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 1gqs_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 0.058 0.000 1.107 4 S CB 0.000 63.228 63.200 0.047 0.000 0.593 5 E N 2.443 122.697 120.200 0.090 0.000 2.209 5 E HA -0.072 4.278 4.350 -0.001 0.000 0.196 5 E C 0.916 177.632 176.600 0.195 0.000 0.993 5 E CA 1.328 57.809 56.400 0.135 0.000 0.819 5 E CB -0.091 29.680 29.700 0.118 0.000 0.745 5 E HN 0.693 nan 8.360 nan 0.000 0.477 6 L N 1.090 122.378 121.223 0.109 0.000 2.653 6 L HA 0.197 4.537 4.340 -0.001 0.000 0.232 6 L C -0.098 176.896 176.870 0.206 0.000 1.169 6 L CA -0.343 54.527 54.840 0.051 0.000 0.951 6 L CB 0.262 42.267 42.059 -0.089 0.000 1.181 6 L HN 0.151 nan 8.230 nan 0.000 0.460 7 L N 0.273 121.653 121.223 0.262 0.000 2.381 7 L HA 0.629 4.968 4.340 -0.001 0.000 0.274 7 L C -0.817 176.174 176.870 0.202 0.000 0.988 7 L CA -0.351 54.638 54.840 0.248 0.000 0.824 7 L CB 1.974 44.113 42.059 0.133 0.000 1.263 7 L HN -0.310 nan 8.230 nan 0.000 0.410 8 V N 4.278 124.289 119.914 0.162 0.000 2.760 8 V HA 0.529 4.648 4.120 -0.001 0.000 0.309 8 V C -0.722 175.295 176.094 -0.128 0.000 1.077 8 V CA -0.835 61.385 62.300 -0.134 0.000 0.910 8 V CB 2.206 33.641 31.823 -0.646 0.000 1.008 8 V HN 0.712 nan 8.190 nan 0.000 0.424 9 N N 2.708 121.258 118.700 -0.251 0.000 2.457 9 N HA 0.497 5.237 4.740 -0.001 0.000 0.250 9 N C -0.327 174.853 175.510 -0.549 0.000 0.982 9 N CA -0.037 52.836 53.050 -0.296 0.000 0.941 9 N CB 1.904 40.205 38.487 -0.310 0.000 1.120 9 N HN 0.942 nan 8.380 nan 0.000 0.505 10 T N -0.742 113.605 114.554 -0.345 0.000 2.932 10 T HA 0.360 4.710 4.350 -0.001 0.000 0.289 10 T C 1.234 175.725 174.700 -0.347 0.000 1.039 10 T CA -0.679 61.210 62.100 -0.352 0.000 1.024 10 T CB 1.806 70.719 68.868 0.075 0.000 1.090 10 T HN 0.305 nan 8.240 nan 0.000 0.496 11 K N 0.976 121.203 120.400 -0.288 0.000 2.189 11 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 11 K C 2.296 178.750 176.600 -0.244 0.000 1.046 11 K CA 1.843 57.998 56.287 -0.219 0.000 0.928 11 K CB -0.348 32.081 32.500 -0.118 0.000 0.720 11 K HN 0.528 nan 8.250 nan 0.000 0.458 12 S N -0.376 115.181 115.700 -0.239 0.000 2.436 12 S HA 0.078 4.548 4.470 -0.001 0.000 0.228 12 S C 0.789 174.727 174.600 -1.103 0.000 1.014 12 S CA 0.609 58.544 58.200 -0.442 0.000 0.950 12 S CB 0.473 63.618 63.200 -0.092 0.000 0.784 12 S HN 0.598 nan 8.310 nan 0.000 0.504 13 G N 0.466 108.773 108.800 -0.822 0.000 2.356 13 G HA2 0.211 4.170 3.960 -0.001 0.000 0.300 13 G HA3 0.211 4.170 3.960 -0.001 0.000 0.300 13 G C -1.773 173.062 174.900 -0.110 0.000 1.331 13 G CA -1.083 43.531 45.100 -0.809 0.000 0.905 13 G HN 0.043 nan 8.290 nan 0.000 0.587 14 K N -0.839 119.653 120.400 0.153 0.000 2.202 14 K HA 0.606 4.926 4.320 -0.001 0.000 0.264 14 K C -0.665 176.273 176.600 0.564 0.000 1.010 14 K CA -0.407 56.046 56.287 0.277 0.000 0.940 14 K CB 1.797 34.420 32.500 0.206 0.000 0.983 14 K HN 0.298 nan 8.250 nan 0.000 0.475 15 V N 3.169 123.358 119.914 0.458 0.000 2.623 15 V HA 0.197 4.317 4.120 -0.001 0.000 0.304 15 V C -1.030 175.365 176.094 0.503 0.000 1.054 15 V CA -0.854 61.786 62.300 0.567 0.000 0.882 15 V CB 1.791 34.004 31.823 0.649 0.000 1.002 15 V HN 0.714 nan 8.190 nan 0.000 0.424 16 M N 5.191 125.033 119.600 0.403 0.000 2.063 16 M HA 0.727 5.206 4.480 -0.001 0.000 0.348 16 M C 0.330 176.725 176.300 0.157 0.000 1.180 16 M CA 0.264 55.711 55.300 0.246 0.000 1.059 16 M CB 0.739 33.415 32.600 0.127 0.000 1.544 16 M HN 0.695 nan 8.290 nan 0.000 0.447 17 G N 1.943 110.713 108.800 -0.049 0.000 2.606 17 G HA2 0.664 4.624 3.960 -0.001 0.000 0.262 17 G HA3 0.664 4.624 3.960 -0.001 0.000 0.262 17 G C -1.031 173.653 174.900 -0.360 0.000 1.394 17 G CA -0.342 44.464 45.100 -0.490 0.000 1.044 17 G HN 0.699 nan 8.290 nan 0.000 0.553 18 T N -1.743 112.557 114.554 -0.424 0.000 2.894 18 T HA 0.520 4.869 4.350 -0.001 0.000 0.309 18 T C -0.986 173.558 174.700 -0.260 0.000 1.208 18 T CA -0.722 61.216 62.100 -0.270 0.000 1.016 18 T CB 1.653 70.400 68.868 -0.203 0.000 1.192 18 T HN 0.561 nan 8.240 nan 0.000 0.491 19 R N 2.994 123.369 120.500 -0.210 0.000 2.202 19 R HA 0.620 4.960 4.340 -0.001 0.000 0.334 19 R C -0.232 175.984 176.300 -0.141 0.000 1.036 19 R CA -0.567 55.407 56.100 -0.211 0.000 0.878 19 R CB 0.396 30.506 30.300 -0.318 0.000 1.067 19 R HN 0.585 nan 8.270 nan 0.000 0.457 20 V N 2.580 122.449 119.914 -0.075 0.000 2.630 20 V HA 0.711 4.831 4.120 -0.001 0.000 0.305 20 V C -2.449 173.637 176.094 -0.014 0.000 1.046 20 V CA -2.486 59.792 62.300 -0.038 0.000 0.934 20 V CB 1.563 33.392 31.823 0.010 0.000 1.003 20 V HN 0.732 nan 8.190 nan 0.000 0.451 21 P HA 0.493 nan 4.420 nan 0.000 0.288 21 P C -1.108 176.110 177.300 -0.137 0.000 1.267 21 P CA -0.391 62.683 63.100 -0.044 0.000 0.815 21 P CB 1.790 33.466 31.700 -0.040 0.000 0.989 22 V N 4.400 124.183 119.914 -0.218 0.000 2.567 22 V HA 0.165 4.284 4.120 -0.001 0.000 0.298 22 V C 0.596 176.405 176.094 -0.475 0.000 1.047 22 V CA -0.892 61.165 62.300 -0.404 0.000 0.880 22 V CB 1.211 32.710 31.823 -0.541 0.000 1.009 22 V HN 0.496 nan 8.190 nan 0.000 0.429 23 L N 4.654 125.719 121.223 -0.263 0.000 3.895 23 L HA -0.266 4.073 4.340 -0.001 0.000 0.511 23 L C 1.129 177.878 176.870 -0.201 0.000 1.222 23 L CA 0.754 55.478 54.840 -0.192 0.000 0.739 23 L CB -1.362 40.573 42.059 -0.206 0.000 1.425 23 L HN 1.358 nan 8.230 nan 0.000 0.817 24 S N -2.522 113.100 115.700 -0.130 0.000 3.587 24 S HA -0.233 4.237 4.470 -0.001 0.000 0.337 24 S C 0.164 174.712 174.600 -0.086 0.000 1.119 24 S CA 1.283 59.434 58.200 -0.082 0.000 0.976 24 S CB -1.232 61.941 63.200 -0.045 0.000 0.922 24 S HN 1.026 nan 8.310 nan 0.000 0.503 25 S N 0.063 115.676 115.700 -0.145 0.000 2.880 25 S HA 0.788 5.258 4.470 -0.001 0.000 0.308 25 S C -1.059 173.531 174.600 -0.017 0.000 1.195 25 S CA -0.188 57.956 58.200 -0.092 0.000 0.866 25 S CB 1.510 64.684 63.200 -0.043 0.000 1.254 25 S HN 1.258 nan 8.310 nan 0.000 0.571 26 H N 0.016 119.096 119.070 0.017 0.000 2.996 26 H HA 0.774 5.329 4.556 -0.001 0.000 0.368 26 H C -1.081 174.308 175.328 0.102 0.000 1.185 26 H CA -1.011 55.048 56.048 0.019 0.000 1.160 26 H CB 1.249 31.019 29.762 0.014 0.000 1.820 26 H HN 0.795 nan 8.280 nan 0.000 0.547 27 I N -0.236 120.533 120.570 0.332 0.000 3.095 27 I HA 0.555 4.725 4.170 -0.001 0.000 0.310 27 I C -1.003 175.217 176.117 0.172 0.000 1.196 27 I CA -1.002 60.485 61.300 0.313 0.000 0.985 27 I CB 2.591 40.778 38.000 0.312 0.000 1.250 27 I HN 0.546 nan 8.210 nan 0.000 0.446 28 S N 2.300 118.105 115.700 0.174 0.000 2.610 28 S HA 0.820 5.290 4.470 -0.001 0.000 0.273 28 S C -0.140 174.485 174.600 0.042 0.000 1.274 28 S CA -0.488 57.731 58.200 0.031 0.000 1.023 28 S CB 1.450 64.711 63.200 0.102 0.000 0.962 28 S HN 0.963 nan 8.310 nan 0.000 0.523 29 A N 1.668 124.344 122.820 -0.240 0.000 2.429 29 A HA 0.667 4.987 4.320 -0.001 0.000 0.289 29 A C -1.365 175.947 177.584 -0.454 0.000 1.043 29 A CA -0.699 51.170 52.037 -0.280 0.000 0.722 29 A CB 0.423 19.256 19.000 -0.279 0.000 1.243 29 A HN 0.595 nan 8.150 nan 0.000 0.415 30 F N 3.121 122.975 119.950 -0.160 0.000 2.293 30 F HA 0.479 5.006 4.527 -0.001 0.000 0.370 30 F C 0.055 175.751 175.800 -0.174 0.000 1.090 30 F CA -0.513 57.454 58.000 -0.056 0.000 1.133 30 F CB 0.997 40.058 39.000 0.102 0.000 1.360 30 F HN 0.363 nan 8.300 nan 0.000 0.489 31 L N 2.361 123.547 121.223 -0.062 0.000 2.325 31 L HA 0.644 4.984 4.340 -0.001 0.000 0.279 31 L C 1.011 177.915 176.870 0.057 0.000 1.054 31 L CA -0.844 53.948 54.840 -0.079 0.000 0.804 31 L CB 1.425 43.363 42.059 -0.202 0.000 1.200 31 L HN 0.848 nan 8.230 nan 0.000 0.436 32 G N 3.197 112.049 108.800 0.086 0.000 2.225 32 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.264 32 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.264 32 G C -0.068 174.917 174.900 0.141 0.000 1.060 32 G CA -0.393 44.757 45.100 0.083 0.000 0.833 32 G HN 0.488 nan 8.290 nan 0.000 0.498 33 I N 2.098 122.686 120.570 0.030 0.000 2.471 33 I HA 0.227 4.396 4.170 -0.001 0.000 0.286 33 I C -1.369 174.602 176.117 -0.244 0.000 1.079 33 I CA -1.987 59.171 61.300 -0.236 0.000 1.398 33 I CB 1.033 38.838 38.000 -0.325 0.000 1.403 33 I HN 0.000 nan 8.210 nan 0.000 0.530 34 P HA 0.087 nan 4.420 nan 0.000 0.281 34 P C -0.443 176.507 177.300 -0.584 0.000 1.252 34 P CA -0.104 62.595 63.100 -0.669 0.000 0.778 34 P CB 0.688 31.948 31.700 -0.733 0.000 0.895 35 F N 1.102 120.735 119.950 -0.529 0.000 2.735 35 F HA 0.790 5.317 4.527 -0.001 0.000 0.308 35 F C -0.270 175.434 175.800 -0.160 0.000 1.112 35 F CA -1.223 56.538 58.000 -0.399 0.000 1.235 35 F CB 0.052 38.795 39.000 -0.428 0.000 1.027 35 F HN 0.421 nan 8.300 nan 0.000 0.528 36 A N -0.360 122.176 122.820 -0.474 0.000 2.597 36 A HA 0.548 4.868 4.320 -0.001 0.000 0.292 36 A C -1.169 176.234 177.584 -0.302 0.000 1.057 36 A CA -0.853 51.018 52.037 -0.277 0.000 0.674 36 A CB 0.852 19.672 19.000 -0.300 0.000 1.278 36 A HN 0.051 nan 8.150 nan 0.000 0.416 37 E N 0.987 121.097 120.200 -0.150 0.000 2.360 37 E HA 0.319 4.668 4.350 -0.001 0.000 0.269 37 E C -2.374 174.131 176.600 -0.158 0.000 1.022 37 E CA -1.530 54.801 56.400 -0.115 0.000 0.887 37 E CB 0.234 29.910 29.700 -0.039 0.000 0.990 37 E HN 0.251 nan 8.360 nan 0.000 0.426 38 P HA -0.023 nan 4.420 nan 0.000 0.257 38 P C -2.099 175.139 177.300 -0.104 0.000 1.189 38 P CA -0.562 62.459 63.100 -0.130 0.000 0.780 38 P CB -0.048 31.616 31.700 -0.061 0.000 0.772 39 P HA -0.047 nan 4.420 nan 0.000 0.262 39 P C 0.107 177.340 177.300 -0.111 0.000 1.647 39 P CA 0.287 63.325 63.100 -0.103 0.000 0.865 39 P CB -0.261 31.376 31.700 -0.104 0.000 1.834 40 V N -3.451 116.408 119.914 -0.092 0.000 3.336 40 V HA 0.851 4.970 4.120 -0.001 0.000 0.314 40 V C 1.005 177.057 176.094 -0.069 0.000 1.088 40 V CA 0.155 62.402 62.300 -0.090 0.000 1.033 40 V CB 0.346 32.128 31.823 -0.069 0.000 1.181 40 V HN 0.499 nan 8.190 nan 0.000 0.449 41 G N 1.315 110.078 108.800 -0.062 0.000 2.582 41 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.288 41 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.288 41 G C 0.513 175.390 174.900 -0.039 0.000 1.247 41 G CA 0.713 45.790 45.100 -0.039 0.000 0.972 41 G HN 1.076 nan 8.290 nan 0.000 0.557 42 N N 0.422 119.117 118.700 -0.007 0.000 2.635 42 N HA 0.017 4.756 4.740 -0.001 0.000 0.191 42 N C 2.110 177.627 175.510 0.012 0.000 