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 2wg0_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.653 174.600 0.088 0.000 1.055 4 S CA 0.000 58.234 58.200 0.057 0.000 1.107 4 S CB 0.000 63.234 63.200 0.056 0.000 0.593 5 E N 2.824 123.079 120.200 0.092 0.000 2.153 5 E HA -0.016 4.334 4.350 -0.001 0.000 0.194 5 E C 1.105 177.842 176.600 0.227 0.000 0.988 5 E CA 1.257 57.740 56.400 0.139 0.000 0.811 5 E CB -0.029 29.739 29.700 0.114 0.000 0.746 5 E HN 0.741 nan 8.360 nan 0.000 0.466 6 L N 0.847 122.168 121.223 0.163 0.000 2.592 6 L HA 0.155 4.495 4.340 -0.001 0.000 0.227 6 L C 0.052 177.120 176.870 0.330 0.000 1.127 6 L CA -0.411 54.521 54.840 0.153 0.000 0.884 6 L CB 0.346 42.388 42.059 -0.028 0.000 1.065 6 L HN 0.127 nan 8.230 nan 0.000 0.457 7 L N 0.600 121.990 121.223 0.279 0.000 2.313 7 L HA 0.596 4.936 4.340 -0.001 0.000 0.283 7 L C -0.674 176.292 176.870 0.160 0.000 1.013 7 L CA -0.422 54.563 54.840 0.242 0.000 0.816 7 L CB 1.716 43.857 42.059 0.137 0.000 1.236 7 L HN -0.320 nan 8.230 nan 0.000 0.419 8 V N 4.378 124.353 119.914 0.101 0.000 2.638 8 V HA 0.473 4.593 4.120 -0.001 0.000 0.306 8 V C -0.691 175.307 176.094 -0.160 0.000 1.052 8 V CA -0.802 61.388 62.300 -0.183 0.000 0.885 8 V CB 1.998 33.401 31.823 -0.699 0.000 0.999 8 V HN 0.777 nan 8.190 nan 0.000 0.424 9 N N 2.983 121.527 118.700 -0.260 0.000 2.457 9 N HA 0.496 5.236 4.740 -0.001 0.000 0.250 9 N C -0.101 175.051 175.510 -0.596 0.000 0.982 9 N CA -0.084 52.782 53.050 -0.307 0.000 0.941 9 N CB 1.417 39.733 38.487 -0.284 0.000 1.120 9 N HN 0.927 nan 8.380 nan 0.000 0.505 10 T N 0.135 114.440 114.554 -0.415 0.000 2.910 10 T HA 0.376 4.726 4.350 -0.001 0.000 0.279 10 T C 1.047 175.474 174.700 -0.454 0.000 0.989 10 T CA -0.508 61.323 62.100 -0.447 0.000 0.968 10 T CB 1.077 69.953 68.868 0.013 0.000 1.135 10 T HN 0.367 nan 8.240 nan 0.000 0.562 11 K N 0.126 120.320 120.400 -0.344 0.000 2.362 11 K HA 0.058 4.378 4.320 -0.001 0.000 0.200 11 K C 1.986 178.423 176.600 -0.271 0.000 1.046 11 K CA 0.718 56.845 56.287 -0.267 0.000 0.952 11 K CB -0.028 32.378 32.500 -0.156 0.000 0.753 11 K HN 0.408 nan 8.250 nan 0.000 0.466 12 S N -0.274 115.247 115.700 -0.298 0.000 2.517 12 S HA 0.196 4.666 4.470 -0.001 0.000 0.214 12 S C 0.459 174.316 174.600 -1.238 0.000 0.991 12 S CA 0.281 58.178 58.200 -0.505 0.000 0.906 12 S CB 0.911 64.020 63.200 -0.152 0.000 0.789 12 S HN 0.546 nan 8.310 nan 0.000 0.513 13 G N 1.099 109.372 108.800 -0.877 0.000 2.361 13 G HA2 0.100 4.060 3.960 -0.001 0.000 0.331 13 G HA3 0.100 4.060 3.960 -0.001 0.000 0.331 13 G C -1.835 172.974 174.900 -0.152 0.000 1.324 13 G CA -1.162 43.424 45.100 -0.856 0.000 0.984 13 G HN 0.102 nan 8.290 nan 0.000 0.586 14 K N -0.366 120.131 120.400 0.162 0.000 2.218 14 K HA 0.589 4.909 4.320 -0.001 0.000 0.276 14 K C 0.248 177.205 176.600 0.596 0.000 1.022 14 K CA -0.460 56.001 56.287 0.290 0.000 0.946 14 K CB 1.874 34.496 32.500 0.204 0.000 1.000 14 K HN 1.017 nan 8.250 nan 0.000 0.468 15 V N -0.218 119.986 119.914 0.483 0.000 2.735 15 V HA 0.575 4.694 4.120 -0.001 0.000 0.310 15 V C -0.782 175.616 176.094 0.507 0.000 1.061 15 V CA -1.180 61.467 62.300 0.578 0.000 0.913 15 V CB 1.638 33.860 31.823 0.664 0.000 1.005 15 V HN 0.772 nan 8.190 nan 0.000 0.428 16 M N 4.433 124.289 119.600 0.427 0.000 2.167 16 M HA 0.832 5.312 4.480 -0.001 0.000 0.333 16 M C 0.288 176.701 176.300 0.189 0.000 1.030 16 M CA 0.303 55.782 55.300 0.299 0.000 0.963 16 M CB 0.977 33.670 32.600 0.154 0.000 1.589 16 M HN 1.098 nan 8.290 nan 0.000 0.431 17 G N 1.556 110.319 108.800 -0.060 0.000 2.630 17 G HA2 0.642 4.601 3.960 -0.001 0.000 0.223 17 G HA3 0.642 4.601 3.960 -0.001 0.000 0.223 17 G C -1.063 173.626 174.900 -0.351 0.000 1.434 17 G CA -0.313 44.454 45.100 -0.556 0.000 1.057 17 G HN 0.692 nan 8.290 nan 0.000 0.570 18 T N -1.512 112.791 114.554 -0.418 0.000 2.932 18 T HA 0.496 4.846 4.350 -0.001 0.000 0.318 18 T C -0.913 173.666 174.700 -0.202 0.000 1.265 18 T CA -0.662 61.295 62.100 -0.238 0.000 1.036 18 T CB 1.586 70.345 68.868 -0.181 0.000 1.209 18 T HN 0.560 nan 8.240 nan 0.000 0.484 19 R N 2.618 123.047 120.500 -0.120 0.000 2.298 19 R HA 0.628 4.968 4.340 -0.001 0.000 0.310 19 R C -0.374 175.925 176.300 -0.002 0.000 1.068 19 R CA -0.429 55.637 56.100 -0.057 0.000 0.957 19 R CB 0.449 30.700 30.300 -0.081 0.000 1.003 19 R HN 0.541 nan 8.270 nan 0.000 0.454 20 V N 2.808 122.757 119.914 0.058 0.000 2.656 20 V HA 0.696 4.815 4.120 -0.001 0.000 0.307 20 V C -2.578 173.571 176.094 0.092 0.000 1.051 20 V CA -2.751 59.587 62.300 0.063 0.000 0.893 20 V CB 1.796 33.641 31.823 0.036 0.000 0.999 20 V HN 0.752 nan 8.190 nan 0.000 0.426 21 P HA 0.372 nan 4.420 nan 0.000 0.271 21 P C -0.795 176.379 177.300 -0.211 0.000 1.218 21 P CA 0.021 63.026 63.100 -0.158 0.000 0.780 21 P CB 1.745 33.380 31.700 -0.109 0.000 0.901 22 V N 5.243 124.951 119.914 -0.343 0.000 2.737 22 V HA 0.157 4.277 4.120 -0.001 0.000 0.298 22 V C -0.060 175.795 176.094 -0.398 0.000 1.163 22 V CA -0.900 61.206 62.300 -0.322 0.000 0.925 22 V CB 0.986 32.574 31.823 -0.391 0.000 1.037 22 V HN 0.469 nan 8.190 nan 0.000 0.433 23 L N 6.027 127.152 121.223 -0.164 0.000 4.054 23 L HA -0.262 4.077 4.340 -0.001 0.000 0.475 23 L C 1.187 177.942 176.870 -0.191 0.000 1.166 23 L CA 1.137 55.901 54.840 -0.126 0.000 0.688 23 L CB -1.903 40.142 42.059 -0.024 0.000 1.512 23 L HN 1.127 nan 8.230 nan 0.000 0.799 24 S N -3.243 112.332 115.700 -0.209 0.000 2.691 24 S HA -0.246 4.224 4.470 -0.001 0.000 0.262 24 S C 0.684 175.126 174.600 -0.264 0.000 1.284 24 S CA 1.517 59.605 58.200 -0.187 0.000 1.372 24 S CB -0.555 62.597 63.200 -0.080 0.000 1.693 24 S HN 0.804 nan 8.310 nan 0.000 0.647 25 S N -0.439 115.013 115.700 -0.413 0.000 2.694 25 S HA 0.828 5.297 4.470 -0.001 0.000 0.286 25 S C -0.789 173.407 174.600 -0.673 0.000 1.080 25 S CA -0.413 57.556 58.200 -0.385 0.000 0.953 25 S CB 0.854 63.923 63.200 -0.219 0.000 1.313 25 S HN 0.506 nan 8.310 nan 0.000 0.555 26 H N -0.662 118.334 119.070 -0.123 0.000 3.046 26 H HA 0.671 5.226 4.556 -0.001 0.000 0.361 26 H C -0.536 174.801 175.328 0.015 0.000 1.235 26 H CA -0.476 55.530 56.048 -0.069 0.000 1.146 26 H CB 1.300 31.048 29.762 -0.023 0.000 1.859 26 H HN 0.687 nan 8.280 nan 0.000 0.548 27 I N -2.290 118.384 120.570 0.173 0.000 3.354 27 I HA 0.737 4.907 4.170 -0.001 0.000 0.316 27 I C -1.024 175.185 176.117 0.154 0.000 1.182 27 I CA -1.086 60.334 61.300 0.199 0.000 0.942 27 I CB 2.436 40.587 38.000 0.251 0.000 1.299 27 I HN 0.421 nan 8.210 nan 0.000 0.473 28 S N 1.182 116.981 115.700 0.165 0.000 2.541 28 S HA 0.829 5.299 4.470 -0.001 0.000 0.283 28 S C -0.292 174.303 174.600 -0.008 0.000 1.196 28 S CA -0.571 57.647 58.200 0.030 0.000 1.062 28 S CB 1.522 64.782 63.200 0.100 0.000 1.009 28 S HN 0.869 nan 8.310 nan 0.000 0.502 29 A N 1.962 124.606 122.820 -0.294 0.000 2.356 29 A HA 0.794 5.114 4.320 -0.001 0.000 0.310 29 A C -1.342 175.900 177.584 -0.570 0.000 1.075 29 A CA -0.654 51.138 52.037 -0.409 0.000 0.746 29 A CB 0.495 19.247 19.000 -0.413 0.000 1.221 29 A HN 0.669 nan 8.150 nan 0.000 0.443 30 F N 2.738 122.536 119.950 -0.254 0.000 2.434 30 F HA 0.449 4.976 4.527 -0.001 0.000 0.367 30 F C -0.208 175.469 175.800 -0.204 0.000 1.093 30 F CA -0.282 57.657 58.000 -0.100 0.000 1.085 30 F CB 1.211 40.246 39.000 0.058 0.000 1.322 30 F HN 0.352 nan 8.300 nan 0.000 0.452 31 L N 2.036 123.216 121.223 -0.072 0.000 2.322 31 L HA 0.684 5.024 4.340 -0.001 0.000 0.279 31 L C 0.989 177.903 176.870 0.074 0.000 1.036 31 L CA -0.956 53.833 54.840 -0.085 0.000 0.807 31 L CB 1.569 43.500 42.059 -0.213 0.000 1.226 31 L HN 0.804 nan 8.230 nan 0.000 0.433 32 G N 3.104 111.979 108.800 0.125 0.000 2.272 32 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.280 32 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.280 32 G C -0.088 174.971 174.900 0.266 0.000 1.067 32 G CA -0.302 44.900 45.100 0.169 0.000 0.902 32 G HN 0.487 nan 8.290 nan 0.000 0.500 33 I N 2.003 122.616 120.570 0.071 0.000 2.471 33 I HA 0.210 4.380 4.170 -0.001 0.000 0.286 33 I C -1.347 174.558 176.117 -0.353 0.000 1.079 33 I CA -2.003 59.144 61.300 -0.255 0.000 1.398 33 I CB 0.912 38.739 38.000 -0.288 0.000 1.403 33 I HN -0.004 nan 8.210 nan 0.000 0.530 34 P HA 0.027 nan 4.420 nan 0.000 0.276 34 P C -0.232 176.670 177.300 -0.664 0.000 1.235 34 P CA 0.026 62.559 63.100 -0.944 0.000 0.772 34 P CB 0.493 31.553 31.700 -1.066 0.000 0.871 35 F N 1.213 120.789 119.950 -0.623 0.000 2.706 35 F HA 0.702 5.229 4.527 -0.001 0.000 0.308 35 F C 0.142 175.827 175.800 -0.192 0.000 1.095 35 F CA -0.785 56.933 58.000 -0.469 0.000 1.244 35 F CB 0.135 38.848 39.000 -0.478 0.000 1.063 35 F HN 0.304 nan 8.300 nan 0.000 0.582 36 A N 0.097 122.566 122.820 -0.584 0.000 2.566 36 A HA 0.604 4.923 4.320 -0.001 0.000 0.292 36 A C -0.751 176.654 177.584 -0.299 0.000 1.112 36 A CA -0.778 51.064 52.037 -0.324 0.000 0.707 36 A CB 1.000 19.787 19.000 -0.354 0.000 1.302 36 A HN 0.053 nan 8.150 nan 0.000 0.409 37 E N 1.034 121.148 120.200 -0.143 0.000 2.413 37 E HA 0.219 4.568 4.350 -0.001 0.000 0.263 37 E C -2.302 174.207 176.600 -0.152 0.000 1.015 37 E CA -1.314 55.021 56.400 -0.109 0.000 0.916 37 E CB -0.028 29.649 29.700 -0.039 0.000 0.947 37 E HN 0.231 nan 8.360 nan 0.000 0.440 38 P HA -0.005 nan 4.420 nan 0.000 0.260 38 P C -2.204 175.044 177.300 -0.087 0.000 1.185 38 P CA -0.635 62.400 63.100 -0.108 0.000 0.763 38 P CB -0.009 31.666 31.700 -0.041 0.000 0.776 39 P HA 0.012 nan 4.420 nan 0.000 0.218 39 P C -0.300 176.947 177.300 -0.088 0.000 1.793 39 P CA 0.110 63.161 63.100 -0.081 0.000 0.941 39 P CB -0.141 31.513 31.700 -0.076 0.000 1.919 40 V N -2.710 117.160 119.914 -0.074 0.000 2.850 40 V HA 0.899 5.018 4.120 -0.001 0.000 0.315 40 V C 0.935 176.987 176.094 -0.070 0.000 1.064 40 V CA 0.151 62.405 62.300 -0.077 0.000 0.979 40 V CB 0.837 32.626 31.823 -0.057 0.000 1.039 40 V HN 0.554 nan 8.190 nan 0.000 0.452 41 G N 2.880 111.635 108.800 -0.075 0.000 2.561 41 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.289 41 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.289 41 G C 0.517 175.378 174.900 -0.065 0.000 1.169 41 G CA 0.987 46.052 45.100 -0.058 0.000 0.980 41 G HN 1.078 nan 8.290 nan 0.000 0.550 42 N N 0.684 119.367 118.700 -0.028 0.000 2.573 42 N HA 0.135 4.875 4.740 -0.001 0.000 0.187 42 N C 2.202 177.705 175.510 -0.013 0.000 1.107 42 N CA 1.310 54.357 53.050 -0.005 0.000 0.918 42 N CB -0.109 38.390 38.487 0.020 0.000 0.966 42 N HN 0.522 nan 8.380 nan 0.000 0.448 43 M N -0.558 119.019 119.600 -0.038 0.000 2.502 43 M HA 0.062 4.541 4.480 -0.001 0.000 0.243 43 M C 0.522 176.772 176.300 -0.083 0.000 1.130 43 M CA -0.091 55.187 55.300 -0.037 0.000 1.055 43 M CB 0.313 32.893 32.600 -0.033 0.000 1.457 43 M HN -0.003 nan 8.290 nan 0.000 0.488 44 R N 0.880 121.271 120.500 -0.181 0.000 2.537 44 R HA -0.093 4.247 4.340 -0.001 0.000 0.281 44 R C -0.411 175.645 176.300 -0.406 0.000 0.988 44 R CA 0.843 56.689 56.100 -0.424 0.000 1.077 44 R CB 0.112 29.985 30.300 -0.712 0.000 0.932 44 R HN 0.274 nan 8.270 nan 0.000 0.409 45 F N -0.660 119.295 119.950 0.009 0.000 2.502 45 F HA -0.292 4.235 4.527 -0.001 0.000 0.480 45 F C 0.482 176.269 175.800 -0.022 0.000 0.543 45 F CA 0.807 58.789 58.000 -0.030 0.000 1.350 45 F CB -1.439 37.528 39.000 -0.055 0.000 1.999 45 F HN 0.612 nan 8.300 nan 0.000 0.267 46 R N 1.557 122.123 120.500 0.110 0.000 2.560 46 R HA 0.476 4.815 4.340 -0.001 0.000 0.270 46 R C 0.654 176.984 176.300 0.050 0.000 1.074 46 R CA -0.894 55.250 56.100 0.073 0.000 1.140 46 R CB 0.480 30.809 30.300 0.048 0.000 1.073 46 R HN 0.107 nan 8.270 nan 0.000 0.527 47 R N 2.248 122.778 120.500 0.051 0.000 2.587 47 R HA -0.038 4.301 4.340 -0.001 0.000 0.268 47 R C -1.884 174.443 176.300 0.044 0.000 0.978 47 R CA -0.600 55.531 56.100 0.051 0.000 1.097 47 R CB -0.286 30.049 30.300 0.058 0.000 0.917 47 R HN 0.410 nan 8.270 nan 0.000 0.414 48 P HA 0.056 nan 4.420 nan 0.000 0.272 48 P C -0.764 176.565 177.300 0.049 0.000 1.230 48 P CA 0.050 63.177 63.100 0.044 0.000 0.788 48 P CB 0.755 32.505 31.700 0.085 0.000 0.949 49 E N 1.372 121.589 120.200 0.027 0.000 2.207 49 E HA 0.427 4.776 4.350 -0.001 0.000 0.270 49 E C -2.306 174.322 176.600 0.047 0.000 0.927 49 E CA -2.600 53.822 56.400 0.038 0.000 0.799 49 E CB 0.228 29.943 29.700 0.024 0.000 1.172 49 E HN 0.282 nan 8.360 nan 0.000 0.404 50 P HA -0.033 nan 4.420 nan 0.000 0.266 50 P C -0.250 177.098 177.300 0.080 0.000 1.195 50 P CA -0.112 63.053 63.100 0.109 0.000 0.768 50 P CB 0.411 32.178 31.700 0.112 0.000 0.838 51 K N 3.539 123.994 120.400 0.091 0.000 2.451 51 K HA 0.028 4.348 4.320 -0.001 0.000 0.280 51 K C -0.312 176.365 176.600 0.129 0.000 1.020 51 K CA 0.325 56.658 56.287 0.077 0.000 1.008 51 K CB -0.046 32.495 32.500 0.069 0.000 0.917 51 K HN 0.244 nan 8.250 nan 0.000 0.478 52 K N 6.065 126.539 120.400 0.122 0.000 2.368 52 K HA 0.176 4.496 4.320 -0.001 0.000 0.282 52 K C -2.192 174.506 176.600 0.163 0.000 1.035 52 K CA -1.675 54.682 56.287 0.116 0.000 0.973 52 K CB 0.140 32.703 32.500 0.104 0.000 0.957 52 K HN 0.487 nan 8.250 nan 0.000 0.474 53 P HA -0.087 nan 4.420 nan 0.000 0.266 53 P C -1.218 176.105 177.300 0.039 0.000 1.193 53 P CA -0.035 62.989 63.100 -0.126 0.000 0.770 53 P CB 0.232 31.824 31.700 -0.180 0.000 0.836 54 W N 0.817 122.184 121.300 0.112 0.000 2.689 54 W HA 0.705 5.365 4.660 -0.001 0.000 0.340 54 W C -0.606 175.984 176.519 0.118 0.000 1.060 54 W CA -0.800 56.632 57.345 0.145 0.000 1.218 54 W CB 0.166 29.780 29.460 0.257 0.000 1.410 54 W HN 0.114 nan 8.180 nan 0.000 0.528 55 S N 1.419 117.292 115.700 0.289 0.000 2.632 55 S HA 0.667 5.136 4.470 -0.001 0.000 0.267 55 S C 0.624 175.415 174.600 0.319 0.000 1.276 55 S CA 0.835 59.154 58.200 0.198 0.000 0.998 55 S CB 0.642 63.921 63.200 0.132 0.000 0.953 55 S HN 1.431 nan 8.310 nan 0.000 0.547 56 G N 0.195 109.129 108.800 0.223 0.000 2.698 56 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.233 56 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.233 56 G C -0.912 174.196 174.900 0.346 0.000 1.352 56 G CA -0.403 44.832 45.100 0.226 0.000 0.879 56 G HN 0.940 nan 8.290 nan 0.000 0.567 57 V N 0.753 120.826 119.914 0.265 0.000 2.384 57 V HA 0.483 4.602 4.120 -0.001 0.000 0.287 57 V C 0.260 176.497 176.094 0.239 0.000 1.020 57 V CA -0.524 61.951 62.300 0.292 0.000 0.850 57 V CB 1.782 33.710 31.823 0.175 0.000 0.987 57 V HN 0.695 nan 8.190 nan 0.000 0.436 58 W N 5.458 126.842 121.300 0.140 0.000 2.356 58 W HA 0.206 4.865 4.660 -0.001 0.000 0.311 58 W C 0.359 176.874 176.519 -0.007 0.000 1.328 58 W CA -0.401 56.871 57.345 -0.121 0.000 1.251 58 W CB 0.809 30.035 29.460 -0.389 0.000 1.280 58 W HN 0.620 nan 8.180 nan 0.000 0.524 59 N N 4.633 123.148 118.700 -0.308 0.000 2.416 59 N HA 0.103 4.843 4.740 -0.001 0.000 0.271 59 N C -0.223 175.287 175.510 -0.001 0.000 1.245 59 N CA 0.385 53.339 53.050 -0.161 0.000 0.940 59 N CB 0.875 39.205 38.487 -0.262 0.000 1.175 59 N HN 0.385 nan 8.380 nan 0.000 0.483 60 A N 2.635 125.563 122.820 0.180 0.000 2.911 60 A HA 0.168 4.488 4.320 -0.001 0.000 0.304 60 A C 1.203 178.799 177.584 0.020 0.000 1.144 60 A CA -0.344 51.828 52.037 0.225 0.000 0.988 60 A CB -0.399 18.838 19.000 0.396 0.000 1.141 60 A HN 0.630 nan 8.150 nan 0.000 0.552 61 S N -0.659 115.014 115.700 -0.044 0.000 2.503 61 S HA 0.097 4.567 4.470 -0.001 0.000 0.217 61 S C 0.925 175.441 174.600 -0.139 0.000 0.999 61 S CA 0.770 58.902 58.200 -0.112 0.000 0.914 61 S CB -0.326 62.814 63.200 -0.100 0.000 0.782 61 S HN 0.914 nan 8.310 nan 0.000 0.520 62 T N -0.941 113.549 114.554 -0.106 0.000 2.900 62 T HA 0.605 4.955 4.350 -0.001 0.000 0.295 62 T C -0.827 173.852 174.700 -0.035 0.000 1.044 62 T CA -0.817 61.218 62.100 -0.108 0.000 0.995 62 T CB 0.811 69.633 68.868 -0.077 0.000 1.072 62 T HN 0.061 nan 8.240 nan 0.000 0.473 63 Y N 3.291 123.564 120.300 -0.045 0.000 2.683 63 Y HA 0.281 4.831 4.550 -0.001 0.000 0.340 63 Y C -1.494 174.349 175.900 -0.095 0.000 1.245 63 Y CA -1.319 56.758 58.100 -0.038 0.000 1.485 63 Y CB 0.121 38.578 38.460 -0.004 0.000 1.328 63 Y HN 0.559 nan 8.280 nan 0.000 0.603 64 P HA 0.119 nan 4.420 nan 0.000 0.279 64 P C -0.923 176.286 177.300 -0.153 0.000 1.276 64 P CA -0.564 62.413 63.100 -0.206 0.000 0.801 64 P CB 0.924 32.433 31.700 -0.319 0.000 1.127 65 N N -0.312 118.260 118.700 -0.213 0.000 2.344 65 N HA 0.021 4.760 4.740 -0.001 0.000 0.236 65 N C 0.072 175.536 175.510 -0.077 0.000 1.279 65 N CA 0.276 53.253 53.050 -0.122 0.000 0.882 65 N CB -0.199 38.224 38.487 -0.108 0.000 1.110 65 N HN 0.424 nan 8.380 nan 0.000 0.436 66 N N -0.250 118.401 118.700 -0.081 0.000 2.489 66 N HA 0.320 5.059 4.740 -0.001 0.000 0.284 66 N C -0.760 174.701 175.510 -0.081 0.000 1.158 66 N CA -0.783 52.217 53.050 -0.084 0.000 0.965 66 N CB 0.927 39.339 38.487 -0.124 0.000 1.195 66 N HN 0.391 nan 8.380 nan 0.000 0.506 67 c N 1.293 119.848 118.600 -0.075 0.000 2.689 67 c HA 0.031 4.601 4.570 -0.001 0.000 0.409 67 c C 0.656 174.659 174.090 -0.146 0.000 1.293 67 c CA -0.530 55.735 56.329 -0.106 0.000 2.136 67 c CB -0.183 42.293 42.510 -0.057 0.000 2.719 67 c HN 0.535 nan 8.230 nan 0.000 0.644 68 Q N 2.805 122.437 119.800 -0.281 0.000 2.263 68 Q HA 0.169 4.509 4.340 -0.001 0.000 0.289 68 Q C -0.035 175.935 176.000 -0.051 0.000 1.061 68 Q CA 1.048 56.680 55.803 -0.285 0.000 0.927 68 Q CB 0.352 28.656 28.738 -0.723 0.000 1.154 68 Q HN 0.878 nan 8.270 nan 0.000 0.378 69 Q N 1.502 121.354 119.800 0.087 0.000 2.472 69 Q HA 0.268 4.608 4.340 -0.001 0.000 0.281 69 Q C -1.185 174.995 176.000 0.300 0.000 0.997 69 Q CA -1.017 54.928 55.803 0.238 0.000 0.828 69 Q CB 0.681 29.513 28.738 0.157 0.000 1.443 69 Q HN 0.470 nan 8.270 nan 0.000 0.390 70 Y N 1.235 121.733 120.300 0.329 0.000 2.904 70 Y HA 0.182 4.732 4.550 -0.001 0.000 0.336 70 Y C -0.979 175.095 175.900 0.289 0.000 1.263 70 Y CA 0.691 59.015 58.100 0.374 0.000 1.547 70 Y CB 0.647 39.469 38.460 0.603 0.000 1.272 70 Y HN 0.442 nan 8.280 nan 0.000 0.596 71 V N 6.912 126.552 119.914 -0.458 0.000 2.417 71 V HA 0.120 4.240 4.120 -0.001 0.000 0.291 71 V C -0.508 175.271 176.094 -0.525 0.000 1.024 71 V CA -1.103 61.011 62.300 -0.310 0.000 0.861 71 V CB 1.505 33.236 31.823 -0.154 0.000 0.985 71 V HN 0.741 nan 8.190 nan 0.000 0.436 72 D N 3.934 124.257 120.400 -0.128 0.000 2.346 72 D HA 0.082 4.722 4.640 -0.001 0.000 0.260 72 D C 0.610 176.956 176.300 0.077 0.000 1.252 72 D CA 0.368 54.423 54.000 0.092 0.000 0.895 72 D CB 0.839 41.829 40.800 0.318 0.000 1.097 72 D HN 0.676 nan 8.370 nan 0.000 0.489 73 E N 2.552 122.768 120.200 0.027 0.000 2.624 73 E HA -0.042 4.308 4.350 -0.001 0.000 0.210 73 E C 0.784 177.376 176.600 -0.012 