D CA 0.505 54.532 54.000 0.044 0.000 0.896 390 D CB 0.969 41.788 40.800 0.032 0.000 1.028 390 D HN 0.320 nan 8.370 nan 0.000 0.509 391 S N 1.278 116.996 115.700 0.030 0.000 2.562 391 S HA -0.097 4.372 4.470 -0.001 0.000 0.221 391 S C 1.688 176.298 174.600 0.017 0.000 0.975 391 S CA 0.438 58.663 58.200 0.041 0.000 0.918 391 S CB -0.212 62.981 63.200 -0.011 0.000 0.772 391 S HN 0.341 nan 8.310 nan 0.000 0.531 392 S N 1.505 117.205 115.700 -0.000 0.000 2.461 392 S HA 0.416 4.886 4.470 -0.001 0.000 0.228 392 S C 0.948 175.543 174.600 -0.008 0.000 1.005 392 S CA 0.088 58.285 58.200 -0.006 0.000 0.942 392 S CB -0.588 62.605 63.200 -0.011 0.000 0.776 392 S HN 0.750 nan 8.310 nan 0.000 0.514 393 A N 3.084 125.895 122.820 -0.015 0.000 2.425 393 A HA 0.551 4.871 4.320 -0.001 0.000 0.249 393 A C -2.390 175.168 177.584 -0.044 0.000 1.084 393 A CA -1.386 50.629 52.037 -0.037 0.000 0.781 393 A CB -0.527 18.435 19.000 -0.063 0.000 1.019 393 A HN 0.279 nan 8.150 nan 0.000 0.490 394 P HA 0.140 nan 4.420 nan 0.000 0.266 394 P C -0.419 176.855 177.300 -0.043 0.000 1.195 394 P CA 0.427 63.508 63.100 -0.030 0.000 0.768 394 P CB 0.752 32.435 31.700 -0.029 0.000 0.838 395 S N 3.085 118.785 115.700 -0.000 0.000 2.594 395 S HA 0.482 4.952 4.470 -0.001 0.000 0.296 395 S C -2.255 172.365 174.600 0.032 0.000 1.124 395 S CA -1.756 56.475 58.200 0.052 0.000 1.011 395 S CB 1.175 64.475 63.200 0.168 0.000 1.016 395 S HN 0.243 nan 8.310 nan 0.000 0.485 396 P HA 0.159 nan 4.420 nan 0.000 0.253 396 P C -0.687 176.417 177.300 -0.327 0.000 1.260 396 P CA 0.057 63.040 63.100 -0.195 0.000 0.800 396 P CB -0.232 31.290 31.700 -0.298 0.000 1.162 397 Y N -0.126 120.046 120.300 -0.212 0.000 2.457 397 Y HA 0.483 5.033 4.550 -0.001 0.000 0.333 397 Y C 0.729 176.390 175.900 -0.398 0.000 1.119 397 Y CA -0.837 56.949 58.100 -0.524 0.000 1.143 397 Y CB 1.638 39.431 38.460 -1.112 0.000 1.230 397 Y HN -0.289 nan 8.280 nan 0.000 0.469 398 L N 3.142 124.216 121.223 -0.250 0.000 2.385 398 L HA 0.526 4.866 4.340 -0.001 0.000 0.273 398 L C -0.434 176.483 176.870 0.078 0.000 0.990 398 L CA -0.854 53.962 54.840 -0.039 0.000 0.821 398 L CB 2.019 44.054 42.059 -0.040 0.000 1.279 398 L HN 0.517 nan 8.230 nan 0.000 0.412 399 R N 2.496 123.174 120.500 0.296 0.000 2.265 399 R HA 0.680 5.019 4.340 -0.001 0.000 0.314 399 R C -0.753 175.702 176.300 0.259 0.000 1.053 399 R CA -0.250 56.061 56.100 0.352 0.000 0.931 399 R CB 1.252 31.669 30.300 0.195 0.000 1.024 399 R HN 0.717 nan 8.270 nan 0.000 0.457 400 A N 3.132 126.138 122.820 0.311 0.000 2.330 400 A HA 0.316 4.636 4.320 -0.001 0.000 0.313 400 A C -0.633 177.196 177.584 0.408 0.000 1.124 400 A CA -0.526 51.691 52.037 0.300 0.000 0.774 400 A CB 1.790 20.944 19.000 0.257 0.000 1.198 400 A HN 0.646 nan 8.150 nan 0.000 0.465 401 S N 1.182 117.102 115.700 0.366 0.000 2.537 401 S HA 0.522 4.991 4.470 -0.001 0.000 0.275 401 S C 0.169 174.891 174.600 0.204 0.000 1.272 401 S CA -0.413 57.936 58.200 0.249 0.000 1.050 401 S CB -0.130 63.214 63.200 0.240 0.000 0.961 401 S HN 1.010 nan 8.310 nan 0.000 0.496 402 F N 2.630 122.641 119.950 0.101 0.000 2.654 402 F HA 0.320 4.846 4.527 -0.000 0.000 0.303 402 F C 1.704 177.525 175.800 0.035 0.000 1.099 402 F CA -0.166 57.868 58.000 0.056 0.000 1.270 402 F