1.155 42 N CA 1.035 54.095 53.050 0.017 0.000 0.927 42 N CB -0.171 38.341 38.487 0.041 0.000 0.976 42 N HN 0.520 nan 8.380 nan 0.000 0.448 43 M N -0.139 119.449 119.600 -0.019 0.000 2.561 43 M HA 0.034 4.513 4.480 -0.001 0.000 0.238 43 M C 0.716 176.975 176.300 -0.067 0.000 1.131 43 M CA -0.065 55.221 55.300 -0.023 0.000 1.046 43 M CB 0.233 32.815 32.600 -0.030 0.000 1.532 43 M HN -0.026 nan 8.290 nan 0.000 0.497 44 R N 0.552 120.961 120.500 -0.151 0.000 2.640 44 R HA -0.076 4.264 4.340 -0.001 0.000 0.270 44 R C -0.178 175.915 176.300 -0.344 0.000 1.024 44 R CA 0.724 56.583 56.100 -0.402 0.000 1.085 44 R CB 0.242 30.159 30.300 -0.638 0.000 0.963 44 R HN 0.234 nan 8.270 nan 0.000 0.426 45 F N -0.942 119.016 119.950 0.013 0.000 2.635 45 F HA -0.331 4.196 4.527 -0.001 0.000 0.502 45 F C 0.681 176.467 175.800 -0.022 0.000 0.538 45 F CA 1.143 59.128 58.000 -0.024 0.000 1.064 45 F CB -1.378 37.599 39.000 -0.038 0.000 1.751 45 F HN 0.619 nan 8.300 nan 0.000 0.268 46 R N 1.189 121.759 120.500 0.116 0.000 2.637 46 R HA 0.485 4.824 4.340 -0.001 0.000 0.269 46 R C 0.622 176.947 176.300 0.042 0.000 1.089 46 R CA -0.764 55.381 56.100 0.075 0.000 1.177 46 R CB 0.462 30.793 30.300 0.051 0.000 1.091 46 R HN 0.127 nan 8.270 nan 0.000 0.540 47 R N 1.946 122.471 120.500 0.042 0.000 2.643 47 R HA 0.084 4.424 4.340 -0.001 0.000 0.270 47 R C -1.909 174.411 176.300 0.033 0.000 1.061 47 R CA -1.111 55.012 56.100 0.038 0.000 1.107 47 R CB -0.053 30.276 30.300 0.049 0.000 0.999 47 R HN 0.417 nan 8.270 nan 0.000 0.460 48 P HA -0.035 nan 4.420 nan 0.000 0.268 48 P C -1.040 176.287 177.300 0.046 0.000 1.205 48 P CA 0.158 63.282 63.100 0.040 0.000 0.771 48 P CB 0.783 32.534 31.700 0.086 0.000 0.858 49 E N 3.985 124.199 120.200 0.023 0.000 2.191 49 E HA 0.403 4.752 4.350 -0.001 0.000 0.274 49 E C -2.460 174.164 176.600 0.040 0.000 0.948 49 E CA -3.018 53.402 56.400 0.032 0.000 0.802 49 E CB 1.019 30.729 29.700 0.018 0.000 1.137 49 E HN 0.238 nan 8.360 nan 0.000 0.397 50 P HA -0.041 nan 4.420 nan 0.000 0.263 50 P C -1.265 176.083 177.300 0.081 0.000 1.195 50 P CA -0.031 63.128 63.100 0.099 0.000 0.762 50 P CB 0.325 32.085 31.700 0.100 0.000 0.799 51 K N 5.028 125.482 120.400 0.089 0.000 2.395 51 K HA -0.002 4.318 4.320 -0.001 0.000 0.283 51 K C -0.028 176.664 176.600 0.153 0.000 1.068 51 K CA 0.234 56.571 56.287 0.084 0.000 1.039 51 K CB -0.262 32.274 32.500 0.059 0.000 0.924 51 K HN 0.147 nan 8.250 nan 0.000 0.468 52 K N 5.854 126.334 120.400 0.133 0.000 2.511 52 K HA 0.033 4.353 4.320 -0.001 0.000 0.280 52 K C -2.234 174.481 176.600 0.191 0.000 1.008 52 K CA -1.535 54.832 56.287 0.133 0.000 1.050 52 K CB -0.305 32.267 32.500 0.120 0.000 0.889 52 K HN 0.541 nan 8.250 nan 0.000 0.484 53 P HA -0.005 nan 4.420 nan 0.000 0.269 53 P C -0.798 176.538 177.300 0.061 0.000 1.217 53 P CA 0.070 63.113 63.100 -0.094 0.000 0.783 53 P CB 0.285 31.887 31.700 -0.163 0.000 0.898 54 W N 0.363 121.727 121.300 0.106 0.000 2.950 54 W HA 0.697 5.357 4.660 -0.001 0.000 0.340 54 W C -1.135 175.456 176.519 0.121 0.000 1.139 54 W CA -0.934 56.492 57.345 0.135 0.000 1.188 54 W CB 0.269 29.865 29.460 0.227 0.000 1.426 54 W HN 0.371 nan 8.180 nan 0.000 0.531 55 S N 1.731 117.594 115.700 0.272 0.000 2.638 55 S HA 0.942 5.412 4.470 -0.001 0.000 0.298 55 S C 0.141 174.940 174.600 0.331 0.000 1.111 55 S CA -0.202 58.107 58.200 0.181 0.000 1.027 55 S CB 1.205 64.463 63.200 0.097 0.000 1.064 55 S HN 2.270 nan 8.310 nan 0.000 0.525 56 G N -0.307 108.647 108.800 0.255 0.000 2.663 56 G HA2 0.042 4.001 3.960 -0.001 0.000 0.686 56 G HA3 0.042 4.001 3.960 -0.001 0.000 0.686 56 G C -1.029 174.075 174.900 0.341 0.000 1.288 56 G CA -0.565 44.678 45.100 0.239 0.000 0.836 56 G HN 1.463 nan 8.290 nan 0.000 0.584 57 V N 1.568 121.626 119.914 0.240 0.000 2.465 57 V HA 0.488 4.608 4.120 -0.001 0.000 0.279 57 V C 0.587 176.828 176.094 0.246 0.000 1.045 57 V CA -0.517 61.951 62.300 0.279 0.000 0.938 57 V CB 1.672 33.599 31.823 0.174 0.000 0.986 57 V HN 0.703 nan 8.190 nan 0.000 0.467 58 W N 5.173 126.567 121.300 0.157 0.000 2.322 58 W HA 0.264 4.924 4.660 -0.001 0.000 0.307 58 W C 0.201 176.715 176.519 -0.009 0.000 1.220 58 W CA -0.693 56.614 57.345 -0.063 0.000 1.210 58 W CB 0.840 30.142 29.460 -0.263 0.000 1.223 58 W HN 0.664 nan 8.180 nan 0.000 0.511 59 N N 4.614 123.067 118.700 -0.412 0.000 2.400 59 N HA 0.204 4.944 4.740 -0.001 0.000 0.267 59 N C -0.364 175.120 175.510 -0.043 0.000 1.208 59 N CA 0.281 53.207 53.050 -0.207 0.000 0.951 59 N CB 0.586 38.897 38.487 -0.294 0.000 1.227 59 N HN 0.346 nan 8.380 nan 0.000 0.488 60 A N 2.622 125.560 122.820 0.196 0.000 3.219 60 A HA 0.241 4.561 4.320 -0.001 0.000 0.314 60 A C 0.938 178.547 177.584 0.041 0.000 1.081 60 A CA -0.402 51.785 52.037 0.250 0.000 0.995 60 A CB -0.439 18.810 19.000 0.416 0.000 1.067 60 A HN 0.620 nan 8.150 nan 0.000 0.533 61 S N -0.996 114.677 115.700 -0.044 0.000 2.512 61 S HA 0.189 4.659 4.470 -0.001 0.000 0.216 61 S C 0.758 175.270 174.600 -0.147 0.000 1.006 61 S CA 0.644 58.772 58.200 -0.120 0.000 0.915 61 S CB -0.164 62.967 63.200 -0.115 0.000 0.824 61 S HN 0.909 nan 8.310 nan 0.000 0.497 62 T N -1.042 113.443 114.554 -0.116 0.000 2.896 62 T HA 0.644 4.994 4.350 -0.001 0.000 0.297 62 T C -0.904 173.769 174.700 -0.045 0.000 1.108 62 T CA -0.743 61.282 62.100 -0.125 0.000 1.004 62 T CB 0.738 69.551 68.868 -0.091 0.000 1.159 62 T HN 0.044 nan 8.240 nan 0.000 0.499 63 Y N 2.725 122.989 120.300 -0.061 0.000 2.550 63 Y HA 0.333 4.882 4.550 -0.001 0.000 0.343 63 Y C -1.343 174.492 175.900 -0.108 0.000 1.245 63 Y CA -1.371 56.694 58.100 -0.058 0.000 1.462 63 Y CB 0.048 38.498 38.460 -0.018 0.000 1.340 63 Y HN 0.566 nan 8.280 nan 0.000 0.604 64 P HA 0.156 nan 4.420 nan 0.000 0.297 64 P C -0.790 176.438 177.300 -0.120 0.000 1.307 64 P CA -0.576 62.408 63.100 -0.194 0.000 0.773 64 P CB 1.090 32.561 31.700 -0.382 0.000 1.265 65 N N 0.005 118.617 118.700 -0.147 0.000 2.424 65 N HA 0.152 4.892 4.740 -0.001 0.000 0.257 65 N C -0.063 175.423 175.510 -0.041 0.000 1.250 65 N CA -0.008 52.997 53.050 -0.076 0.000 0.946 65 N CB 0.044 38.494 38.487 -0.062 0.000 1.175 65 N HN 0.402 nan 8.380 nan 0.000 0.477 66 N N -0.493 118.175 118.700 -0.054 0.000 2.456 66 N HA 0.280 5.019 4.740 -0.001 0.000 0.296 66 N C -0.219 175.258 175.510 -0.055 0.000 1.102 66 N CA -0.713 52.302 53.050 -0.059 0.000 0.924 66 N CB 1.165 39.597 38.487 -0.093 0.000 1.186 66 N HN 0.404 nan 8.380 nan 0.000 0.492 67 c N 1.169 119.740 118.600 -0.047 0.000 2.775 67 c HA -0.020 4.550 4.570 -0.001 0.000 0.391 67 c C 0.854 174.882 174.090 -0.103 0.000 1.295 67 c CA -0.397 55.886 56.329 -0.077 0.000 2.119 67 c CB -0.215 42.271 42.510 -0.040 0.000 2.705 67 c HN 0.546 nan 8.230 nan 0.000 0.710 68 Q N 1.957 121.622 119.800 -0.225 0.000 2.337 68 Q HA 0.300 4.640 4.340 -0.001 0.000 0.270 68 Q C -0.158 175.884 176.000 0.071 0.000 1.002 68 Q CA 0.826 56.501 55.803 -0.214 0.000 0.888 68 Q CB 0.671 28.960 28.738 -0.749 0.000 1.222 68 Q HN 0.879 nan 8.270 nan 0.000 0.400 69 Q N 0.902 120.806 119.800 0.173 0.000 2.594 69 Q HA 0.247 4.586 4.340 -0.001 0.000 0.278 69 Q C -1.409 174.803 176.000 0.353 0.000 0.961 69 Q CA -0.974 55.014 55.803 0.308 0.000 0.844 69 Q CB 0.564 29.430 28.738 0.214 0.000 1.475 69 Q HN 0.514 nan 8.270 nan 0.000 0.389 70 Y N 1.925 122.449 120.300 0.373 0.000 2.605 70 Y HA 0.328 4.877 4.550 -0.001 0.000 0.336 70 Y C -0.789 175.316 175.900 0.342 0.000 1.111 70 Y CA 0.013 58.349 58.100 0.393 0.000 1.422 70 Y CB 0.621 39.421 38.460 0.566 0.000 1.193 70 Y HN 0.464 nan 8.280 nan 0.000 0.526 71 V N 6.203 126.002 119.914 -0.191 0.000 2.607 71 V HA 0.049 4.169 4.120 -0.001 0.000 0.289 71 V C -0.096 175.791 176.094 -0.344 0.000 1.053 71 V CA -0.723 61.490 62.300 -0.145 0.000 0.996 71 V CB 1.351 33.123 31.823 -0.084 0.000 0.995 71 V HN 0.740 nan 8.190 nan 0.000 0.476 72 D N 2.757 123.158 120.400 0.003 0.000 2.316 72 D HA 0.189 4.829 4.640 -0.001 0.000 0.245 72 D C 0.487 176.839 176.300 0.086 0.000 1.171 72 D CA -0.042 54.037 54.000 0.132 0.000 0.856 72 D CB 0.832 41.866 40.800 0.391 0.000 1.090 72 D HN 0.630 nan 8.370 nan 0.000 0.476 73 E N 3.022 123.227 120.200 0.009 0.000 2.651 73 E HA -0.009 4.341 4.350 -0.001 0.000 0.208 73 E C 0.934 177.484 176.600 -0.084 0.000 0.997 73 E CA -0.212 56.180 56.400 -0.013 0.000 1.020 73 E CB 0.695 30.365 29.700 -0.052 0.000 1.052 73 E HN 0.533 nan 8.360 nan 0.000 0.465 74 Q N -0.377 119.328 119.800 -0.157 0.000 2.124 74 Q HA -0.061 4.279 4.340 -0.001 0.000 0.202 74 Q C 0.034 175.500 176.000 -0.890 0.000 0.977 74 Q CA 1.125 56.547 55.803 -0.637 0.000 0.850 74 Q CB 0.168 28.276 28.738 -1.051 0.000 0.901 74 Q HN 0.216 nan 8.270 nan 0.000 0.429 75 F N -0.021 119.963 119.950 0.056 0.000 2.710 75 F HA 0.356 4.883 4.527 -0.001 0.000 0.345 75 F C -2.203 173.660 175.800 0.105 0.000 1.362 75 F CA -2.769 55.250 58.000 0.032 0.000 1.175 75 F CB 1.017 40.008 39.000 -0.015 0.000 1.561 75 F HN -0.197 nan 8.300 nan 0.000 0.593 76 P HA 0.115 nan 4.420 nan 0.000 0.260 76 P C 1.058 178.441 177.300 0.139 0.000 1.172 76 P CA 1.596 64.767 63.100 0.118 0.000 0.760 76 P CB 0.653 32.387 31.700 0.056 0.000 0.773 77 G N 3.103 111.974 108.800 0.119 0.000 2.284 77 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.247 77 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.247 77 G C 0.154 175.124 174.900 0.117 0.000 1.012 77 G CA -0.334 44.819 45.100 0.089 0.000 0.618 77 G HN 0.548 nan 8.290 nan 0.000 0.521 78 F N 3.637 123.592 119.950 0.008 0.000 2.557 78 F HA 0.442 4.969 4.527 -0.001 0.000 0.384 78 F C 1.770 177.515 175.800 -0.091 0.000 1.057 78 F CA 0.266 58.219 58.000 -0.079 0.000 1.169 78 F CB 0.931 39.870 39.000 -0.101 0.000 1.070 78 F HN 0.315 nan 8.300 nan 0.000 0.554 79 S N 3.652 118.979 115.700 -0.621 0.000 2.368 79 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 79 S C 2.272 176.451 174.600 -0.701 0.000 1.029 79 S CA 0.822 58.697 58.200 -0.543 0.000 0.988 79 S CB -1.290 61.644 63.200 -0.443 0.000 0.838 79 S HN 0.812 nan 8.310 nan 0.000 0.462 80 G N 1.500 109.413 108.800 -1.479 0.000 2.499 80 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.221 80 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.221 80 G C 1.654 176.642 174.900 0.148 0.000 1.109 80 G CA 1.385 45.887 45.100 -0.996 0.000 0.749 80 G HN 0.834 nan 8.290 