0.000 0.997 73 E CA -0.138 56.276 56.400 0.022 0.000 0.999 73 E CB 0.648 30.333 29.700 -0.025 0.000 1.040 73 E HN 0.339 nan 8.360 nan 0.000 0.469 74 Q N -0.054 119.727 119.800 -0.032 0.000 2.291 74 Q HA -0.054 4.286 4.340 -0.001 0.000 0.205 74 Q C -0.452 175.069 176.000 -0.798 0.000 0.970 74 Q CA 1.173 56.723 55.803 -0.422 0.000 0.876 74 Q CB 0.210 28.631 28.738 -0.529 0.000 0.935 74 Q HN 0.114 nan 8.270 nan 0.000 0.455 75 F N 0.073 120.093 119.950 0.116 0.000 2.872 75 F HA 0.408 4.934 4.527 -0.001 0.000 0.365 75 F C -2.317 173.557 175.800 0.123 0.000 1.296 75 F CA -2.738 55.306 58.000 0.073 0.000 1.199 75 F CB 1.321 40.345 39.000 0.039 0.000 1.687 75 F HN -0.162 nan 8.300 nan 0.000 0.604 76 P HA 0.209 nan 4.420 nan 0.000 0.264 76 P C 0.988 178.373 177.300 0.143 0.000 1.193 76 P CA 1.017 64.197 63.100 0.133 0.000 0.763 76 P CB 0.897 32.638 31.700 0.068 0.000 0.810 77 G N 2.237 111.107 108.800 0.118 0.000 2.184 77 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.264 77 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.264 77 G C 0.017 174.988 174.900 0.120 0.000 0.975 77 G CA -0.349 44.803 45.100 0.086 0.000 0.642 77 G HN 0.527 nan 8.290 nan 0.000 0.536 78 F N 2.756 122.703 119.950 -0.004 0.000 2.427 78 F HA 0.536 5.062 4.527 -0.001 0.000 0.352 78 F C 1.598 177.334 175.800 -0.106 0.000 1.100 78 F CA -0.281 57.661 58.000 -0.096 0.000 1.191 78 F CB 1.285 40.212 39.000 -0.121 0.000 1.128 78 F HN 0.190 nan 8.300 nan 0.000 0.533 79 S N 3.072 118.341 115.700 -0.718 0.000 2.428 79 S HA -0.015 4.455 4.470 -0.001 0.000 0.230 79 S C 2.139 176.343 174.600 -0.659 0.000 1.014 79 S CA 0.616 58.482 58.200 -0.557 0.000 0.957 79 S CB -0.979 61.957 63.200 -0.440 0.000 0.784 79 S HN 0.821 nan 8.310 nan 0.000 0.499 80 G N 1.905 109.868 108.800 -1.395 0.000 2.450 80 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.220 80 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.220 80 G C 1.694 176.834 174.900 0.401 0.000 1.130 80 G CA 1.312 45.903 45.100 -0.848 0.000 0.760 80 G HN 0.771 nan 8.290 nan 0.000 0.557 81 S N -0.325 115.603 115.700 0.379 0.000 2.502 81 S HA 0.147 4.616 4.470 -0.001 0.000 0.228 81 S C 1.811 176.705 174.600 0.491 0.000 1.061 81 S CA 0.645 59.377 58.200 0.886 0.000 0.935 81 S CB -0.008 63.837 63.200 1.075 0.000 0.809 81 S HN 0.427 nan 8.310 nan 0.000 0.510 82 E N 1.931 122.254 120.200 0.205 0.000 2.268 82 E HA -0.067 4.283 4.350 -0.001 0.000 0.195 82 E C 1.988 178.549 176.600 -0.065 0.000 0.995 82 E CA 1.267 57.712 56.400 0.074 0.000 0.836 82 E CB -0.437 29.276 29.700 0.020 0.000 0.763 82 E HN 0.820 nan 8.360 nan 0.000 0.491 83 M N -1.767 117.704 119.600 -0.215 0.000 2.632 83 M HA -0.066 4.413 4.480 -0.001 0.000 0.256 83 M C 0.846 176.765 176.300 -0.634 0.000 1.080 83 M CA 1.318 56.331 55.300 -0.478 0.000 1.084 83 M CB -0.247 31.968 32.600 -0.643 0.000 1.439 83 M HN 0.037 nan 8.290 nan 0.000 0.509 84 W N 0.478 121.724 121.300 -0.090 0.000 3.107 84 W HA 0.307 4.967 4.660 -0.001 0.000 0.293 84 W C 0.366 176.799 176.519 -0.143 0.000 1.239 84 W CA -0.899 56.359 57.345 -0.146 0.000 1.653 84 W CB 0.006 29.406 29.460 -0.099 0.000 1.068 84 W HN 0.091 nan 8.180 nan 0.000 0.615 85 N N 1.692 120.436 118.700 0.073 0.000 2.503 85 N HA 0.145 4.885 4.740 -0.001 0.000 0.267 85 N C -2.473 172.998 175.510 -0.066 0.000 1.214 85 N CA -1.610 51.451 53.050 0.017 0.000 0.959 85 N CB -0.084 38.418 38.487 0.025 0.000 1.142 85 N HN -0.357 nan 8.380 nan 0.000 0.455 86 P HA 0.002 nan 4.420 nan 0.000 0.260 86 P C 0.176 177.416 177.300 -0.100 0.000 1.172 86 P CA 0.178 63.213 63.100 -0.107 0.000 0.760 86 P CB 0.211 31.859 31.700 -0.088 0.000 0.773 87 N N 2.584 121.211 118.700 -0.122 0.000 2.214 87 N HA 0.058 4.797 4.740 -0.001 0.000 0.214 87 N C 0.223 175.687 175.510 -0.077 0.000 1.132 87 N CA 0.057 53.047 53.050 -0.100 0.000 0.856 87 N CB 0.410 38.826 38.487 -0.118 0.000 1.020 87 N HN 0.199 nan 8.380 nan 0.000 0.509 88 R N 0.143 120.593 120.500 -0.085 0.000 2.912 88 R HA 0.291 4.631 4.340 -0.001 0.000 0.262 88 R C -0.470 175.790 176.300 -0.067 0.000 1.057 88 R CA -0.688 55.372 56.100 -0.066 0.000 0.981 88 R CB 1.459 31.714 30.300 -0.076 0.000 1.201 88 R HN 0.208 nan 8.270 nan 0.000 0.484 89 E N 1.620 121.783 120.200 -0.060 0.000 2.452 89 E HA -0.007 4.343 4.350 -0.001 0.000 0.261 89 E C -0.305 176.252 176.600 -0.071 0.000 0.987 89 E CA 0.328 56.693 56.400 -0.060 0.000 0.926 89 E CB 0.625 30.290 29.700 -0.058 0.000 0.934 89 E HN 0.229 nan 8.360 nan 0.000 0.452 90 M N 2.217 121.776 119.600 -0.069 0.000 2.235 90 M HA 0.158 4.638 4.480 -0.001 0.000 0.351 90 M C -0.014 176.231 176.300 -0.092 0.000 1.178 90 M CA 0.279 55.529 55.300 -0.083 0.000 1.143 90 M CB 1.494 34.048 32.600 -0.078 0.000 1.530 90 M HN 0.292 nan 8.290 nan 0.000 0.461 91 S N 0.664 116.296 115.700 -0.113 0.000 2.537 91 S HA 0.231 4.700 4.470 -0.001 0.000 0.271 91 S C 0.185 174.687 174.600 -0.163 0.000 1.148 91 S CA -0.686 57.444 58.200 -0.117 0.000 0.868 91 S CB 1.478 64.632 63.200 -0.075 0.000 1.115 91 S HN 0.831 nan 8.310 nan 0.000 0.461 92 E N 1.015 121.096 120.200 -0.200 0.000 2.333 92 E HA -0.103 4.246 4.350 -0.001 0.000 0.198 92 E C -0.292 176.236 176.600 -0.120 0.000 1.007 92 E CA 0.591 56.850 56.400 -0.233 0.000 0.845 92 E CB 0.107 29.669 29.700 -0.229 0.000 0.766 92 E HN 0.493 nan 8.360 nan 0.000 0.507 93 D N 0.264 120.631 120.400 -0.055 0.000 2.483 93 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 93 D C -0.029 176.361 176.300 0.151 0.000 1.173 93 D CA -0.276 53.745 54.000 0.035 0.000 0.964 93 D CB -0.042 40.794 40.800 0.060 0.000 1.046 93 D HN 0.129 nan 8.370 nan 0.000 0.517 94 c N 2.433 121.111 118.600 0.129 0.000 3.722 94 c HA 0.381 4.951 4.570 -0.001 0.000 0.279 94 c C 0.462 174.667 174.090 0.192 0.000 1.819 94 c CA -0.686 55.762 56.329 0.199 0.000 1.744 94 c CB -1.281 41.255 42.510 0.044 0.000 3.247 94 c HN 0.411 nan 8.230 nan 0.000 0.549 95 L N 2.569 123.688 121.223 -0.173 0.000 2.387 95 L HA 0.456 4.796 4.340 -0.001 0.000 0.267 95 L C -0.938 175.225 176.870 -1.178 0.000 1.197 95 L CA 0.393 54.842 54.840 -0.651 0.000 1.070 95 L CB -0.521 41.022 42.059 -0.860 0.000 1.349 95 L HN 0.361 nan 8.230 nan 0.000 0.422 96 Y N 2.074 122.252 120.300 -0.202 0.000 2.581 96 Y HA 0.669 5.219 4.550 -0.001 0.000 0.345 96 Y C -0.136 175.922 175.900 0.265 0.000 1.036 96 Y CA -1.225 56.856 58.100 -0.030 0.000 1.042 96 Y CB 2.011 40.451 38.460 -0.034 0.000 1.289 96 Y HN 0.207 nan 8.280 nan 0.000 0.471 97 L N -0.201 121.185 121.223 0.271 0.000 2.327 97 L HA 0.782 5.122 4.340 -0.001 0.000 0.258 97 L C -1.296 175.618 176.870 0.074 0.000 1.024 97 L CA -1.122 53.815 54.840 0.161 0.000 0.825 97 L CB 1.819 43.884 42.059 0.009 0.000 1.386 97 L HN 0.455 nan 8.230 nan 0.000 0.417 98 N N 1.285 120.025 118.700 0.066 0.000 2.258 98 N HA 0.700 5.439 4.740 -0.001 0.000 0.299 98 N C -1.363 174.033 175.510 -0.190 0.000 1.047 98 N CA -0.204 52.777 53.050 -0.116 0.000 0.814 98 N CB 2.713 41.132 38.487 -0.114 0.000 1.413 98 N HN 0.643 nan 8.380 nan 0.000 0.478 99 I N 0.524 120.908 120.570 -0.311 0.000 2.498 99 I HA 0.412 4.582 4.170 -0.001 0.000 0.290 99 I C -0.591 175.438 176.117 -0.146 0.000 1.032 99 I CA -0.756 60.467 61.300 -0.129 0.000 1.073 99 I CB 2.085 39.950 38.000 -0.225 0.000 1.251 99 I HN 0.230 nan 8.210 nan 0.000 0.426 100 W N 5.663 127.092 121.300 0.215 0.000 2.429 100 W HA 0.584 5.244 4.660 -0.001 0.000 0.314 100 W C -0.949 175.710 176.519 0.232 0.000 1.062 100 W CA -0.697 56.774 57.345 0.210 0.000 1.211 100 W CB 2.096 31.649 29.460 0.155 0.000 1.305 100 W HN 0.103 nan 8.180 nan 0.000 0.476 101 V N 5.049 125.228 119.914 0.441 0.000 2.483 101 V HA 0.252 4.371 4.120 -0.001 0.000 0.297 101 V C -1.963 174.325 176.094 0.324 0.000 1.027 101 V CA -2.296 60.235 62.300 0.384 0.000 0.855 101 V CB 1.957 34.071 31.823 0.486 0.000 0.995 101 V HN 0.256 nan 8.190 nan 0.000 0.424 102 P HA 0.067 nan 4.420 nan 0.000 0.269 102 P C -0.491 176.943 177.300 0.222 0.000 1.211 102 P CA 0.249 63.491 63.100 0.236 0.000 0.781 102 P CB 0.501 32.304 31.700 0.172 0.000 0.877 103 S N 1.321 117.151 115.700 0.216 0.000 2.552 103 S HA 0.548 5.018 4.470 -0.001 0.000 0.314 103 S C -2.447 172.247 174.600 0.157 0.000 1.099 103 S CA -1.555 56.754 58.200 0.181 0.000 1.070 103 S CB -0.023 63.284 63.200 0.179 0.000 0.998 103 S HN 0.230 nan 8.310 nan 0.000 0.474 104 P HA 0.216 nan 4.420 nan 0.000 0.274 104 P C -0.452 176.924 177.300 0.126 0.000 1.231 104 P CA -0.601 62.567 63.100 0.114 0.000 0.790 104 P CB 0.397 32.149 31.700 0.087 0.000 0.951 105 R N 2.455 123.036 120.500 0.136 0.000 2.494 105 R HA 0.037 4.377 4.340 -0.001 0.000 0.291 105 R C -1.942 174.425 176.300 0.112 0.000 0.953 105 R CA -0.613 55.576 56.100 0.148 0.000 1.098 105 R CB -0.397 29.990 30.300 0.145 0.000 0.911 105 R HN 0.384 nan 8.270 nan 0.000 0.407 106 P HA 0.185 nan 4.420 nan 0.000 0.282 106 P C -0.320 177.017 177.300 0.062 0.000 1.287 106 P CA -0.508 62.642 63.100 0.082 0.000 0.792 106 P CB 0.779 32.529 31.700 0.085 0.000 1.163 107 K N -0.924 119.500 120.400 0.040 0.000 2.240 107 K HA 0.174 4.493 4.320 -0.001 0.000 0.202 107 K C 0.665 177.266 176.600 0.002 0.000 1.053 107 K CA 0.939 57.237 56.287 0.019 0.000 0.973 107 K CB -0.440 32.067 32.500 0.012 0.000 0.924 107 K HN 0.315 nan 8.250 nan 0.000 0.477 108 S N 1.226 116.929 115.700 0.005 0.000 2.605 108 S HA 0.145 4.614 4.470 -0.001 0.000 0.142 108 S C -0.963 173.638 174.600 0.003 0.000 1.452 108 S CA -0.323 57.871 58.200 -0.010 0.000 1.240 108 S CB 0.230 63.413 63.200 -0.028 0.000 1.538 108 S HN 0.116 nan 8.310 nan 0.000 0.394 109 T N 2.115 116.683 114.554 0.024 0.000 2.922 109 T HA 0.433 4.783 4.350 -0.001 0.000 0.285 109 T C 0.308 175.026 174.700 0.030 0.000 1.005 109 T CA 0.163 62.282 62.100 0.031 0.000 1.061 109 T CB 0.811 69.712 68.868 0.054 0.000 1.007 109 T HN 0.459 nan 8.240 nan 0.000 0.502 110 T N 3.113 117.679 114.554 0.021 0.000 2.891 110 T HA 0.156 4.506 4.350 -0.001 0.000 0.296 110 T C -0.166 174.561 174.700 0.046 0.000 1.025 110 T CA 0.004 62.114 62.100 0.017 0.000 1.149 110 T CB 0.022 68.889 68.868 -0.002 0.000 1.007 110 T HN 0.390 nan 8.240 nan 0.000 0.528 111 V N 5.648 125.594 119.914 0.054 0.000 2.513 111 V HA 0.499 4.619 4.120 -0.001 0.000 0.299 111 V C 0.063 176.217 176.094 0.099 0.000 1.035 111 V CA -0.712 61.643 62.300 0.093 0.000 0.889 111 V CB 1.731 33.614 31.823 0.100 0.000 0.988 111 V HN 0.827 nan 8.190 nan 0.000 0.440 112 M N 4.679 124.361 119.600 0.136 0.000 2.253 112 M HA 0.565 5.045 4.480 -0.001 0.000 0.314 112 M C -1.328 175.192 176.300 0.368 0.000 1.019 112 M CA -0.657 54.732 55.300 0.148 0.000 0.932 112 M CB 2.229 34.784 32.600 -0.076 0.000 1.606 112 M HN 0.347 nan 8.290 nan 0.000 0.430 113 V N 3.035 123.217 119.914 0.446 0.000 2.378 113 V HA 0.331 4.451 4.120 -0.001 0.000 0.288 113 V C -0.835 175.589 176.094 0.549 0.000 1.016 113 V CA -0.643 61.919 62.300 0.435 0.000 0.840 113 V CB 1.607 33.558 31.823 0.213 0.000 0.994 113 V HN 0.867 nan 8.190 nan 0.000 0.431 114 W N 7.067 128.521 121.300 0.257 0.000 2.322 114 W HA 0.601 5.260 4.660 -0.001 0.000 0.307 114 W C -1.245 175.197 176.519 -0.129 0.000 1.220 114 W CA -0.705 56.543 57.345 -0.162 0.000 1.210 114 W CB 1.124 30.536 29.460 -0.081 0.000 1.223 114 W HN 0.460 nan 8.180 nan 0.000 0.511 115 I N 9.108 129.139 120.570 -0.897 0.000 2.354 115 I HA 0.078 4.247 4.170 -0.001 0.000 0.286 115 I C -0.185 175.174 176.117 -1.263 0.000 1.007 115 I CA -1.146 59.647 61.300 -0.845 0.000 1.167 115 I CB 0.559 38.234 38.000 -0.541 0.000 1.320 115 I HN 0.283 nan 8.210 nan 0.000 0.458 116 Y N 4.535 124.376 120.300 -0.766 0.000 2.480 116 Y HA 0.610 5.160 4.550 -0.001 0.000 0.338 116 Y C 0.813 176.547 175.900 -0.278 0.000 1.220 116 Y CA -0.899 56.857 58.100 -0.573 0.000 1.430 116 Y CB -0.148 38.225 38.460 -0.144 0.000 1.311 116 Y HN 0.573 nan 8.280 nan 0.000 0.575 117 G N -0.072 108.724 108.800 -0.007 0.000 2.509 117 G HA2 0.466 4.426 3.960 -0.001 0.000 0.269 117 G HA3 0.466 4.426 3.960 -0.001 0.000 0.269 117 G C 0.431 175.290 174.900 -0.070 0.000 1.416 117 G CA -0.827 44.224 45.100 -0.082 0.000 1.052 117 G HN 1.765 nan 8.290 nan 0.000 0.542 118 G N -3.038 105.568 108.800 -0.323 0.000 2.207 118 G HA2 0.397 4.357 3.960 -0.001 0.000 0.193 118 G HA3 0.397 4.357 3.960 -0.001 0.000 0.193 118 G C 1.063 175.431 174.900 -0.887 0.000 1.050 118 G CA 0.698 45.468 45.100 -0.549 0.000 0.780 118 G HN 2.314 nan 8.290 nan 0.000 0.504 119 G N -0.361 107.946 108.800 -0.821 0.000 2.233 119 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.270 119 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.270 119 G C 0.936 175.656 174.900 -0.299 0.000 1.011 119 G CA 0.807 45.289 45.100 -1.029 0.000 0.762 119 G HN 1.769 nan 8.290 nan 0.000 0.511 120 F N -3.484 116.417 119.950 -0.081 0.000 2.935 120 F HA -0.343 4.184 4.527 -0.001 0.000 0.317 120 F C 1.520 177.445 175.800 0.208 0.000 0.699 120 F CA 2.227 60.288 58.000 0.101 0.000 1.127 120 F CB -2.112 36.799 39.000 -0.148 0.000 1.491 120 F HN 0.864 nan 8.300 nan 0.000 0.337 121 Y N -1.017 119.368 120.300 0.141 0.000 2.445 121 Y HA 0.637 5.186 4.550 -0.001 0.000 0.247 121 Y C 0.692 176.697 175.900 0.175 0.000 1.129 121 Y CA 0.232 58.433 58.100 0.168 0.000 1.251 121 Y CB -0.008 38.465 38.460 0.023 0.000 1.176 121 Y HN 0.090 nan 8.280 nan 0.000 0.522 122 S N -0.708 114.750 115.700 -0.403 0.000 2.688 122 S HA 0.903 5.372 4.470 -0.001 0.000 0.275 122 S C -0.238 174.190 174.600 -0.286 0.000 1.175 122 S CA -0.494 57.534 58.200 -0.286 0.000 0.818 122 S CB 1.526 64.489 63.200 -0.395 0.000 1.157 122 S HN 1.277 nan 8.310 nan 0.000 0.482 123 G N -0.384 108.216 108.800 -0.334 0.000 2.402 123 G HA2 0.420 4.379 3.960 -0.001 0.000 0.666 123 G HA3 0.420 4.379 3.960 -0.001 0.000 0.666 123 G C -1.095 173.148 174.900 -1.095 0.000 1.402 123 G CA -0.334 44.406 45.100 -0.600 0.000 0.920 123 G HN 1.241 nan 8.290 nan 0.000 0.651 124 S N -0.979 114.068 115.700 -1.087 0.000 2.536 124 S HA 0.670 5.140 4.470 -0.001 0.000 0.271 124 S C 0.990 175.404 174.600 -0.310 0.000 1.134 124 S CA 0.191 57.972 58.200 -0.699 0.000 0.897 124 S CB 1.768 64.772 63.200 -0.327 0.000 1.094 124 S HN 1.946 nan 8.310 nan 0.000 0.473 125 S N 0.255 115.959 115.700 0.007 0.000 2.562 125 S HA -0.050 4.419 4.470 -0.001 0.000 0.221 125 S C 1.312 175.986 174.600 0.124 0.000 0.975 125 S CA 0.937 59.345 58.200 0.348 0.000 0.918 125 S CB -0.517 62.936 63.200 0.422 0.000 0.772 125 S HN 0.815 nan 8.310 nan 0.000 0.531 126 T N -0.199 114.226 114.554 -0.216 0.000 3.069 126 T HA 0.418 4.767 4.350 -0.001 0.000 0.252 126 T C 0.473 174.876 174.700 -0.494 0.000 1.053 126 T CA -0.568 61.064 62.100 -0.781 0.000 0.964 126 T CB -0.502 67.814 68.868 -0.920 0.000 1.005 126 T HN 0.303 nan 8.240 nan 0.000 0.532 127 L N 2.222 123.264 121.223 -0.300 0.000 2.514 127 L HA 0.131 4.471 4.340 -0.001 0.000 0.280 127 L C 1.281 177.934 176.870 -0.362 0.000 1.223 127 L CA -0.396 54.196 54.840 -0.415 0.000 0.864 127 L CB 0.342 41.949 42.059 -0.754 0.000 1.118 127 L HN 0.086 nan 8.230 nan 0.000 0.494 128 D N 1.538 121.748 120.400 -0.317 0.000 2.158 128 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 128 D C 1.906 178.027 176.300 -0.297 0.000 0.995 128 D CA 1.038 54.908 54.000 -0.217 0.000 0.846 128 D CB 0.122 40.802 40.800 -0.200 0.000 0.941 128 D HN 0.368 nan 8.370 nan 0.000 0.456 129 V N 0.082 119.682 119.914 -0.523 0.000 3.141 129 V HA -0.179 3.940 4.120 -0.001 0.000 0.265 129 V C 0.603 176.274 176.094 -0.705 0.000 1.126 129 V CA 1.006 62.965 62.300 -0.568 0.000 1.141 129 V CB -0.441 30.955 31.823 -0.712 0.000 0.743 129 V HN 0.177 nan 8.190 nan 0.000 0.492 130 Y N -0.601 119.262 120.300 -0.729 0.000 2.524 130 Y HA 0.378 4.928 4.550 -0.001 0.000 0.266 130 Y C 1.029 176.476 175.900 -0.755 0.000 1.180 130 Y CA -1.384 55.990 58.100 -1.210 0.000 1.244 130 Y CB -0.897 37.161 38.460 -0.670 0.000 1.125 130 Y HN 0.204 nan 8.280 nan 0.000 0.524 131 N N 1.327 119.836 118.700 -0.319 0.000 2.438 131 N HA -0.006 4.734 4.740 -0.001 0.000 0.267 131 N C 1.286 176.435 175.510 -0.601 0.000 1.222 131 N CA 0.572 53.412 53.050 -0.350 0.000 0.930 131 N CB 1.299 39.684 38.487 -0.170 0.000 1.083 131 N HN 0.459 nan 8.380 nan 0.000 0.476 132 G N 3.432 111.297 108.800 -1.558 0.000 2.920 132 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.208 132 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.208 132 G C 1.445 175.816 174.900 -0.881 0.000 1.159 132 G CA 0.251 44.724 45.100 -1.044 0.000 0.784 132 G HN 0.752 nan 8.290 nan 0.000 0.535 133 K N -0.228 119.464 120.400 -1.180 0.000 2.057 133 K HA -0.147 4.173 4.320 -0.001 0.000 0.207 133 K C 1.764 178.155 176.600 -0.348 0.000 1.049 133 K CA 1.120 57.022 56.287 -0.643 0.000 0.931 133 K CB -0.575 31.570 32.500 -0.592 0.000 0.714 133 K HN 0.299 nan 8.250 nan 0.000 0.440 134 Y N 1.141 121.381 120.300 -0.100 0.000 2.224 134 Y HA -0.128 4.422 4.550 -0.001 0.000 0.289 134 Y C 2.321 178.229 175.900 0.014 0.000 1.146 134 Y CA 0.655 58.749 58.100 -0.009 0.000 1.182 134 Y CB -0.547 37.879 38.460 -0.057 0.000 0.983 134 Y HN 0.049 nan 8.280 nan 0.000 0.524 135 L N -0.072 121.192 121.223 0.069 0.000 2.095 135 L HA 0.066 4.406 4.340 -0.001 0.000 0.204 135 L C 2.362 179.260 176.870 0.045 0.000 1.080 135 L CA 1.698 56.542 54.840 0.007 0.000 0.759 135 L CB -1.200 40.789 42.059 -0.116 0.000 0.914 135 L HN 0.119 nan 8.230 nan 0.000 0.439 136 A N -1.273 121.592 122.820 0.075 0.000 1.877 136 A HA -0.296 4.023 4.320 -0.001 0.000 0.216 136 A C 2.310 179.987 177.584 0.155 0.000 1.186 136 A CA 1.966 54.089 52.037 0.144 0.000 0.620 136 A CB -1.161 17.985 19.000 0.243 0.000 0.822 136 A HN 0.600 nan 8.150 nan 0.000 0.443 137 Y N 1.077 121.408 120.300 0.052 0.000 2.163 137 Y HA -0.144 4.406 4.550 -0.001 0.000 0.288 137 Y C 2.616 178.547 175.900 0.051 0.000 1.136 137 Y CA 2.331 60.464 58.100 0.055 0.000 1.147 137 Y CB -0.737 37.744 38.460 0.034 0.000 0.987 137 Y HN 0.282 nan 8.280 nan 0.000 0.509 138 T N 0.378 114.894 114.554 -0.063 0.000 2.777 138 T HA -0.113 4.237 4.350 -0.001 0.000 0.266 138 T C 1.238 175.863 174.700 -0.126 0.000 1.040 138 T CA 1.725 63.734 62.100 -0.151 0.000 1.141 138 T CB -0.097 68.778 68.868 0.011 0.000 0.868 138 T HN 0.327 nan 8.240 nan 0.000 0.444 139 E N 0.600 120.780 120.200 -0.034 0.000 2.498 139 E HA 0.095 4.445 4.350 -0.001 0.000 0.203 139 E C -0.015 176.594 176.600 0.016 0.000 1.013 139 E CA 0.045 56.456 56.400 0.019 0.000 0.927 139 E CB 0.185 29.921 29.700 0.059 0.000 1.012 139 E HN 0.620 nan 8.360 nan 0.000 0.482 140 E N 0.044 120.241 120.200 -0.004 0.000 2.320 140 E HA -0.160 4.190 4.350 -0.001 0.000 0.234 140 E C 0.088 176.722 176.600 0.056 0.000 1.183 140 E CA 0.485 56.900 56.400 0.024 0.000 