CB -0.837 38.170 39.000 0.012 0.000 1.024 402 F HN 0.543 nan 8.300 nan 0.000 0.548 403 S N -0.248 115.470 115.700 0.031 0.000 2.399 403 S HA -0.131 4.339 4.470 -0.001 0.000 0.231 403 S C 1.512 176.197 174.600 0.142 0.000 1.022 403 S CA 1.550 59.828 58.200 0.129 0.000 0.983 403 S CB -0.613 62.702 63.200 0.192 0.000 0.803 403 S HN 0.376 nan 8.310 nan 0.000 0.480 404 S N 0.497 116.282 115.700 0.141 0.000 2.663 404 S HA 0.590 5.060 4.470 -0.001 0.000 0.247 404 S C 0.637 175.313 174.600 0.126 0.000 1.074 404 S CA 0.000 58.289 58.200 0.149 0.000 0.955 404 S CB 0.283 63.556 63.200 0.120 0.000 0.901 404 S HN 0.757 nan 8.310 nan 0.000 0.505 405 A N 3.001 125.890 122.820 0.116 0.000 2.462 405 A HA 0.572 4.892 4.320 -0.001 0.000 0.243 405 A C 0.744 178.372 177.584 0.074 0.000 1.076 405 A CA -0.274 51.822 52.037 0.099 0.000 0.773 405 A CB 0.048 19.119 19.000 0.118 0.000 1.010 405 A HN 0.471 nan 8.150 nan 0.000 0.493 406 S N 2.429 118.166 115.700 0.062 0.000 2.600 406 S HA 0.297 4.767 4.470 -0.001 0.000 0.265 406 S C -1.855 172.763 174.600 0.029 0.000 1.325 406 S CA -0.582 57.643 58.200 0.041 0.000 1.002 406 S CB 0.267 63.491 63.200 0.041 0.000 0.921 406 S HN 0.454 nan 8.310 nan 0.000 0.554 407 P HA -0.072 nan 4.420 nan 0.000 0.216 407 P C 1.046 178.364 177.300 0.030 0.000 1.150 407 P CA 1.260 64.359 63.100 -0.002 0.000 0.837 407 P CB -0.030 31.657 31.700 -0.021 0.000 0.786 408 E N -0.077 120.144 120.200 0.035 0.000 2.077 408 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 408 E C 2.193 178.827 176.600 0.056 0.000 0.989 408 E CA 1.374 57.802 56.400 0.046 0.000 0.800 408 E CB -0.908 28.814 29.700 0.037 0.000 0.746 408 E HN 0.509 nan 8.360 nan 0.000 0.452 409 Q N 0.007 119.840 119.800 0.055 0.000 2.245 409 Q HA -0.060 4.280 4.340 -0.001 0.000 0.201 409 Q C 2.019 178.077 176.000 0.097 0.000 0.955 409 Q CA 1.026 56.866 55.803 0.061 0.000 0.870 409 Q CB -0.241 28.529 28.738 0.054 0.000 0.945 409 Q HN 0.281 nan 8.270 nan 0.000 0.461 410 M N 1.285 120.957 119.600 0.120 0.000 2.117 410 M HA -0.153 4.327 4.480 -0.001 0.000 0.262 410 M C 1.661 178.113 176.300 0.255 0.000 1.065 410 M CA 2.051 57.477 55.300 0.209 0.000 1.114 410 M CB -0.201 32.463 32.600 0.107 0.000 1.361 410 M HN 0.278 nan 8.290 nan 0.000 0.408 411 D N -0.062 120.434 120.400 0.160 0.000 2.084 411 D HA -0.146 4.494 4.640 -0.001 0.000 0.194 411 D C 1.764 178.106 176.300 0.070 0.000 0.990 411 D CA 1.340 55.469 54.000 0.215 0.000 0.826 411 D CB 0.158 41.085 40.800 0.212 0.000 0.971 411 D HN 0.059 nan 8.370 nan 0.000 0.453 412 V N 0.750 120.677 119.914 0.021 0.000 2.287 412 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 412 V C 2.545 178.569 176.094 -0.117 0.000 1.053 412 V CA 1.868 64.120 62.300 -0.080 0.000 1.027 412 V CB -0.970 30.831 31.823 -0.037 0.000 0.646 412 V HN 0.372 nan 8.190 nan 0.000 0.447 413 A N -0.816 121.991 122.820 -0.021 0.000 1.933 413 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 413 A C 2.009 179.480 177.584 -0.188 0.000 1.175 413 A CA 1.812 53.801 52.037 -0.081 0.000 0.628 413 A CB -0.644 18.334 19.000 -0.036 0.000 0.814 413 A HN 0.491 nan 8.150 nan 0.000 0.444 414 F N 0.190 120.041 119.950 -0.165 0.000 2.293 414 F HA -0.073 4.453 4.527 -0.000 0.000 0.297 414 F C 2.717 178.281 175.800 -0.393 