nan 0.000 0.568 81 S N -0.531 115.299 115.700 0.217 0.000 2.527 81 S HA 0.131 4.601 4.470 -0.001 0.000 0.227 81 S C 1.720 176.671 174.600 0.585 0.000 1.059 81 S CA 0.522 59.259 58.200 0.894 0.000 0.919 81 S CB 0.033 63.902 63.200 1.114 0.000 0.805 81 S HN 0.480 nan 8.310 nan 0.000 0.500 82 E N 2.066 122.416 120.200 0.250 0.000 2.435 82 E HA 0.063 4.412 4.350 -0.001 0.000 0.195 82 E C 1.837 178.412 176.600 -0.041 0.000 1.029 82 E CA 0.711 57.186 56.400 0.125 0.000 0.865 82 E CB -0.430 29.304 29.700 0.056 0.000 0.833 82 E HN 0.834 nan 8.360 nan 0.000 0.510 83 M N -1.652 117.819 119.600 -0.215 0.000 2.632 83 M HA -0.025 4.454 4.480 -0.001 0.000 0.256 83 M C 0.820 176.698 176.300 -0.703 0.000 1.080 83 M CA 1.337 56.324 55.300 -0.523 0.000 1.084 83 M CB -0.337 31.820 32.600 -0.738 0.000 1.439 83 M HN 0.035 nan 8.290 nan 0.000 0.509 84 W N 0.110 121.355 121.300 -0.092 0.000 2.915 84 W HA 0.325 4.984 4.660 -0.001 0.000 0.276 84 W C 0.564 177.032 176.519 -0.086 0.000 1.215 84 W CA -0.807 56.462 57.345 -0.127 0.000 1.514 84 W CB -0.153 29.255 29.460 -0.086 0.000 1.017 84 W HN 0.056 nan 8.180 nan 0.000 0.598 85 N N 1.861 120.647 118.700 0.143 0.000 2.415 85 N HA 0.081 4.821 4.740 -0.001 0.000 0.248 85 N C -2.451 173.057 175.510 -0.003 0.000 1.271 85 N CA -0.896 52.204 53.050 0.084 0.000 0.913 85 N CB -0.257 38.275 38.487 0.075 0.000 1.129 85 N HN -0.329 nan 8.380 nan 0.000 0.444 86 P HA 0.092 nan 4.420 nan 0.000 0.268 86 P C -0.012 177.254 177.300 -0.057 0.000 1.204 86 P CA -0.075 62.991 63.100 -0.056 0.000 0.768 86 P CB 0.290 31.963 31.700 -0.045 0.000 0.842 87 N N 1.877 120.531 118.700 -0.077 0.000 2.275 87 N HA 0.109 4.848 4.740 -0.001 0.000 0.236 87 N C -0.030 175.453 175.510 -0.045 0.000 1.154 87 N CA -0.122 52.892 53.050 -0.061 0.000 0.866 87 N CB 0.278 38.723 38.487 -0.070 0.000 1.093 87 N HN 0.138 nan 8.380 nan 0.000 0.515 88 R N 0.023 120.491 120.500 -0.053 0.000 2.771 88 R HA 0.285 4.624 4.340 -0.001 0.000 0.274 88 R C -0.820 175.454 176.300 -0.044 0.000 0.987 88 R CA -0.734 55.340 56.100 -0.044 0.000 0.908 88 R CB 1.388 31.652 30.300 -0.061 0.000 1.213 88 R HN 0.095 nan 8.270 nan 0.000 0.468 89 E N 1.865 122.042 120.200 -0.040 0.000 2.585 89 E HA -0.038 4.312 4.350 -0.001 0.000 0.252 89 E C 0.043 176.614 176.600 -0.048 0.000 0.981 89 E CA 0.597 56.973 56.400 -0.040 0.000 0.943 89 E CB 0.340 30.016 29.700 -0.041 0.000 0.923 89 E HN 0.273 nan 8.360 nan 0.000 0.486 90 M N 2.308 121.880 119.600 -0.046 0.000 2.232 90 M HA 0.135 4.614 4.480 -0.001 0.000 0.321 90 M C 0.026 176.281 176.300 -0.074 0.000 1.101 90 M CA 0.621 55.885 55.300 -0.059 0.000 1.181 90 M CB 0.798 33.369 32.600 -0.049 0.000 1.432 90 M HN 0.476 nan 8.290 nan 0.000 0.457 91 S N 0.279 115.919 115.700 -0.101 0.000 2.578 91 S HA 0.152 4.622 4.470 -0.001 0.000 0.285 91 S C -0.009 174.495 174.600 -0.160 0.000 1.126 91 S CA -0.746 57.386 58.200 -0.112 0.000 0.878 91 S CB 1.135 64.296 63.200 -0.065 0.000 1.091 91 S HN 0.846 nan 8.310 nan 0.000 0.450 92 E N 1.274 121.345 120.200 -0.215 0.000 2.204 92 E HA -0.120 4.230 4.350 -0.001 0.000 0.195 92 E C -0.059 176.452 176.600 -0.149 0.000 0.990 92 E CA 0.811 57.050 56.400 -0.268 0.000 0.821 92 E CB 0.076 29.608 29.700 -0.280 0.000 0.750 92 E HN 0.582 nan 8.360 nan 0.000 0.477 93 D N 0.106 120.460 120.400 -0.077 0.000 2.435 93 D HA -0.015 4.624 4.640 -0.001 0.000 0.230 93 D C 0.129 176.501 176.300 0.121 0.000 1.215 93 D CA -0.182 53.820 54.000 0.003 0.000 0.947 93 D CB 0.014 40.842 40.800 0.047 0.000 1.048 93 D HN 0.149 nan 8.370 nan 0.000 0.512 94 c N 2.239 120.887 118.600 0.079 0.000 3.911 94 c HA 0.359 4.928 4.570 -0.001 0.000 0.318 94 c C 0.845 175.025 174.090 0.150 0.000 1.643 94 c CA -0.643 55.802 56.329 0.193 0.000 1.845 94 c CB -1.228 41.312 42.510 0.050 0.000 2.981 94 c HN 0.414 nan 8.230 nan 0.000 0.656 95 L N 2.670 123.720 121.223 -0.290 0.000 2.623 95 L HA 0.329 4.669 4.340 -0.001 0.000 0.281 95 L C -0.759 175.349 176.870 -1.270 0.000 1.150 95 L CA 0.904 55.340 54.840 -0.673 0.000 0.965 95 L CB -0.761 40.801 42.059 -0.829 0.000 1.303 95 L HN 0.385 nan 8.230 nan 0.000 0.467 96 Y N 2.687 122.824 120.300 -0.271 0.000 2.655 96 Y HA 0.672 5.222 4.550 -0.001 0.000 0.336 96 Y C -0.323 175.731 175.900 0.257 0.000 1.154 96 Y CA -1.314 56.716 58.100 -0.117 0.000 1.055 96 Y CB 1.807 40.218 38.460 -0.082 0.000 1.295 96 Y HN 0.261 nan 8.280 nan 0.000 0.465 97 L N -0.178 121.232 121.223 0.312 0.000 2.376 97 L HA 0.793 5.133 4.340 -0.001 0.000 0.258 97 L C -1.538 175.374 176.870 0.070 0.000 1.013 97 L CA -0.992 53.962 54.840 0.190 0.000 0.822 97 L CB 2.157 44.250 42.059 0.057 0.000 1.388 97 L HN 0.490 nan 8.230 nan 0.000 0.413 98 N N 2.023 120.757 118.700 0.057 0.000 2.284 98 N HA 0.717 5.457 4.740 -0.001 0.000 0.300 98 N C -1.345 174.077 175.510 -0.147 0.000 1.047 98 N CA -0.206 52.790 53.050 -0.091 0.000 0.821 98 N CB 2.687 41.095 38.487 -0.133 0.000 1.337 98 N HN 0.682 nan 8.380 nan 0.000 0.482 99 I N 0.540 120.965 120.570 -0.242 0.000 2.466 99 I HA 0.368 4.537 4.170 -0.001 0.000 0.289 99 I C -0.619 175.453 176.117 -0.075 0.000 1.026 99 I CA -0.748 60.486 61.300 -0.110 0.000 1.078 99 I CB 2.063 39.904 38.000 -0.265 0.000 1.249 99 I HN 0.225 nan 8.210 nan 0.000 0.429 100 W N 5.812 127.231 121.300 0.198 0.000 2.390 100 W HA 0.569 5.229 4.660 -0.001 0.000 0.312 100 W C -0.835 175.820 176.519 0.227 0.000 1.123 100 W CA -0.582 56.885 57.345 0.203 0.000 1.202 100 W CB 2.047 31.600 29.460 0.155 0.000 1.251 100 W HN 0.103 nan 8.180 nan 0.000 0.511 101 V N 5.263 125.452 119.914 0.459 0.000 2.487 101 V HA 0.263 4.383 4.120 -0.001 0.000 0.298 101 V C -2.013 174.282 176.094 0.335 0.000 1.028 101 V CA -2.374 60.167 62.300 0.402 0.000 0.860 101 V CB 1.858 33.994 31.823 0.521 0.000 0.991 101 V HN 0.267 nan 8.190 nan 0.000 0.427 102 P HA 0.128 nan 4.420 nan 0.000 0.270 102 P C -0.551 176.881 177.300 0.220 0.000 1.227 102 P CA 0.202 63.427 63.100 0.210 0.000 0.788 102 P CB 0.517 32.295 31.700 0.131 0.000 0.926 103 S N 0.834 116.659 115.700 0.207 0.000 2.677 103 S HA 0.495 4.964 4.470 -0.001 0.000 0.283 103 S C -2.695 171.988 174.600 0.139 0.000 1.159 103 S CA -1.457 56.872 58.200 0.216 0.000 1.001 103 S CB 0.309 63.715 63.200 0.343 0.000 1.032 103 S HN 0.236 nan 8.310 nan 0.000 0.487 104 P HA 0.096 nan 4.420 nan 0.000 0.267 104 P C -0.397 176.979 177.300 0.127 0.000 1.200 104 P CA -0.396 62.776 63.100 0.120 0.000 0.772 104 P CB 0.357 32.106 31.700 0.083 0.000 0.855 105 R N 2.828 123.414 120.500 0.144 0.000 2.538 105 R HA 0.114 4.453 4.340 -0.001 0.000 0.282 105 R C -1.946 174.421 176.300 0.111 0.000 1.009 105 R CA -0.873 55.320 56.100 0.154 0.000 1.063 105 R CB -0.337 30.059 30.300 0.160 0.000 0.945 105 R HN 0.367 nan 8.270 nan 0.000 0.414 106 P HA 0.119 nan 4.420 nan 0.000 0.286 106 P C -0.233 177.103 177.300 0.060 0.000 1.293 106 P CA -0.379 62.766 63.100 0.075 0.000 0.770 106 P CB 0.667 32.413 31.700 0.076 0.000 1.206 107 K N -1.356 119.067 120.400 0.038 0.000 2.367 107 K HA 0.264 4.584 4.320 -0.001 0.000 0.198 107 K C 0.145 176.749 176.600 0.006 0.000 1.132 107 K CA 0.670 56.970 56.287 0.022 0.000 0.941 107 K CB 0.178 32.687 32.500 0.014 0.000 1.052 107 K HN 0.212 nan 8.250 nan 0.000 0.507 108 S N 1.414 117.119 115.700 0.008 0.000 2.612 108 S HA 0.202 4.671 4.470 -0.001 0.000 0.167 108 S C -0.996 173.605 174.600 0.003 0.000 0.961 108 S CA -0.396 57.801 58.200 -0.006 0.000 1.085 108 S CB 0.385 63.571 63.200 -0.023 0.000 1.477 108 S HN 0.171 nan 8.310 nan 0.000 0.413 109 T N 1.382 115.947 114.554 0.018 0.000 2.937 109 T HA 0.551 4.901 4.350 -0.001 0.000 0.283 109 T C 0.248 174.958 174.700 0.016 0.000 1.012 109 T CA -0.846 61.266 62.100 0.020 0.000 0.997 109 T CB 0.965 69.856 68.868 0.038 0.000 1.136 109 T HN 0.367 nan 8.240 nan 0.000 0.551 110 T N 1.595 116.153 114.554 0.008 0.000 2.930 110 T HA 0.414 4.763 4.350 -0.001 0.000 0.306 110 T C -0.024 174.693 174.700 0.028 0.000 1.045 110 T CA -0.503 61.597 62.100 -0.000 0.000 1.134 110 T CB 0.263 69.118 68.868 -0.023 0.000 0.961 110 T HN 0.413 nan 8.240 nan 0.000 0.545 111 V N 3.880 123.817 119.914 0.038 0.000 2.628 111 V HA 0.524 4.644 4.120 -0.001 0.000 0.306 111 V C -0.141 176.010 176.094 0.094 0.000 1.045 111 V CA -0.887 61.459 62.300 0.078 0.000 0.905 111 V CB 1.797 33.672 31.823 0.087 0.000 0.997 111 V HN 0.853 nan 8.190 nan 0.000 0.436 112 M N 3.999 123.687 119.600 0.146 0.000 2.093 112 M HA 0.495 4.975 4.480 -0.001 0.000 0.297 112 M C -1.245 175.310 176.300 0.426 0.000 0.938 112 M CA -0.515 54.913 55.300 0.214 0.000 0.920 112 M CB 2.054 34.684 32.600 0.050 0.000 1.517 112 M HN 0.384 nan 8.290 nan 0.000 0.427 113 V N 3.593 123.762 119.914 0.426 0.000 2.383 113 V HA 0.332 4.451 4.120 -0.001 0.000 0.275 113 V C -0.710 175.635 176.094 0.419 0.000 1.036 113 V CA -0.501 62.018 62.300 0.365 0.000 0.889 113 V CB 1.278 33.195 31.823 0.157 0.000 0.985 113 V HN 0.835 nan 8.190 nan 0.000 0.459 114 W N 7.262 128.622 121.300 0.101 0.000 2.391 114 W HA 0.631 5.291 4.660 -0.001 0.000 0.311 114 W C -1.399 174.977 176.519 -0.239 0.000 1.087 114 W CA -0.936 56.218 57.345 -0.318 0.000 1.209 114 W CB 1.331 30.630 29.460 -0.268 0.000 1.273 114 W HN 0.433 nan 8.180 nan 0.000 0.482 115 I N 9.143 129.056 120.570 -1.096 0.000 2.354 115 I HA 0.090 4.260 4.170 -0.001 0.000 0.286 115 I C -0.110 175.197 176.117 -1.350 0.000 1.007 115 I CA -1.134 59.598 61.300 -0.946 0.000 1.167 115 I CB 0.619 38.255 38.000 -0.606 0.000 1.320 115 I HN 0.303 nan 8.210 nan 0.000 0.458 116 Y N 4.646 124.439 120.300 -0.846 0.000 2.385 116 Y HA 0.666 5.216 4.550 -0.001 0.000 0.346 116 Y C 0.751 176.456 175.900 -0.324 0.000 1.270 116 Y CA -0.944 56.761 58.100 -0.659 0.000 1.472 116 Y CB -0.177 38.072 38.460 -0.352 0.000 1.354 116 Y HN 0.533 nan 8.280 nan 0.000 0.611 117 G N -1.146 107.695 108.800 0.069 0.000 2.583 117 G HA2 0.499 4.459 3.960 -0.001 0.000 0.280 117 G HA3 0.499 4.459 3.960 -0.001 0.000 0.280 117 G C 0.208 175.076 174.900 -0.054 0.000 1.376 117 G CA -0.935 44.135 45.100 -0.050 0.000 1.043 117 G HN 1.715 nan 8.290 nan 0.000 0.538 118 G N -2.767 105.850 108.800 -0.305 0.000 2.223 118 G HA2 0.411 4.371 3.960 -0.001 0.000 0.200 118 G HA3 0.411 4.371 3.960 -0.001 0.000 0.200 118 G C 1.008 175.404 174.900 -0.840 0.000 1.061 118 G CA 0.692 45.487 45.100 -0.509 0.000 0.790 118 G HN 2.292 nan 