0.713 140 E CB -2.439 27.265 29.700 0.007 0.000 1.226 140 E HN 0.130 nan 8.360 nan 0.000 0.382 141 V N -3.436 116.523 119.914 0.075 0.000 2.769 141 V HA 0.644 4.764 4.120 -0.001 0.000 0.312 141 V C 0.559 176.739 176.094 0.142 0.000 1.058 141 V CA -1.112 61.241 62.300 0.088 0.000 0.952 141 V CB 2.216 34.075 31.823 0.060 0.000 1.019 141 V HN 0.021 nan 8.190 nan 0.000 0.445 142 V N 4.894 124.899 119.914 0.152 0.000 2.408 142 V HA 0.286 4.406 4.120 -0.001 0.000 0.267 142 V C 0.049 176.283 176.094 0.234 0.000 1.047 142 V CA -0.251 62.172 62.300 0.204 0.000 0.937 142 V CB 1.037 32.967 31.823 0.179 0.000 0.999 142 V HN 0.772 nan 8.190 nan 0.000 0.472 143 L N 7.639 129.062 121.223 0.333 0.000 2.287 143 L HA 0.606 4.946 4.340 -0.001 0.000 0.287 143 L C -0.565 176.620 176.870 0.525 0.000 1.022 143 L CA -0.068 55.019 54.840 0.412 0.000 0.814 143 L CB 1.764 44.058 42.059 0.392 0.000 1.217 143 L HN 0.405 nan 8.230 nan 0.000 0.420 144 V N 4.040 124.226 119.914 0.452 0.000 2.459 144 V HA 0.519 4.639 4.120 -0.001 0.000 0.295 144 V C 0.189 176.585 176.094 0.503 0.000 1.029 144 V CA -0.581 61.957 62.300 0.396 0.000 0.874 144 V CB 1.971 33.937 31.823 0.239 0.000 0.985 144 V HN 0.908 nan 8.190 nan 0.000 0.438 145 S N 5.202 121.217 115.700 0.524 0.000 2.454 145 S HA 0.824 5.293 4.470 -0.001 0.000 0.306 145 S C -0.646 174.144 174.600 0.315 0.000 1.100 145 S CA -0.792 57.712 58.200 0.506 0.000 1.087 145 S CB 1.576 65.176 63.200 0.668 0.000 1.019 145 S HN 0.639 nan 8.310 nan 0.000 0.480 146 L N 0.874 122.215 121.223 0.198 0.000 2.635 146 L HA 0.987 5.327 4.340 -0.001 0.000 0.250 146 L C 0.160 177.163 176.870 0.221 0.000 1.117 146 L CA -0.676 54.234 54.840 0.116 0.000 0.834 146 L CB -0.048 41.954 42.059 -0.096 0.000 1.544 146 L HN 0.915 nan 8.230 nan 0.000 0.511 147 S N -1.723 114.158 115.700 0.301 0.000 2.607 147 S HA 0.874 5.343 4.470 -0.001 0.000 0.273 147 S C -1.352 173.492 174.600 0.407 0.000 1.148 147 S CA -0.505 57.905 58.200 0.350 0.000 0.833 147 S CB 1.493 64.949 63.200 0.426 0.000 1.130 147 S HN 1.277 nan 8.310 nan 0.000 0.470 148 Y N -1.615 118.803 120.300 0.197 0.000 2.604 148 Y HA 0.674 5.224 4.550 -0.001 0.000 0.331 148 Y C -0.756 175.271 175.900 0.213 0.000 1.158 148 Y CA -1.358 56.847 58.100 0.175 0.000 1.056 148 Y CB 0.697 39.211 38.460 0.090 0.000 1.330 148 Y HN 0.802 nan 8.280 nan 0.000 0.457 149 R N 1.949 122.577 120.500 0.213 0.000 2.570 149 R HA 0.475 4.814 4.340 -0.001 0.000 0.277 149 R C -0.095 176.357 176.300 0.253 0.000 1.039 149 R CA 0.022 56.205 56.100 0.138 0.000 1.065 149 R CB 0.695 31.045 30.300 0.083 0.000 0.964 149 R HN 0.685 nan 8.270 nan 0.000 0.428 150 V N 0.143 120.230 119.914 0.289 0.000 3.234 150 V HA 0.884 5.004 4.120 -0.001 0.000 0.317 150 V C 0.810 177.233 176.094 0.548 0.000 1.147 150 V CA -0.149 62.447 62.300 0.494 0.000 1.037 150 V CB 1.115 33.133 31.823 0.325 0.000 1.148 150 V HN 0.981 nan 8.190 nan 0.000 0.455 151 G N 0.374 109.538 108.800 0.607 0.000 2.575 151 G HA2 0.027 3.986 3.960 -0.001 0.000 0.267 151 G HA3 0.027 3.986 3.960 -0.001 0.000 0.267 151 G C 0.975 176.042 174.900 0.279 0.000 1.264 151 G CA 0.841 46.232 45.100 0.484 0.000 0.935 151 G HN 2.181 nan 8.290 nan 0.000 0.568 152 A N -1.264 121.391 122.820 -0.275 0.000 2.019 152 A HA 0.263 4.582 4.320 -0.001 0.000 0.219 152 A C 2.210 179.645 177.584 -0.248 0.000 1.164 152 A CA 2.422 53.954 52.037 -0.841 0.000 0.644 152 A CB -0.500 17.734 19.000 -1.276 0.000 0.805 152 A HN 0.937 nan 8.150 nan 0.000 0.449 153 F N 0.067 120.067 119.950 0.083 0.000 2.202 153 F HA -0.051 4.475 4.527 -0.001 0.000 0.301 153 F C 2.445 178.256 175.800 0.019 0.000 1.082 153 F CA 1.238 59.283 58.000 0.077 0.000 1.313 153 F CB -0.617 38.378 39.000 -0.009 0.000 1.024 153 F HN 0.291 nan 8.300 nan 0.000 0.495 154 G N -2.427 106.442 108.800 0.116 0.000 2.833 154 G HA2 0.064 4.024 3.960 -0.001 0.000 0.210 154 G HA3 0.064 4.024 3.960 -0.001 0.000 0.210 154 G C 0.797 175.180 174.900 -0.861 0.000 1.139 154 G CA 0.143 45.016 45.100 -0.378 0.000 0.771 154 G HN 0.333 nan 8.290 nan 0.000 0.535 155 F N -0.673 119.366 119.950 0.148 0.000 2.915 155 F HA 0.429 4.956 4.527 -0.001 0.000 0.347 155 F C 0.414 176.275 175.800 0.101 0.000 1.104 155 F CA -1.087 56.983 58.000 0.117 0.000 1.126 155 F CB 0.280 39.371 39.000 0.152 0.000 1.145 155 F HN -0.109 nan 8.300 nan 0.000 0.541 156 L N 2.230 123.462 121.223 0.014 0.000 2.601 156 L HA 0.380 4.719 4.340 -0.001 0.000 0.277 156 L C 0.186 177.039 176.870 -0.028 0.000 1.219 156 L CA 0.291 55.042 54.840 -0.147 0.000 0.915 156 L CB 0.313 41.983 42.059 -0.648 0.000 1.160 156 L HN 0.167 nan 8.230 nan 0.000 0.494 157 A N 6.985 129.835 122.820 0.050 0.000 2.375 157 A HA 0.635 4.955 4.320 -0.001 0.000 0.291 157 A C -0.896 176.711 177.584 0.038 0.000 1.160 157 A CA -0.480 51.593 52.037 0.060 0.000 0.747 157 A CB 0.580 19.641 19.000 0.102 0.000 1.170 157 A HN 0.675 nan 8.150 nan 0.000 0.458 158 L N 3.510 124.746 121.223 0.022 0.000 2.435 158 L HA 0.260 4.600 4.340 -0.001 0.000 0.253 158 L C 0.064 176.976 176.870 0.071 0.000 1.087 158 L CA -0.749 54.109 54.840 0.030 0.000 0.950 158 L CB 0.396 42.443 42.059 -0.020 0.000 1.304 158 L HN 0.854 nan 8.230 nan 0.000 0.453 159 H N 1.913 120.989 119.070 0.009 0.000 3.094 159 H HA 0.255 4.811 4.556 -0.001 0.000 0.320 159 H C 1.179 176.516 175.328 0.014 0.000 1.000 159 H CA 1.571 57.631 56.048 0.019 0.000 1.413 159 H CB 0.763 30.539 29.762 0.022 0.000 1.405 159 H HN 0.699 nan 8.280 nan 0.000 0.586 160 G N 2.690 111.217 108.800 -0.456 0.000 2.313 160 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.215 160 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.215 160 G C 0.458 175.276 174.900 -0.137 0.000 1.023 160 G CA 0.203 45.128 45.100 -0.291 0.000 0.626 160 G HN 0.907 nan 8.290 nan 0.000 0.503 161 S N 0.293 115.946 115.700 -0.079 0.000 2.565 161 S HA 0.574 5.043 4.470 -0.001 0.000 0.274 161 S C 1.088 175.678 174.600 -0.017 0.000 1.309 161 S CA 0.143 58.323 58.200 -0.032 0.000 1.043 161 S CB 1.430 64.622 63.200 -0.012 0.000 0.939 161 S HN 0.227 nan 8.310 nan 0.000 0.504 162 Q N 1.884 121.684 119.800 -0.001 0.000 2.356 162 Q HA 0.170 4.510 4.340 -0.001 0.000 0.205 162 Q C 1.027 177.049 176.000 0.038 0.000 0.901 162 Q CA 0.400 56.212 55.803 0.015 0.000 0.938 162 Q CB 0.226 28.971 28.738 0.011 0.000 1.081 162 Q HN 0.714 nan 8.270 nan 0.000 0.517 163 E N 0.084 120.311 120.200 0.046 0.000 2.250 163 E HA 0.096 4.446 4.350 -0.001 0.000 0.192 163 E C 0.132 176.799 176.600 0.111 0.000 0.986 163 E CA 0.396 56.842 56.400 0.078 0.000 0.849 163 E CB 0.600 30.351 29.700 0.085 0.000 0.797 163 E HN 0.105 nan 8.360 nan 0.000 0.482 164 A N 1.717 124.578 122.820 0.069 0.000 3.409 164 A HA 0.302 4.622 4.320 -0.001 0.000 0.282 164 A C -2.142 175.461 177.584 0.031 0.000 1.064 164 A CA -0.883 51.183 52.037 0.048 0.000 0.889 164 A CB 0.638 19.590 19.000 -0.080 0.000 1.251 164 A HN -0.124 nan 8.150 nan 0.000 0.538 165 P HA 0.190 nan 4.420 nan 0.000 0.236 165 P C 0.887 178.252 177.300 0.109 0.000 1.177 165 P CA 1.650 64.797 63.100 0.078 0.000 0.773 165 P CB 0.250 31.998 31.700 0.081 0.000 0.878 166 G N 0.642 109.490 108.800 0.079 0.000 2.663 166 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.686 166 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.686 166 G C -0.096 174.841 174.900 0.062 0.000 1.288 166 G CA -0.277 44.879 45.100 0.093 0.000 0.836 166 G HN 0.076 nan 8.290 nan 0.000 0.584 167 N N -2.542 116.209 118.700 0.085 0.000 2.863 167 N HA -0.290 4.450 4.740 -0.001 0.000 0.245 167 N C 1.954 177.367 175.510 -0.162 0.000 1.001 167 N CA 2.659 55.703 53.050 -0.010 0.000 0.901 167 N CB -1.651 36.763 38.487 -0.122 0.000 1.124 167 N HN 1.913 nan 8.380 nan 0.000 0.582 168 V N -2.668 117.127 119.914 -0.199 0.000 2.515 168 V HA 0.013 4.133 4.120 -0.001 0.000 0.250 168 V C 2.363 178.343 176.094 -0.190 0.000 1.058 168 V CA 2.323 64.541 62.300 -0.136 0.000 1.064 168 V CB -1.033 30.756 31.823 -0.056 0.000 0.675 168 V HN 0.272 nan 8.190 nan 0.000 0.461 169 G N 0.668 109.152 108.800 -0.527 0.000 2.469 169 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.220 169 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.220 169 G C 1.564 176.469 174.900 0.008 0.000 1.136 169 G CA 1.382 46.296 45.100 -0.311 0.000 0.759 169 G HN 0.547 nan 8.290 nan 0.000 0.562 170 L N -0.204 120.997 121.223 -0.036 0.000 2.093 170 L HA 0.055 4.395 4.340 -0.001 0.000 0.208 170 L C 2.865 179.815 176.870 0.133 0.000 1.085 170 L CA 0.405 55.208 54.840 -0.062 0.000 0.755 170 L CB -0.313 41.393 42.059 -0.589 0.000 0.904 170 L HN 0.187 nan 8.230 nan 0.000 0.435 171 L N -0.554 120.733 121.223 0.107 0.000 2.141 171 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 171 L C 2.196 179.171 176.870 0.175 0.000 1.094 171 L CA 0.855 55.812 54.840 0.195 0.000 0.763 171 L CB -0.668 41.479 42.059 0.146 0.000 0.908 171 L HN 0.289 nan 8.230 nan 0.000 0.437 172 D N 0.052 120.554 120.400 0.169 0.000 2.104 172 D HA -0.216 4.424 4.640 -0.001 0.000 0.194 172 D C 2.265 178.677 176.300 0.186 0.000 0.994 172 D CA 1.229 55.398 54.000 0.281 0.000 0.830 172 D CB -0.220 40.778 40.800 0.330 0.000 0.959 172 D HN 0.405 nan 8.370 nan 0.000 0.452 173 Q N 0.039 119.903 119.800 0.108 0.000 2.084 173 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 173 Q C 2.307 178.236 176.000 -0.118 0.000 0.978 173 Q CA 0.965 56.747 55.803 -0.035 0.000 0.844 173 Q CB -0.036 28.705 28.738 0.004 0.000 0.898 173 Q HN 0.212 nan 8.270 nan 0.000 0.426 174 R N 0.685 121.197 120.500 0.021 0.000 2.081 174 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 174 R C 2.226 178.512 176.300 -0.024 0.000 1.131 174 R CA 1.407 57.492 56.100 -0.026 0.000 0.960 174 R CB -0.199 30.188 30.300 0.144 0.000 0.856 174 R HN 0.270 nan 8.270 nan 0.000 0.436 175 M N 0.216 119.840 119.600 0.041 0.000 2.149 175 M HA -0.163 4.316 4.480 -0.001 0.000 0.261 175 M C 2.104 178.377 176.300 -0.044 0.000 1.064 175 M CA 2.100 57.457 55.300 0.096 0.000 1.102 175 M CB -0.079 32.681 32.600 0.268 0.000 1.369 175 M HN 0.331 nan 8.290 nan 0.000 0.408 176 A N 0.271 122.802 122.820 -0.481 0.000 1.898 176 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 176 A C 1.977 179.435 177.584 -0.210 0.000 1.181 176 A CA 1.363 52.934 52.037 -0.777 0.000 0.620 176 A CB -0.936 17.325 19.000 -1.232 0.000 0.819 176 A HN 0.582 nan 8.150 nan 0.000 0.442 177 L N -1.010 120.121 121.223 -0.154 0.000 2.093 177 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 177 L C 2.822 179.736 176.870 0.072 0.000 1.085 177 L CA 1.610 56.429 54.840 -0.035 0.000 0.755 177 L CB -0.489 41.510 42.059 -0.101 0.000 0.904 177 L HN 0.473 nan 8.230 nan 0.000 0.435 178 Q N -0.232 119.606 119.800 0.064 0.000 2.084 178 Q HA -0.261 4.078 4.340 -0.001 0.000 0.202 178 Q C 2.013 178.134 176.000 0.202 0.000 0.978 178 Q CA 2.003 57.871 55.803 0.108 0.000 0.844 178 Q CB -0.459 28.333 28.738 0.090 0.000 0.898 178 Q HN 0.505 nan 8.270 nan 0.000 0.426 179 W N -0.867 120.455 121.300 0.035 0.000 2.418 179 W HA -0.087 4.572 4.660 -0.001 0.000 0.292 179 W C 1.766 178.332 176.519 0.079 0.000 1.213 179 W CA 1.306 58.695 57.345 0.073 0.000 1.283 179 W CB 0.009 29.514 29.460 0.074 0.000 1.119 179 W HN -0.007 nan 8.180 nan 0.000 0.542 180 V N 0.168 120.331 119.914 0.415 0.000 2.287 180 V HA -0.396 3.724 4.120 -0.001 0.000 0.248 180 V C 2.193 178.344 176.094 0.095 0.000 1.053 180 V CA 2.500 64.954 62.300 0.256 0.000 1.027 180 V CB -1.463 30.485 31.823 0.207 0.000 0.646 180 V HN 0.352 nan 8.190 nan 0.000 0.447 181 H N 0.384 119.468 119.070 0.022 0.000 2.352 181 H HA -0.179 4.376 4.556 -0.001 0.000 0.299 181 H C 1.947 177.221 175.328 -0.090 0.000 1.097 181 H CA 2.194 58.228 56.048 -0.023 0.000 1.311 181 H CB -0.078 29.680 29.762 -0.006 0.000 1.377 181 H HN 0.417 nan 8.280 nan 0.000 0.504 182 D N -0.847 119.511 120.400 -0.070 0.000 2.234 182 D HA -0.046 4.594 4.640 -0.001 0.000 0.205 182 D C 1.081 177.207 176.300 -0.291 0.000 0.962 182 D CA 0.787 54.682 54.000 -0.175 0.000 0.855 182 D CB 0.095 40.819 40.800 -0.126 0.000 0.951 182 D HN 0.509 nan 8.370 nan 0.000 0.500 183 N N -0.333 118.138 118.700 -0.381 0.000 2.168 183 N HA 0.038 4.777 4.740 -0.001 0.000 0.216 183 N C 1.448 176.902 175.510 -0.093 0.000 1.259 183 N CA -0.144 52.716 53.050 -0.317 0.000 0.902 183 N CB 1.130 39.069 38.487 -0.915 0.000 1.079 183 N HN 0.014 nan 8.380 nan 0.000 0.507 184 I N 3.212 123.741 120.570 -0.068 0.000 2.454 184 I HA -0.264 3.906 4.170 -0.001 0.000 0.254 184 I C 2.618 178.748 176.117 0.022 0.000 1.156 184 I CA 1.354 62.728 61.300 0.124 0.000 1.433 184 I CB -0.181 37.867 38.000 0.079 0.000 1.082 184 I HN 0.195 nan 8.210 nan 0.000 0.432 185 Q N -0.431 119.190 119.800 -0.298 0.000 2.197 185 Q HA -0.267 4.072 4.340 -0.001 0.000 0.207 185 Q C 1.902 177.655 176.000 -0.411 0.000 0.984 185 Q CA 1.926 57.478 55.803 -0.419 0.000 0.869 185 Q CB -0.957 27.400 28.738 -0.634 0.000 0.906 185 Q HN 0.449 nan 8.270 nan 0.000 0.426 186 F N -0.276 119.601 119.950 -0.121 0.000 2.502 186 F HA 0.097 4.623 4.527 -0.001 0.000 0.298 186 F C 1.062 176.607 175.800 -0.424 0.000 1.111 186 F CA 0.348 58.169 58.000 -0.298 0.000 1.445 186 F CB -0.144 38.595 39.000 -0.435 0.000 1.081 186 F HN -0.003 nan 8.300 nan 0.000 0.558 187 F N -0.526 119.429 119.950 0.009 0.000 2.727 187 F HA 0.407 4.933 4.527 -0.001 0.000 0.302 187 F C 1.798 177.608 175.800 0.016 0.000 1.097 187 F CA 0.347 58.330 58.000 -0.029 0.000 1.330 187 F CB -0.060 38.900 39.000 -0.066 0.000 1.084 187 F HN 0.030 nan 8.300 nan 0.000 0.578 188 G N 0.378 109.245 108.800 0.111 0.000 2.141 188 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.231 188 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.231 188 G C 0.523 175.466 174.900 0.072 0.000 0.984 188 G CA -0.262 44.883 45.100 0.075 0.000 0.660 188 G HN 0.715 nan 8.290 nan 0.000 0.525 189 G N -0.542 108.305 108.800 0.079 0.000 2.425 189 G HA2 0.511 4.471 3.960 -0.001 0.000 0.302 189 G HA3 0.511 4.471 3.960 -0.001 0.000 0.302 189 G C -0.738 174.155 174.900 -0.012 0.000 1.159 189 G CA 0.215 45.347 45.100 0.055 0.000 0.865 189 G HN 0.278 nan 8.290 nan 0.000 0.515 190 D N 1.419 121.812 120.400 -0.012 0.000 2.380 190 D HA 0.271 4.911 4.640 -0.001 0.000 0.230 190 D C -1.172 175.101 176.300 -0.046 0.000 1.154 190 D CA -2.433 51.540 54.000 -0.044 0.000 0.859 190 D CB 1.818 42.600 40.800 -0.030 0.000 1.045 190 D HN 0.061 nan 8.370 nan 0.000 0.495 191 P HA -0.072 nan 4.420 nan 0.000 0.234 191 P C 0.529 177.805 177.300 -0.040 0.000 1.167 191 P CA 0.448 63.488 63.100 -0.100 0.000 0.763 191 P CB 0.355 31.886 31.700 -0.282 0.000 0.835 192 K N -0.568 119.806 120.400 -0.043 0.000 2.404 192 K HA 0.157 4.476 4.320 -0.001 0.000 0.194 192 K C 0.347 176.944 176.600 -0.004 0.000 1.023 192 K CA 0.481 56.761 56.287 -0.013 0.000 1.094 192 K CB 0.009 32.490 32.500 -0.032 0.000 0.841 192 K HN 0.088 nan 8.250 nan 0.000 0.523 193 T N 0.856 115.411 114.554 0.003 0.000 3.732 193 T HA 0.215 4.565 4.350 -0.001 0.000 0.234 193 T C -0.364 174.357 174.700 0.034 0.000 1.146 193 T CA -0.347 61.754 62.100 0.002 0.000 1.454 193 T CB 0.681 69.536 68.868 -0.021 0.000 0.910 193 T HN -0.299 nan 8.240 nan 0.000 0.640 194 V N 2.215 122.177 119.914 0.080 0.000 2.406 194 V HA 0.370 4.489 4.120 -0.001 0.000 0.272 194 V C 0.556 176.748 176.094 0.164 0.000 1.043 194 V CA -0.350 62.026 62.300 0.126 0.000 0.915 194 V CB 1.256 33.178 31.823 0.166 0.000 0.988 194 V HN 0.494 nan 8.190 nan 0.000 0.466 195 T N 6.772 121.407 114.554 0.135 0.000 2.744 195 T HA 0.509 4.859 4.350 -0.001 0.000 0.291 195 T C 0.063 174.882 174.700 0.199 0.000 0.957 195 T CA -0.119 62.078 62.100 0.161 0.000 1.002 195 T CB 0.513 69.437 68.868 0.093 0.000 0.919 195 T HN 0.625 nan 8.240 nan 0.000 0.468 196 I N 2.380 123.037 120.570 0.145 0.000 2.395 196 I HA 0.763 4.933 4.170 -0.001 0.000 0.289 196 I C -0.701 175.570 176.117 0.257 0.000 1.023 196 I CA -0.754 60.603 61.300 0.097 0.000 1.350 196 I CB 0.381 38.224 38.000 -0.261 0.000 1.409 196 I HN 0.452 nan 8.210 nan 0.000 0.507 197 F N 3.780 123.766 119.950 0.059 0.000 2.613 197 F HA 1.012 5.538 4.527 -0.001 0.000 0.310 197 F C -0.442 175.351 175.800 -0.011 0.000 1.085 197 F CA -1.383 56.693 58.000 0.125 0.000 0.945 197 F CB 1.392 40.578 39.000 0.309 0.000 1.298 197 F HN 0.820 nan 8.300 nan 0.000 0.455 198 G N 1.233 109.893 108.800 -0.233 0.000 2.632 198 G HA2 0.466 4.426 3.960 -0.001 0.000 0.292 198 G HA3 0.466 4.426 3.960 -0.001 0.000 0.292 198 G C -2.564 172.116 174.900 -0.368 0.000 1.465 198 G CA -0.811 43.786 45.100 -0.839 0.000 0.824 198 G HN 0.863 nan 8.290 nan 0.000 0.509 199 E N 0.679 120.623 120.200 -0.427 0.000 2.199 199 E HA 0.634 4.984 4.350 -0.001 0.000 0.269 199 E C 0.631 177.197 176.600 -0.056 0.000 0.899 199 E CA 0.394 56.790 56.400 -0.007 0.000 0.772 199 E CB 1.941 31.800 29.700 0.265 0.000 1.155 199 E HN 0.939 nan 8.360 nan 0.000 0.408 200 S N 3.172 118.911 115.700 0.065 0.000 4.069 200 S HA -0.381 4.088 4.470 -0.001 0.000 0.626 200 S C 1.479 176.187 174.600 0.180 0.000 2.000 200 S CA 1.859 60.170 58.200 0.185 0.000 4.174 200 S CB -1.660 61.603 63.200 0.104 0.000 0.210 200 S HN 1.005 nan 8.310 nan 0.000 0.602 201 A N 0.963 123.792 122.820 0.015 0.000 1.997 201 A HA 0.015 4.334 4.320 -0.001 0.000 0.221 201 A C 2.486 179.839 177.584 -0.386 0.000 1.172 201 A CA 2.845 54.671 52.037 -0.352 0.000 0.645 201 A CB -1.641 16.759 19.000 -1.000 0.000 0.813 201 A HN 1.717 nan 8.150 nan 0.000 0.454 202 G N -1.078 107.543 108.800 -0.297 0.000 2.403 202 G HA2 0.123 4.083 3.960 -0.001 0.000 0.216 202 G HA3 0.123 4.083 3.960 -0.001 0.000 0.216 202 G C 1.456 176.184 174.900 -0.287 0.000 1.154 202 G CA 1.133 46.010 45.100 -0.372 0.000 0.784 202 G HN 0.694 nan 8.290 nan 0.000 0.538 203 G N 1.111 109.806 108.800 -0.175 0.000 2.402 203 G HA2 0.094 4.054 3.960 -0.001 0.000 0.216 203 G HA3 0.094 4.054 3.960 -0.001 0.000 0.216 203 G C 2.047 176.852 174.900 -0.159 0.000 1.162 203 G CA 1.427 46.454 45.100 -0.121 0.000 0.777 203 G HN 0.571 nan 8.290 nan 0.000 0.539 204 A N 0.919 123.672 122.820 -0.112 0.000 1.883 204 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 204 A C 2.698 180.213 177.584 -0.116 0.000 1.186 204 A CA 2.353 54.297 52.037 -0.154 0.000 0.624 204 A CB -0.790 18.148 19.000 -0.103 0.000 0.822 204 A HN 0.307 nan 8.150 nan 0.000 0.444 205 S N -0.548 115.107 115.700 -0.074 0.000 2.359 205 S HA -0.171 4.299 4.470 -0.001 0.000 0.223 205 S C 1.925 176.411 174.600 -0.190 0.000 1.039 205 S CA 1.528 59.647 58.200 -0.136 0.000 1.042 205 S CB -0.606 62.477 63.200 -0.196 0.000 0.915 205 S HN 0.354 nan 8.310 nan 0.000 0.439 206 V N 1.394 121.219 119.914 -0.148 0.000 2.282 206 V HA -0.220 3.900 4.120 -0.001 