0.000 1.089 414 F CA 1.441 59.351 58.000 -0.151 0.000 1.377 414 F CB -0.278 38.742 39.000 0.033 0.000 1.051 414 F HN 0.480 nan 8.300 nan 0.000 0.511 415 Q N -0.384 118.951 119.800 -0.775 0.000 2.123 415 Q HA -0.089 4.251 4.340 -0.001 0.000 0.199 415 Q C 1.839 177.506 176.000 -0.555 0.000 0.966 415 Q CA 1.709 56.747 55.803 -1.274 0.000 0.845 415 Q CB -1.017 26.505 28.738 -2.026 0.000 0.907 415 Q HN 0.238 nan 8.270 nan 0.000 0.439 416 V N 1.215 120.906 119.914 -0.372 0.000 2.307 416 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 416 V C 2.346 178.333 176.094 -0.179 0.000 1.045 416 V CA 1.570 63.733 62.300 -0.229 0.000 1.024 416 V CB -0.649 31.071 31.823 -0.173 0.000 0.651 416 V HN 0.453 nan 8.190 nan 0.000 0.449 417 L N 0.145 121.250 121.223 -0.197 0.000 1.978 417 L HA -0.288 4.052 4.340 -0.001 0.000 0.218 417 L C 2.664 179.481 176.870 -0.087 0.000 1.075 417 L CA 2.388 57.129 54.840 -0.166 0.000 0.767 417 L CB -0.717 41.182 42.059 -0.267 0.000 0.890 417 L HN 0.400 nan 8.230 nan 0.000 0.434 418 A N -0.897 121.899 122.820 -0.039 0.000 1.917 418 A HA -0.334 3.986 4.320 -0.001 0.000 0.219 418 A C 2.192 179.788 177.584 0.021 0.000 1.182 418 A CA 2.184 54.254 52.037 0.055 0.000 0.633 418 A CB -0.739 18.375 19.000 0.190 0.000 0.819 418 A HN 0.687 nan 8.150 nan 0.000 0.448 419 Q N -0.488 119.292 119.800 -0.034 0.000 2.046 419 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 419 Q C 2.028 178.012 176.000 -0.026 0.000 0.975 419 Q CA 1.589 57.374 55.803 -0.030 0.000 0.836 419 Q CB -0.201 28.495 28.738 -0.069 0.000 0.896 419 Q HN 0.682 nan 8.270 nan 0.000 0.428 420 L N 0.337 121.533 121.223 -0.044 0.000 2.156 420 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 420 L C 2.421 179.275 176.870 -0.026 0.000 1.095 420 L CA 0.549 55.366 54.840 -0.038 0.000 0.770 420 L CB -0.285 41.743 42.059 -0.051 0.000 0.914 420 L HN 0.276 nan 8.230 nan 0.000 0.439 421 I N 0.033 120.589 120.570 -0.022 0.000 2.099 421 I HA -0.340 3.830 4.170 -0.001 0.000 0.239 421 I C 2.534 178.651 176.117 -0.000 0.000 1.066 421 I CA 1.600 62.894 61.300 -0.011 0.000 1.324 421 I CB -0.282 37.720 38.000 0.003 0.000 1.037 421 I HN 0.201 nan 8.210 nan 0.000 0.401 422 K N 0.478 120.885 120.400 0.012 0.000 2.147 422 K HA -0.201 4.118 4.320 -0.001 0.000 0.205 422 K C 1.893 178.497 176.600 0.006 0.000 1.049 422 K CA 1.359 57.655 56.287 0.016 0.000 0.936 422 K CB -0.156 32.363 32.500 0.031 0.000 0.722 422 K HN 0.383 nan 8.250 nan 0.000 0.446 423 E N 0.052 120.251 120.200 -0.001 0.000 2.338 423 E HA -0.071 4.279 4.350 -0.001 0.000 0.197 423 E C 1.188 177.784 176.600 -0.008 0.000 1.007 423 E CA 0.757 57.153 56.400 -0.005 0.000 0.849 423 E CB 0.235 29.928 29.700 -0.011 0.000 0.774 423 E HN 0.156 nan 8.360 nan 0.000 0.506 424 S N 0.002 115.696 115.700 -0.010 0.000 2.524 424 S HA 0.157 4.627 4.470 -0.001 0.000 0.215 424 S C 0.761 175.354 174.600 -0.011 0.000 0.986 424 S CA -0.194 57.998 58.200 -0.012 0.000 0.911 424 S CB 0.457 63.647 63.200 -0.017 0.000 0.805 424 S HN 0.057 nan 8.310 nan 0.000 0.501 425 L N 0.000 121.219 121.223 -0.007 0.000 2.949 425 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 425 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 425 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502