8.290 nan 0.000 0.498 119 G N -0.329 107.963 108.800 -0.846 0.000 2.233 119 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.270 119 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.270 119 G C 0.894 175.577 174.900 -0.361 0.000 1.011 119 G CA 0.699 45.080 45.100 -1.198 0.000 0.762 119 G HN 1.746 nan 8.290 nan 0.000 0.511 120 F N -3.089 116.787 119.950 -0.123 0.000 3.006 120 F HA -0.305 4.222 4.527 -0.001 0.000 0.289 120 F C 1.388 177.327 175.800 0.232 0.000 0.772 120 F CA 2.155 60.218 58.000 0.105 0.000 1.162 120 F CB -2.075 36.878 39.000 -0.077 0.000 1.382 120 F HN 0.987 nan 8.300 nan 0.000 0.406 121 Y N -1.560 118.851 120.300 0.185 0.000 2.563 121 Y HA 0.639 5.189 4.550 -0.001 0.000 0.250 121 Y C 0.390 176.414 175.900 0.207 0.000 1.126 121 Y CA 0.116 58.343 58.100 0.212 0.000 1.231 121 Y CB 0.021 38.537 38.460 0.094 0.000 1.288 121 Y HN 0.109 nan 8.280 nan 0.000 0.537 122 S N -0.438 115.088 115.700 -0.289 0.000 2.588 122 S HA 0.881 5.351 4.470 -0.001 0.000 0.269 122 S C -0.391 174.056 174.600 -0.255 0.000 1.157 122 S CA -0.440 57.625 58.200 -0.225 0.000 0.824 122 S CB 1.474 64.462 63.200 -0.353 0.000 1.126 122 S HN 1.341 nan 8.310 nan 0.000 0.464 123 G N 0.248 108.857 108.800 -0.317 0.000 2.397 123 G HA2 0.448 4.407 3.960 -0.001 0.000 0.453 123 G HA3 0.448 4.407 3.960 -0.001 0.000 0.453 123 G C -1.185 172.986 174.900 -1.213 0.000 1.579 123 G CA -0.370 44.309 45.100 -0.701 0.000 0.906 123 G HN 1.314 nan 8.290 nan 0.000 0.675 124 S N -0.081 115.019 115.700 -1.000 0.000 2.548 124 S HA 0.661 5.131 4.470 -0.001 0.000 0.276 124 S C 1.010 175.490 174.600 -0.201 0.000 1.129 124 S CA -0.058 57.783 58.200 -0.599 0.000 0.931 124 S CB 1.861 64.907 63.200 -0.257 0.000 1.068 124 S HN 1.838 nan 8.310 nan 0.000 0.480 125 S N 0.310 116.044 115.700 0.057 0.000 2.522 125 S HA -0.089 4.381 4.470 -0.001 0.000 0.227 125 S C 1.531 176.180 174.600 0.082 0.000 0.986 125 S CA 0.979 59.351 58.200 0.287 0.000 0.929 125 S CB -0.760 62.654 63.200 0.357 0.000 0.769 125 S HN 0.858 nan 8.310 nan 0.000 0.529 126 T N 0.349 114.758 114.554 -0.241 0.000 3.129 126 T HA 0.353 4.703 4.350 -0.001 0.000 0.251 126 T C 0.696 175.204 174.700 -0.319 0.000 1.117 126 T CA -0.410 61.244 62.100 -0.745 0.000 1.034 126 T CB -0.634 67.724 68.868 -0.850 0.000 0.968 126 T HN 0.315 nan 8.240 nan 0.000 0.526 127 L N 1.690 122.841 121.223 -0.120 0.000 2.483 127 L HA 0.125 4.465 4.340 -0.001 0.000 0.277 127 L C 1.414 178.153 176.870 -0.218 0.000 1.248 127 L CA -0.310 54.390 54.840 -0.234 0.000 0.825 127 L CB 0.293 42.062 42.059 -0.484 0.000 1.096 127 L HN 0.097 nan 8.230 nan 0.000 0.512 128 D N 0.540 120.766 120.400 -0.289 0.000 2.123 128 D HA -0.103 4.537 4.640 -0.001 0.000 0.200 128 D C 1.915 178.022 176.300 -0.322 0.000 0.976 128 D CA 1.164 55.040 54.000 -0.207 0.000 0.831 128 D CB 0.015 40.699 40.800 -0.193 0.000 0.974 128 D HN 0.491 nan 8.370 nan 0.000 0.469 129 V N -1.066 118.493 119.914 -0.592 0.000 3.383 129 V HA -0.119 4.000 4.120 -0.001 0.000 0.272 129 V C 0.934 176.511 176.094 -0.861 0.000 1.181 129 V CA 0.946 62.840 62.300 -0.676 0.000 1.171 129 V CB -1.224 30.099 31.823 -0.834 0.000 0.800 129 V HN 0.049 nan 8.190 nan 0.000 0.515 130 Y N 0.570 120.445 120.300 -0.707 0.000 2.507 130 Y HA 0.363 4.913 4.550 -0.001 0.000 0.254 130 Y C 1.070 176.693 175.900 -0.462 0.000 1.171 130 Y CA -1.802 55.667 58.100 -1.052 0.000 1.238 130 Y CB -0.859 37.314 38.460 -0.477 0.000 1.148 130 Y HN 0.435 nan 8.280 nan 0.000 0.525 131 N N 0.591 119.232 118.700 -0.099 0.000 2.431 131 N HA 0.111 4.850 4.740 -0.001 0.000 0.265 131 N C 1.331 176.640 175.510 -0.336 0.000 1.184 131 N CA 0.274 53.247 53.050 -0.128 0.000 0.943 131 N CB 0.561 39.057 38.487 0.014 0.000 1.080 131 N HN 0.389 nan 8.380 nan 0.000 0.477 132 G N 3.226 111.206 108.800 -1.367 0.000 3.088 132 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.212 132 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.212 132 G C 1.263 175.553 174.900 -1.017 0.000 1.173 132 G CA -0.074 44.453 45.100 -0.954 0.000 0.779 132 G HN 0.779 nan 8.290 nan 0.000 0.540 133 K N -0.398 119.204 120.400 -1.329 0.000 2.057 133 K HA -0.124 4.196 4.320 -0.001 0.000 0.207 133 K C 1.686 178.041 176.600 -0.409 0.000 1.049 133 K CA 1.028 56.855 56.287 -0.766 0.000 0.931 133 K CB -0.536 31.572 32.500 -0.652 0.000 0.714 133 K HN 0.339 nan 8.250 nan 0.000 0.440 134 Y N 0.956 121.130 120.300 -0.209 0.000 2.224 134 Y HA -0.156 4.394 4.550 -0.001 0.000 0.289 134 Y C 2.349 178.217 175.900 -0.053 0.000 1.146 134 Y CA 0.660 58.700 58.100 -0.099 0.000 1.182 134 Y CB -0.294 38.085 38.460 -0.135 0.000 0.983 134 Y HN 0.041 nan 8.280 nan 0.000 0.524 135 L N 0.066 121.286 121.223 -0.006 0.000 2.049 135 L HA -0.013 4.327 4.340 -0.001 0.000 0.203 135 L C 2.463 179.328 176.870 -0.007 0.000 1.074 135 L CA 1.793 56.592 54.840 -0.069 0.000 0.749 135 L CB -1.329 40.577 42.059 -0.255 0.000 0.907 135 L HN 0.134 nan 8.230 nan 0.000 0.439 136 A N -1.110 121.711 122.820 0.002 0.000 1.884 136 A HA -0.356 3.964 4.320 -0.001 0.000 0.219 136 A C 2.349 179.995 177.584 0.103 0.000 1.197 136 A CA 2.359 54.451 52.037 0.092 0.000 0.637 136 A CB -1.385 17.728 19.000 0.188 0.000 0.827 136 A HN 0.629 nan 8.150 nan 0.000 0.450 137 Y N 0.716 121.016 120.300 0.001 0.000 2.089 137 Y HA -0.186 4.364 4.550 -0.001 0.000 0.282 137 Y C 2.789 178.698 175.900 0.016 0.000 1.139 137 Y CA 2.563 60.670 58.100 0.012 0.000 1.123 137 Y CB -0.786 37.661 38.460 -0.022 0.000 0.980 137 Y HN 0.292 nan 8.280 nan 0.000 0.493 138 T N 0.446 115.074 114.554 0.122 0.000 2.720 138 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 138 T C 1.311 175.984 174.700 -0.044 0.000 1.037 138 T CA 1.800 63.917 62.100 0.028 0.000 1.144 138 T CB -0.158 68.779 68.868 0.116 0.000 0.864 138 T HN 0.347 nan 8.240 nan 0.000 0.444 139 E N 0.336 120.534 120.200 -0.004 0.000 2.481 139 E HA 0.146 4.496 4.350 -0.001 0.000 0.198 139 E C 0.107 176.708 176.600 0.001 0.000 1.027 139 E CA -0.008 56.407 56.400 0.025 0.000 0.900 139 E CB 0.178 29.906 29.700 0.047 0.000 0.993 139 E HN 0.539 nan 8.360 nan 0.000 0.482 140 E N 0.196 120.376 120.200 -0.034 0.000 2.246 140 E HA -0.172 4.177 4.350 -0.001 0.000 0.211 140 E C -0.666 175.949 176.600 0.025 0.000 1.278 140 E CA 0.442 56.831 56.400 -0.018 0.000 0.694 140 E CB -1.167 28.515 29.700 -0.031 0.000 1.166 140 E HN 0.140 nan 8.360 nan 0.000 0.370 141 V N -2.798 117.145 119.914 0.048 0.000 2.962 141 V HA 0.710 4.830 4.120 -0.001 0.000 0.313 141 V C 0.198 176.363 176.094 0.119 0.000 1.099 141 V CA -1.015 61.324 62.300 0.065 0.000 0.971 141 V CB 2.331 34.177 31.823 0.038 0.000 1.028 141 V HN -0.046 nan 8.190 nan 0.000 0.430 142 V N 4.592 124.586 119.914 0.132 0.000 2.405 142 V HA 0.335 4.454 4.120 -0.001 0.000 0.264 142 V C 0.138 176.360 176.094 0.212 0.000 1.048 142 V CA -0.019 62.391 62.300 0.184 0.000 0.966 142 V CB 0.793 32.714 31.823 0.163 0.000 1.015 142 V HN 0.805 nan 8.190 nan 0.000 0.477 143 L N 6.688 128.091 121.223 0.301 0.000 2.264 143 L HA 0.615 4.954 4.340 -0.001 0.000 0.289 143 L C -0.623 176.527 176.870 0.467 0.000 1.044 143 L CA -0.163 54.905 54.840 0.380 0.000 0.807 143 L CB 1.432 43.715 42.059 0.373 0.000 1.192 143 L HN 0.430 nan 8.230 nan 0.000 0.425 144 V N 3.542 123.702 119.914 0.409 0.000 2.487 144 V HA 0.483 4.602 4.120 -0.001 0.000 0.298 144 V C -0.283 176.065 176.094 0.422 0.000 1.028 144 V CA -0.515 61.987 62.300 0.337 0.000 0.860 144 V CB 1.916 33.858 31.823 0.198 0.000 0.991 144 V HN 0.831 nan 8.190 nan 0.000 0.427 145 S N 5.585 121.546 115.700 0.436 0.000 2.530 145 S HA 0.773 5.243 4.470 -0.001 0.000 0.322 145 S C -0.642 174.132 174.600 0.291 0.000 1.085 145 S CA -0.763 57.724 58.200 0.477 0.000 1.096 145 S CB 1.240 64.845 63.200 0.675 0.000 0.988 145 S HN 0.636 nan 8.310 nan 0.000 0.466 146 L N 1.592 122.912 121.223 0.162 0.000 2.657 146 L HA 0.979 5.319 4.340 -0.001 0.000 0.240 146 L C 0.252 177.229 176.870 0.177 0.000 1.151 146 L CA -0.560 54.337 54.840 0.096 0.000 0.831 146 L CB -0.234 41.758 42.059 -0.113 0.000 1.539 146 L HN 0.879 nan 8.230 nan 0.000 0.511 147 S N -1.940 113.921 115.700 0.269 0.000 2.596 147 S HA 0.856 5.325 4.470 -0.001 0.000 0.270 147 S C -1.285 173.554 174.600 0.399 0.000 1.155 147 S CA -0.450 57.943 58.200 0.322 0.000 0.827 147 S CB 1.431 64.875 63.200 0.408 0.000 1.130 147 S HN 1.258 nan 8.310 nan 0.000 0.467 148 Y N -1.398 119.017 120.300 0.191 0.000 2.689 148 Y HA 0.694 5.243 4.550 -0.001 0.000 0.333 148 Y C -0.914 175.111 175.900 0.207 0.000 1.208 148 Y CA -1.417 56.787 58.100 0.173 0.000 1.055 148 Y CB 0.651 39.169 38.460 0.097 0.000 1.304 148 Y HN 0.773 nan 8.280 nan 0.000 0.455 149 R N 2.028 122.655 120.500 0.212 0.000 2.296 149 R HA 0.523 4.862 4.340 -0.001 0.000 0.323 149 R C -0.296 176.145 176.300 0.235 0.000 1.067 149 R CA -0.417 55.758 56.100 0.126 0.000 0.946 149 R CB 0.785 31.123 30.300 0.063 0.000 0.991 149 R HN 0.669 nan 8.270 nan 0.000 0.448 150 V N 0.645 120.722 119.914 0.271 0.000 3.096 150 V HA 0.899 5.019 4.120 -0.001 0.000 0.319 150 V C 0.793 177.208 176.094 0.534 0.000 1.082 150 V CA -0.004 62.594 62.300 0.497 0.000 1.022 150 V CB 1.233 33.249 31.823 0.321 0.000 1.103 150 V HN 0.947 nan 8.190 nan 0.000 0.455 151 G N 0.868 110.040 108.800 0.620 0.000 2.645 151 G HA2 0.097 4.056 3.960 -0.001 0.000 0.239 151 G HA3 0.097 4.056 3.960 -0.001 0.000 0.239 151 G C 0.861 175.963 174.900 0.337 0.000 1.331 151 G CA 0.479 45.881 45.100 0.504 0.000 0.890 151 G HN 2.133 nan 8.290 nan 0.000 0.572 152 A N -1.325 121.396 122.820 -0.166 0.000 1.940 152 A HA 0.202 4.521 4.320 -0.001 0.000 0.219 152 A C 2.223 179.703 177.584 -0.173 0.000 1.176 152 A CA 2.591 54.205 52.037 -0.705 0.000 0.631 152 A CB -0.519 17.742 19.000 -1.232 0.000 0.814 152 A HN 1.051 nan 8.150 nan 0.000 0.446 153 F N 0.060 120.042 119.950 0.054 0.000 2.154 153 F HA -0.096 4.430 4.527 -0.001 0.000 0.301 153 F C 2.360 178.140 175.800 -0.033 0.000 1.087 153 F CA 1.359 59.343 58.000 -0.027 0.000 1.274 153 F CB -0.634 38.334 39.000 -0.053 0.000 1.009 153 F HN 0.302 nan 8.300 nan 0.000 0.485 154 G N -3.335 105.549 108.800 0.139 0.000 3.228 154 G HA2 0.149 4.108 3.960 -0.001 0.000 0.245 154 G HA3 0.149 4.108 3.960 -0.001 0.000 0.245 154 G C 0.596 175.082 174.900 -0.691 0.000 1.051 154 G CA 0.033 45.005 45.100 -0.213 0.000 0.809 154 G HN 0.296 