0.000 0.249 206 V C 2.532 178.555 176.094 -0.118 0.000 1.057 206 V CA 2.103 64.327 62.300 -0.127 0.000 1.032 206 V CB -1.370 30.368 31.823 -0.142 0.000 0.645 206 V HN 0.621 nan 8.190 nan 0.000 0.447 207 G N -1.466 107.216 108.800 -0.197 0.000 2.448 207 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.218 207 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.218 207 G C 1.567 176.448 174.900 -0.032 0.000 1.135 207 G CA 0.645 45.606 45.100 -0.231 0.000 0.784 207 G HN 0.448 nan 8.290 nan 0.000 0.543 208 M N -0.012 119.572 119.600 -0.026 0.000 2.175 208 M HA 0.006 4.485 4.480 -0.001 0.000 0.264 208 M C 2.284 178.688 176.300 0.173 0.000 1.063 208 M CA 0.909 56.317 55.300 0.180 0.000 1.119 208 M CB -0.282 32.440 32.600 0.204 0.000 1.377 208 M HN 0.172 nan 8.290 nan 0.000 0.415 209 H N 0.005 119.191 119.070 0.193 0.000 2.428 209 H HA 0.032 4.588 4.556 -0.001 0.000 0.296 209 H C 2.127 177.663 175.328 0.347 0.000 1.062 209 H CA 1.278 57.436 56.048 0.183 0.000 1.350 209 H CB -0.329 29.424 29.762 -0.015 0.000 1.403 209 H HN 0.411 nan 8.280 nan 0.000 0.533 210 I N 0.464 121.315 120.570 0.468 0.000 2.286 210 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 210 I C 2.198 178.564 176.117 0.414 0.000 1.115 210 I CA 1.014 62.634 61.300 0.533 0.000 1.392 210 I CB -0.119 38.145 38.000 0.440 0.000 1.065 210 I HN 0.110 nan 8.210 nan 0.000 0.418 211 L N -0.606 120.819 121.223 0.338 0.000 2.102 211 L HA -0.027 4.312 4.340 -0.001 0.000 0.202 211 L C 1.543 178.515 176.870 0.170 0.000 1.076 211 L CA 0.333 55.365 54.840 0.319 0.000 0.761 211 L CB -0.258 42.020 42.059 0.365 0.000 0.921 211 L HN 0.053 nan 8.230 nan 0.000 0.444 212 S N 0.227 115.939 115.700 0.021 0.000 2.481 212 S HA 0.085 4.555 4.470 -0.001 0.000 0.282 212 S C -1.477 172.999 174.600 -0.206 0.000 1.243 212 S CA -1.344 56.667 58.200 -0.316 0.000 1.078 212 S CB 0.754 63.311 63.200 -1.071 0.000 0.916 212 S HN -0.074 nan 8.310 nan 0.000 0.495 213 P HA -0.100 nan 4.420 nan 0.000 0.217 213 P C 1.416 178.626 177.300 -0.151 0.000 1.151 213 P CA 1.309 64.337 63.100 -0.120 0.000 0.849 213 P CB -0.134 31.503 31.700 -0.105 0.000 0.787 214 G N -1.694 106.962 108.800 -0.238 0.000 2.559 214 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.216 214 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.216 214 G C 1.369 176.178 174.900 -0.152 0.000 1.126 214 G CA 0.627 45.603 45.100 -0.206 0.000 0.778 214 G HN 0.251 nan 8.290 nan 0.000 0.543 215 S N -0.777 114.852 115.700 -0.117 0.000 2.524 215 S HA 0.136 4.606 4.470 -0.001 0.000 0.222 215 S C 2.137 176.814 174.600 0.128 0.000 1.040 215 S CA -0.484 57.747 58.200 0.052 0.000 0.915 215 S CB 0.277 63.628 63.200 0.252 0.000 0.831 215 S HN 0.322 nan 8.310 nan 0.000 0.492 216 R N 1.824 122.340 120.500 0.027 0.000 2.117 216 R HA -0.115 4.224 4.340 -0.001 0.000 0.243 216 R C 0.729 176.807 176.300 -0.369 0.000 1.143 216 R CA 1.650 57.668 56.100 -0.137 0.000 0.968 216 R CB -0.347 29.897 30.300 -0.094 0.000 0.863 216 R HN 0.295 nan 8.270 nan 0.000 0.444 217 D N 0.139 120.407 120.400 -0.221 0.000 2.355 217 D HA -0.002 4.638 4.640 -0.001 0.000 0.218 217 D C 1.365 177.527 176.300 -0.230 0.000 1.004 217 D CA 0.613 54.476 54.000 -0.228 0.000 0.880 217 D CB 0.151 40.844 40.800 -0.179 0.000 0.911 217 D HN 0.222 nan 8.370 nan 0.000 0.528 218 L N -0.131 121.001 121.223 -0.152 0.000 2.591 218 L HA 0.159 4.498 4.340 -0.001 0.000 0.228 218 L C -0.017 176.968 176.870 0.192 0.000 1.133 218 L CA 0.002 54.824 54.840 -0.031 0.000 0.880 218 L CB -0.414 41.650 42.059 0.009 0.000 1.033 218 L HN -0.053 nan 8.230 nan 0.000 0.450 219 F N -4.068 115.887 119.950 0.007 0.000 2.711 219 F HA 0.560 5.087 4.527 -0.001 0.000 0.313 219 F C 0.443 176.269 175.800 0.043 0.000 1.141 219 F CA -1.365 56.658 58.000 0.038 0.000 0.941 219 F CB 1.229 40.251 39.000 0.036 0.000 1.349 219 F HN -0.387 nan 8.300 nan 0.000 0.464 220 R N 0.672 121.264 120.500 0.154 0.000 2.103 220 R HA 0.463 4.803 4.340 -0.001 0.000 0.212 220 R C -0.133 176.230 176.300 0.105 0.000 1.107 220 R CA 1.072 57.190 56.100 0.030 0.000 1.025 220 R CB 0.302 30.617 30.300 0.024 0.000 0.929 220 R HN 0.846 nan 8.270 nan 0.000 0.456 221 R N -1.523 119.140 120.500 0.271 0.000 2.810 221 R HA 0.794 5.134 4.340 -0.001 0.000 0.266 221 R C -1.665 174.883 176.300 0.414 0.000 1.061 221 R CA -0.829 55.449 56.100 0.296 0.000 0.943 221 R CB 1.267 31.589 30.300 0.035 0.000 1.237 221 R HN 0.046 nan 8.270 nan 0.000 0.459 222 A N 0.913 123.978 122.820 0.409 0.000 2.520 222 A HA 0.709 5.029 4.320 -0.001 0.000 0.298 222 A C -1.172 176.517 177.584 0.175 0.000 1.051 222 A CA -0.853 51.338 52.037 0.257 0.000 0.690 222 A CB 1.466 20.575 19.000 0.181 0.000 1.281 222 A HN 0.605 nan 8.150 nan 0.000 0.402 223 I N 1.866 122.495 120.570 0.098 0.000 2.466 223 I HA 0.400 4.570 4.170 -0.001 0.000 0.289 223 I C -1.435 174.719 176.117 0.062 0.000 1.026 223 I CA -0.666 60.618 61.300 -0.028 0.000 1.078 223 I CB 1.937 39.892 38.000 -0.074 0.000 1.249 223 I HN 0.438 nan 8.210 nan 0.000 0.429 224 L N 6.584 127.815 121.223 0.013 0.000 2.319 224 L HA 0.430 4.769 4.340 -0.001 0.000 0.281 224 L C -0.476 176.474 176.870 0.134 0.000 1.005 224 L CA -0.248 54.605 54.840 0.022 0.000 0.828 224 L CB 1.463 43.462 42.059 -0.101 0.000 1.227 224 L HN 0.492 nan 8.230 nan 0.000 0.415 225 Q N 1.916 121.851 119.800 0.225 0.000 2.372 225 Q HA 0.489 4.829 4.340 -0.001 0.000 0.259 225 Q C 0.102 176.233 176.000 0.219 0.000 0.993 225 Q CA -0.514 55.497 55.803 0.347 0.000 0.854 225 Q CB 1.397 30.447 28.738 0.520 0.000 1.231 225 Q HN 0.642 nan 8.270 nan 0.000 0.462 226 S N 1.021 116.833 115.700 0.187 0.000 3.682 226 S HA -0.151 4.319 4.470 -0.001 0.000 0.354 226 S C -0.021 174.725 174.600 0.244 0.000 1.034 226 S CA 0.571 58.901 58.200 0.218 0.000 1.084 226 S CB -1.131 62.230 63.200 0.270 0.000 0.903 226 S HN 0.994 nan 8.310 nan 0.000 0.470 227 G N -0.365 108.517 108.800 0.136 0.000 2.556 227 G HA2 0.625 4.585 3.960 -0.001 0.000 0.294 227 G HA3 0.625 4.585 3.960 -0.001 0.000 0.294 227 G C -1.000 173.845 174.900 -0.093 0.000 1.516 227 G CA 0.210 45.390 45.100 0.133 0.000 0.824 227 G HN 1.186 nan 8.290 nan 0.000 0.535 228 S N 0.580 116.145 115.700 -0.224 0.000 2.596 228 S HA 0.797 5.266 4.470 -0.001 0.000 0.270 228 S C -2.377 171.933 174.600 -0.483 0.000 1.155 228 S CA -1.052 56.877 58.200 -0.452 0.000 0.827 228 S CB 2.908 65.836 63.200 -0.454 0.000 1.130 228 S HN 0.397 nan 8.310 nan 0.000 0.467 229 P HA -0.053 nan 4.420 nan 0.000 0.223 229 P C 0.608 177.678 177.300 -0.384 0.000 1.151 229 P CA 1.102 63.968 63.100 -0.389 0.000 0.787 229 P CB -0.323 31.205 31.700 -0.287 0.000 0.788 230 N N -0.766 117.738 118.700 -0.326 0.000 2.383 230 N HA -0.026 4.713 4.740 -0.001 0.000 0.192 230 N C 0.057 175.332 175.510 -0.393 0.000 1.141 230 N CA -0.177 52.710 53.050 -0.271 0.000 0.851 230 N CB -1.428 37.019 38.487 -0.067 0.000 0.976 230 N HN -0.000 nan 8.380 nan 0.000 0.465 231 C N 3.052 122.004 119.300 -0.580 0.000 2.563 231 C HA 0.055 4.514 4.460 -0.001 0.000 0.411 231 C C -0.218 174.267 174.990 -0.841 0.000 1.386 231 C CA -0.854 57.666 59.018 -0.830 0.000 1.703 231 C CB 0.866 27.762 27.740 -1.406 0.000 2.596 231 C HN 0.377 nan 8.230 nan 0.000 0.605 232 P HA -0.103 nan 4.420 nan 0.000 0.222 232 P C 1.215 178.327 177.300 -0.314 0.000 1.147 232 P CA 1.695 64.526 63.100 -0.448 0.000 0.790 232 P CB -0.089 31.360 31.700 -0.419 0.000 0.780 233 W N -1.168 119.996 121.300 -0.227 0.000 3.197 233 W HA 0.539 5.199 4.660 -0.001 0.000 0.274 233 W C 1.071 177.623 176.519 0.054 0.000 1.297 233 W CA 0.369 57.653 57.345 -0.101 0.000 1.662 233 W CB -1.048 28.371 29.460 -0.068 0.000 1.106 233 W HN -0.111 nan 8.180 nan 0.000 0.663 234 A N 1.250 123.783 122.820 -0.478 0.000 2.195 234 A HA 0.217 4.537 4.320 -0.001 0.000 0.210 234 A C 0.972 178.343 177.584 -0.356 0.000 1.165 234 A CA 0.982 52.807 52.037 -0.353 0.000 0.806 234 A CB -0.474 18.055 19.000 -0.786 0.000 0.847 234 A HN 0.191 nan 8.150 nan 0.000 0.482 235 S N -1.456 114.037 115.700 -0.344 0.000 2.596 235 S HA 0.660 5.130 4.470 -0.001 0.000 0.270 235 S C -0.793 173.656 174.600 -0.251 0.000 1.155 235 S CA -0.070 57.918 58.200 -0.353 0.000 0.827 235 S CB 1.362 64.287 63.200 -0.459 0.000 1.130 235 S HN 1.248 nan 8.310 nan 0.000 0.467 236 V N -0.745 119.040 119.914 -0.214 0.000 3.102 236 V HA 0.925 5.045 4.120 -0.001 0.000 0.312 236 V C 0.376 176.381 176.094 -0.148 0.000 1.135 236 V CA -0.429 61.774 62.300 -0.162 0.000 1.022 236 V CB 1.120 32.865 31.823 -0.131 0.000 1.056 236 V HN 1.519 nan 8.190 nan 0.000 0.436 237 S N 1.034 116.660 115.700 -0.124 0.000 2.587 237 S HA 0.181 4.651 4.470 -0.001 0.000 0.260 237 S C 0.929 175.474 174.600 -0.091 0.000 1.353 237 S CA 0.411 58.547 58.200 -0.107 0.000 0.995 237 S CB 1.164 64.312 63.200 -0.086 0.000 0.912 237 S HN 1.100 nan 8.310 nan 0.000 0.568 238 V N 1.791 121.646 119.914 -0.098 0.000 2.667 238 V HA -0.035 4.084 4.120 -0.001 0.000 0.252 238 V C 2.753 178.828 176.094 -0.031 0.000 1.065 238 V CA 1.967 64.217 62.300 -0.085 0.000 1.083 238 V CB -1.419 30.281 31.823 -0.206 0.000 0.692 238 V HN 0.997 nan 8.190 nan 0.000 0.468 239 A N -0.025 122.773 122.820 -0.037 0.000 1.898 239 A HA -0.223 4.096 4.320 -0.001 0.000 0.216 239 A C 2.159 179.719 177.584 -0.040 0.000 1.181 239 A CA 1.939 53.960 52.037 -0.026 0.000 0.620 239 A CB -0.439 18.545 19.000 -0.027 0.000 0.819 239 A HN 0.549 nan 8.150 nan 0.000 0.442 240 E N 0.134 120.298 120.200 -0.060 0.000 2.106 240 E HA -0.028 4.322 4.350 -0.001 0.000 0.192 240 E C 1.937 178.489 176.600 -0.080 0.000 0.984 240 E CA 1.539 57.889 56.400 -0.083 0.000 0.806 240 E CB -0.769 28.870 29.700 -0.103 0.000 0.750 240 E HN 0.387 nan 8.360 nan 0.000 0.458 241 G N 0.581 109.348 108.800 -0.054 0.000 2.418 241 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.217 241 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.217 241 G C 1.755 176.661 174.900 0.009 0.000 1.158 241 G CA 0.811 45.901 45.100 -0.017 0.000 0.771 241 G HN 0.313 nan 8.290 nan 0.000 0.545 242 R N 0.229 120.732 120.500 0.005 0.000 2.073 242 R HA -0.014 4.326 4.340 -0.001 0.000 0.234 242 R C 2.577 178.872 176.300 -0.009 0.000 1.134 242 R CA 1.501 57.605 56.100 0.008 0.000 0.952 242 R CB -0.376 29.933 30.300 0.015 0.000 0.850 242 R HN 0.294 nan 8.270 nan 0.000 0.433 243 R N 0.344 120.826 120.500 -0.030 0.000 2.091 243 R HA -0.139 4.201 4.340 -0.001 0.000 0.238 243 R C 2.239 178.508 176.300 -0.051 0.000 1.136 243 R CA 1.889 57.962 56.100 -0.045 0.000 0.959 243 R CB -0.083 30.177 30.300 -0.068 0.000 0.856 243 R HN 0.288 nan 8.270 nan 0.000 0.437 244 R N -0.393 120.065 120.500 -0.070 0.000 2.092 244 R HA -0.027 4.313 4.340 -0.001 0.000 0.231 244 R C 2.317 178.647 176.300 0.050 0.000 1.119 244 R CA 1.091 57.134 56.100 -0.094 0.000 0.970 244 R CB -0.235 29.907 30.300 -0.263 0.000 0.864 244 R HN 0.231 nan 8.270 nan 0.000 0.440 245 A N 0.892 123.773 122.820 0.101 0.000 1.877 245 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 245 A C 2.354 179.949 177.584 0.018 0.000 1.186 245 A CA 1.425 53.519 52.037 0.095 0.000 0.620 245 A CB -0.596 18.408 19.000 0.007 0.000 0.822 245 A HN 0.098 nan 8.150 nan 0.000 0.443 246 V N 0.099 120.013 119.914 0.000 0.000 2.332 246 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 246 V C 2.588 178.682 176.094 0.000 0.000 1.055 246 V CA 2.445 64.740 62.300 -0.008 0.000 1.038 246 V CB -0.832 30.985 31.823 -0.011 0.000 0.651 246 V HN 0.683 nan 8.190 nan 0.000 0.450 247 E N 0.243 120.443 120.200 0.000 0.000 2.118 247 E HA -0.232 4.118 4.350 -0.001 0.000 0.195 247 E C 1.923 178.539 176.600 0.026 0.000 0.992 247 E CA 1.280 57.681 56.400 0.001 0.000 0.804 247 E CB -0.447 29.238 29.700 -0.025 0.000 0.741 247 E HN 0.453 nan 8.360 nan 0.000 0.458 248 L N -0.195 121.066 121.223 0.062 0.000 2.012 248 L HA -0.038 4.302 4.340 -0.001 0.000 0.210 248 L C 2.240 179.126 176.870 0.027 0.000 1.073 248 L CA 2.386 57.275 54.840 0.081 0.000 0.748 248 L CB -1.083 41.058 42.059 0.137 0.000 0.891 248 L HN 0.268 nan 8.230 nan 0.000 0.431 249 G N -1.041 107.761 108.800 0.003 0.000 2.469 249 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.219 249 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.219 249 G C 1.808 176.714 174.900 0.011 0.000 1.150 249 G CA 0.968 46.067 45.100 -0.002 0.000 0.763 249 G HN 0.407 nan 8.290 nan 0.000 0.561 250 R N 0.384 120.891 120.500 0.012 0.000 2.081 250 R HA -0.037 4.303 4.340 -0.001 0.000 0.235 250 R C 2.311 178.623 176.300 0.021 0.000 1.131 250 R CA 1.331 57.440 56.100 0.014 0.000 0.960 250 R CB -0.344 29.962 30.300 0.010 0.000 0.856 250 R HN 0.345 nan 8.270 nan 0.000 0.436 251 N N 0.216 118.932 118.700 0.027 0.000 2.364 251 N HA -0.137 4.603 4.740 -0.001 0.000 0.183 251 N C 0.830 176.362 175.510 0.037 0.000 1.022 251 N CA 0.915 53.986 53.050 0.036 0.000 0.883 251 N CB 0.141 38.657 38.487 0.048 0.000 0.965 251 N HN 0.286 nan 8.380 nan 0.000 0.438 252 L N 0.380 121.621 121.223 0.031 0.000 2.910 252 L HA 0.191 4.530 4.340 -0.001 0.000 0.252 252 L C -0.499 176.388 176.870 0.027 0.000 1.195 252 L CA -0.118 54.740 54.840 0.031 0.000 1.003 252 L CB -0.187 41.888 42.059 0.027 0.000 1.328 252 L HN 0.057 nan 8.230 nan 0.000 0.540 253 N N -1.595 117.121 118.700 0.026 0.000 2.740 253 N HA -0.185 4.554 4.740 -0.001 0.000 0.248 253 N C -0.130 175.396 175.510 0.026 0.000 1.062 253 N CA 0.242 53.306 53.050 0.025 0.000 0.704 253 N CB -1.921 36.581 38.487 0.026 0.000 0.968 253 N HN 0.262 nan 8.380 nan 0.000 0.547 254 c N 0.740 119.355 118.600 0.024 0.000 2.534 254 c HA 0.249 4.818 4.570 -0.001 0.000 0.385 254 c C 1.297 175.404 174.090 0.029 0.000 1.264 254 c CA -0.993 55.353 56.329 0.029 0.000 2.342 254 c CB 0.671 43.194 42.510 0.023 0.000 2.564 254 c HN 0.461 nan 8.230 nan 0.000 0.603 255 N N 1.863 120.587 118.700 0.039 0.000 2.434 255 N HA 0.045 4.784 4.740 -0.001 0.000 0.268 255 N C 0.122 175.649 175.510 0.027 0.000 1.256 255 N CA 0.328 53.399 53.050 0.035 0.000 0.914 255 N CB 0.331 38.845 38.487 0.045 0.000 1.088 255 N HN 0.606 nan 8.380 nan 0.000 0.478 256 L N 3.208 124.442 121.223 0.018 0.000 2.741 256 L HA 0.173 4.513 4.340 -0.001 0.000 0.237 256 L C 1.511 178.386 176.870 0.009 0.000 1.178 256 L CA -0.088 54.759 54.840 0.011 0.000 0.973 256 L CB -0.252 41.811 42.059 0.007 0.000 1.255 256 L HN 0.537 nan 8.230 nan 0.000 0.498 257 N N -0.037 118.670 118.700 0.011 0.000 2.244 257 N HA -0.080 4.660 4.740 -0.001 0.000 0.183 257 N C 0.564 176.077 175.510 0.005 0.000 1.016 257 N CA 0.925 53.979 53.050 0.007 0.000 0.866 257 N CB 0.305 38.796 38.487 0.007 0.000 0.980 257 N HN 0.335 nan 8.380 nan 0.000 0.430 258 S N -1.212 114.493 115.700 0.007 0.000 2.579 258 S HA 0.270 4.740 4.470 -0.001 0.000 0.272 258 S C -0.244 174.361 174.600 0.007 0.000 1.141 258 S CA -0.921 57.282 58.200 0.005 0.000 0.843 258 S CB 1.891 65.094 63.200 0.004 0.000 1.122 258 S HN -0.168 nan 8.310 nan 0.000 0.468 259 D N 1.258 121.659 120.400 0.003 0.000 2.149 259 D HA -0.110 4.529 4.640 -0.001 0.000 0.194 259 D C 1.523 177.833 176.300 0.016 0.000 1.001 259 D CA 2.004 56.004 54.000 0.000 0.000 0.849 259 D CB -0.222 40.575 40.800 -0.005 0.000 0.939 259 D HN 0.709 nan 8.370 nan 0.000 0.449 260 E N 0.667 120.881 120.200 0.022 0.000 2.051 260 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 260 E C 2.077 178.719 176.600 0.069 0.000 0.991 260 E CA 0.876 57.300 56.400 0.041 0.000 0.799 260 E CB -0.223 29.488 29.700 0.019 0.000 0.748 260 E HN 0.401 nan 8.360 nan 0.000 0.449 261 E N -0.005 120.223 120.200 0.047 0.000 2.077 261 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 261 E C 1.889 178.548 176.600 0.097 0.000 0.989 261 E CA 0.722 57.163 56.400 0.069 0.000 0.800 261 E CB -0.103 29.618 29.700 0.035 0.000 0.746 261 E HN 0.081 nan 8.360 nan 0.000 0.452 262 L N 1.018 122.272 121.223 0.052 0.000 1.976 262 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 262 L C 2.010 178.898 176.870 0.030 0.000 1.071 262 L CA 1.650 56.506 54.840 0.026 0.000 0.746 262 L CB -0.477 41.575 42.059 -0.011 0.000 0.890 262 L HN 0.142 nan 8.230 nan 0.000 0.432 263 I N -0.847 119.742 120.570 0.032 0.000 2.163 263 I HA -0.371 3.798 4.170 -0.001 0.000 0.243 263 I C 2.574 178.783 176.117 0.152 0.000 1.085 263 I CA 1.723 63.062 61.300 0.064 0.000 1.347 263 I CB -0.623 37.423 38.000 0.076 0.000 1.044 263 I HN 0.493 nan 8.210 nan 0.000 0.408 264 H N 0.374 119.485 119.070 0.069 0.000 2.319 264 H HA -0.277 4.278 4.556 -0.001 0.000 0.297 264 H C 2.445 177.814 175.328 0.068 0.000 1.097 264 H CA 2.403 58.491 56.048 0.066 0.000 1.285 264 H CB -0.423 29.364 29.762 0.041 0.000 1.368 264 H HN 0.501 nan 8.280 nan 0.000 0.495 265 c N 0.134 118.748 118.600 0.023 0.000 2.432 265 c HA -0.103 4.467 4.570 -0.001 0.000 0.277 265 c C 2.771 176.845 174.090 -0.026 0.000 1.249 265 c CA 1.171 57.485 56.329 -0.024 0.000 1.725 265 c CB -1.463 41.077 42.510 0.051 0.000 2.028 265 c HN 0.685 nan 8.230 nan 0.000 0.477 266 L N 0.134 121.381 121.223 0.041 0.000 2.191 266 L HA -0.085 4.255 4.340 -0.001 0.000 0.212 266 L C 2.954 179.934 176.870 0.184 0.000 1.103 266 L CA 1.383 56.294 54.840 0.119 0.000 0.769 266 L CB -0.686 41.431 42.059 0.096 0.000 0.908 266 L HN 0.369 nan 8.230 nan 0.000 0.438 267 R N -0.433 120.140 120.500 0.121 0.000 2.193 267 R HA -0.072 4.267 4.340 -0.001 0.000 0.213 267 R C 1.903 178.152 176.300 -0.085 0.000 1.055 267 R CA 0.473 56.570 56.100 -0.005 0.000 0.995 267 R CB 0.103 30.395 30.300 -0.014 0.000 0.893 267 R HN 0.275 nan 8.270 nan 0.000 0.459 268 E N 0.691 120.813 120.200 -0.129 0.000 2.358 268 E HA -0.021 4.329 4.350 -0.001 0.000 0.195 268 E C 0.094 176.671 176.600 -0.038 0.000 1.010 268 E CA 0.709 57.042 56.400 -0.111 0.000 0.856 268 E CB 0.215 29.825 29.700 -0.150 0.000 0.795 268 E HN 0.098 nan 8.360 nan 0.000 0.504 269 K N 1.554 121.949 120.400 -0.008 0.000 2.237 269 K HA 0.186 4.506 4.320 -0.001 0.000 0.270 269 K C 0.375 177.002 176.600 0.046 0.000 1.015 269 K CA -0.194 56.108 56.287 0.024 0.000 0.949 269 K CB 0.877 33.401 32.500 0.039 0.000 0.976 269 K HN -0.119 nan 8.250 nan 0.000 0.472 270 K N 2.101 122.533 120.400 0.054 0.000 2.319 270 K HA 0.020 4.340 4.320 -0.001 0.000 0.265 270 K C -1.550 175.133 176.600 0.137 0.000 1.000 270 K CA -1.340 54.990 56.287 0.071 0.000 0.943 270 K CB 0.155 32.687 32.500 0.054 0.000 0.950 270 K HN 0.186 nan 8.250 nan 0.000 0.485 271 P HA -0.239 nan 4.420 nan 0.000 0.216 271 P C 1.041 178.535 177.300 0.323 0.000 1.157 271 P CA 1.280 64.594 63.100 0.356 0.000 0.880 271 P CB 0.245 32.008 31.700 0.105 0.000 0.791 272 Q N 0.047 119.957 119.800 0.183 0.000 2.291 272 Q HA -0.177 4.163 4.340 -0.001 0.000 0.206 272 Q C 1.864 177.956 176.000 0.153 0.000 0.976 272 Q CA 1.593 57.494 55.803 0.163 0.000 0.875 272 Q CB -0.768 28.034 28.738 0.106 0.000 0.927 272 Q HN 0.349 nan 8.270 nan 0.000 0.450 273 E N -0.820 119.456 120.200 0.128 0.000 2.072 273 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 273 E C 1.681 178.339 176.600 0.097 0.000 0.985 273 E CA 0.943 57.403 56.400 0.101 0.000 0.801 273 E CB -0.033 29.712 29.700 0.075 0.000 0.750 273 E HN 0.237 nan 8.360 nan 0.000 0.452 274 L N 0.723 122.000 121.223 0.090 0.000 2.046 274 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 274 L C 2.223 179.141 176.870 0.081 0.000 1.077 274 L CA 1.493 56.342 54.840 0.016 0.000 0.747 274 L CB -0.358 41.603 42.059 -0.165 0.000 0.896 274 L HN 0.152 nan 8.230 nan 0.000 0.432 275 I N -0.789 119.890 120.570 0.182 0.000 2.315 275 I HA -0.261 3.909 4.170 -0.001 0.000 0.248 275 I C 1.911 178.196 176.117 0.280 0.000 1.117 275 I CA 0.938 62.396 61.300 0.264 0.000 1.404 275 I CB -0.396 37.805 38.000 0.334 0.000 1.071 275 I HN 0.242 nan 8.210 nan 0.000 0.419 276 D N 0.373 120.910 120.400 0.227 0.000 2.182 276 D HA -0.133 4.507 4.640 -0.001 0.000 0.201 276 D C 1.971 178.398 176.300 0.212 0.000 0.986 276 D CA 1.561 55.694 54.000 0.221 0.000 0.847 276 D CB -0.001 40.893 40.800 0.156 0.000 0.942 276 D HN 0.384 nan 8.370 nan 0.000 0.467 277 V N -2.150 117.865 119.914 0.168 0.000 3.578 277 V HA 0.185 4.305 4.120 -0.001 0.000 0.290 277 V C 1.787 177.963 176.094 0.138 0.000 1.376 277 V CA 0.177 62.564 62.300 0.145 0.000 1.083 277 V CB 0.273 32.157 31.823 0.102 0.000 0.911 277 V HN -0.033 nan 8.190 nan 0.000 0.433 278 E N 0.775 121.050 120.200 0.125 0.000 2.097 278 E HA -0.275 4.075 4.350 -0.001 0.000 0.196 278 E C 1.584 178.093 176.600 -0.151 0.000 1.000 278 E CA 2.508 58.931 56.400 0.038 0.000 0.804 278 E CB -0.267 29.395 29.700 -0.064 0.000 0.740 278 E HN 0.803 nan 8.360 nan 0.000 0.454 279 W N 0.866 122.171 121.300 0.009 0.000 2.699 279 W HA 0.034 4.693 4.660 -0.001 0.000 0.249 279 W C 1.604 178.088 176.519 -0.059 0.000 1.280 279 W CA 0.086 57.386 57.345 -0.075 0.000 1.345 279 W CB 0.034 29.417 29.460 -0.128 0.000 1.128 279 W HN 0.102 nan 8.180 nan 0.000 0.642 280 N N 0.179 118.959 118.700 0.134 0.000 2.550 280 N HA -0.096 4.644 4.740 -0.001 0.000 0.186 280 N C 1.696 177.208 175.510 0.004 0.000 1.110 280 N CA 1.386 54.481 53.050 0.075 0.000 0.912 280 N CB -0.486 38.045 38.487 0.074 0.000 0.968 280 N HN 0.267 nan 8.380 nan 0.000 0.448 281 V N -2.377 117.503 119.914 -0.058 0.000 3.650 281 V HA 0.256 4.375 4.120 -0.001 0.000 0.271 281 V C 0.767 176.752 176.094 -0.182 0.000 1.281 281 V CA -0.109 62.114 62.300 -0.128 0.000 1.120 281 V CB -0.518 31.195 31.823 -0.182 0.000 0.856 281 V HN -0.020 nan 8.190 nan 0.000 0.443 282 L N 2.389 123.525 121.223 -0.145 0.000 2.490 282 L HA 0.209 4.549 4.340 -0.001 0.000 0.274 282 L C -0.467 176.282 176.870 -0.202 0.000 1.201 282 L CA -0.885 53.862 54.840 -0.154 0.000 0.869 282 L CB 0.744 42.779 42.059 -0.040 0.000 1.123 282 L HN 0.166 nan 8.230 nan 0.000 0.484 283 P HA -0.028 nan 4.420 nan 0.000 0.222 283 P C -0.254 176.654 177.300 -0.655 0.000 1.153 283 P CA 1.112 63.833 63.100 -0.633 0.000 0.798 283 P CB 0.276 31.358 31.700 -1.030 0.000 0.796 284 F N -0.650 119.296 119.950 -0.007 0.000 2.611 284 F HA 0.392 4.919 4.527 -0.001 0.000 0.324 284 F C 0.423 176.226 175.800 0.005 0.000 1.061 284 F CA -1.862 56.139 58.000 0.002 0.000 0.954 284 F CB 0.075 39.081 39.000 0.009 0.000 1.301 284 F HN -0.378 nan 8.300 nan 0.000 0.482 285 D N 1.308 121.845 120.400 0.228 0.000 2.338 285 D HA 0.376 5.016 4.640 -0.001 0.000 0.255 285 D C -0.701 175.668 176.300 0.115 0.000 1.237 285 D CA 0.438 54.513 54.000 0.124 0.000 0.883 285 D CB 0.290 41.141 40.800 0.085 0.000 1.087 285 D HN 0.603 nan 8.370 nan 0.000 0.485 286 S N 2.781 118.536 115.700 0.093 0.000 2.579 286 S HA 0.721 5.190 4.470 -0.001 0.000 0.272 286 S C -0.272 174.353 174.600 0.042 0.000 1.141 286 S CA -1.026 57.220 58.200 0.077 0.000 0.843 286 S CB 0.931 64.206 63.200 0.124 0.000 1.122 286 S HN 0.437 nan 8.310 nan 0.000 0.468 287 I N -2.145 118.447 120.570 0.035 0.000 2.797 287 I HA 0.793 4.962 4.170 -0.001 0.000 0.307 287 I C -0.210 175.919 176.117 0.020 0.000 1.033 287 I CA -1.125 60.197 61.300 0.036 0.000 1.071 287 I CB 1.011 39.053 38.000 0.071 0.000 1.255 287 I HN 0.773 nan 8.210 nan 0.000 0.445 288 F N 1.675 121.469 119.950 -0.259 0.000 3.080 288 F HA -0.175 4.351 4.527 -0.001 0.000 0.292 288 F C -0.325 174.951 175.800 -0.873 0.000 0.891 288 F CA 0.575 58.163 58.000 -0.685 0.000 1.086 288 F CB -0.670 37.888 39.000 -0.736 0.000 1.095 288 F HN 0.594 nan 8.300 nan 0.000 0.633 289 R N 0.422 120.536 120.500 -0.645 0.000 2.628 289 R HA 0.628 4.967 4.340 -0.001 0.000 0.288 289 R C -0.916 175.031 176.300 -0.589 0.000 0.980 289 R CA -0.557 55.214 56.100 -0.548 0.000 0.891 289 R CB 1.267 31.497 30.300 -0.117 0.000 1.188 289 R HN -0.020 nan 8.270 nan 0.000 0.450 290 F N -0.703 119.344 119.950 0.161 0.000 2.546 290 F HA 0.396 4.923 4.527 -0.001 0.000 0.320 290 F C 1.540 177.239 175.800 -0.168 0.000 1.076 290 F CA -0.899 57.106 58.000 0.008 0.000 0.928 290 F CB 1.708 40.840 39.000 0.218 0.000 1.189 290 F HN 0.344 nan 8.300 nan 0.000 0.465 291 S N 0.578 116.113 115.700 -0.276 0.000 2.345 291 S HA 0.049 4.519 4.470 -0.001 0.000 0.219 291 S C 0.043 174.222 174.600 -0.702 0.000 1.031 291 S CA 1.006 58.849 58.200 -0.594 0.000 0.984 291 S CB -0.185 62.487 63.200 -0.881 0.000 0.874 291 S HN 0.347 nan 8.310 nan 0.000 0.451 292 F N 1.955 121.909 119.950 0.006 0.000 2.347 292 F HA 0.543 5.069 4.527 -0.001 0.000 0.366 292 F C 0.042 175.873 175.800 0.053 0.000 1.107 292 F CA -0.954 57.090 58.000 0.073 0.000 1.058 292 F CB 1.042 40.120 39.000 0.130 0.000 1.236 292 F HN -0.094 nan 8.300 nan 0.000 0.456 293 V N 0.811 120.719 119.914 -0.009 0.000 3.158 293 V HA 0.761 4.880 4.120 -0.001 0.000 0.311 293 V C -2.868 172.883 176.094 -0.572 0.000 1.181 293 V CA -3.363 58.638 62.300 -0.498 0.000 1.054 293 V CB 1.952 33.626 31.823 -0.248 0.000 1.085 293 V HN 0.240 nan 8.190 nan 0.000 0.446 294 P HA 0.171 nan 4.420 nan 0.000 0.266 294 P C -0.864 176.315 177.300 -0.203 0.000 1.193 294 P CA 0.376 63.220 63.100 -0.427 0.000 0.770 294 P CB 0.602 31.979 31.700 -0.538 0.000 0.836 295 V N 4.983 124.888 119.914 -0.015 0.000 2.487 295 V HA 0.281 4.401 4.120 -0.001 0.000 0.298 295 V C -0.357 175.766 176.094 0.047 0.000 1.028 295 V CA -0.996 61.290 62.300 -0.024 0.000 0.860 295 V CB 1.138 32.971 31.823 0.018 0.000 0.991 295 V HN 0.243 nan 8.190 nan 0.000 0.427 296 I N 7.441 127.962 120.570 -0.082 0.000 2.577 296 I HA 0.156 4.326 4.170 -0.001 0.000 0.299 296 I C 1.013 177.132 176.117 0.003 0.000 1.157 296 I CA 0.444 61.722 61.300 -0.037 0.000 1.418 296 I CB -0.275 37.629 38.000 -0.161 0.000 1.467 296 I HN 0.818 nan 8.210 nan 0.000 0.624 297 D N 3.262 123.738 120.400 0.126 0.000 2.423 297 D HA 0.079 4.718 4.640 -0.001 0.000 0.208 297 D C 1.390 177.685 176.300 -0.009 0.000 1.068 297 D CA 0.741 54.712 54.000 -0.047 0.000 0.860 297 D CB 0.482 41.341 40.800 0.099 0.000 0.992 297 D HN 0.613 nan 8.370 nan 0.000 0.504 298 G N 0.524 109.384 108.800 0.100 0.000 2.179 298 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.260 298 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.260 298 G C 0.755 175.725 174.900 0.116 0.000 0.977 298 G CA 0.728 45.889 45.100 0.102 0.000 0.641 298 G HN 0.465 nan 8.290 nan 0.000 0.533 299 E N -1.480 118.802 120.200 0.137 0.000 2.592 299 E HA 0.436 4.785 4.350 -0.001 0.000 0.184 299 E C 1.733 178.356 176.600 0.039 0.000 1.056 299 E CA -0.130 56.329 56.400 0.098 0.000 1.151 299 E CB -0.122 29.657 29.700 0.132 0.000 1.435 299 E HN 0.169 nan 8.360 nan 0.000 0.496 300 F N 0.938 120.816 119.950 -0.119 0.000 2.069 300 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 300 F C 0.143 175.627 175.800 -0.527 0.000 1.113 300 F CA 1.230 59.015 58.000 -0.359 0.000 1.214 300 F CB 0.212 38.909 39.000 -0.505 0.000 0.978 300 F HN -0.119 nan 8.300 nan 0.000 0.474 301 F N 0.616 120.719 119.950 0.254 0.000 2.388 301 F HA 0.350 4.876 4.527 -0.001 0.000 0.358 301 F C -1.703 174.135 175.800 0.064 0.000 1.122 301 F CA -2.662 55.418 58.000 0.133 0.000 1.056 301 F CB 0.562 39.635 39.000 0.121 0.000 1.155 301 F HN -0.223 nan 8.300 nan 0.000 0.461 302 P HA -0.025 nan 4.420 nan 0.000 0.217 302 P C 0.418 177.773 177.300 0.092 0.000 1.154 302 P CA 1.215 64.370 63.100 0.091 0.000 0.841 302 P CB 0.209 31.936 31.700 0.045 0.000 0.788 303 T N -4.988 109.627 114.554 0.103 0.000 2.742 303 T HA 0.501 4.851 4.350 -0.001 0.000 0.282 303 T C -0.086 174.655 174.700 0.068 0.000 1.025 303 T CA -0.684 61.457 62.100 0.068 0.000 1.020 303 T CB 0.830 69.724 68.868 0.044 0.000 1.317 303 T HN 0.004 nan 8.240 nan 0.000 0.538 304 S N 0.144 115.858 115.700 0.024 0.000 2.559 304 S HA 0.075 4.544 4.470 -0.001 0.000 0.282 304 S C 1.513 176.114 174.600 0.002 0.000 1.336 304 S CA -0.555 57.637 58.200 -0.014 0.000 1.037 304 S CB -0.443 62.743 63.200 -0.023 0.000 0.853 304 S HN 0.666 nan 8.310 nan 0.000 0.523 305 L N 0.442 121.630 121.223 -0.058 0.000 2.083 305 L HA -0.104 4.236 4.340 -0.001 0.000 0.209 305 L C 2.916 179.816 176.870 0.051 0.000 1.083 305 L CA 1.919 56.744 54.840 -0.025 0.000 0.752 305 L CB -0.772 41.209 42.059 -0.130 0.000 0.899 305 L HN 0.805 nan 8.230 nan 0.000 0.433 306 E N 0.712 120.935 120.200 0.038 0.000 2.047 306 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 306 E C 2.277 178.934 176.600 0.094 0.000 0.987 306 E CA 1.659 58.114 56.400 0.093 0.000 0.799 306 E CB -0.083 29.659 29.700 0.069 0.000 0.752 306 E HN 0.464 nan 8.360 nan 0.000 0.449 307 S N -0.306 115.431 115.700 0.062 0.000 2.399 307 S HA -0.182 4.287 4.470 -0.001 0.000 0.231 307 S C 2.116 176.755 174.600 0.066 0.000 1.022 307 S CA 1.339 59.573 58.200 0.057 0.000 0.983 307 S CB -0.378 62.843 63.200 0.035 0.000 0.803 307 S HN 0.248 nan 8.310 nan 0.000 0.480 308 M N 0.854 120.509 119.600 0.091 0.000 2.132 308 M HA 0.074 4.554 4.480 -0.001 0.000 0.263 308 M C 2.177 178.603 176.300 0.211 0.000 1.065 308 M CA 1.353 56.729 55.300 0.127 0.000 1.122 308 M CB -0.558 32.149 32.600 0.178 0.000 1.365 308 M HN 0.299 nan 8.290 nan 0.000 0.411 309 L N -0.087 121.271 121.223 0.225 0.000 2.141 309 L HA -0.192 4.148 4.340 -0.001 0.000 0.209 309 L C 1.961 178.988 176.870 0.261 0.000 1.094 309 L CA 0.745 55.752 54.840 0.279 0.000 0.763 309 L CB -0.642 41.490 42.059 0.122 0.000 0.908 309 L HN 0.331 nan 8.230 nan 0.000 0.437 310 N N -0.480 118.317 118.700 0.161 0.000 2.216 310 N HA -0.124 4.616 4.740 -0.001 0.000 0.183 310 N C 2.000 177.582 175.510 0.120 0.000 1.017 310 N CA 1.560 54.702 53.050 0.153 0.000 0.861 310 N CB -0.152 38.402 38.487 0.112 0.000 0.986 310 N HN 0.287 nan 8.380 nan 0.000 0.428 311 S N -1.199 114.490 115.700 -0.018 0.000 2.558 311 S HA 0.229 4.699 4.470 -0.001 0.000 0.217 311 S C 1.360 175.607 174.600 -0.589 0.000 0.975 311 S CA 0.452 58.565 58.200 -0.144 0.000 0.912 311 S CB 0.058 63.193 63.200 -0.107 0.000 0.776 311 S HN 0.391 nan 8.310 nan 0.000 0.526 312 G N 1.891 110.099 108.800 -0.987 0.000 2.160 312 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 312 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 312 G C -0.063 173.973 174.900 -1.440 0.000 1.022 312 G CA 0.055 43.876 45.100 -2.132 0.000 0.741 312 G HN 0.603 nan 8.290 nan 0.000 0.508 313 N N 0.599 118.895 118.700 -0.674 0.000 3.124 313 N HA 0.530 5.269 4.740 -0.001 0.000 0.284 313 N C -0.135 175.319 175.510 -0.093 0.000 1.209 313 N CA -0.245 52.602 53.050 -0.338 0.000 1.149 313 N CB -0.812 37.600 38.487 -0.125 0.000 1.434 313 N HN 0.710 nan 8.380 nan 0.000 0.529 314 F N -1.225 118.657 119.950 -0.114 0.000 2.807 314 F HA 0.416 4.943 4.527 -0.000 0.000 0.316 314 F C -0.338 175.471 175.800 0.015 0.000 1.162 314 F CA -1.441 56.564 58.000 0.009 0.000 0.910 314 F CB 0.640 39.709 39.000 0.116 0.000 1.314 314 F HN -0.165 nan 8.300 nan 0.000 0.454 315 K N 1.751 122.393 120.400 0.403 0.000 2.451 315 K HA 0.195 4.514 4.320 -0.001 0.000 0.280 315 K C -1.022 175.823 176.600 0.408 0.000 1.020 315 K CA -0.109 56.334 56.287 0.261 0.000 1.008 315 K CB 0.494 33.101 32.500 0.179 0.000 0.917 315 K HN 0.729 nan 8.250 nan 0.000 0.478 316 K N 2.924 123.437 120.400 0.189 0.000 2.281 316 K HA 0.177 4.497 4.320 -0.001 0.000 0.272 316 K C -0.344 176.379 176.600 0.205 0.000 1.048 316 K CA -0.308 56.093 56.287 0.190 0.000 0.898 316 K CB 1.820 34.335 32.500 0.025 0.000 1.128 316 K HN 0.648 nan 8.250 nan 0.000 0.460 317 T N 1.347 116.109 114.554 0.347 0.000 2.630 317 T HA 0.223 4.573 4.350 -0.001 0.000 0.300 317 T C -1.529 173.370 174.700 0.332 0.000 1.261 317 T CA -0.683 61.568 62.100 0.251 0.000 1.060 317 T CB 0.812 69.794 68.868 0.190 0.000 1.670 317 T HN 0.388 nan 8.240 nan 0.000 0.473 318 Q N 1.099 121.055 119.800 0.261 0.000 2.222 318 Q HA 0.746 5.086 4.340 -0.001 0.000 0.252 318 Q C -0.345 175.946 176.000 0.485 0.000 0.926 318 Q CA -0.468 55.544 55.803 0.348 0.000 0.899 318 Q CB 1.321 30.227 28.738 0.280 0.000 1.250 318 Q HN 0.678 nan 8.270 nan 0.000 0.441 319 I N -1.324 119.471 120.570 0.376 0.000 2.730 319 I HA 0.701 4.871 4.170 -0.001 0.000 0.298 319 I C -1.445 174.527 176.117 -0.242 0.000 1.089 319 I CA -1.374 59.995 61.300 0.114 0.000 1.041 319 I CB 1.809 39.701 38.000 -0.180 0.000 1.235 319 I HN 0.535 nan 8.210 nan 0.000 0.423 320 L N 6.947 127.765 121.223 -0.675 0.000 2.385 320 L HA 0.819 5.159 4.340 -0.001 0.000 0.273 320 L C -1.282 175.365 176.870 -0.373 0.000 0.990 320 L CA -0.583 53.777 54.840 -0.800 0.000 0.821 320 L CB 1.720 42.761 42.059 -1.696 0.000 1.279 320 L HN 0.864 nan 8.230 nan 0.000 0.412 321 L N 2.358 123.507 121.223 -0.125 0.000 2.775 321 L HA 1.083 5.423 4.340 -0.001 0.000 0.263 321 L C -0.791 175.911 176.870 -0.281 0.000 1.017 321 L CA -0.336 54.465 54.840 -0.064 0.000 0.891 321 L CB 1.732 43.735 42.059 -0.092 0.000 1.482 321 L HN 0.715 nan 8.230 nan 0.000 0.410 322 G N -0.024 108.399 108.800 -0.629 0.000 2.335 322 G HA2 0.565 4.525 3.960 -0.001 0.000 0.291 322 G HA3 0.565 4.525 3.960 -0.001 0.000 0.291 322 G C -1.516 173.018 174.900 -0.611 0.000 1.261 322 G CA 0.066 44.538 45.100 -1.045 0.000 0.871 322 G HN 1.692 nan 8.290 nan 0.000 0.491 323 V N -2.557 117.145 119.914 -0.354 0.000 3.181 323 V HA 0.883 5.002 4.120 -0.001 0.000 0.308 323 V C -1.182 175.028 176.094 0.193 0.000 1.214 323 V CA -1.363 60.974 62.300 0.062 0.000 1.053 323 V CB 1.848 33.741 31.823 0.116 0.000 1.069 323 V HN 0.751 nan 8.190 nan 0.000 0.441 324 N N 0.996 119.821 118.700 0.208 0.000 2.472 324 N HA 0.434 5.174 4.740 -0.001 0.000 0.289 324 N C 0.556 176.046 175.510 -0.033 0.000 1.156 324 N CA -0.538 52.610 53.050 0.163 0.000 0.940 324 N CB 1.765 40.442 38.487 0.316 0.000 1.200 324 N HN 0.923 nan 8.380 nan 0.000 0.511 325 K N 0.044 120.310 120.400 -0.224 0.000 2.063 325 K HA -0.080 4.240 4.320 -0.001 0.000 0.208 325 K C -0.642 176.044 176.600 0.144 0.000 1.048 325 K CA 1.280 57.490 56.287 -0.129 0.000 0.928 325 K CB 0.198 32.636 32.500 -0.103 0.000 0.713 325 K HN 0.512 nan 8.250 nan 0.000 0.442 326 D N 1.094 121.581 120.400 0.144 0.000 2.607 326 D HA 0.042 4.681 4.640 -0.001 0.000 0.318 326 D C 0.171 176.594 176.300 0.206 0.000 1.212 326 D CA -0.091 54.011 54.000 0.169 0.000 0.861 326 D CB 1.286 42.158 40.800 0.120 0.000 1.064 326 D HN 0.144 nan 8.370 nan 0.000 0.500 327 E N 0.462 120.809 120.200 0.245 0.000 2.160 327 E HA -0.118 4.231 4.350 -0.001 0.000 0.195 327 E C 1.930 178.723 176.600 0.322 0.000 0.991 327 E CA 0.696 57.283 56.400 0.313 0.000 0.810 327 E CB 0.134 30.000 29.700 0.276 0.000 0.742 327 E HN 0.413 nan 8.360 nan 0.000 0.466 328 G N 1.059 110.011 108.800 0.254 0.000 2.712 328 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.212 328 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.212 328 G C 1.686 176.750 174.900 0.274 0.000 1.142 328 G CA 0.727 45.997 45.100 0.283 0.000 0.789 328 G HN 0.340 nan 8.290 nan 0.000 0.535 329 S N 0.420 116.221 115.700 0.168 0.000 2.382 329 S HA -0.077 4.393 4.470 -0.001 0.000 0.228 329 S C 2.018 176.578 174.600 -0.066 0.000 1.027 329 S CA 0.651 58.882 58.200 0.051 0.000 0.991 329 S CB -0.499 62.623 63.200 -0.130 0.000 0.823 329 S HN 0.124 nan 8.310 nan 0.000 0.469 330 F N 1.840 121.634 119.950 -0.261 0.000 2.126 330 F HA 0.087 4.614 4.527 -0.001 0.000 0.299 330 F C 1.780 177.296 175.800 -0.474 0.000 1.096 330 F CA 0.652 58.325 58.000 -0.545 0.000 1.255 330 F CB -0.629 37.784 39.000 -0.979 0.000 0.997 330 F HN 0.180 nan 8.300 nan 0.000 0.479 331 F N -0.964 118.989 119.950 0.005 0.000 2.367 331 F HA -0.041 4.485 4.527 -0.001 0.000 0.298 331 F C 2.093 177.863 175.800 -0.049 0.000 1.094 331 F CA 0.613 58.559 58.000 -0.090 0.000 1.409 331 F CB -0.905 37.956 39.000 -0.232 0.000 1.064 331 F HN -0.140 nan 8.300 nan 0.000 0.528 332 L N -0.727 120.500 121.223 0.008 0.000 2.095 332 L HA -0.138 4.202 4.340 -0.001 0.000 0.204 332 L C 2.429 179.184 176.870 -0.192 0.000 1.080 332 L CA 0.454 55.070 54.840 -0.374 0.000 0.759 332 L CB -0.667 40.763 42.059 -1.050 0.000 0.914 332 L HN 0.134 nan 8.230 nan 0.000 0.439 333 L N -0.740 120.574 121.223 0.152 0.000 2.013 333 L HA -0.282 4.058 4.340 -0.001 0.000 0.212 333 L C 2.352 179.421 176.870 0.331 0.000 1.073 333 L CA 2.116 57.210 54.840 0.423 0.000 0.753 333 L CB -0.712 41.600 42.059 0.421 0.000 0.890 333 L HN 0.131 nan 8.230 nan 0.000 0.432 334 Y N -0.811 119.567 120.300 0.130 0.000 2.395 334 Y HA 0.174 4.724 4.550 -0.001 0.000 0.293 334 Y C 2.296 178.210 175.900 0.024 0.000 1.123 334 Y CA 1.083 59.233 58.100 0.083 0.000 1.227 334 Y CB -0.243 38.228 38.460 0.018 0.000 1.012 334 Y HN 0.300 nan 8.280 nan 0.000 0.552 335 G N -1.789 107.107 108.800 0.160 0.000 3.443 335 G HA2 0.437 4.396 3.960 -0.001 0.000 0.252 335 G HA3 0.437 4.396 3.960 -0.001 0.000 0.252 335 G C -0.061 174.893 174.900 0.091 0.000 1.015 335 G CA 0.364 45.516 45.100 0.087 0.000 0.891 335 G HN 0.273 nan 8.290 nan 0.000 0.510 336 A N 1.488 124.382 122.820 0.123 0.000 2.306 336 A HA 0.792 5.112 4.320 -0.001 0.000 0.314 336 A C -2.516 175.254 177.584 0.309 0.000 1.164 336 A CA -1.483 50.669 52.037 0.191 0.000 0.822 336 A CB 1.057 20.143 19.000 0.143 0.000 1.130 336 A HN 0.063 nan 8.150 nan 0.000 0.496 337 P HA 0.343 nan 4.420 nan 0.000 0.276 337 P C 0.810 178.150 177.300 0.066 0.000 1.230 337 P CA 1.253 64.426 63.100 0.121 0.000 0.776 337 P CB 1.134 32.870 31.700 0.060 0.000 0.888 338 G N 1.320 110.103 108.800 -0.027 0.000 2.194 338 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.236 338 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.236 338 G C -0.308 174.353 174.900 -0.399 0.000 0.987 338 G CA -0.508 44.451 45.100 -0.235 0.000 0.635 338 G HN 0.416 