nan 8.290 nan 0.000 0.531 155 F N -0.506 119.541 119.950 0.162 0.000 2.974 155 F HA 0.412 4.939 4.527 -0.001 0.000 0.357 155 F C 0.508 176.372 175.800 0.106 0.000 1.114 155 F CA -1.040 57.037 58.000 0.128 0.000 1.099 155 F CB 0.368 39.471 39.000 0.170 0.000 1.205 155 F HN -0.067 nan 8.300 nan 0.000 0.535 156 L N 2.147 123.414 121.223 0.074 0.000 2.601 156 L HA 0.373 4.713 4.340 -0.001 0.000 0.277 156 L C 0.241 177.118 176.870 0.012 0.000 1.219 156 L CA 0.270 55.058 54.840 -0.087 0.000 0.915 156 L CB 0.489 42.276 42.059 -0.454 0.000 1.160 156 L HN 0.162 nan 8.230 nan 0.000 0.494 157 A N 7.193 130.055 122.820 0.071 0.000 2.586 157 A HA 0.486 4.805 4.320 -0.001 0.000 0.320 157 A C -0.611 177.005 177.584 0.053 0.000 1.281 157 A CA -0.499 51.581 52.037 0.072 0.000 0.775 157 A CB 0.221 19.293 19.000 0.121 0.000 1.122 157 A HN 0.697 nan 8.150 nan 0.000 0.470 158 L N 3.496 124.726 121.223 0.011 0.000 2.449 158 L HA 0.203 4.542 4.340 -0.001 0.000 0.255 158 L C 0.480 177.382 176.870 0.053 0.000 1.167 158 L CA -0.776 54.072 54.840 0.013 0.000 1.090 158 L CB -0.382 41.650 42.059 -0.046 0.000 1.385 158 L HN 0.820 nan 8.230 nan 0.000 0.411 159 H N 1.830 120.903 119.070 0.005 0.000 3.115 159 H HA 0.145 4.700 4.556 -0.001 0.000 0.324 159 H C 1.197 176.532 175.328 0.011 0.000 1.007 159 H CA 1.493 57.551 56.048 0.016 0.000 1.385 159 H CB 0.754 30.529 29.762 0.022 0.000 1.351 159 H HN 0.677 nan 8.280 nan 0.000 0.592 160 G N 2.496 110.953 108.800 -0.571 0.000 2.313 160 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.215 160 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.215 160 G C 0.483 175.278 174.900 -0.175 0.000 1.023 160 G CA 0.308 45.186 45.100 -0.371 0.000 0.626 160 G HN 0.956 nan 8.290 nan 0.000 0.503 161 S N -0.043 115.592 115.700 -0.108 0.000 2.610 161 S HA 0.618 5.088 4.470 -0.001 0.000 0.273 161 S C 0.991 175.570 174.600 -0.035 0.000 1.274 161 S CA 0.266 58.434 58.200 -0.053 0.000 1.023 161 S CB 1.602 64.782 63.200 -0.033 0.000 0.962 161 S HN 0.198 nan 8.310 nan 0.000 0.523 162 Q N 1.039 120.832 119.800 -0.012 0.000 2.319 162 Q HA 0.218 4.558 4.340 -0.001 0.000 0.209 162 Q C 1.146 177.164 176.000 0.029 0.000 0.884 162 Q CA 0.272 56.079 55.803 0.007 0.000 0.938 162 Q CB 0.222 28.964 28.738 0.007 0.000 1.098 162 Q HN 0.702 nan 8.270 nan 0.000 0.517 163 E N 0.423 120.643 120.200 0.033 0.000 2.170 163 E HA 0.072 4.422 4.350 -0.001 0.000 0.191 163 E C 0.133 176.790 176.600 0.096 0.000 0.981 163 E CA 0.572 57.011 56.400 0.066 0.000 0.830 163 E CB 0.495 30.235 29.700 0.067 0.000 0.775 163 E HN 0.107 nan 8.360 nan 0.000 0.470 164 A N 1.574 124.423 122.820 0.048 0.000 3.300 164 A HA 0.285 4.604 4.320 -0.001 0.000 0.300 164 A C -2.036 175.558 177.584 0.017 0.000 1.099 164 A CA -0.898 51.161 52.037 0.036 0.000 0.846 164 A CB 0.721 19.651 19.000 -0.118 0.000 1.255 164 A HN -0.108 nan 8.150 nan 0.000 0.519 165 P HA 0.140 nan 4.420 nan 0.000 0.220 165 P C 0.916 178.270 177.300 0.090 0.000 1.152 165 P CA 1.891 65.025 63.100 0.057 0.000 0.812 165 P CB 0.274 32.008 31.700 0.057 0.000 0.792 166 G N -0.011 108.830 108.800 0.068 0.000 2.612 166 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.686 166 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.686 166 G C -0.100 174.820 174.900 0.034 0.000 1.274 166 G CA -0.216 44.931 45.100 0.078 0.000 0.849 166 G HN 0.140 nan 8.290 nan 0.000 0.595 167 N N -2.202 116.525 118.700 0.045 0.000 2.815 167 N HA -0.312 4.427 4.740 -0.001 0.000 0.247 167 N C 2.068 177.438 175.510 -0.233 0.000 1.030 167 N CA 2.427 55.428 53.050 -0.081 0.000 0.881 167 N CB -1.435 36.923 38.487 -0.215 0.000 1.134 167 N HN 1.852 nan 8.380 nan 0.000 0.582 168 V N -2.194 117.589 119.914 -0.219 0.000 2.392 168 V HA -0.111 4.009 4.120 -0.001 0.000 0.249 168 V C 2.429 178.378 176.094 -0.241 0.000 1.059 168 V CA 2.503 64.706 62.300 -0.162 0.000 1.051 168 V CB -1.182 30.588 31.823 -0.087 0.000 0.658 168 V HN 0.272 nan 8.190 nan 0.000 0.455 169 G N 0.492 108.924 108.800 -0.613 0.000 2.440 169 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 169 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 169 G C 1.587 176.430 174.900 -0.096 0.000 1.154 169 G CA 1.343 46.179 45.100 -0.439 0.000 0.767 169 G HN 0.550 nan 8.290 nan 0.000 0.552 170 L N -0.107 121.029 121.223 -0.145 0.000 2.141 170 L HA 0.047 4.386 4.340 -0.001 0.000 0.209 170 L C 2.874 179.788 176.870 0.072 0.000 1.094 170 L CA 0.323 55.088 54.840 -0.125 0.000 0.763 170 L CB -0.275 41.422 42.059 -0.605 0.000 0.908 170 L HN 0.198 nan 8.230 nan 0.000 0.437 171 L N -0.595 120.656 121.223 0.047 0.000 2.056 171 L HA -0.221 4.119 4.340 -0.001 0.000 0.207 171 L C 2.162 179.124 176.870 0.154 0.000 1.078 171 L CA 1.075 56.009 54.840 0.157 0.000 0.749 171 L CB -0.637 41.487 42.059 0.108 0.000 0.901 171 L HN 0.263 nan 8.230 nan 0.000 0.433 172 D N -0.113 120.371 120.400 0.140 0.000 2.104 172 D HA -0.218 4.421 4.640 -0.001 0.000 0.194 172 D C 2.294 178.723 176.300 0.214 0.000 0.994 172 D CA 1.170 55.322 54.000 0.254 0.000 0.830 172 D CB -0.168 40.796 40.800 0.273 0.000 0.959 172 D HN 0.336 nan 8.370 nan 0.000 0.452 173 Q N -0.021 119.844 119.800 0.109 0.000 2.030 173 Q HA -0.176 4.163 4.340 -0.001 0.000 0.204 173 Q C 2.328 178.268 176.000 -0.101 0.000 0.986 173 Q CA 1.247 57.029 55.803 -0.035 0.000 0.843 173 Q CB -0.122 28.599 28.738 -0.029 0.000 0.904 173 Q HN 0.207 nan 8.270 nan 0.000 0.420 174 R N 0.431 120.967 120.500 0.058 0.000 2.096 174 R HA -0.220 4.120 4.340 -0.001 0.000 0.240 174 R C 2.276 178.564 176.300 -0.020 0.000 1.139 174 R CA 1.827 57.938 56.100 0.018 0.000 0.952 174 R CB -0.235 30.169 30.300 0.174 0.000 0.854 174 R HN 0.244 nan 8.270 nan 0.000 0.436 175 M N 0.287 119.911 119.600 0.039 0.000 2.106 175 M HA -0.169 4.311 4.480 -0.001 0.000 0.259 175 M C 2.044 178.290 176.300 -0.090 0.000 1.068 175 M CA 2.217 57.572 55.300 0.091 0.000 1.100 175 M CB -0.157 32.611 32.600 0.280 0.000 1.351 175 M HN 0.277 nan 8.290 nan 0.000 0.404 176 A N -0.183 122.294 122.820 -0.572 0.000 1.930 176 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 176 A C 2.111 179.531 177.584 -0.273 0.000 1.175 176 A CA 1.568 53.033 52.037 -0.952 0.000 0.627 176 A CB -1.034 17.189 19.000 -1.295 0.000 0.815 176 A HN 0.583 nan 8.150 nan 0.000 0.443 177 L N -1.019 120.087 121.223 -0.195 0.000 2.131 177 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 177 L C 2.830 179.725 176.870 0.041 0.000 1.092 177 L CA 1.673 56.469 54.840 -0.073 0.000 0.759 177 L CB -0.381 41.597 42.059 -0.135 0.000 0.903 177 L HN 0.515 nan 8.230 nan 0.000 0.435 178 Q N -0.463 119.366 119.800 0.049 0.000 2.083 178 Q HA -0.242 4.098 4.340 -0.001 0.000 0.198 178 Q C 2.003 178.106 176.000 0.171 0.000 0.969 178 Q CA 1.675 57.537 55.803 0.097 0.000 0.838 178 Q CB -0.420 28.369 28.738 0.086 0.000 0.900 178 Q HN 0.463 nan 8.270 nan 0.000 0.436 179 W N -0.729 120.582 121.300 0.019 0.000 2.374 179 W HA -0.113 4.547 4.660 -0.001 0.000 0.288 179 W C 1.601 178.156 176.519 0.061 0.000 1.218 179 W CA 1.392 58.773 57.345 0.060 0.000 1.245 179 W CB 0.143 29.643 29.460 0.067 0.000 1.126 179 W HN 0.016 nan 8.180 nan 0.000 0.545 180 V N -0.523 119.576 119.914 0.309 0.000 2.488 180 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 180 V C 2.423 178.554 176.094 0.061 0.000 1.046 180 V CA 2.166 64.587 62.300 0.201 0.000 1.053 180 V CB -1.106 30.820 31.823 0.172 0.000 0.679 180 V HN 0.319 nan 8.190 nan 0.000 0.458 181 H N 0.513 119.571 119.070 -0.020 0.000 2.321 181 H HA -0.165 4.391 4.556 -0.001 0.000 0.300 181 H C 1.893 177.141 175.328 -0.132 0.000 1.087 181 H CA 1.982 57.995 56.048 -0.058 0.000 1.319 181 H CB 0.143 29.884 29.762 -0.034 0.000 1.379 181 H HN 0.389 nan 8.280 nan 0.000 0.501 182 D N -0.215 120.114 120.400 -0.120 0.000 2.234 182 D HA -0.060 4.579 4.640 -0.001 0.000 0.205 182 D C 1.255 177.334 176.300 -0.368 0.000 0.962 182 D CA 0.710 54.564 54.000 -0.244 0.000 0.855 182 D CB -0.003 40.695 40.800 -0.171 0.000 0.951 182 D HN 0.510 nan 8.370 nan 0.000 0.500 183 N N -0.301 118.120 118.700 -0.466 0.000 2.239 183 N HA 0.022 4.762 4.740 -0.001 0.000 0.208 183 N C 1.511 176.919 175.510 -0.170 0.000 1.200 183 N CA -0.185 52.621 53.050 -0.407 0.000 0.895 183 N CB 0.951 38.905 38.487 -0.888 0.000 1.085 183 N HN -0.009 nan 8.380 nan 0.000 0.500 184 I N 3.350 123.861 120.570 -0.098 0.000 2.502 184 I HA -0.286 3.884 4.170 -0.001 0.000 0.258 184 I C 2.568 178.689 176.117 0.007 0.000 1.172 184 I CA 1.430 62.791 61.300 0.100 0.000 1.430 184 I CB -0.223 37.806 38.000 0.048 0.000 1.086 184 I HN 0.215 nan 8.210 nan 0.000 0.440 185 Q N -0.857 118.751 119.800 -0.321 0.000 2.124 185 Q HA -0.229 4.111 4.340 -0.001 0.000 0.202 185 Q C 1.851 177.627 176.000 -0.372 0.000 0.977 185 Q CA 1.715 57.268 55.803 -0.417 0.000 0.850 185 Q CB -0.874 27.469 28.738 -0.659 0.000 0.901 185 Q HN 0.421 nan 8.270 nan 0.000 0.429 186 F N -0.316 119.561 119.950 -0.122 0.000 2.699 186 F HA 0.109 4.636 4.527 -0.001 0.000 0.298 186 F C 0.806 176.350 175.800 -0.428 0.000 1.154 186 F CA 0.209 58.037 58.000 -0.287 0.000 1.457 186 F CB -0.110 38.642 39.000 -0.413 0.000 1.106 186 F HN 0.002 nan 8.300 nan 0.000 0.585 187 F N -0.675 119.280 119.950 0.009 0.000 2.653 187 F HA 0.433 4.960 4.527 -0.001 0.000 0.304 187 F C 1.781 177.593 175.800 0.020 0.000 1.092 187 F CA 0.299 58.286 58.000 -0.023 0.000 1.279 187 F CB 0.157 39.117 39.000 -0.067 0.000 1.044 187 F HN 0.046 nan 8.300 nan 0.000 0.564 188 G N 0.095 108.965 108.800 0.117 0.000 2.195 188 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.246 188 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.246 188 G C 0.715 175.655 174.900 0.067 0.000 0.984 188 G CA -0.271 44.879 45.100 0.084 0.000 0.633 188 G HN 0.705 nan 8.290 nan 0.000 0.525 189 G N -0.083 108.767 108.800 0.083 0.000 2.467 189 G HA2 0.451 4.410 3.960 -0.001 0.000 0.257 189 G HA3 0.451 4.410 3.960 -0.001 0.000 0.257 189 G C -0.485 174.404 174.900 -0.019 0.000 1.227 189 G CA 0.472 45.603 45.100 0.050 0.000 0.835 189 G HN 0.282 nan 8.290 nan 0.000 0.556 190 D N 2.492 122.881 120.400 -0.018 0.000 2.441 190 D HA 0.185 4.825 4.640 -0.001 0.000 0.221 190 D C -0.897 175.372 176.300 -0.051 0.000 1.156 190 D CA -2.370 51.601 54.000 -0.049 0.000 0.896 190 D CB 1.552 42.332 40.800 -0.033 0.000 1.028 190 D HN 0.109 nan 8.370 nan 0.000 