nan 8.290 nan 0.000 0.520 339 F N 2.026 121.910 119.950 -0.111 0.000 2.420 339 F HA 0.723 5.249 4.527 -0.001 0.000 0.342 339 F C 0.610 176.407 175.800 -0.004 0.000 1.113 339 F CA -0.415 57.486 58.000 -0.166 0.000 1.059 339 F CB 2.273 41.221 39.000 -0.086 0.000 1.128 339 F HN 0.056 nan 8.300 nan 0.000 0.475 340 S N 1.790 117.602 115.700 0.186 0.000 2.564 340 S HA 0.297 4.767 4.470 -0.001 0.000 0.274 340 S C 0.563 175.388 174.600 0.375 0.000 1.124 340 S CA -1.167 57.174 58.200 0.235 0.000 0.869 340 S CB 2.305 65.568 63.200 0.106 0.000 1.105 340 S HN 0.707 nan 8.310 nan 0.000 0.472 341 K N 0.523 121.094 120.400 0.285 0.000 2.097 341 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 341 K C -0.114 176.550 176.600 0.106 0.000 1.050 341 K CA 1.390 57.760 56.287 0.138 0.000 0.938 341 K CB 0.023 32.303 32.500 -0.367 0.000 0.718 341 K HN 0.483 nan 8.250 nan 0.000 0.442 342 D N 0.318 120.756 120.400 0.064 0.000 2.388 342 D HA 0.019 4.658 4.640 -0.001 0.000 0.221 342 D C -0.014 176.327 176.300 0.069 0.000 1.133 342 D CA 0.114 54.131 54.000 0.029 0.000 0.831 342 D CB 0.802 41.588 40.800 -0.023 0.000 0.962 342 D HN 0.141 nan 8.370 nan 0.000 0.502 343 S N -0.845 114.924 115.700 0.115 0.000 2.677 343 S HA 0.302 4.772 4.470 -0.001 0.000 0.304 343 S C 0.766 175.421 174.600 0.091 0.000 1.108 343 S CA -0.657 57.577 58.200 0.057 0.000 0.944 343 S CB 2.339 65.528 63.200 -0.020 0.000 1.127 343 S HN -0.136 nan 8.310 nan 0.000 0.511 344 E N 0.872 121.081 120.200 0.015 0.000 2.515 344 E HA 0.040 4.390 4.350 -0.001 0.000 0.201 344 E C -0.280 176.108 176.600 -0.354 0.000 1.071 344 E CA 0.435 56.830 56.400 -0.009 0.000 0.880 344 E CB -0.273 29.424 29.700 -0.005 0.000 0.828 344 E HN 0.717 nan 8.360 nan 0.000 0.540 345 S N 1.261 116.675 115.700 -0.477 0.000 3.550 345 S HA -0.195 4.275 4.470 -0.001 0.000 0.372 345 S C -0.253 173.981 174.600 -0.609 0.000 0.966 345 S CA 0.708 58.474 58.200 -0.723 0.000 1.229 345 S CB -1.142 61.255 63.200 -1.338 0.000 0.917 345 S HN 0.285 nan 8.310 nan 0.000 0.496 346 K N 0.880 121.061 120.400 -0.366 0.000 2.368 346 K HA 0.308 4.627 4.320 -0.001 0.000 0.282 346 K C 0.216 176.626 176.600 -0.317 0.000 1.035 346 K CA -0.138 55.985 56.287 -0.273 0.000 0.973 346 K CB 0.447 32.848 32.500 -0.164 0.000 0.957 346 K HN 0.203 nan 8.250 nan 0.000 0.474 347 I N 2.836 123.233 120.570 -0.288 0.000 2.354 347 I HA 0.056 4.225 4.170 -0.001 0.000 0.292 347 I C 0.814 176.848 176.117 -0.140 0.000 0.989 347 I CA -0.299 60.831 61.300 -0.284 0.000 1.188 347 I CB 1.265 39.082 38.000 -0.305 0.000 1.342 347 I HN 0.703 nan 8.210 nan 0.000 0.457 348 S N 6.190 121.821 115.700 -0.115 0.000 2.600 348 S HA 0.212 4.682 4.470 -0.001 0.000 0.265 348 S C 1.260 175.850 174.600 -0.016 0.000 1.325 348 S CA -0.298 57.862 58.200 -0.067 0.000 1.002 348 S CB 1.401 64.569 63.200 -0.054 0.000 0.921 348 S HN 0.603 nan 8.310 nan 0.000 0.554 349 R N 0.974 121.460 120.500 -0.023 0.000 2.103 349 R HA -0.107 4.233 4.340 -0.001 0.000 0.242 349 R C 1.905 178.258 176.300 0.089 0.000 1.142 349 R CA 2.210 58.313 56.100 0.006 0.000 0.960 349 R CB -0.978 29.316 30.300 -0.009 0.000 0.858 349 R HN 0.859 nan 8.270 nan 0.000 0.439 350 E N -0.130 120.103 120.200 0.055 0.000 2.072 350 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 350 E C 1.562 178.205 176.600 0.070 0.000 0.985 350 E CA 1.494 57.930 56.400 0.061 0.000 0.801 350 E CB -0.175 29.544 29.700 0.031 0.000 0.750 350 E HN 0.337 nan 8.360 nan 0.000 0.452 351 D N -0.526 119.905 120.400 0.052 0.000 2.183 351 D HA -0.091 4.548 4.640 -0.001 0.000 0.203 351 D C 1.493 177.850 176.300 0.095 0.000 0.969 351 D CA 0.393 54.416 54.000 0.040 0.000 0.842 351 D CB -0.210 40.565 40.800 -0.041 0.000 0.957 351 D HN 0.097 nan 8.370 nan 0.000 0.484 352 F N 0.826 120.765 119.950 -0.019 0.000 2.069 352 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 352 F C 2.353 178.171 175.800 0.029 0.000 1.113 352 F CA 1.320 59.326 58.000 0.010 0.000 1.214 352 F CB -0.229 38.755 39.000 -0.027 0.000 0.978 352 F HN -0.162 nan 8.300 nan 0.000 0.474 353 M N -0.260 119.460 119.600 0.199 0.000 2.073 353 M HA -0.305 4.175 4.480 -0.001 0.000 0.258 353 M C 2.370 178.670 176.300 0.001 0.000 1.070 353 M CA 2.398 57.761 55.300 0.104 0.000 1.103 353 M CB -0.526 32.150 32.600 0.128 0.000 1.321 353 M HN 0.095 nan 8.290 nan 0.000 0.405 354 S N -0.097 115.614 115.700 0.018 0.000 2.383 354 S HA -0.130 4.340 4.470 -0.001 0.000 0.229 354 S C 1.867 176.453 174.600 -0.023 0.000 1.030 354 S CA 1.327 59.530 58.200 0.005 0.000 1.002 354 S CB -0.928 62.289 63.200 0.028 0.000 0.829 354 S HN 0.745 nan 8.310 nan 0.000 0.467 355 G N 1.246 110.016 108.800 -0.051 0.000 2.421 355 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 355 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 355 G C 1.461 176.267 174.900 -0.156 0.000 1.171 355 G CA 0.929 45.986 45.100 -0.071 0.000 0.775 355 G HN 0.422 nan 8.290 nan 0.000 0.543 356 V N 0.787 120.544 119.914 -0.261 0.000 2.332 356 V HA -0.179 3.941 4.120 -0.001 0.000 0.248 356 V C 2.858 178.873 176.094 -0.130 0.000 1.055 356 V CA 2.025 64.190 62.300 -0.224 0.000 1.038 356 V CB -0.347 31.342 31.823 -0.224 0.000 0.651 356 V HN 0.223 nan 8.190 nan 0.000 0.450 357 K N -0.146 120.195 120.400 -0.098 0.000 2.026 357 K HA -0.114 4.206 4.320 -0.001 0.000 0.208 357 K C 2.080 178.633 176.600 -0.079 0.000 1.048 357 K CA 1.534 57.770 56.287 -0.084 0.000 0.929 357 K CB -0.487 31.982 32.500 -0.051 0.000 0.713 357 K HN 0.423 nan 8.250 nan 0.000 0.439 358 L N 0.468 121.660 121.223 -0.051 0.000 2.131 358 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 358 L C 2.270 179.120 176.870 -0.033 0.000 1.092 358 L CA 0.989 55.814 54.840 -0.023 0.000 0.759 358 L CB -0.245 41.815 42.059 0.000 0.000 0.903 358 L HN 0.049 nan 8.230 nan 0.000 0.435 359 S N -1.094 114.565 115.700 -0.069 0.000 2.425 359 S HA 0.029 4.498 4.470 -0.001 0.000 0.225 359 S C 0.969 175.490 174.600 -0.132 0.000 1.024 359 S CA 0.360 58.514 58.200 -0.076 0.000 0.951 359 S CB 0.390 63.526 63.200 -0.106 0.000 0.796 359 S HN 0.141 nan 8.310 nan 0.000 0.498 360 V N 3.262 123.063 119.914 -0.187 0.000 2.446 360 V HA 0.220 4.340 4.120 -0.001 0.000 0.257 360 V C -1.869 174.003 176.094 -0.370 0.000 1.036 360 V CA -1.289 60.807 62.300 -0.340 0.000 1.196 360 V CB 0.691 32.326 31.823 -0.312 0.000 1.446 360 V HN 0.196 nan 8.190 nan 0.000 0.558 361 P HA -0.165 nan 4.420 nan 0.000 0.220 361 P C 1.134 178.022 177.300 -0.685 0.000 1.148 361 P CA 1.347 64.247 63.100 -0.334 0.000 0.803 361 P CB -0.028 31.611 31.700 -0.103 0.000 0.782 362 H N -0.793 117.977 119.070 -0.500 0.000 2.572 362 H HA 0.462 5.018 4.556 -0.001 0.000 0.278 362 H C 0.073 175.235 175.328 -0.277 0.000 1.050 362 H CA -0.263 55.512 56.048 -0.455 0.000 1.168 362 H CB -0.567 29.097 29.762 -0.165 0.000 1.316 362 H HN -0.034 nan 8.280 nan 0.000 0.610 363 A N 2.172 124.696 122.820 -0.493 0.000 2.292 363 A HA 0.299 4.619 4.320 -0.001 0.000 0.319 363 A C 0.257 177.717 177.584 -0.207 0.000 1.206 363 A CA -0.793 51.040 52.037 -0.341 0.000 0.835 363 A CB 0.778 19.576 19.000 -0.337 0.000 1.164 363 A HN 0.627 nan 8.150 nan 0.000 0.505 364 N N 1.625 120.243 118.700 -0.138 0.000 2.317 364 N HA 0.044 4.784 4.740 -0.001 0.000 0.245 364 N C -0.020 175.447 175.510 -0.072 0.000 1.294 364 N CA -0.108 52.888 53.050 -0.090 0.000 0.924 364 N CB 0.234 38.683 38.487 -0.063 0.000 1.186 364 N HN 0.473 nan 8.380 nan 0.000 0.495 365 D N -0.701 119.673 120.400 -0.043 0.000 2.123 365 D HA -0.130 4.509 4.640 -0.001 0.000 0.196 365 D C 1.726 178.024 176.300 -0.004 0.000 0.992 365 D CA 0.825 54.813 54.000 -0.020 0.000 0.833 365 D CB -0.303 40.493 40.800 -0.007 0.000 0.954 365 D HN 0.481 nan 8.370 nan 0.000 0.455 366 L N 0.793 122.011 121.223 -0.008 0.000 2.012 366 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 366 L C 2.199 179.077 176.870 0.013 0.000 1.073 366 L CA 2.229 57.074 54.840 0.008 0.000 0.748 366 L CB -0.989 41.066 42.059 -0.006 0.000 0.891 366 L HN 0.088 nan 8.230 nan 0.000 0.431 367 G N -0.390 108.391 108.800 -0.031 0.000 2.476 367 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.218 367 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.218 367 G C 1.603 176.505 174.900 0.003 0.000 1.164 367 G CA 1.278 46.349 45.100 -0.047 0.000 0.768 367 G HN 0.455 nan 8.290 nan 0.000 0.560 368 L N 0.438 121.653 121.223 -0.014 0.000 2.083 368 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 368 L C 2.539 179.454 176.870 0.075 0.000 1.083 368 L CA 1.212 56.058 54.840 0.010 0.000 0.752 368 L CB -0.386 41.664 42.059 -0.014 0.000 0.899 368 L HN 0.096 nan 8.230 nan 0.000 0.433 369 D N 0.226 120.677 120.400 0.085 0.000 2.144 369 D HA -0.152 4.487 4.640 -0.001 0.000 0.199 369 D C 2.259 178.654 176.300 0.160 0.000 0.984 369 D CA 1.466 55.541 54.000 0.125 0.000 0.834 369 D CB -0.090 40.769 40.800 0.099 0.000 0.955 369 D HN 0.318 nan 8.370 nan 0.000 0.465 370 A N 0.685 123.614 122.820 0.182 0.000 1.883 370 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 370 A C 2.546 180.255 177.584 0.207 0.000 1.186 370 A CA 1.407 53.617 52.037 0.290 0.000 0.624 370 A CB -0.807 18.464 19.000 0.453 0.000 0.822 370 A HN 0.150 nan 8.150 nan 0.000 0.444 371 V N -0.288 119.749 119.914 0.205 0.000 2.295 371 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 371 V C 2.755 178.930 176.094 0.136 0.000 1.049 371 V CA 2.488 64.826 62.300 0.062 0.000 1.024 371 V CB -1.345 30.543 31.823 0.108 0.000 0.648 371 V HN 0.617 nan 8.190 nan 0.000 0.447 372 T N 0.646 115.315 114.554 0.191 0.000 2.652 372 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 372 T C 1.919 176.778 174.700 0.265 0.000 1.039 372 T CA 1.979 64.267 62.100 0.314 0.000 1.153 372 T CB -0.427 68.632 68.868 0.318 0.000 0.863 372 T HN 0.301 nan 8.240 nan 0.000 0.428 373 L N 1.275 122.640 121.223 0.236 0.000 2.042 373 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 373 L C 2.454 179.360 176.870 0.061 0.000 1.076 373 L CA 1.857 56.845 54.840 0.247 0.000 0.749 373 L CB -0.858 41.319 42.059 0.196 0.000 0.893 373 L HN 0.150 nan 8.230 nan 0.000 0.432 374 Q N -1.596 118.143 119.800 -0.102 0.000 2.224 374 Q HA -0.172 4.167 4.340 -0.001 0.000 0.203 374 Q C 0.955 176.716 176.000 -0.399 0.000 0.970 374 Q CA 1.722 57.299 55.803 -0.378 0.000 0.865 374 Q CB -0.142 28.048 28.738 -0.915 0.000 0.922 374 Q HN 0.694 nan 8.270 nan 0.000 0.445 375 Y N -1.339 118.904 120.300 -0.095 0.000 2.612 375 Y HA 0.343 4.893 4.550 -0.001 0.000 0.250 375 Y C -0.319 175.530 175.900 -0.085 0.000 1.175 375 Y CA -0.265 57.834 58.100 -0.002 0.000 1.205 375 Y CB 1.111 39.669 38.460 0.163 0.000 1.201 375 Y HN -0.191 nan 8.280 nan 0.000 0.532 376 T N 0.688 115.160 114.554 -0.136 0.000 2.770 376 T HA 0.079 4.428 4.350 -0.001 0.000 0.283 376 T C -0.798 173.597 174.700 -0.508 0.000 0.988 376 T CA -0.675 61.114 62.100 -0.519 0.000 0.957 376 T CB 0.945 69.244 68.868 -0.950 0.000 0.930 376 T HN -0.012 nan 8.240 nan 0.000 0.443 377 D N 2.212 122.359 120.400 -0.421 0.000 2.383 377 D HA 0.067 4.707 4.640 -0.001 0.000 0.245 377 D C 0.157 176.270 176.300 -0.312 0.000 1.263 377 D CA -0.601 53.236 54.000 -0.270 0.000 0.936 377 D CB 0.256 40.953 40.800 -0.172 0.000 1.053 377 D HN 0.618 nan 8.370 nan 0.000 0.507 378 W N 2.980 124.240 121.300 -0.067 0.000 2.721 378 W HA -0.007 4.652 4.660 -0.001 0.000 0.245 378 W C 2.011 178.500 176.519 -0.049 0.000 1.276 378 W CA -0.083 57.226 57.345 -0.060 0.000 1.342 378 W CB -0.120 29.310 29.460 -0.050 0.000 1.135 378 W HN 0.409 nan 8.180 nan 0.000 0.654 379 M N -0.695 118.975 119.600 0.116 0.000 2.562 379 M HA -0.030 4.450 4.480 -0.001 0.000 0.257 379 M C 0.330 176.643 176.300 0.022 0.000 1.099 379 M CA 1.291 56.630 55.300 0.065 0.000 1.099 379 M CB 0.072 32.691 32.600 0.032 0.000 1.427 379 M HN -0.198 nan 8.290 nan 0.000 0.489 380 D N -0.147 120.236 120.400 -0.028 0.000 3.404 380 D HA -0.010 4.630 4.640 -0.001 0.000 0.329 380 D C 0.170 176.381 176.300 -0.148 0.000 1.421 380 D CA 0.074 54.034 54.000 -0.068 0.000 0.742 380 D CB 0.185 40.945 40.800 -0.066 0.000 1.290 380 D HN 0.231 nan 8.370 nan 0.000 0.600 381 D N -1.063 119.234 120.400 -0.172 0.000 2.371 381 D HA -0.074 4.565 4.640 -0.001 0.000 0.221 381 D C 0.497 176.638 176.300 -0.265 0.000 0.986 381 D CA 0.236 54.024 54.000 -0.354 0.000 0.899 381 D CB -0.107 40.433 40.800 -0.434 0.000 0.902 381 D HN 0.228 nan 8.370 nan 0.000 0.530 382 N N 0.112 118.723 118.700 -0.149 0.000 2.235 382 N HA -0.023 4.716 4.740 -0.001 0.000 0.209 382 N C -0.099 175.345 175.510 -0.111 0.000 1.122 382 N CA -0.321 52.659 53.050 -0.116 0.000 0.845 382 N CB 0.188 38.638 38.487 -0.062 0.000 1.004 382 N HN 0.010 nan 8.380 nan 0.000 0.499 383 N N 0.801 119.424 118.700 -0.127 0.000 2.406 383 N HA 0.020 4.760 4.740 -0.001 0.000 0.265 383 N C 1.172 176.617 175.510 -0.109 0.000 1.203 383 N CA 0.084 53.073 53.050 -0.101 0.000 0.945 383 N CB 0.979 39.409 38.487 -0.094 0.000 1.165 383 N HN 0.257 nan 8.380 nan 0.000 0.485 384 G N 4.227 112.971 108.800 -0.093 0.000 2.450 384 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.220 384 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.220 384 G C 1.435 176.281 174.900 -0.089 0.000 1.130 384 G CA 0.423 45.461 45.100 -0.104 0.000 0.760 384 G HN 0.633 nan 8.290 nan 0.000 0.557 385 I N 0.647 121.184 120.570 -0.055 0.000 2.286 385 I HA -0.009 4.160 4.170 -0.001 0.000 0.245 385 I C 2.512 178.636 176.117 0.013 0.000 1.104 385 I CA 0.963 62.256 61.300 -0.012 0.000 1.397 385 I CB -0.945 37.060 38.000 0.008 0.000 1.072 385 I HN 0.185 nan 8.210 nan 0.000 0.417 386 K N 0.737 121.123 120.400 -0.022 0.000 2.057 386 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 386 K C 1.890 178.480 176.600 -0.016 0.000 1.050 386 K CA 1.146 57.419 56.287 -0.024 0.000 0.935 386 K CB -0.084 32.366 32.500 -0.083 0.000 0.715 386 K HN 0.262 nan 8.250 nan 0.000 0.439 387 N N 0.846 119.500 118.700 -0.076 0.000 2.084 387 N HA -0.175 4.564 4.740 -0.001 0.000 0.190 387 N C 1.692 177.358 175.510 0.260 0.000 1.030 387 N CA 0.938 53.986 53.050 -0.003 0.000 0.849 387 N CB -0.231 38.207 38.487 -0.082 0.000 1.012 387 N HN 0.149 nan 8.380 nan 0.000 0.423 388 R N 1.252 121.822 120.500 0.117 0.000 2.070 388 R HA -0.116 4.224 4.340 -0.001 0.000 0.233 388 R C 0.738 177.226 176.300 0.313 0.000 1.137 388 R CA 1.594 57.796 56.100 0.170 0.000 0.945 388 R CB -0.330 29.960 30.300 -0.018 0.000 0.845 388 R HN 0.149 nan 8.270 nan 0.000 0.430 389 D N -0.632 119.912 120.400 0.240 0.000 2.144 389 D HA -0.078 4.561 4.640 -0.001 0.000 0.200 389 D C 1.741 178.206 176.300 0.276 0.000 0.978 389 D CA 1.409 55.562 54.000 0.254 0.000 0.833 389 D CB -0.572 40.345 40.800 0.195 0.000 0.961 389 D HN 0.506 nan 8.370 nan 0.000 0.470 390 G N 0.889 109.872 108.800 0.304 0.000 2.421 390 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 390 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 390 G C 1.752 176.836 174.900 0.307 0.000 1.171 390 G CA 0.215 45.556 45.100 0.403 0.000 0.775 390 G HN 0.245 nan 8.290 nan 0.000 0.543 391 L N 0.156 121.572 121.223 0.321 0.000 2.017 391 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 391 L C 2.664 179.584 176.870 0.084 0.000 1.073 391 L CA 1.485 56.383 54.840 0.096 0.000 0.745 391 L CB -0.345 41.838 42.059 0.207 0.000 0.894 391 L HN 0.203 nan 8.230 nan 0.000 0.432 392 D N 0.186 120.703 120.400 0.195 0.000 2.106 392 D HA -0.240 4.400 4.640 -0.001 0.000 0.191 392 D C 1.691 178.079 176.300 0.147 0.000 0.997 392 D CA 1.606 55.718 54.000 0.187 0.000 0.834 392 D CB -0.010 40.955 40.800 0.274 0.000 0.956 392 D HN 0.252 nan 8.370 nan 0.000 0.448 393 D N -0.100 120.406 120.400 0.177 0.000 2.117 393 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 393 D C 2.335 178.659 176.300 0.040 0.000 0.987 393 D CA 0.398 54.519 54.000 0.202 0.000 0.829 393 D CB -0.347 40.685 40.800 0.385 0.000 0.961 393 D HN 0.362 nan 8.370 nan 0.000 0.460 394 I N 0.359 120.793 120.570 -0.227 0.000 2.151 394 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 394 I C 2.409 178.409 176.117 -0.196 0.000 1.080 394 I CA 0.807 61.891 61.300 -0.361 0.000 1.339 394 I CB -0.137 37.619 38.000 -0.407 0.000 1.039 394 I HN -0.091 nan 8.210 nan 0.000 0.409 395 V N 0.606 120.452 119.914 -0.113 0.000 2.307 395 V HA -0.167 3.952 4.120 -0.001 0.000 0.245 395 V C 2.496 178.509 176.094 -0.136 0.000 1.045 395 V CA 2.124 64.368 62.300 -0.095 0.000 1.024 395 V CB -1.295 30.538 31.823 0.018 0.000 0.651 395 V HN 0.571 nan 8.190 nan 0.000 0.449 396 G N -0.360 108.423 108.800 -0.028 0.000 2.404 396 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.215 396 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.215 396 G C 1.207 176.062 174.900 -0.075 0.000 1.174 396 G CA 0.910 46.011 45.100 0.001 0.000 0.780 396 G HN 0.487 nan 8.290 nan 0.000 0.537 397 D N 0.042 120.411 120.400 -0.051 0.000 2.092 397 D HA -0.139 4.500 4.640 -0.001 0.000 0.193 397 D C 2.077 178.077 176.300 -0.500 0.000 0.994 397 D CA 1.531 55.471 54.000 -0.100 0.000 0.828 397 D CB -0.556 40.358 40.800 0.190 0.000 0.963 397 D HN 0.456 nan 8.370 nan 0.000 0.450 398 H N 0.557 119.022 119.070 -1.009 0.000 2.357 398 H HA 0.028 4.583 4.556 -0.001 0.000 0.301 398 H C 1.504 176.435 175.328 -0.663 0.000 1.082 398 H CA 1.724 56.999 56.048 -1.288 0.000 1.342 398 H CB 0.064 28.888 29.762 -1.564 0.000 1.389 398 H HN -0.007 nan 8.280 nan 0.000 0.511 399 N N -0.807 117.436 118.700 -0.761 0.000 2.409 399 N HA 0.008 4.747 4.740 -0.001 0.000 0.174 399 N C 1.138 176.390 175.510 -0.429 0.000 1.037 399 N CA 1.044 53.596 53.050 -0.829 0.000 0.898 399 N CB 1.094 38.637 38.487 -1.573 0.000 1.010 399 N HN 0.281 nan 8.380 nan 0.000 0.445 400 V N 0.239 119.984 119.914 -0.282 0.000 3.161 400 V HA 0.183 4.302 4.120 -0.001 0.000 0.221 400 V C 1.983 178.057 176.094 -0.033 0.000 1.296 400 V CA 0.010 62.279 62.300 -0.052 0.000 1.306 400 V CB 0.302 32.169 31.823 0.075 0.000 1.171 400 V HN -0.052 nan 8.190 nan 0.000 0.513 401 I N 0.304 120.864 120.570 -0.017 0.000 2.233 401 I HA -0.205 3.965 4.170 -0.001 0.000 0.243 401 I C 2.459 178.591 176.117 0.025 0.000 1.093 401 I CA 1.556 62.878 61.300 0.036 0.000 1.380 401 I CB -0.378 37.682 38.000 0.101 0.000 1.067 401 I HN 0.363 nan 8.210 nan 0.000 0.413 402 c N 0.879 119.484 118.600 0.008 0.000 2.457 402 c HA 0.003 4.573 4.570 -0.001 0.000 0.278 402 c C 0.156 174.279 174.090 0.054 0.000 1.309 402 c CA 0.528 56.903 56.329 0.077 0.000 1.735 402 c CB -1.754 40.855 42.510 0.164 0.000 1.992 402 c HN 0.358 nan 8.230 nan 0.000 0.493 403 P HA -0.088 nan 4.420 nan 0.000 0.217 403 P C 1.720 179.045 177.300 0.042 0.000 1.150 403 P CA 1.035 64.113 63.100 -0.037 0.000 0.832 403 P CB -0.214 31.369 31.700 -0.195 0.000 0.787 404 L N -1.713 119.514 121.223 0.007 0.000 2.083 404 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 404 L C 2.093 179.009 176.870 0.077 0.000 1.083 404 L CA 1.687 56.546 54.840 0.032 0.000 0.752 404 L CB -0.564 41.489 42.059 -0.012 0.000 0.899 404 L HN -0.125 nan 8.230 nan 0.000 0.433 405 M N -1.074 118.564 119.600 0.062 0.000 2.229 405 M HA -0.205 4.274 4.480 -0.001 0.000 0.264 405 M C 2.208 178.576 176.300 0.114 0.000 1.063 405 M CA 1.567 56.904 55.300 0.062 0.000 1.114 405 M CB -1.530 31.122 32.600 0.087 0.000 1.387 405 M HN 0.446 nan 8.290 nan 0.000 0.420 406 H N -0.119 118.990 119.070 0.065 0.000 2.326 406 H HA -0.151 4.404 4.556 -0.001 0.000 0.301 406 H C 1.847 177.218 175.328 0.072 0.000 1.081 406 H CA 1.911 58.002 56.048 0.072 0.000 1.334 406 H CB -0.351 29.449 29.762 0.065 0.000 1.385 406 H HN 0.217 nan 8.280 nan 0.000 0.504 407 F N 0.945 120.854 119.950 -0.069 0.000 2.069 407 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 407 F C 2.584 178.296 175.800 -0.146 0.000 1.113 407 F CA 2.107 60.021 58.000 -0.143 0.000 1.214 407 F CB -0.907 38.016 39.000 -0.128 0.000 0.978 407 F HN 0.172 nan 8.300 nan 0.000 0.474 408 V N -0.160 119.655 119.914 -0.165 0.000 2.332 408 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 408 V C 2.126 178.039 176.094 -0.301 0.000 1.055 408 V CA 2.457 64.534 62.300 -0.371 0.000 1.038 408 V CB -1.035 30.461 31.823 -0.545 0.000 0.651 408 V HN 0.464 nan 8.190 nan 0.000 0.450 409 N N 0.533 119.145 118.700 -0.147 0.000 2.142 409 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 409 N C 1.842 177.317 175.510 -0.059 0.000 1.023 409 N CA 1.633 54.694 53.050 0.017 0.000 0.852 409 N CB -0.264 38.279 38.487 0.093 0.000 0.998 409 N HN 0.505 nan 8.380 nan 0.000 0.424 410 K N 0.523 120.799 120.400 -0.207 0.000 2.057 410 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 410 K C 1.947 178.507 176.600 -0.067 0.000 1.050 410 K CA 0.642 56.842 56.287 -0.144 0.000 0.935 410 K CB -0.733 31.619 32.500 -0.246 0.000 0.715 410 K HN 0.300 nan 8.250 nan 0.000 0.439 411 Y N 2.300 122.331 120.300 -0.449 0.000 2.145 411 Y HA -0.224 4.326 4.550 -0.001 0.000 0.286 411 Y C 2.301 178.174 175.900 -0.045 0.000 1.145 411 Y CA 1.962 59.778 58.100 -0.473 0.000 1.148 411 Y CB -0.369 37.477 38.460 -1.024 0.000 0.981 411 Y HN 0.015 nan 8.280 nan 0.000 0.507 412 T N 0.477 115.064 114.554 0.056 0.000 2.849 412 T HA -0.232 4.117 4.350 -0.001 0.000 0.270 412 T C 1.823 176.543 174.700 0.033 0.000 1.066 412 T CA 1.642 63.816 62.100 0.123 0.000 1.130 412 T CB -0.284 68.745 68.868 0.268 0.000 0.864 412 T HN 0.310 nan 8.240 nan 0.000 0.481 413 K N -0.073 120.317 120.400 -0.016 0.000 2.152 413 K HA -0.089 4.231 4.320 -0.001 0.000 0.206 413 K C 1.238 177.626 176.600 -0.354 0.000 1.048 413 K CA 1.489 57.661 56.287 -0.191 0.000 0.933 413 K CB -0.124 32.218 32.500 -0.263 0.000 0.721 413 K HN 0.375 nan 8.250 nan 0.000 0.447 414 F N -0.450 119.437 119.950 -0.106 0.000 2.727 414 F HA 0.286 4.812 4.527 -0.001 0.000 0.302 414 F C 1.396 177.082 175.800 -0.189 0.000 1.107 414 F CA -0.174 57.725 58.000 -0.168 0.000 1.277 414 F CB 0.300 39.129 39.000 -0.284 0.000 1.079 414 F HN -0.004 nan 8.300 nan 0.000 0.594 415 G N -0.198 108.550 108.800 -0.086 0.000 2.588 415 G HA2 0.003 3.963 3.960 -0.001 0.000 0.278 415 G HA3 0.003 3.963 3.960 -0.001 0.000 0.278 415 G C 0.292 175.246 174.900 0.091 0.000 1.307 415 G CA -0.356 44.718 45.100 -0.044 0.000 1.016 415 G HN 0.259 nan 8.290 nan 0.000 0.503 416 N N -0.626 118.176 118.700 0.170 0.000 2.234 416 N HA 0.288 5.027 4.740 -0.001 0.000 0.227 416 N C 0.274 175.856 175.510 0.120 0.000 1.151 416 N CA 0.444 53.563 53.050 0.115 0.000 0.865 416 N CB 0.433 38.980 38.487 0.100 0.000 1.066 416 N HN 0.881 nan 8.380 nan 0.000 0.515 417 G N 0.439 109.326 108.800 0.144 0.000 2.220 417 G HA2 0.017 3.977 3.960 -0.001 0.000 0.232 417 G HA3 0.017 3.977 3.960 -0.001 0.000 0.232 417 G C -1.346 173.579 174.900 0.042 0.000 1.680 417 G CA -0.743 44.395 45.100 0.063 0.000 0.922 417 G HN 0.016 nan 8.290 nan 0.000 0.723 418 T N 1.717 116.166 114.554 -0.175 0.000 2.848 418 T HA 0.661 5.010 4.350 -0.001 0.000 0.285 418 T C -1.195 173.213 174.700 -0.487 0.000 0.995 418 T CA -0.313 61.685 62.100 -0.169 0.000 0.970 418 T CB 1.152 70.008 68.868 -0.020 0.000 0.976 418 T HN 0.424 nan 8.240 nan 0.000 0.441 419 Y N 2.244 122.445 120.300 -0.164 0.000 2.331 419 Y HA 0.664 5.213 4.550 -0.001 0.000 0.334 419 Y C -0.397 175.546 175.900 0.073 0.000 0.960 419 Y CA -1.173 56.774 58.100 -0.256 0.000 1.130 419 Y CB 1.404 39.211 38.460 -1.088 0.000 1.164 419 Y HN 0.426 nan 8.280 nan 0.000 0.458 420 L N 5.952 127.556 121.223 0.636 0.000 2.322 420 L HA 0.597 4.937 4.340 -0.001 0.000 0.281 420 L C -1.168 176.187 176.870 0.808 0.000 1.014 420 L CA -0.969 54.197 54.840 0.543 0.000 0.815 420 L CB 0.649 42.899 42.059 0.318 0.000 1.247 420 L HN 0.549 nan 8.230 nan 0.000 0.421 421 Y N 3.266 123.896 120.300 0.549 0.000 2.562 421 Y HA 0.744 5.294 4.550 -0.001 0.000 0.343 421 Y C -1.673 174.501 175.900 0.457 0.000 1.025 421 Y CA -1.906 56.441 58.100 0.412 0.000 1.082 421 Y CB 1.307 39.950 38.460 0.305 0.000 1.264 421 Y HN 0.521 nan 8.280 nan 0.000 0.478 422 F N 4.139 124.410 119.950 0.535 0.000 2.577 422 F HA 0.450 4.977 4.527 -0.001 0.000 0.344 422 F C -1.907 174.197 175.800 0.508 0.000 1.145 422 F CA -1.951 56.291 58.000 0.404 0.000 0.996 422 F CB 0.795 40.010 39.000 0.360 0.000 1.248 422 F HN 0.567 nan 8.300 nan 0.000 0.447 423 F N 8.194 128.211 119.950 0.113 0.000 2.413 423 F HA 0.317 4.843 4.527 -0.001 0.000 0.359 423 F C 0.127 175.788 175.800 -0.233 0.000 1.122 423 F CA -0.322 57.705 58.000 0.045 0.000 1.160 423 F CB 0.497 39.609 39.000 0.187 0.000 1.146 423 F HN 0.531 nan 8.300 nan 0.000 0.514 424 N N 3.528 121.880 118.700 -0.581 0.000 2.517 424 N HA 0.089 4.828 4.740 -0.001 0.000 0.285 424 N C -1.340 173.928 175.510 -0.402 0.000 1.528 424 N CA -0.503 52.288 53.050 -0.431 0.000 0.892 424 N CB -0.629 37.754 38.487 -0.173 0.000 1.356 424 N HN 0.649 nan 8.380 nan 0.000 0.495 425 H N 0.357 118.890 119.070 -0.895 0.000 2.504 425 H HA 0.419 4.975 4.556 -0.001 0.000 0.322 425 H C -0.473 174.657 175.328 -0.330 0.000 1.055 425 H CA -0.663 55.036 56.048 -0.581 0.000 1.231 425 H CB 1.033 30.395 29.762 -0.666 0.000 1.417 425 H HN 0.122 nan 8.280 nan 0.000 0.472 426 R N 4.281 124.382 120.500 -0.666 0.000 2.248 426 R HA 0.433 4.773 4.340 -0.001 0.000 0.328 426 R C -0.448 175.593 176.300 -0.431 0.000 1.067 426 R CA -0.442 55.437 56.100 -0.368 0.000 0.924 426 R CB 0.162 30.334 30.300 -0.215 0.000 1.013 426 R HN 0.830 nan 8.270 nan 0.000 0.454 427 A N 3.342 126.217 122.820 0.091 0.000 2.584 427 A HA -0.059 4.261 4.320 -0.001 0.000 0.239 427 A C 1.313 178.975 177.584 0.130 0.000 1.043 427 A CA 0.739 53.006 52.037 0.383 0.000 0.756 427 A CB 0.184 19.530 19.000 0.577 0.000 0.963 427 A HN 1.007 nan 8.150 nan 0.000 0.511 428 S N 1.577 117.378 115.700 0.169 0.000 2.481 428 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 428 S C 0.889 175.468 174.600 -0.036 0.000 0.996 428 S CA 0.953 59.185 58.200 0.054 0.000 0.942 428 S CB -0.355 62.905 63.200 0.100 0.000 0.768 428 S HN 0.949 nan 8.310 nan 0.000 0.520 429 N N 0.659 119.295 118.700 -0.107 0.000 2.238 429 N HA 0.233 4.972 4.740 -0.001 0.000 0.222 429 N C -0.162 175.255 175.510 -0.156 0.000 1.133 429 N CA -0.415 52.521 53.050 -0.190 0.000 0.854 429 N CB -0.648 37.614 38.487 -0.375 0.000 1.041 429 N HN 0.369 nan 8.380 nan 0.000 0.510 430 L N 1.314 122.484 121.223 -0.088 0.000 2.525 430 L HA -0.028 4.312 4.340 -0.001 0.000 0.278 430 L C 1.531 178.330 176.870 -0.118 0.000 1.218 430 L CA -0.239 54.547 54.840 -0.090 0.000 0.878 430 L CB 0.987 42.990 42.059 -0.093 0.000 1.127 430 L HN 0.163 nan 8.230 nan 0.000 0.492 431 V N -0.288 119.512 119.914 -0.190 0.000 3.608 431 V HA 0.060 4.180 4.120 -0.001 0.000 0.269 431 V C 0.499 176.530 176.094 -0.106 0.000 1.245 431 V CA -0.433 61.739 62.300 -0.214 0.000 1.138 431 V CB -0.835 30.754 31.823 -0.389 0.000 0.841 431 V HN 0.589 nan 8.190 nan 0.000 0.451 432 W N 1.913 123.173 121.300 -0.067 0.000 2.161 432 W HA 0.526 5.186 4.660 -0.001 0.000 0.344 432 W C -1.679 174.696 176.519 -0.240 0.000 1.262 432 W CA -2.044 55.217 57.345 -0.141 0.000 1.270 432 W CB -0.057 29.188 29.460 -0.358 0.000 1.126 432 W HN 0.006 nan 8.180 nan 0.000 0.598 433 P HA -0.044 nan 4.420 nan 0.000 0.273 433 P C 0.350 177.538 177.300 -0.186 0.000 1.250 433 P CA 0.246 63.281 63.100 -0.109 0.000 0.793 433 P CB 0.908 32.563 31.700 -0.075 0.000 1.011 434 E N 0.635 120.801 120.200 -0.057 0.000 2.110 434 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 434 E C 1.925 178.525 176.600 -0.001 0.000 0.988 434 E CA 1.292 57.676 56.400 -0.025 0.000 0.804 434 E CB -0.491 29.231 29.700 0.038 0.000 0.745 434 E HN 0.709 nan 8.360 nan 0.000 0.458 435 W N 0.504 121.826 121.300 0.036 0.000 2.364 435 W HA -0.121 4.539 4.660 -0.001 0.000 0.281 435 W C 1.506 178.058 176.519 0.056 0.000 1.219 435 W CA 0.539 57.918 57.345 0.057 0.000 1.220 435 W CB -0.822 28.685 29.460 0.078 0.000 1.127 435 W HN -0.021 nan 8.180 nan 0.000 0.556 436 M N 1.284 120.496 119.600 -0.647 0.000 2.476 436 M HA 0.116 4.595 4.480 -0.001 0.000 0.262 436 M C 1.771 177.912 176.300 -0.265 0.000 1.079 436 M CA 1.661 56.543 55.300 -0.697 0.000 1.104 436 M CB -0.685 31.291 32.600 -1.040 0.000 1.409 436 M HN 0.199 nan 8.290 nan 0.000 0.467 437 G N 0.394 109.104 108.800 -0.150 0.000 2.556 437 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.283 437 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.283 437 G C -0.199 174.665 174.900 -0.060 0.000 1.177 437 G CA -0.242 44.827 45.100 -0.051 0.000 0.978 437 G HN 0.199 nan 8.290 nan 0.000 0.554 438 V N 1.822 121.737 119.914 0.002 0.000 2.299 438 V HA 0.415 4.535 4.120 -0.001 0.000 0.255 438 V C 1.001 177.182 176.094 0.144 0.000 1.100 438 V CA -0.045 62.295 62.300 0.067 0.000 0.938 438 V CB 0.122 31.969 31.823 0.040 0.000 1.139 438 V HN 0.524 nan 8.190 nan 0.000 0.490 439 I N 3.200 123.844 120.570 0.123 0.000 2.634 439 I HA 0.134 4.303 4.170 -0.001 0.000 0.284 439 I C 0.964 177.322 176.117 0.402 0.000 1.124 439 I CA -0.477 60.906 61.300 0.139 0.000 1.417 439 I CB 0.262 38.172 38.000 -0.151 0.000 1.396 439 I HN 0.594 nan 8.210 nan 0.000 0.571 440 H N 5.257 124.495 119.070 0.280 0.000 3.231 440 H HA 0.063 4.619 4.556 -0.001 0.000 0.280 440 H C 1.027 176.506 175.328 0.252 0.000 0.901 440 H CA 1.103 57.316 56.048 0.275 0.000 1.414 440 H CB -0.051 29.884 29.762 0.288 0.000 1.433 440 H HN 0.780 nan 8.280 nan 0.000 0.549 441 G N 3.622 112.330 108.800 -0.153 0.000 2.176 441 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.232 441 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.232 441 G C 0.499 175.376 174.900 -0.037 0.000 0.986 441 G CA 0.338 45.302 45.100 -0.226 0.000 0.643 441 G HN 0.639 nan 8.290 nan 0.000 0.522 442 Y N 1.116 121.560 120.300 0.240 0.000 2.493 442 Y HA 0.248 4.797 4.550 -0.001 0.000 0.275 442 Y C 2.249 178.311 175.900 0.269 0.000 1.183 442 Y CA 0.791 59.099 58.100 0.347 0.000 1.258 442 Y CB 0.520 39.212 38.460 0.386 0.000 1.108 442 Y HN 0.457 nan 8.280 nan 0.000 0.521 443 E N 0.325 120.481 120.200 -0.073 0.000 2.400 443 E HA -0.062 4.288 4.350 -0.001 0.000 0.195 443 E C 1.607 178.148 176.600 -0.098 0.000 1.012 443 E CA 0.682 56.721 56.400 -0.602 0.000 0.875 443 E CB -0.384 28.598 29.700 -1.197 0.000 0.859 443 E HN 0.535 nan 8.360 nan 0.000 0.498 444 I N 2.636 123.248 120.570 0.070 0.000 2.151 444 I HA -0.317 3.852 4.170 -0.001 0.000 0.243 444 I C 2.645 178.841 176.117 0.132 0.000 1.080 444 I CA 2.184 63.585 61.300 0.168 0.000 1.339 444 I CB -0.568 37.596 38.000 0.272 0.000 1.039 444 I HN 0.225 nan 8.210 nan 0.000 0.409 445 E N 0.994 121.227 120.200 0.054 0.000 2.209 445 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 445 E C 2.044 178.498 176.600 -0.243 0.000 0.993 445 E CA 1.468 57.806 56.400 -0.103 0.000 0.819 445 E CB -0.521 29.107 29.700 -0.120 0.000 0.745 445 E HN 0.447 nan 8.360 nan 0.000 0.477 446 F N 1.174 121.048 119.950 -0.127 0.000 2.234 446 F HA -0.045 4.482 4.527 -0.001 0.000 0.296 446 F C 2.387 178.016 175.800 -0.284 0.000 1.089 446 F CA 0.593 58.474 58.000 -0.199 0.000 1.343 446 F CB -0.162 38.772 39.000 -0.111 0.000 1.040 446 F HN -0.137 nan 8.300 nan 0.000 0.498 447 V N -0.903 118.918 119.914 -0.155 0.000 2.427 447 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 447 V C 1.757 177.633 176.094 -0.363 0.000 1.051 447 V CA 1.607 63.652 62.300 -0.424 0.000 1.048 447 V CB -0.659 30.906 31.823 -0.430 0.000 0.666 447 V HN 0.200 nan 8.190 nan 0.000 0.456 448 F N 0.577 120.402 119.950 -0.209 0.000 2.811 448 F HA 0.372 4.899 4.527 -0.001 0.000 0.301 448 F C 1.854 177.578 175.800 -0.128 0.000 1.151 448 F CA 0.740 58.645 58.000 -0.157 0.000 1.412 448 F CB -0.420 38.469 39.000 -0.185 0.000 1.113 448 F HN 0.273 nan 8.300 nan 0.000 0.579 449 G N -0.005 108.721 108.800 -0.123 0.000 2.137 449 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.237 449 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.237 449 G C 1.077 175.686 174.900 -0.484 0.000 1.002 449 G CA 0.285 45.246 45.100 -0.232 0.000 0.702 449 G HN 0.248 nan 8.290 nan 0.000 0.515 450 L N -0.068 120.840 121.223 -0.526 0.000 2.131 450 L HA -0.031 4.308 4.340 -0.001 0.000 0.210 450 L C 0.101 176.543 176.870 -0.714 0.000 1.092 450 L CA 2.439 56.904 54.840 -0.624 0.000 0.759 450 L CB -1.844 39.983 42.059 -0.387 0.000 0.903 450 L HN 0.188 nan 8.230 nan 0.000 0.435 451 P HA -0.093 nan 4.420 nan 0.000 0.231 451 P C 1.581 178.630 177.300 -0.419 0.000 1.158 451 P CA 0.716 63.204 63.100 -1.019 0.000 0.763 451 P CB 0.092 31.123 31.700 -1.116 0.000 0.805 452 L N -2.083 118.903 121.223 -0.396 0.000 2.509 452 L HA 0.017 4.357 4.340 -0.001 0.000 0.222 452 L C 0.636 177.372 176.870 -0.224 0.000 1.123 452 L CA 0.640 55.329 54.840 -0.252 0.000 0.856 452 L CB -0.320 41.605 42.059 -0.222 0.000 0.985 452 L HN -0.256 nan 8.230 nan 0.000 0.456 453 V N 0.091 119.830 119.914 -0.292 0.000 2.353 453 V HA 0.074 4.194 4.120 -0.001 0.000 0.264 453 V C 1.293 177.339 176.094 -0.080 0.000 1.049 453 V CA -0.358 61.824 62.300 -0.197 0.000 0.896 453 V CB 0.671 32.336 31.823 -0.263 0.000 1.025 453 V HN 0.263 nan 8.190 nan 0.000 0.475 454 K N 2.599 122.968 120.400 -0.053 0.000 2.147 454 K HA -0.172 4.148 4.320 -0.001 0.000 0.205 454 K C 1.532 178.120 176.600 -0.020 0.000 1.049 454 K CA 1.466 57.739 56.287 -0.022 0.000 0.936 454 K CB 0.080 32.566 32.500 -0.023 0.000 0.722 454 K HN 0.687 nan 8.250 nan 0.000 0.446 455 E N 0.650 120.832 120.200 -0.031 0.000 2.472 455 E HA -0.108 4.242 4.350 -0.001 0.000 0.200 455 E C 1.186 177.758 176.600 -0.046 0.000 1.046 455 E CA 0.649 57.027 56.400 -0.036 0.000 0.871 455 E CB -0.049 29.630 29.700 -0.035 0.000 0.806 455 E HN 0.278 nan 8.360 nan 0.000 0.533 456 L N 0.099 121.303 121.223 -0.032 0.000 2.554 456 L HA 0.135 4.475 4.340 -0.001 0.000 0.225 456 L C -0.098 176.693 176.870 -0.132 0.000 1.104 456 L CA -0.196 54.613 54.840 -0.052 0.000 0.866 456 L CB -0.085 42.001 42.059 0.044 0.000 1.047 456 L HN 0.078 nan 8.230 nan 0.000 0.468 457 N N -0.976 117.687 118.700 -0.062 0.000 2.816 457 N HA -0.195 4.544 4.740 -0.001 0.000 0.247 457 N C -0.690 174.735 175.510 -0.142 0.000 1.100 457 N CA 0.708 53.701 53.050 -0.096 0.000 0.687 457 N CB -1.793 36.612 38.487 -0.137 0.000 1.003 457 N HN 0.263 nan 8.380 nan 0.000 0.554 458 Y N 0.381 120.646 120.300 -0.057 0.000 2.340 458 Y HA 0.404 4.954 4.550 -0.001 0.000 0.327 458 Y C 1.930 177.830 175.900 0.000 0.000 1.321 458 Y CA -0.029 58.058 58.100 -0.022 0.000 1.433 458 Y CB 0.431 38.850 38.460 -0.068 0.000 1.373 458 Y HN 0.117 nan 8.280 nan 0.000 0.538 459 T N -2.137 112.552 114.554 0.226 0.000 2.847 459 T HA 0.481 4.831 4.350 -0.001 0.000 0.279 459 T C 1.171 175.931 174.700 0.101 0.000 0.984 459 T CA -0.296 61.883 62.100 0.132 0.000 0.988 459 T CB 1.221 70.167 68.868 0.130 0.000 1.040 459 T HN 0.753 nan 8.240 nan 0.000 0.528 460 A N 0.859 123.713 122.820 0.057 0.000 1.892 460 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 460 A C 2.139 179.738 177.584 0.025 0.000 1.188 460 A CA 1.994 54.050 52.037 0.030 0.000 0.631 460 A CB -1.227 17.784 19.000 0.019 0.000 0.822 460 A HN 0.938 nan 8.150 nan 0.000 0.447 461 E N 0.070 120.289 120.200 0.032 0.000 2.153 461 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 461 E C 1.871 178.474 176.600 0.005 0.000 0.988 461 E CA 1.431 57.835 56.400 0.007 0.000 0.811 461 E CB -0.222 29.480 29.700 0.004 0.000 0.746 461 E HN 0.786 nan 8.360 nan 0.000 0.466 462 E N 0.407 120.655 120.200 0.080 0.000 2.107 462 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 462 E C 2.031 178.688 176.600 0.094 0.000 0.982 462 E CA 0.847 57.361 56.400 0.190 0.000 0.809 462 E CB 0.016 29.959 29.700 0.404 0.000 0.756 462 E HN 0.329 nan 8.360 nan 0.000 0.459 463 E N 0.946 121.146 120.200 0.000 0.000 2.051 463 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 463 E C 2.082 178.654 176.600 -0.046 0.000 0.991 463 E CA 1.083 57.440 56.400 -0.073 0.000 0.799 463 E CB -0.093 29.568 29.700 -0.065 0.000 0.748 463 E HN 0.197 nan 8.360 nan 0.000 0.449 464 A N 1.278 124.081 122.820 -0.028 0.000 1.892 464 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 464 A C 2.188 179.748 177.584 -0.039 0.000 1.188 464 A CA 1.649 53.663 52.037 -0.037 0.000 0.631 464 A CB -0.839 18.142 19.000 -0.032 0.000 0.822 464 A HN 0.422 nan 8.150 nan 0.000 0.447 465 L N -0.181 121.031 121.223 -0.019 0.000 2.017 465 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 465 L C 2.578 179.470 176.870 0.036 0.000 1.073 465 L CA 2.713 57.541 54.840 -0.021 0.000 0.745 465 L CB -1.040 40.968 42.059 -0.085 0.000 0.894 465 L HN 0.351 nan 8.230 nan 0.000 0.432 466 S N -0.675 115.105 115.700 0.134 0.000 2.365 466 S HA -0.261 4.208 4.470 -0.001 0.000 0.225 466 S C 2.197 176.762 174.600 -0.058 0.000 1.039 466 S CA 1.703 59.940 58.200 0.062 0.000 1.033 466 S CB -0.268 62.877 63.200 -0.092 0.000 0.887 466 S HN 0.548 nan 8.310 nan 0.000 0.447 467 R N 0.095 120.553 120.500 -0.070 0.000 2.096 467 R HA -0.000 4.339 4.340 -0.001 0.000 0.235 467 R C 2.708 178.955 176.300 -0.088 0.000 1.127 467 R CA 1.451 57.504 56.100 -0.079 0.000 0.968 467 R CB -0.257 29.993 30.300 -0.084 0.000 0.861 467 R HN 0.389 nan 8.270 nan 0.000 0.440 468 R N 0.789 121.214 120.500 -0.125 0.000 2.073 468 R HA -0.040 4.300 4.340 -0.001 0.000 0.229 468 R C 2.064 178.176 176.300 -0.313 0.000 1.120 468 R CA 1.176 57.121 56.100 -0.258 0.000 0.967 468 R CB -0.065 30.079 30.300 -0.261 0.000 0.862 468 R HN 0.159 nan 8.270 nan 0.000 0.436 469 I N 0.257 120.751 