0.509 191 P HA -0.144 nan 4.420 nan 0.000 0.226 191 P C 0.479 177.759 177.300 -0.034 0.000 1.146 191 P CA 0.654 63.690 63.100 -0.107 0.000 0.773 191 P CB 0.387 31.914 31.700 -0.288 0.000 0.772 192 K N -0.745 119.632 120.400 -0.039 0.000 2.372 192 K HA 0.186 4.505 4.320 -0.001 0.000 0.200 192 K C 0.393 176.989 176.600 -0.006 0.000 1.022 192 K CA 0.310 56.592 56.287 -0.008 0.000 1.125 192 K CB 0.194 32.676 32.500 -0.029 0.000 0.855 192 K HN 0.046 nan 8.250 nan 0.000 0.524 193 T N 1.001 115.554 114.554 -0.001 0.000 3.741 193 T HA 0.119 4.469 4.350 -0.001 0.000 0.242 193 T C -0.380 174.331 174.700 0.018 0.000 1.042 193 T CA -0.427 61.668 62.100 -0.009 0.000 1.278 193 T CB 0.485 69.336 68.868 -0.029 0.000 0.994 193 T HN -0.011 nan 8.240 nan 0.000 0.594 194 V N 0.134 120.087 119.914 0.064 0.000 2.481 194 V HA 0.787 4.906 4.120 -0.001 0.000 0.286 194 V C -0.415 175.759 176.094 0.134 0.000 1.042 194 V CA -0.086 62.277 62.300 0.105 0.000 0.928 194 V CB 1.574 33.484 31.823 0.145 0.000 0.986 194 V HN 0.314 nan 8.190 nan 0.000 0.462 195 T N 8.222 122.845 114.554 0.115 0.000 2.864 195 T HA 0.495 4.844 4.350 -0.001 0.000 0.310 195 T C -0.034 174.783 174.700 0.196 0.000 1.040 195 T CA -0.158 62.014 62.100 0.121 0.000 0.977 195 T CB 0.467 69.341 68.868 0.010 0.000 0.976 195 T HN 0.922 nan 8.240 nan 0.000 0.459 196 I N 2.001 122.659 120.570 0.147 0.000 2.416 196 I HA 0.752 4.921 4.170 -0.001 0.000 0.288 196 I C -0.740 175.534 176.117 0.262 0.000 1.051 196 I CA -0.669 60.700 61.300 0.117 0.000 1.375 196 I CB 0.201 38.045 38.000 -0.260 0.000 1.407 196 I HN 0.413 nan 8.210 nan 0.000 0.516 197 F N 3.986 123.964 119.950 0.046 0.000 2.578 197 F HA 1.001 5.528 4.527 -0.001 0.000 0.311 197 F C -0.278 175.502 175.800 -0.032 0.000 1.094 197 F CA -1.301 56.762 58.000 0.105 0.000 0.923 197 F CB 1.227 40.407 39.000 0.300 0.000 1.230 197 F HN 0.738 nan 8.300 nan 0.000 0.450 198 G N 1.138 109.818 108.800 -0.201 0.000 2.708 198 G HA2 0.557 4.517 3.960 -0.001 0.000 0.289 198 G HA3 0.557 4.517 3.960 -0.001 0.000 0.289 198 G C -2.302 172.449 174.900 -0.249 0.000 1.416 198 G CA -0.786 43.899 45.100 -0.691 0.000 0.829 198 G HN 0.813 nan 8.290 nan 0.000 0.480 199 E N -0.165 119.861 120.200 -0.289 0.000 2.293 199 E HA 0.585 4.935 4.350 -0.001 0.000 0.270 199 E C 0.457 177.034 176.600 -0.039 0.000 0.879 199 E CA 0.318 56.736 56.400 0.031 0.000 0.756 199 E CB 2.159 32.014 29.700 0.258 0.000 1.208 199 E HN 1.092 nan 8.360 nan 0.000 0.428 200 S N 3.292 119.032 115.700 0.068 0.000 4.116 200 S HA -0.382 4.087 4.470 -0.001 0.000 0.623 200 S C 1.476 176.162 174.600 0.143 0.000 1.933 200 S CA 2.391 60.680 58.200 0.149 0.000 4.224 200 S CB -1.709 61.465 63.200 -0.042 0.000 0.208 200 S HN 1.145 nan 8.310 nan 0.000 0.527 201 A N 1.275 124.045 122.820 -0.084 0.000 2.019 201 A HA 0.222 4.542 4.320 -0.001 0.000 0.219 201 A C 2.580 179.921 177.584 -0.405 0.000 1.164 201 A CA 2.368 54.150 52.037 -0.425 0.000 0.644 201 A CB -1.651 16.715 19.000 -1.057 0.000 0.805 201 A HN 1.727 nan 8.150 nan 0.000 0.449 202 G N -0.533 108.090 108.800 -0.293 0.000 2.402 202 G HA2 0.072 4.031 3.960 -0.001 0.000 0.216 202 G HA3 0.072 4.031 3.960 -0.001 0.000 0.216 202 G C 1.504 176.248 174.900 -0.259 0.000 1.162 202 G CA 1.129 46.016 45.100 -0.355 0.000 0.777 202 G HN 0.650 nan 8.290 nan 0.000 0.539 203 G N 1.093 109.799 108.800 -0.157 0.000 2.418 203 G HA2 0.065 4.024 3.960 -0.001 0.000 0.217 203 G HA3 0.065 4.024 3.960 -0.001 0.000 0.217 203 G C 2.046 176.869 174.900 -0.129 0.000 1.158 203 G CA 1.495 46.538 45.100 -0.096 0.000 0.771 203 G HN 0.614 nan 8.290 nan 0.000 0.545 204 A N 0.774 123.537 122.820 -0.094 0.000 1.902 204 A HA 0.008 4.328 4.320 -0.001 0.000 0.217 204 A C 2.704 180.246 177.584 -0.070 0.000 1.181 204 A CA 2.246 54.204 52.037 -0.131 0.000 0.623 204 A CB -0.652 18.297 19.000 -0.086 0.000 0.818 204 A HN 0.308 nan 8.150 nan 0.000 0.443 205 S N -0.405 115.284 115.700 -0.018 0.000 2.353 205 S HA -0.162 4.307 4.470 -0.001 0.000 0.222 205 S C 1.940 176.509 174.600 -0.051 0.000 1.035 205 S CA 1.492 59.680 58.200 -0.019 0.000 1.025 205 S CB -0.632 62.519 63.200 -0.082 0.000 0.902 205 S HN 0.353 nan 8.310 nan 0.000 0.440 206 V N 1.680 121.557 119.914 -0.062 0.000 2.250 206 V HA -0.262 3.857 4.120 -0.001 0.000 0.250 206 V C 2.610 178.666 176.094 -0.063 0.000 1.060 206 V CA 2.160 64.419 62.300 -0.068 0.000 1.030 206 V CB -1.546 30.206 31.823 -0.117 0.000 0.643 206 V HN 0.624 nan 8.190 nan 0.000 0.445 207 G N -1.182 107.530 108.800 -0.148 0.000 2.432 207 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.219 207 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.219 207 G C 1.552 176.452 174.900 0.000 0.000 1.135 207 G CA 1.019 46.004 45.100 -0.191 0.000 0.767 207 G HN 0.483 nan 8.290 nan 0.000 0.550 208 M N -0.203 119.409 119.600 0.021 0.000 2.394 208 M HA 0.036 4.515 4.480 -0.001 0.000 0.264 208 M C 2.106 178.489 176.300 0.139 0.000 1.073 208 M CA 0.769 56.197 55.300 0.213 0.000 1.111 208 M CB -0.195 32.560 32.600 0.257 0.000 1.401 208 M HN 0.201 nan 8.290 nan 0.000 0.448 209 H N -0.207 118.966 119.070 0.171 0.000 2.482 209 H HA 0.128 4.683 4.556 -0.001 0.000 0.286 209 H C 2.075 177.586 175.328 0.305 0.000 1.017 209 H CA 1.054 57.191 56.048 0.148 0.000 1.322 209 H CB 0.125 29.868 29.762 -0.032 0.000 1.426 209 H HN 0.407 nan 8.280 nan 0.000 0.546 210 I N 0.527 121.351 120.570 0.424 0.000 2.439 210 I HA -0.207 3.963 4.170 -0.001 0.000 0.251 210 I C 2.103 178.460 176.117 0.399 0.000 1.139 210 I CA 0.850 62.460 61.300 0.517 0.000 1.438 210 I CB -0.023 38.233 38.000 0.426 0.000 1.085 210 I HN 0.127 nan 8.210 nan 0.000 0.427 211 L N -0.620 120.802 121.223 0.330 0.000 2.162 211 L HA 0.007 4.346 4.340 -0.001 0.000 0.205 211 L C 1.484 178.467 176.870 0.188 0.000 1.086 211 L CA 0.255 55.290 54.840 0.326 0.000 0.778 211 L CB -0.177 42.109 42.059 0.379 0.000 0.928 211 L HN 0.039 nan 8.230 nan 0.000 0.446 212 S N 0.187 115.907 115.700 0.035 0.000 2.443 212 S HA 0.117 4.587 4.470 -0.001 0.000 0.284 212 S C -1.496 172.992 174.600 -0.187 0.000 1.206 212 S CA -1.411 56.612 58.200 -0.295 0.000 1.074 212 S CB 0.902 63.496 63.200 -1.010 0.000 0.963 212 S HN -0.077 nan 8.310 nan 0.000 0.501 213 P HA -0.074 nan 4.420 nan 0.000 0.216 213 P C 1.417 178.639 177.300 -0.130 0.000 1.153 213 P CA 1.090 64.129 63.100 -0.102 0.000 0.858 213 P CB -0.093 31.553 31.700 -0.090 0.000 0.789 214 G N -1.616 107.060 108.800 -0.207 0.000 2.653 214 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.212 214 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.212 214 G C 1.186 176.009 174.900 -0.129 0.000 1.138 214 G CA 0.699 45.693 45.100 -0.175 0.000 0.782 214 G HN 0.253 nan 8.290 nan 0.000 0.535 215 S N -0.772 114.874 115.700 -0.090 0.000 2.670 215 S HA 0.110 4.579 4.470 -0.001 0.000 0.241 215 S C 2.165 176.842 174.600 0.129 0.000 1.077 215 S CA -0.507 57.736 58.200 0.071 0.000 0.899 215 S CB 0.194 63.541 63.200 0.246 0.000 0.835 215 S HN 0.325 nan 8.310 nan 0.000 0.481 216 R N 2.073 122.605 120.500 0.054 0.000 2.165 216 R HA -0.194 4.146 4.340 -0.001 0.000 0.254 216 R C 0.747 176.838 176.300 -0.348 0.000 1.153 216 R CA 1.895 57.919 56.100 -0.127 0.000 0.971 216 R CB -0.876 29.380 30.300 -0.073 0.000 0.878 216 R HN 0.356 nan 8.270 nan 0.000 0.449 217 D N 0.572 120.846 120.400 -0.210 0.000 2.312 217 D HA -0.020 4.619 4.640 -0.001 0.000 0.211 217 D C 1.557 177.700 176.300 -0.261 0.000 0.964 217 D CA 0.660 54.523 54.000 -0.229 0.000 0.877 217 D CB -0.034 40.657 40.800 -0.180 0.000 0.924 217 D HN 0.221 nan 8.370 nan 0.000 0.515 218 L N -0.143 120.971 121.223 -0.181 0.000 2.612 218 L HA 0.181 4.521 4.340 -0.001 0.000 0.230 218 L C -0.301 176.654 176.870 0.142 0.000 1.140 218 L CA -0.125 54.663 54.840 -0.086 0.000 0.896 218 L CB -0.483 41.570 42.059 -0.011 0.000 1.065 218 L HN -0.021 nan 8.230 nan 0.000 0.447 219 F N -4.431 115.500 119.950 -0.031 0.000 2.678 219 F HA 0.538 5.064 4.527 -0.001 0.000 0.308 219 F C 0.279 176.089 175.800 0.016 0.000 1.118 219 F CA -1.373 56.629 58.000 0.005 0.000 0.959 219 F CB 1.078 40.077 39.000 -0.001 0.000 1.305 219 F HN -0.384 nan 8.300 nan 0.000 0.443 220 R N 1.389 121.946 120.500 0.095 0.000 2.046 220 R HA 0.421 4.761 4.340 -0.001 0.000 0.223 220 R C 0.149 176.494 176.300 0.075 0.000 1.179 220 R CA 1.251 57.350 56.100 -0.002 0.000 0.952 220 R CB 0.073 30.372 30.300 -0.002 0.000 0.843 220 R HN 0.802 nan 8.270 nan 0.000 0.439 221 R N -1.078 119.514 120.500 0.154 0.000 2.875 221 R HA 0.738 5.078 4.340 -0.001 0.000 0.251 221 R C -1.190 175.303 176.300 0.322 0.000 1.123 221 R CA -0.632 55.560 56.100 0.153 0.000 1.064 221 R CB 1.986 32.181 30.300 -0.175 0.000 1.205 221 R HN 0.330 nan 8.270 nan 0.000 0.503 222 A N 1.218 124.227 122.820 0.314 0.000 2.449 222 A HA 0.666 4.986 4.320 -0.001 0.000 0.302 222 A C -1.085 176.643 177.584 0.240 0.000 1.048 222 A CA -0.622 51.562 52.037 0.244 0.000 0.708 222 A CB 1.240 20.363 19.000 0.204 0.000 1.274 222 A HN 0.579 nan 8.150 nan 0.000 0.410 223 I N 2.182 122.850 120.570 0.163 0.000 2.478 223 I HA 0.365 4.535 4.170 -0.001 0.000 0.287 223 I C -1.552 174.635 176.117 0.116 0.000 1.042 223 I CA -0.601 60.744 61.300 0.074 0.000 1.067 223 I CB 1.916 39.926 38.000 0.017 0.000 1.233 223 I HN 0.448 nan 8.210 nan 0.000 0.431 224 L N 6.643 127.908 121.223 0.070 0.000 2.341 224 L HA 0.517 4.856 4.340 -0.001 0.000 0.278 224 L C -0.533 176.444 176.870 0.179 0.000 1.005 224 L CA -0.386 54.497 54.840 0.072 0.000 0.818 224 L CB 1.663 43.698 42.059 -0.041 0.000 1.259 224 L HN 0.480 nan 8.230 nan 0.000 0.418 225 Q N 1.353 121.296 119.800 0.238 0.000 2.325 225 Q HA 0.542 4.882 4.340 -0.001 0.000 0.270 225 Q C -0.371 175.781 176.000 0.253 0.000 1.020 225 Q CA -0.716 55.304 55.803 0.362 0.000 0.785 225 Q CB 1.843 30.892 28.738 0.518 0.000 1.259 225 Q HN 0.629 nan 8.270 nan 0.000 0.452 226 S N 1.170 117.016 115.700 0.243 0.000 3.524 226 S HA -0.100 4.369 4.470 -0.001 0.000 0.377 226 S C 0.004 174.777 174.600 0.288 0.000 0.949 226 S CA 0.582 58.943 58.200 0.269 0.000 1.264 226 S CB -1.232 62.168 63.200 0.335 0.000 0.918 226 S HN 1.063 nan 8.310 nan 0.000 0.517 227 G N -0.352 108.549 108.800 0.169 0.000 2.351 227 G HA2 0.503 4.463 3.960 -0.001 0.000 0.296 227 G HA3 0.503 4.463 3.960 -0.001 0.000 0.296 227 G C -0.886 173.966 174.900 -0.079 0.000 1.685 227 G CA -0.031 45.155 45.100 0.144 0.000 0.936 227 G HN 1.275 nan 8.290 nan 0.000 0.714 228 S N 1.361 116.923 115.700 -0.229 0.000 2.661 228 S HA 0.855 5.325 4.470 -0.001 0.000 0.285 228 S C -1.797 172.507 174.600 -0.493 0.000 1.138 228 S CA -0.876 57.044 58.200 -0.467 0.000 0.855 228 S CB 3.085 65.977 63.200 -0.515 0.000 1.136 228 S HN 0.506 nan 8.310 nan 0.000 0.484 229 P HA -0.142 nan 4.420 nan 0.000 0.218 229 P C 0.633 177.694 177.300 -0.398 0.000 1.148 229 P CA 1.398 64.264 63.100 -0.390 0.000 0.822 229 P CB -0.305 31.214 31.700 -0.302 0.000 0.784 230 N N -0.679 117.808 118.700 -0.355 0.000 2.383 230 N HA -0.020 4.719 4.740 -0.001 0.000 0.192 230 N C 0.090 175.351 175.510 -0.415 0.000 1.141 230 N CA -0.185 52.685 53.050 -0.300 0.000 0.851 230 N CB -1.347 37.078 38.487 -0.103 0.000 0.976 230 N HN 0.034 nan 8.380 nan 0.000 0.465 231 C N 2.829 121.763 119.300 -0.610 0.000 2.634 231 C HA 0.078 4.538 4.460 -0.001 0.000 0.417 231 C C -0.195 174.289 174.990 -0.845 0.000 1.334 231 C CA -0.880 57.631 59.018 -0.846 0.000 1.829 231 C CB 1.030 27.933 27.740 -1.394 0.000 2.665 231 C HN 0.374 nan 8.230 nan 0.000 0.614 232 P HA -0.106 nan 4.420 nan 0.000 0.226 232 P C 1.011 178.115 177.300 -0.327 0.000 1.146 232 P CA 1.755 64.577 63.100 -0.463 0.000 0.773 232 P CB -0.045 31.410 31.700 -0.408 0.000 0.772 233 W N -2.107 119.058 121.300 -0.225 0.000 3.103 233 W HA 0.586 5.245 4.660 -0.000 0.000 0.325 233 W C 1.191 177.750 176.519 0.067 0.000 1.170 233 W CA 0.311 57.594 57.345 -0.102 0.000 1.712 233 W CB -0.869 28.537 29.460 -0.090 0.000 1.068 233 W HN -0.142 nan 8.180 nan 0.000 0.592 234 A N 1.652 124.183 122.820 -0.482 0.000 2.067 234 A HA 0.082 4.402 4.320 -0.001 0.000 0.217 234 A C 1.240 178.667 177.584 -0.261 0.000 1.156 234 A CA 1.523 53.391 52.037 -0.281 0.000 0.683 234 A CB -0.579 18.016 19.000 -0.674 0.000 0.808 234 A HN 0.237 nan 8.150 nan 0.000 0.455 235 S N -1.980 113.546 115.700 -0.291 0.000 2.638 235 S HA 0.711 5.181 4.470 -0.001 0.000 0.274 235 S C -0.686 173.787 174.600 -0.212 0.000 1.157 235 S CA -0.037 57.987 58.200 -0.293 0.000 0.826 235 S CB 1.443 64.409 63.200 -0.391 0.000 1.139 235 S HN 1.419 nan 8.310 nan 0.000 0.474 236 V N -1.361 118.447 119.914 -0.177 0.000 3.206 236 V HA 0.922 5.042 4.120 -0.001 0.000 0.305 236 V C -0.102 175.922 176.094 -0.117 0.000 1.257 236 V CA -0.462 61.759 62.300 -0.132 0.000 1.057 236 V CB 1.122 32.884 31.823 -0.101 0.000 1.075 236 V HN 1.499 nan 8.190 nan 0.000 0.443 237 S N 0.467 116.109 115.700 -0.097 0.000 2.632 237 S HA 0.450 4.920 4.470 -0.001 0.000 0.267 237 S C 1.308 175.863 174.600 -0.074 0.000 1.276 237 S CA -0.024 58.123 58.200 -0.089 0.000 0.998 237 S CB 1.260 64.414 63.200 -0.077 0.000 0.953 237 S HN 2.144 nan 8.310 nan 0.000 0.547 238 V N -0.595 119.260 119.914 -0.098 0.000 2.392 238 V HA -0.096 4.024 4.120 -0.001 0.000 0.249 238 V C 2.616 178.694 176.094 -0.027 0.000 1.059 238 V CA 1.878 64.126 62.300 -0.087 0.000 1.051 238 V CB -2.168 29.514 31.823 -0.235 0.000 0.658 238 V HN 1.019 nan 8.190 nan 0.000 0.455 239 A N 0.719 123.518 122.820 -0.035 0.000 1.851 239 A HA -0.268 4.051 4.320 -0.001 0.000 0.216 239 A C 2.239 179.808 177.584 -0.024 0.000 1.195 239 A CA 2.352 54.377 52.037 -0.019 0.000 0.622 239 A CB -0.878 18.108 19.000 -0.024 0.000 0.831 239 A HN 0.628 nan 8.150 nan 0.000 0.444 240 E N 0.039 120.215 120.200 -0.040 0.000 2.070 240 E HA -0.104 4.246 4.350 -0.001 0.000 0.197 240 E C 2.023 178.597 176.600 -0.044 0.000 1.004 240 E CA 1.864 58.231 56.400 -0.054 0.000 0.805 240 E CB -1.028 28.631 29.700 -0.068 0.000 0.744 240 E HN 0.415 nan 8.360 nan 0.000 0.451 241 G N 0.555 109.341 108.800 -0.024 0.000 2.440 241 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.218 241 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.218 241 G C 1.775 176.699 174.900 0.040 0.000 1.154 241 G CA 1.035 46.146 45.100 0.018 0.000 0.767 241 G HN 0.354 nan 8.290 nan 0.000 0.552 242 R N 0.269 120.784 120.500 0.026 0.000 2.066 242 R HA -0.002 4.337 4.340 -0.001 0.000 0.232 242 R C 2.583 178.888 176.300 0.009 0.000 1.131 242 R CA 1.329 57.444 56.100 0.024 0.000 0.955 242 R CB -0.412 29.904 30.300 0.028 0.000 0.851 242 R HN 0.285 nan 8.270 nan 0.000 0.432 243 R N 0.836 121.331 120.500 -0.008 0.000 2.096 243 R HA -0.167 4.172 4.340 -0.001 0.000 0.240 243 R C 2.064 178.351 176.300 -0.022 0.000 1.139 243 R CA 2.033 58.119 56.100 -0.024 0.000 0.952 243 R CB -0.229 30.043 30.300 -0.048 0.000 0.854 243 R HN 0.312 nan 8.270 nan 0.000 0.436 244 R N -0.255 120.231 120.500 -0.024 0.000 2.189 244 R HA -0.036 4.303 4.340 -0.001 0.000 0.223 244 R C 2.271 178.643 176.300 0.119 0.000 1.092 244 R CA 0.999 57.088 56.100 -0.018 0.000 0.989 244 R CB -0.194 30.029 30.300 -0.128 0.000 0.876 244 R HN 0.289 nan 8.270 nan 0.000 0.457 245 A N 0.785 123.673 122.820 0.112 0.000 1.854 245 A HA -0.077 4.242 4.320 -0.001 0.000 0.214 245 A C 2.333 179.925 177.584 0.012 0.000 1.192 245 A CA 1.079 53.160 52.037 0.073 0.000 0.611 245 A CB -0.505 18.491 19.000 -0.007 0.000 0.832 245 A HN 0.077 nan 8.150 nan 0.000 0.442 246 V N 0.176 120.091 119.914 0.002 0.000 2.287 246 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 246 V C 2.623 178.719 176.094 0.003 0.000 1.053 246 V CA 2.501 64.796 62.300 -0.007 0.000 1.027 246 V CB -0.822 30.996 31.823 -0.009 0.000 0.646 246 V HN 0.647 nan 8.190 nan 0.000 0.447 247 E N 0.150 120.355 120.200 0.008 0.000 2.070 247 E HA -0.248 4.102 4.350 -0.001 0.000 0.197 247 E C 1.942 178.562 176.600 0.033 0.000 1.004 247 E CA 1.507 57.913 56.400 0.010 0.000 0.805 247 E CB -0.549 29.145 29.700 -0.009 0.000 0.744 247 E HN 0.445 nan 8.360 nan 0.000 0.451 248 L N -0.195 121.069 121.223 0.069 0.000 2.012 248 L HA -0.057 4.282 4.340 -0.001 0.000 0.210 248 L C 2.189 179.075 176.870 0.026 0.000 1.073 248 L CA 2.509 57.400 54.840 0.085 0.000 0.748 248 L CB -1.103 41.034 42.059 0.130 0.000 0.891 248 L HN 0.237 nan 8.230 nan 0.000 0.431 249 G N -0.957 107.843 108.800 -0.001 0.000 2.446 249 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.217 249 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.217 249 G C 1.801 176.706 174.900 0.008 0.000 1.168 249 G CA 0.843 45.936 45.100 -0.010 0.000 0.771 249 G HN 0.432 nan 8.290 nan 0.000 0.551 250 R N 0.395 120.901 120.500 0.010 0.000 2.127 250 R HA -0.045 4.294 4.340 -0.001 0.000 0.238 250 R C 2.206 178.519 176.300 0.021 0.000 1.134 250 R CA 1.285 57.393 56.100 0.013 0.000 0.975 250 R CB -0.287 30.018 30.300 0.009 0.000 0.865 250 R HN 0.332 nan 8.270 nan 0.000 0.447 251 N N 0.167 118.884 118.700 0.027 0.000 2.396 251 N HA -0.101 4.639 4.740 -0.001 0.000 0.180 251 N C 0.867 176.401 175.510 0.039 0.000 1.028 251 N CA 0.868 53.941 53.050 0.037 0.000 0.893 251 N CB 0.189 38.706 38.487 0.050 0.000 0.967 251 N HN 0.267 nan 8.380 nan 0.000 0.440 252 L N 0.839 122.081 121.223 0.033 0.000 2.818 252 L HA 0.211 4.551 4.340 -0.001 0.000 0.243 252 L C -0.326 176.562 176.870 0.031 0.000 1.185 252 L CA -0.138 54.722 54.840 0.034 0.000 0.988 252 L CB -0.056 42.023 42.059 0.032 0.000 1.292 252 L HN 0.013 nan 8.230 nan 0.000 0.519 253 N N -0.550 118.166 118.700 0.027 0.000 2.727 253 N HA -0.175 4.565 4.740 -0.001 0.000 0.251 253 N C -0.316 175.210 175.510 0.027 0.000 1.040 253 N CA 0.471 53.536 53.050 0.026 0.000 0.712 253 N CB -1.814 36.689 38.487 0.027 0.000 0.912 253 N HN 0.269 nan 8.380 nan 0.000 0.545 254 c N 0.977 119.591 118.600 0.023 0.000 2.398 254 c HA 0.265 4.834 4.570 -0.001 0.000 0.364 254 c C 1.328 175.433 174.090 0.024 0.000 1.219 254 c CA -0.967 55.378 56.329 0.026 0.000 2.312 254 c CB 1.075 43.595 42.510 0.017 0.000 2.428 254 c HN 0.418 nan 8.230 nan 0.000 0.564 255 N N 2.071 120.791 118.700 0.033 0.000 2.468 255 N HA 0.103 4.843 4.740 -0.001 0.000 0.265 255 N C -0.186 175.335 175.510 0.019 0.000 1.199 255 N CA 0.317 53.383 53.050 0.027 0.000 0.928 255 N CB 0.445 38.953 38.487 0.034 0.000 1.059 255 N HN 0.641 nan 8.380 nan 0.000 0.467 256 L N 3.286 124.516 121.223 0.011 0.000 3.017 256 L HA 0.215 4.554 4.340 -0.001 0.000 0.255 256 L C 0.805 177.677 176.870 0.003 0.000 1.247 256 L CA -0.278 54.565 54.840 0.005 0.000 1.038 256 L CB -0.162 41.898 42.059 0.002 0.000 1.380 256 L HN 0.408 nan 8.230 nan 0.000 0.548 257 N N 0.336 119.039 118.700 0.005 0.000 2.270 257 N HA -0.082 4.658 4.740 -0.001 0.000 0.181 257 N C 0.614 176.124 175.510 0.000 0.000 1.016 257 N CA 0.821 53.872 53.050 0.002 0.000 0.870 257 N CB 0.225 38.714 38.487 0.002 0.000 0.979 257 N HN 0.416 nan 8.380 nan 0.000 0.431 258 S N -1.846 113.855 115.700 0.001 0.000 2.596 258 S HA 0.375 4.844 4.470 -0.001 0.000 0.270 258 S C -0.329 174.269 174.600 -0.003 0.000 1.155 258 S CA -0.890 57.309 58.200 -0.002 0.000 0.827 258 S CB 1.563 64.762 63.200 -0.002 0.000 1.130 258 S HN -0.193 nan 8.310 nan 0.000 0.467 259 D N 1.072 121.468 120.400 -0.008 0.000 2.117 259 D HA -0.024 4.616 4.640 -0.001 0.000 0.197 259 D C 1.545 177.843 176.300 -0.003 0.000 0.987 259 D CA 1.787 55.777 54.000 -0.016 0.000 0.829 259 D CB -0.221 40.566 40.800 -0.021 0.000 0.961 259 D HN 0.702 nan 8.370 nan 0.000 0.460 260 E N 0.680 120.886 120.200 0.010 0.000 2.110 260 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 260 E C 1.967 178.602 176.600 0.058 0.000 0.988 260 E CA 0.780 57.200 56.400 0.033 0.000 0.804 260 E CB -0.110 29.601 29.700 0.019 0.000 0.745 260 E HN 0.265 nan 8.360 nan 0.000 0.458 261 E N 0.165 120.386 120.200 0.034 0.000 2.051 261 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 261 E C 2.107 178.751 176.600 0.074 0.000 0.991 261 E CA 0.707 57.135 56.400 0.047 0.000 0.799 261 E CB -0.313 29.400 29.700 0.021 0.000 0.748 261 E HN 0.185 nan 8.360 nan 0.000 0.449 262 L N 1.164 122.406 121.223 0.031 0.000 2.005 262 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 262 L C 2.273 179.136 176.870 -0.012 0.000 1.072 262 L CA 1.459 56.300 54.840 0.003 0.000 0.744 262 L CB -0.635 41.405 42.059 -0.032 0.000 0.895 262 L HN 0.054 nan 8.230 nan 0.000 0.433 263 I N -0.687 119.871 120.570 -0.021 0.000 2.208 263 I HA -0.348 3.822 4.170 -0.001 0.000 0.245 263 I C 2.641 178.806 176.117 0.079 0.000 1.097 263 I CA 1.641 62.920 61.300 -0.035 0.000 1.363 263 I CB -0.801 37.193 38.000 -0.011 0.000 1.051 263 I HN 0.506 nan 8.210 nan 0.000 0.413 264 H N 0.741 119.834 119.070 0.039 0.000 