120.570 -0.126 0.000 2.286 469 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 469 I C 2.377 178.443 176.117 -0.084 0.000 1.104 469 I CA 1.149 62.410 61.300 -0.066 0.000 1.397 469 I CB -0.152 37.670 38.000 -0.296 0.000 1.072 469 I HN 0.254 nan 8.210 nan 0.000 0.417 470 M N -0.385 119.140 119.600 -0.126 0.000 2.108 470 M HA -0.280 4.199 4.480 -0.001 0.000 0.261 470 M C 2.449 178.815 176.300 0.111 0.000 1.066 470 M CA 1.885 57.148 55.300 -0.062 0.000 1.107 470 M CB -0.774 31.786 32.600 -0.067 0.000 1.356 470 M HN 0.288 nan 8.290 nan 0.000 0.406 471 H N -0.447 118.619 119.070 -0.007 0.000 2.395 471 H HA -0.122 4.433 4.556 -0.001 0.000 0.299 471 H C 1.570 177.003 175.328 0.174 0.000 1.070 471 H CA 1.746 57.808 56.048 0.024 0.000 1.356 471 H CB -0.026 29.697 29.762 -0.065 0.000 1.401 471 H HN 0.259 nan 8.280 nan 0.000 0.524 472 Y N -0.648 119.791 120.300 0.232 0.000 2.097 472 Y HA -0.280 4.270 4.550 -0.001 0.000 0.282 472 Y C 2.579 178.676 175.900 0.329 0.000 1.152 472 Y CA 1.210 59.499 58.100 0.314 0.000 1.136 472 Y CB -1.131 37.721 38.460 0.653 0.000 0.975 472 Y HN 0.366 nan 8.280 nan 0.000 0.498 473 W N -0.612 120.797 121.300 0.181 0.000 2.335 473 W HA -0.230 4.430 4.660 -0.001 0.000 0.311 473 W C 2.561 179.085 176.519 0.009 0.000 1.213 473 W CA 1.118 58.501 57.345 0.062 0.000 1.274 473 W CB -0.445 28.992 29.460 -0.037 0.000 1.148 473 W HN 0.065 nan 8.180 nan 0.000 0.498 474 A N -0.201 122.732 122.820 0.189 0.000 1.929 474 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 474 A C 1.799 179.365 177.584 -0.030 0.000 1.176 474 A CA 1.976 54.037 52.037 0.040 0.000 0.628 474 A CB -1.086 17.933 19.000 0.032 0.000 0.816 474 A HN 0.179 nan 8.150 nan 0.000 0.444 475 T N -0.706 113.786 114.554 -0.103 0.000 2.821 475 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 475 T C 1.584 176.228 174.700 -0.092 0.000 1.046 475 T CA 1.392 63.399 62.100 -0.155 0.000 1.139 475 T CB -0.370 68.340 68.868 -0.264 0.000 0.871 475 T HN 0.478 nan 8.240 nan 0.000 0.454 476 F N 2.440 122.288 119.950 -0.170 0.000 2.102 476 F HA 0.002 4.529 4.527 -0.001 0.000 0.298 476 F C 2.429 178.143 175.800 -0.144 0.000 1.105 476 F CA 1.029 58.897 58.000 -0.220 0.000 1.239 476 F CB -0.628 38.184 39.000 -0.314 0.000 0.991 476 F HN 0.140 nan 8.300 nan 0.000 0.474 477 A N 0.026 122.783 122.820 -0.105 0.000 1.969 477 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 477 A C 2.325 179.789 177.584 -0.200 0.000 1.169 477 A CA 1.707 53.645 52.037 -0.165 0.000 0.635 477 A CB -0.769 18.201 19.000 -0.049 0.000 0.810 477 A HN 0.478 nan 8.150 nan 0.000 0.445 478 K N -0.749 119.558 120.400 -0.155 0.000 2.062 478 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 478 K C 1.709 178.217 176.600 -0.153 0.000 1.051 478 K CA 1.825 58.040 56.287 -0.120 0.000 0.941 478 K CB -0.041 32.410 32.500 -0.081 0.000 0.719 478 K HN 0.612 nan 8.250 nan 0.000 0.440 479 T N -5.063 109.366 114.554 -0.209 0.000 2.975 479 T HA 0.242 4.591 4.350 -0.001 0.000 0.261 479 T C 1.060 175.608 174.700 -0.252 0.000 0.984 479 T CA 0.487 62.475 62.100 -0.186 0.000 0.911 479 T CB 0.945 69.731 68.868 -0.136 0.000 1.127 479 T HN 0.299 nan 8.240 nan 0.000 0.514 480 G N 1.598 110.104 108.800 -0.491 0.000 2.143 480 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.249 480 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.249 480 G C -0.165 174.575 174.900 -0.267 0.000 0.981 480 G CA 0.080 44.800 45.100 -0.633 0.000 0.665 480 G HN 0.828 nan 8.290 nan 0.000 0.528 481 N N -0.273 118.299 118.700 -0.215 0.000 2.454 481 N HA 0.435 5.175 4.740 -0.001 0.000 0.291 481 N C -1.556 173.805 175.510 -0.248 0.000 1.079 481 N CA -1.585 51.344 53.050 -0.201 0.000 0.893 481 N CB 2.431 40.866 38.487 -0.086 0.000 1.512 481 N HN -0.057 nan 8.380 nan 0.000 0.497 482 P HA -0.041 nan 4.420 nan 0.000 0.226 482 P C -0.477 176.838 177.300 0.026 0.000 1.153 482 P CA 0.592 63.566 63.100 -0.211 0.000 0.777 482 P CB 0.303 31.675 31.700 -0.545 0.000 0.794 483 N N 1.955 120.625 118.700 -0.051 0.000 2.488 483 N HA 0.059 4.799 4.740 -0.001 0.000 0.274 483 N C 0.299 175.835 175.510 0.043 0.000 1.111 483 N CA -0.009 53.097 53.050 0.092 0.000 0.974 483 N CB 0.709 39.253 38.487 0.096 0.000 1.089 483 N HN 0.082 nan 8.380 nan 0.000 0.465 484 E N 3.101 123.355 120.200 0.090 0.000 2.498 484 E HA 0.037 4.387 4.350 -0.001 0.000 0.252 484 E C -1.864 174.740 176.600 0.007 0.000 1.025 484 E CA -0.969 55.468 56.400 0.061 0.000 0.938 484 E CB 0.171 29.952 29.700 0.134 0.000 0.947 484 E HN 0.361 nan 8.360 nan 0.000 0.478 485 P HA -0.060 nan 4.420 nan 0.000 0.268 485 P C -0.612 176.539 177.300 -0.250 0.000 1.205 485 P CA 0.082 63.024 63.100 -0.263 0.000 0.771 485 P CB 0.375 31.806 31.700 -0.448 0.000 0.858 486 H N -1.560 117.544 119.070 0.057 0.000 2.861 486 H HA -0.074 4.482 4.556 -0.001 0.000 0.319 486 H C 0.019 175.381 175.328 0.057 0.000 0.994 486 H CA 1.026 57.104 56.048 0.051 0.000 1.032 486 H CB -2.255 27.531 29.762 0.040 0.000 1.615 486 H HN 0.602 nan 8.280 nan 0.000 0.357 487 S N 1.172 116.962 115.700 0.151 0.000 2.548 487 S HA 0.270 4.740 4.470 -0.001 0.000 0.278 487 S C 0.606 175.269 174.600 0.104 0.000 1.150 487 S CA -0.853 57.415 58.200 0.114 0.000 0.907 487 S CB 1.833 65.099 63.200 0.110 0.000 1.108 487 S HN 0.272 nan 8.310 nan 0.000 0.459 488 Q N 1.262 121.112 119.800 0.084 0.000 2.472 488 Q HA 0.191 4.530 4.340 -0.001 0.000 0.208 488 Q C -0.080 175.967 176.000 0.078 0.000 0.958 488 Q CA 0.516 56.363 55.803 0.073 0.000 0.932 488 Q CB -0.203 28.569 28.738 0.055 0.000 1.007 488 Q HN 0.653 nan 8.270 nan 0.000 0.508 489 E N 0.915 121.170 120.200 0.092 0.000 2.398 489 E HA 0.042 4.392 4.350 -0.001 0.000 0.263 489 E C -0.421 176.255 176.600 0.125 0.000 1.046 489 E CA 0.076 56.539 56.400 0.106 0.000 0.908 489 E CB 0.585 30.360 29.700 0.126 0.000 0.963 489 E HN -0.096 nan 8.360 nan 0.000 0.431 490 S N 2.040 117.814 115.700 0.122 0.000 2.558 490 S HA -0.014 4.455 4.470 -0.001 0.000 0.293 490 S C -0.239 174.472 174.600 0.186 0.000 1.292 490 S CA 0.086 58.362 58.200 0.127 0.000 1.063 490 S CB 0.158 63.420 63.200 0.102 0.000 0.831 490 S HN 0.221 nan 8.310 nan 0.000 0.499 491 K N 3.203 123.708 120.400 0.175 0.000 2.211 491 K HA 0.138 4.457 4.320 -0.001 0.000 0.275 491 K C -0.695 176.073 176.600 0.281 0.000 1.024 491 K CA -0.534 55.888 56.287 0.225 0.000 0.887 491 K CB 0.721 33.331 32.500 0.183 0.000 1.084 491 K HN 0.613 nan 8.250 nan 0.000 0.463 492 W N 7.759 129.116 121.300 0.095 0.000 2.585 492 W HA 0.123 4.782 4.660 -0.001 0.000 0.337 492 W C -2.330 174.315 176.519 0.210 0.000 1.226 492 W CA -2.570 54.825 57.345 0.082 0.000 1.463 492 W CB -0.149 29.253 29.460 -0.097 0.000 1.458 492 W HN 0.409 nan 8.180 nan 0.000 0.458 493 P HA -0.047 nan 4.420 nan 0.000 0.271 493 P C -0.128 177.392 177.300 0.366 0.000 1.218 493 P CA -0.445 62.880 63.100 0.374 0.000 0.780 493 P CB 1.253 33.092 31.700 0.232 0.000 0.901 494 L N 3.411 124.719 121.223 0.141 0.000 2.543 494 L HA 0.031 4.370 4.340 -0.001 0.000 0.285 494 L C 0.199 177.067 176.870 -0.002 0.000 1.236 494 L CA 0.109 54.833 54.840 -0.194 0.000 0.871 494 L CB -1.089 40.873 42.059 -0.162 0.000 1.121 494 L HN 0.281 nan 8.230 nan 0.000 0.501 495 F N 3.974 123.827 119.950 -0.161 0.000 2.424 495 F HA 0.464 4.990 4.527 -0.001 0.000 0.356 495 F C 0.353 176.129 175.800 -0.040 0.000 1.110 495 F CA -0.382 57.611 58.000 -0.012 0.000 1.161 495 F CB 0.628 39.647 39.000 0.031 0.000 1.115 495 F HN 0.618 nan 8.300 nan 0.000 0.507 496 T N 1.371 115.663 114.554 -0.437 0.000 2.912 496 T HA 0.251 4.601 4.350 -0.001 0.000 0.288 496 T C 0.965 175.421 174.700 -0.406 0.000 1.030 496 T CA -0.471 61.472 62.100 -0.261 0.000 1.020 496 T CB 1.522 70.295 68.868 -0.158 0.000 1.056 496 T HN 0.558 nan 8.240 nan 0.000 0.480 497 T N 0.926 115.399 114.554 -0.135 0.000 2.685 497 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 497 T C 1.747 176.365 174.700 -0.135 0.000 1.034 497 T CA 2.013 64.065 62.100 -0.079 0.000 1.149 497 T CB -0.305 68.544 68.868 -0.032 0.000 0.860 497 T HN 0.767 nan 8.240 nan 0.000 0.449 498 K N 0.394 120.711 120.400 -0.137 0.000 2.021 498 K HA -0.019 4.301 4.320 -0.001 0.000 0.205 498 K C 2.232 178.752 176.600 -0.134 0.000 1.047 498 K CA 1.061 57.285 56.287 -0.105 0.000 0.943 498 K CB 0.140 32.595 32.500 -0.075 0.000 0.725 498 K HN 0.259 nan 8.250 nan 0.000 0.439 499 E N 0.286 120.378 120.200 -0.181 0.000 2.276 499 E HA -0.062 4.287 4.350 -0.001 0.000 0.193 499 E C -0.137 176.332 176.600 -0.218 0.000 0.983 499 E CA 0.192 56.499 56.400 -0.153 0.000 0.861 499 E CB 0.402 30.035 29.700 -0.112 0.000 0.817 499 E HN 0.313 nan 8.360 nan 0.000 0.485 500 Q N 0.894 120.392 119.800 -0.503 0.000 2.468 500 Q HA -0.181 4.159 4.340 -0.001 0.000 0.289 500 Q C -0.739 175.165 176.000 -0.161 0.000 1.299 500 Q CA 0.649 56.000 55.803 -0.754 0.000 0.838 500 Q CB -1.427 27.145 28.738 -0.277 0.000 1.195 500 Q HN 0.168 nan 8.270 nan 0.000 0.456 501 K N 0.533 120.879 120.400 -0.090 0.000 2.185 501 K HA 0.583 4.903 4.320 -0.001 0.000 0.271 501 K C -0.027 176.864 176.600 0.484 0.000 1.013 501 K CA -0.018 56.362 56.287 0.156 0.000 0.943 501 K CB 0.532 33.076 32.500 0.073 0.000 0.998 501 K HN 0.195 nan 8.250 nan 0.000 0.468 502 F N -0.075 120.044 119.950 0.282 0.000 2.715 502 F HA 0.630 5.157 4.527 -0.001 0.000 0.318 502 F C -0.938 174.969 175.800 0.179 0.000 1.141 502 F CA -1.614 56.587 58.000 0.336 0.000 0.950 502 F CB 0.627 39.837 39.000 0.350 0.000 1.374 502 F HN 0.401 nan 8.300 nan 0.000 0.477 503 I N -0.774 119.909 120.570 0.189 0.000 2.797 503 I HA 0.608 4.777 4.170 -0.001 0.000 0.307 503 I C -1.084 175.186 176.117 0.254 0.000 1.033 503 I CA -0.882 60.369 61.300 -0.082 0.000 1.071 503 I CB 1.875 39.599 38.000 -0.460 0.000 1.255 503 I HN 0.417 nan 8.210 nan 0.000 0.445 504 D N 4.471 124.998 120.400 0.212 0.000 2.302 504 D HA 0.425 5.065 4.640 -0.001 0.000 0.248 504 D C -0.583 175.802 176.300 0.141 0.000 1.094 504 D CA 0.212 54.417 54.000 0.342 0.000 0.897 504 D CB 2.069 43.078 40.800 0.349 0.000 1.200 504 D HN 0.445 nan 8.370 nan 0.000 0.429 505 L N 2.970 124.289 121.223 0.160 0.000 2.295 505 L HA 0.292 4.632 4.340 -0.001 0.000 0.281 505 L C -0.116 176.685 176.870 -0.115 0.000 1.018 505 L CA -0.461 54.419 54.840 0.066 0.000 0.841 505 L CB 0.353 42.531 42.059 0.197 0.000 1.218 505 L HN 0.487 nan 8.230 nan 0.000 0.424 506 N N -0.562 118.069 118.700 -0.115 0.000 3.441 506 N HA 0.141 4.880 4.740 -0.001 0.000 0.313 506 N C 0.250 175.657 175.510 -0.171 0.000 1.526 506 N CA -0.180 52.744 53.050 -0.210 0.000 0.871 506 N CB 0.503 38.920 38.487 -0.116 0.000 1.779 506 N HN 0.119 nan 8.380 nan 0.000 0.529 507 T N -3.589 110.850 114.554 -0.192 0.000 3.100 507 T HA 0.248 4.598 4.350 -0.001 0.000 0.253 507 T C 0.041 174.709 174.700 -0.055 0.000 1.118 507 T CA 0.376 62.379 62.100 -0.162 0.000 1.058 507 T CB -0.377 68.359 68.868 -0.220 0.000 0.953 507 T HN 0.505 nan 8.240 nan 0.000 0.515 508 E N 1.997 122.185 120.200 -0.020 0.000 2.312 508 E HA 0.410 4.759 4.350 -0.001 0.000 0.259 508 E C -2.551 174.054 176.600 0.008 0.000 1.122 508 E CA -2.348 54.056 56.400 0.007 0.000 0.922 508 E CB 0.213 29.931 29.700 0.029 0.000 1.109 508 E HN 0.178 nan 8.360 nan 0.000 0.442 509 P HA -0.050 nan 4.420 nan 0.000 0.268 509 P C -0.620 176.688 177.300 0.013 0.000 1.205 509 P CA 0.140 63.250 63.100 0.017 0.000 0.771 509 P CB 0.405 32.115 31.700 0.016 0.000 0.858 510 M N 3.128 122.739 119.600 0.017 0.000 2.260 510 M HA 0.024 4.504 4.480 -0.001 0.000 0.348 510 M C -0.309 175.961 176.300 -0.050 0.000 1.342 510 M CA 0.900 56.198 55.300 -0.003 0.000 1.040 510 M CB 0.130 32.744 32.600 0.025 0.000 1.810 510 M HN 0.137 nan 8.290 nan 0.000 0.453 511 K N 4.407 124.741 120.400 -0.110 0.000 2.345 511 K HA 0.497 4.816 4.320 -0.001 0.000 0.255 511 K C -1.548 174.765 176.600 -0.477 0.000 0.934 511 K CA -0.638 55.495 56.287 -0.257 0.000 0.801 511 K CB 2.311 34.670 32.500 -0.235 0.000 1.137 511 K HN 0.587 nan 8.250 nan 0.000 0.424 512 V N 4.709 124.329 119.914 -0.490 0.000 2.481 512 V HA 0.323 4.442 4.120 -0.001 0.000 0.286 512 V C 0.006 175.634 176.094 -0.778 0.000 1.042 512 V CA -0.483 61.514 62.300 -0.504 0.000 0.928 512 V CB 1.138 32.828 31.823 -0.222 0.000 0.986 512 V HN 0.669 nan 8.190 nan 0.000 0.462 513 H N 3.140 121.856 119.070 -0.589 0.000 2.908 513 H HA 0.631 5.186 4.556 -0.001 0.000 0.350 513 H C -1.033 174.004 175.328 -0.485 0.000 1.217 513 H CA -0.841 54.844 56.048 -0.605 0.000 1.168 513 H CB 2.164 31.424 29.762 -0.836 0.000 1.891 513 H HN 0.568 nan 8.280 nan 0.000 0.566 514 Q N 0.274 120.088 119.800 0.022 0.000 2.413 514 Q HA 0.410 4.749 4.340 -0.001 0.000 0.276 514 Q C -0.540 175.668 176.000 0.347 0.000 1.099 514 Q CA -0.973 54.935 55.803 0.176 0.000 0.814 514 Q CB 2.713 31.494 28.738 0.072 0.000 1.379 514 Q HN 0.471 nan 8.270 nan 0.000 0.436 515 R N 0.750 121.463 120.500 0.355 0.000 3.152 515 R HA -0.195 4.145 4.340 -0.001 0.000 0.252 515 R C -0.673 175.774 176.300 0.245 0.000 0.930 515 R CA -0.209 56.048 56.100 0.263 0.000 0.642 515 R CB -1.629 28.764 30.300 0.156 0.000 1.205 515 R HN 0.458 nan 8.270 nan 0.000 0.452 516 L N 2.305 123.639 121.223 0.184 0.000 2.737 516 L HA -0.082 4.257 4.340 -0.001 0.000 0.275 516 L C 1.018 177.847 176.870 -0.068 0.000 1.179 516 L CA 1.040 55.754 54.840 -0.209 0.000 0.970 516 L CB -0.377 41.268 42.059 -0.691 0.000 1.268 516 L HN 0.476 nan 8.230 nan 0.000 0.485 517 R N 2.130 122.597 120.500 -0.056 0.000 3.502 517 R HA -0.226 4.114 4.340 -0.001 0.000 0.266 517 R C 1.322 177.677 176.300 0.092 0.000 1.077 517 R CA 0.638 56.754 56.100 0.026 0.000 0.718 517 R CB -1.953 28.381 30.300 0.056 0.000 1.120 517 R HN 0.655 nan 8.270 nan 0.000 0.457 518 V N 0.415 120.384 119.914 0.090 0.000 2.324 518 V HA -0.367 3.753 4.120 -0.001 0.000 0.250 518 V C 2.374 178.536 176.094 0.114 0.000 1.060 518 V CA 2.671 65.039 62.300 0.113 0.000 1.042 518 V CB -0.104 31.783 31.823 0.106 0.000 0.650 518 V HN 0.466 nan 8.190 nan 0.000 0.450 519 Q N -0.932 118.916 119.800 0.080 0.000 2.002 519 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 519 Q C 2.128 178.184 176.000 0.093 0.000 0.988 519 Q CA 2.464 58.300 55.803 0.056 0.000 0.843 519 Q CB -0.391 28.347 28.738 0.000 0.000 0.908 519 Q HN 0.531 nan 8.270 nan 0.000 0.420 520 M N -0.878 118.792 119.600 0.118 0.000 2.159 520 M HA -0.160 4.320 4.480 -0.001 0.000 0.263 520 M C 2.367 178.936 176.300 0.449 0.000 1.063 520 M CA 1.068 56.513 55.300 0.242 0.000 1.110 520 M CB -1.381 31.413 32.600 0.323 0.000 1.374 520 M HN 0.339 nan 8.290 nan 0.000 0.411 521 c N -0.717 118.097 118.600 0.356 0.000 2.446 521 c HA -0.005 4.565 4.570 -0.001 0.000 0.279 521 c C 2.926 177.197 174.090 0.301 0.000 1.366 521 c CA 0.100 56.651 56.329 0.370 0.000 1.763 521 c CB -0.871 41.796 42.510 0.262 0.000 1.929 521 c HN 0.330 nan 8.230 nan 0.000 0.509 522 V N 0.829 120.883 119.914 0.234 0.000 2.343 522 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 522 V C 2.081 178.301 176.094 0.210 0.000 1.051 522 V CA 2.327 64.741 62.300 0.190 0.000 1.036 522 V CB -0.832 31.074 31.823 0.139 0.000 0.654 522 V HN 0.561 nan 8.190 nan 0.000 0.451 523 F N -0.035 119.961 119.950 0.077 0.000 2.046 523 F HA -0.238 4.289 4.527 -0.001 0.000 0.297 523 F C 2.053 177.865 175.800 0.020 0.000 1.123 523 F CA 1.991 59.999 58.000 0.013 0.000 1.199 523 F CB -0.462 38.431 39.000 -0.177 0.000 0.972 523 F HN 0.159 nan 8.300 nan 0.000 0.474 524 W N 0.484 121.918 121.300 0.223 0.000 2.388 524 W HA -0.136 4.523 4.660 -0.001 0.000 0.294 524 W C 2.148 178.659 176.519 -0.015 0.000 1.212 524 W CA 0.956 58.359 57.345 0.097 0.000 1.271 524 W CB -0.464 29.159 29.460 0.272 0.000 1.126 524 W HN -0.001 nan 8.180 nan 0.000 0.535 525 N N -0.850 117.984 118.700 0.223 0.000 2.409 525 N HA -0.023 4.717 4.740 -0.001 0.000 0.174 525 N C 1.371 176.889 175.510 0.013 0.000 1.037 525 N CA 0.907 54.002 53.050 0.075 0.000 0.898 525 N CB -0.060 38.490 38.487 0.104 0.000 1.010 525 N HN 0.203 nan 8.380 nan 0.000 0.445 526 Q N -0.958 118.868 119.800 0.043 0.000 2.644 526 Q HA 0.309 4.649 4.340 -0.001 0.000 0.220 526 Q C 1.383 177.384 176.000 0.002 0.000 0.866 526 Q CA 0.028 55.854 55.803 0.038 0.000 0.915 526 Q CB -0.238 28.555 28.738 0.093 0.000 1.191 526 Q HN 0.173 nan 8.270 nan 0.000 0.641 527 F N 0.615 120.472 119.950 -0.156 0.000 2.098 527 F HA -0.101 4.425 4.527 -0.001 0.000 0.294 527 F C 1.765 177.366 175.800 -0.333 0.000 1.107 527 F CA 1.002 58.877 58.000 -0.210 0.000 1.234 527 F CB -0.330 38.574 39.000 -0.159 0.000 1.002 527 F HN 0.162 nan 8.300 nan 0.000 0.472 528 L N 1.346 122.132 121.223 -0.727 0.000 2.012 528 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 528 L C -0.889 175.712 176.870 -0.448 0.000 1.073 528 L CA 2.136 56.497 54.840 -0.797 0.000 0.748 528 L CB -1.928 39.542 42.059 -0.981 0.000 0.891 528 L HN 0.010 nan 8.230 nan 0.000 0.431 529 P HA -0.221 nan 4.420 nan 0.000 0.216 529 P C 1.420 178.604 177.300 -0.194 0.000 1.150 529 P CA 1.660 64.665 63.100 -0.158 0.000 0.837 529 P CB -0.086 31.552 31.700 -0.103 0.000 0.786 530 K N -0.273 119.979 120.400 -0.247 0.000 2.148 530 K HA -0.113 4.206 4.320 -0.001 0.000 0.204 530 K C 2.029 178.452 176.600 -0.295 0.000 1.050 530 K CA 0.813 56.965 56.287 -0.223 0.000 0.942 530 K CB -0.689 31.703 32.500 -0.180 0.000 0.724 530 K HN 0.053 nan 8.250 nan 0.000 0.446 531 L N 1.013 121.938 121.223 -0.496 0.000 1.994 531 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 531 L C 2.091 178.810 176.870 -0.252 0.000 1.071 531 L CA 1.289 55.855 54.840 -0.456 0.000 0.745 531 L CB -0.169 41.487 42.059 -0.671 0.000 0.892 531 L HN 0.230 nan 8.230 nan 0.000 0.431 532 L N -0.231 120.861 121.223 -0.219 0.000 2.141 532 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 532 L C 2.418 179.237 176.870 -0.086 0.000 1.094 532 L CA 1.494 56.261 54.840 -0.122 0.000 0.763 532 L CB -0.866 41.152 42.059 -0.069 0.000 0.908 532 L HN 0.499 nan 8.230 nan 0.000 0.437 533 N N 0.477 119.120 118.700 -0.095 0.000 2.188 533 N HA -0.153 4.586 4.740 -0.001 0.000 0.184 533 N C 1.787 177.259 175.510 -0.063 0.000 1.018 533 N CA 1.255 54.264 53.050 -0.068 0.000 0.858 533 N CB 0.227 38.673 38.487 -0.068 0.000 0.989 533 N HN 0.313 nan 8.380 nan 0.000 0.426 534 A N 0.278 123.049 122.820 -0.082 0.000 1.975 534 A HA 0.041 4.361 4.320 -0.001 0.000 0.215 534 A C 1.341 178.894 177.584 -0.052 0.000 1.170 534 A CA 1.017 53.017 52.037 -0.063 0.000 0.656 534 A CB -0.487 18.470 19.000 -0.072 0.000 0.821 534 A HN 0.510 nan 8.150 nan 0.000 0.449 535 T N 0.000 114.517 114.554 -0.061 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 535 T CB 0.000 68.835 68.868 -0.054 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658