2.319 264 H HA -0.283 4.273 4.556 -0.001 0.000 0.299 264 H C 2.494 177.862 175.328 0.067 0.000 1.092 264 H CA 2.405 58.489 56.048 0.060 0.000 1.302 264 H CB -0.261 29.523 29.762 0.037 0.000 1.373 264 H HN 0.497 nan 8.280 nan 0.000 0.497 265 c N 0.955 119.577 118.600 0.038 0.000 2.413 265 c HA -0.119 4.451 4.570 -0.001 0.000 0.276 265 c C 3.091 177.166 174.090 -0.025 0.000 1.248 265 c CA 0.990 57.319 56.329 0.001 0.000 1.742 265 c CB -1.455 41.092 42.510 0.062 0.000 2.017 265 c HN 0.572 nan 8.230 nan 0.000 0.481 266 L N 0.061 121.294 121.223 0.018 0.000 2.141 266 L HA -0.055 4.285 4.340 -0.001 0.000 0.209 266 L C 2.919 179.896 176.870 0.179 0.000 1.094 266 L CA 1.339 56.234 54.840 0.093 0.000 0.763 266 L CB -0.614 41.467 42.059 0.037 0.000 0.908 266 L HN 0.320 nan 8.230 nan 0.000 0.437 267 R N -0.388 120.195 120.500 0.139 0.000 2.236 267 R HA -0.067 4.273 4.340 -0.001 0.000 0.208 267 R C 1.692 177.957 176.300 -0.058 0.000 1.036 267 R CA 0.493 56.624 56.100 0.050 0.000 1.001 267 R CB 0.058 30.374 30.300 0.027 0.000 0.896 267 R HN 0.302 nan 8.270 nan 0.000 0.464 268 E N 0.555 120.683 120.200 -0.120 0.000 2.385 268 E HA 0.022 4.371 4.350 -0.001 0.000 0.194 268 E C 0.068 176.655 176.600 -0.022 0.000 1.013 268 E CA 0.526 56.864 56.400 -0.103 0.000 0.866 268 E CB 0.282 29.890 29.700 -0.154 0.000 0.832 268 E HN 0.046 nan 8.360 nan 0.000 0.500 269 K N 1.783 122.189 120.400 0.009 0.000 2.237 269 K HA 0.196 4.516 4.320 -0.001 0.000 0.270 269 K C 0.518 177.156 176.600 0.064 0.000 1.015 269 K CA -0.132 56.180 56.287 0.042 0.000 0.949 269 K CB 1.036 33.568 32.500 0.054 0.000 0.976 269 K HN -0.081 nan 8.250 nan 0.000 0.472 270 K N 2.386 122.827 120.400 0.068 0.000 2.276 270 K HA 0.025 4.345 4.320 -0.001 0.000 0.259 270 K C -1.585 175.103 176.600 0.147 0.000 1.001 270 K CA -1.462 54.873 56.287 0.079 0.000 0.927 270 K CB 0.032 32.569 32.500 0.062 0.000 0.969 270 K HN 0.180 nan 8.250 nan 0.000 0.490 271 P HA -0.217 nan 4.420 nan 0.000 0.214 271 P C 1.067 178.590 177.300 0.371 0.000 1.163 271 P CA 1.282 64.595 63.100 0.355 0.000 0.889 271 P CB 0.223 31.959 31.700 0.059 0.000 0.790 272 Q N -0.118 119.806 119.800 0.208 0.000 2.508 272 Q HA -0.157 4.182 4.340 -0.001 0.000 0.214 272 Q C 1.676 177.779 176.000 0.171 0.000 0.979 272 Q CA 1.377 57.294 55.803 0.189 0.000 0.911 272 Q CB -0.794 28.020 28.738 0.126 0.000 0.969 272 Q HN 0.375 nan 8.270 nan 0.000 0.504 273 E N -1.161 119.129 120.200 0.151 0.000 2.122 273 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 273 E C 1.343 178.007 176.600 0.107 0.000 0.977 273 E CA 0.543 57.012 56.400 0.115 0.000 0.820 273 E CB 0.097 29.851 29.700 0.089 0.000 0.770 273 E HN 0.243 nan 8.360 nan 0.000 0.462 274 L N 0.927 122.206 121.223 0.094 0.000 2.072 274 L HA -0.111 4.229 4.340 -0.001 0.000 0.205 274 L C 2.226 179.135 176.870 0.065 0.000 1.079 274 L CA 1.366 56.207 54.840 0.002 0.000 0.752 274 L CB -0.509 41.429 42.059 -0.202 0.000 0.906 274 L HN 0.145 nan 8.230 nan 0.000 0.436 275 I N -0.629 120.041 120.570 0.167 0.000 2.226 275 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 275 I C 1.892 178.188 176.117 0.297 0.000 1.100 275 I CA 1.134 62.597 61.300 0.272 0.000 1.374 275 I CB -0.587 37.630 38.000 0.361 0.000 1.057 275 I HN 0.211 nan 8.210 nan 0.000 0.413 276 D N 0.688 121.232 120.400 0.241 0.000 2.221 276 D HA -0.122 4.517 4.640 -0.001 0.000 0.204 276 D C 1.901 178.333 176.300 0.220 0.000 0.982 276 D CA 1.472 55.611 54.000 0.232 0.000 0.857 276 D CB 0.041 40.939 40.800 0.164 0.000 0.934 276 D HN 0.430 nan 8.370 nan 0.000 0.475 277 V N -3.002 117.021 119.914 0.182 0.000 3.477 277 V HA 0.203 4.322 4.120 -0.001 0.000 0.297 277 V C 1.771 177.956 176.094 0.153 0.000 1.433 277 V CA -0.051 62.343 62.300 0.158 0.000 1.052 277 V CB 0.352 32.242 31.823 0.110 0.000 0.895 277 V HN -0.075 nan 8.190 nan 0.000 0.438 278 E N 0.951 121.241 120.200 0.149 0.000 2.108 278 E HA -0.294 4.055 4.350 -0.001 0.000 0.203 278 E C 1.483 177.990 176.600 -0.154 0.000 1.022 278 E CA 2.849 59.285 56.400 0.061 0.000 0.823 278 E CB -0.226 29.439 29.700 -0.058 0.000 0.744 278 E HN 0.826 nan 8.360 nan 0.000 0.456 279 W N 0.518 121.802 121.300 -0.027 0.000 3.077 279 W HA 0.051 4.711 4.660 -0.001 0.000 0.245 279 W C 1.288 177.765 176.519 -0.070 0.000 1.316 279 W CA -0.092 57.192 57.345 -0.101 0.000 1.537 279 W CB 0.118 29.486 29.460 -0.154 0.000 1.131 279 W HN 0.071 nan 8.180 nan 0.000 0.695 280 N N 0.098 118.879 118.700 0.135 0.000 2.383 280 N HA -0.051 4.689 4.740 -0.001 0.000 0.192 280 N C 1.643 177.160 175.510 0.013 0.000 1.141 280 N CA 0.976 54.075 53.050 0.080 0.000 0.851 280 N CB -0.190 38.346 38.487 0.082 0.000 0.976 280 N HN 0.265 nan 8.380 nan 0.000 0.465 281 V N -2.533 117.354 119.914 -0.044 0.000 3.471 281 V HA 0.256 4.375 4.120 -0.001 0.000 0.258 281 V C 0.889 176.885 176.094 -0.163 0.000 1.192 281 V CA -0.053 62.182 62.300 -0.107 0.000 1.116 281 V CB -0.343 31.387 31.823 -0.155 0.000 0.792 281 V HN -0.037 nan 8.190 nan 0.000 0.459 282 L N 1.958 123.093 121.223 -0.148 0.000 2.499 282 L HA 0.158 4.498 4.340 -0.001 0.000 0.281 282 L C -0.523 176.238 176.870 -0.181 0.000 1.234 282 L CA -0.533 54.217 54.840 -0.149 0.000 0.839 282 L CB 0.188 42.216 42.059 -0.051 0.000 1.104 282 L HN 0.174 nan 8.230 nan 0.000 0.500 283 P HA 0.062 nan 4.420 nan 0.000 0.239 283 P C -0.332 176.485 177.300 -0.805 0.000 1.188 283 P CA 0.768 63.509 63.100 -0.597 0.000 0.794 283 P CB 0.429 31.643 31.700 -0.811 0.000 0.937 284 F N -0.262 119.680 119.950 -0.013 0.000 2.613 284 F HA 0.357 4.883 4.527 -0.001 0.000 0.314 284 F C 0.112 175.915 175.800 0.005 0.000 1.075 284 F CA -1.499 56.501 58.000 0.000 0.000 0.945 284 F CB 0.563 39.567 39.000 0.008 0.000 1.310 284 F HN -0.363 nan 8.300 nan 0.000 0.467 285 D N 1.484 122.018 120.400 0.223 0.000 2.338 285 D HA 0.445 5.085 4.640 -0.001 0.000 0.255 285 D C -0.751 175.619 176.300 0.117 0.000 1.237 285 D CA 0.336 54.410 54.000 0.123 0.000 0.883 285 D CB 0.352 41.204 40.800 0.087 0.000 1.087 285 D HN 0.603 nan 8.370 nan 0.000 0.485 286 S N 2.543 118.303 115.700 0.099 0.000 2.596 286 S HA 0.610 5.080 4.470 -0.001 0.000 0.270 286 S C -0.906 173.722 174.600 0.047 0.000 1.155 286 S CA -1.023 57.220 58.200 0.071 0.000 0.827 286 S CB 0.880 64.138 63.200 0.097 0.000 1.130 286 S HN 0.259 nan 8.310 nan 0.000 0.467 287 I N 1.321 121.912 120.570 0.034 0.000 2.525 287 I HA 0.664 4.834 4.170 -0.001 0.000 0.301 287 I C -0.221 175.911 176.117 0.025 0.000 0.992 287 I CA -0.734 60.593 61.300 0.046 0.000 1.162 287 I CB 0.791 38.822 38.000 0.050 0.000 1.332 287 I HN 0.811 nan 8.210 nan 0.000 0.458 288 F N 5.612 125.400 119.950 -0.269 0.000 3.039 288 F HA -0.237 4.290 4.527 -0.001 0.000 0.287 288 F C -0.418 174.860 175.800 -0.870 0.000 0.956 288 F CA 0.383 57.950 58.000 -0.722 0.000 0.971 288 F CB -0.671 37.824 39.000 -0.842 0.000 0.943 288 F HN 0.446 nan 8.300 nan 0.000 0.766 289 R N 1.022 121.103 120.500 -0.699 0.000 2.564 289 R HA 0.557 4.896 4.340 -0.001 0.000 0.284 289 R C -1.023 174.799 176.300 -0.796 0.000 1.031 289 R CA -0.534 55.152 56.100 -0.689 0.000 0.904 289 R CB 1.274 31.465 30.300 -0.183 0.000 1.199 289 R HN 0.011 nan 8.270 nan 0.000 0.443 290 F N -0.451 119.567 119.950 0.112 0.000 2.522 290 F HA 0.404 4.931 4.527 -0.001 0.000 0.324 290 F C 1.650 177.293 175.800 -0.261 0.000 1.077 290 F CA -0.871 57.069 58.000 -0.099 0.000 0.944 290 F CB 1.483 40.556 39.000 0.122 0.000 1.175 290 F HN 0.348 nan 8.300 nan 0.000 0.468 291 S N 0.680 116.122 115.700 -0.431 0.000 2.380 291 S HA -0.107 4.362 4.470 -0.001 0.000 0.217 291 S C 0.171 174.292 174.600 -0.798 0.000 1.036 291 S CA 1.240 58.984 58.200 -0.760 0.000 1.050 291 S CB -0.354 62.162 63.200 -1.140 0.000 1.016 291 S HN 0.351 nan 8.310 nan 0.000 0.419 292 F N 1.962 121.905 119.950 -0.011 0.000 2.371 292 F HA 0.560 5.086 4.527 -0.001 0.000 0.363 292 F C 0.154 175.968 175.800 0.024 0.000 1.122 292 F CA -0.890 57.150 58.000 0.066 0.000 1.129 292 F CB 0.749 39.831 39.000 0.136 0.000 1.173 292 F HN -0.010 nan 8.300 nan 0.000 0.489 293 V N 0.937 120.826 119.914 -0.041 0.000 3.181 293 V HA 0.717 4.837 4.120 -0.001 0.000 0.308 293 V C -2.956 172.828 176.094 -0.517 0.000 1.214 293 V CA -3.378 58.589 62.300 -0.555 0.000 1.053 293 V CB 2.029 33.696 31.823 -0.261 0.000 1.069 293 V HN 0.284 nan 8.190 nan 0.000 0.441 294 P HA 0.167 nan 4.420 nan 0.000 0.261 294 P C -0.307 176.910 177.300 -0.138 0.000 1.173 294 P CA 0.494 63.397 63.100 -0.329 0.000 0.760 294 P CB 0.363 31.798 31.700 -0.443 0.000 0.783 295 V N 2.750 122.677 119.914 0.022 0.000 2.612 295 V HA 0.408 4.527 4.120 -0.001 0.000 0.301 295 V C 0.146 176.297 176.094 0.095 0.000 1.046 295 V CA -0.656 61.650 62.300 0.009 0.000 0.946 295 V CB 1.393 33.235 31.823 0.033 0.000 1.003 295 V HN 0.208 nan 8.190 nan 0.000 0.459 296 I N 5.335 125.898 120.570 -0.011 0.000 2.278 296 I HA 0.164 4.334 4.170 -0.001 0.000 0.300 296 I C 1.054 177.198 176.117 0.044 0.000 1.174 296 I CA 0.178 61.505 61.300 0.044 0.000 1.347 296 I CB -0.317 37.616 38.000 -0.113 0.000 1.473 296 I HN 0.962 nan 8.210 nan 0.000 0.595 297 D N 3.401 123.883 120.400 0.136 0.000 2.289 297 D HA -0.022 4.617 4.640 -0.001 0.000 0.207 297 D C 1.480 177.804 176.300 0.040 0.000 0.966 297 D CA 1.130 55.135 54.000 0.007 0.000 0.868 297 D CB 0.347 41.246 40.800 0.165 0.000 0.943 297 D HN 0.627 nan 8.370 nan 0.000 0.514 298 G N 0.160 109.039 108.800 0.131 0.000 2.213 298 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.226 298 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.226 298 G C 0.896 175.872 174.900 0.125 0.000 0.992 298 G CA 0.393 45.563 45.100 0.116 0.000 0.632 298 G HN 0.456 nan 8.290 nan 0.000 0.511 299 E N -0.974 119.314 120.200 0.146 0.000 2.118 299 E HA 0.406 4.755 4.350 -0.001 0.000 0.203 299 E C 1.814 178.447 176.600 0.055 0.000 0.958 299 E CA -0.082 56.379 56.400 0.101 0.000 0.957 299 E CB -0.086 29.687 29.700 0.122 0.000 1.205 299 E HN 0.197 nan 8.360 nan 0.000 0.494 300 F N 0.744 120.623 119.950 -0.118 0.000 2.192 300 F HA -0.102 4.424 4.527 -0.001 0.000 0.301 300 F C 0.102 175.574 175.800 -0.546 0.000 1.079 300 F CA 1.136 58.923 58.000 -0.355 0.000 1.303 300 F CB 0.267 38.973 39.000 -0.489 0.000 1.024 300 F HN -0.095 nan 8.300 nan 0.000 0.494 301 F N 0.376 120.466 119.950 0.233 0.000 2.430 301 F HA 0.357 4.884 4.527 -0.001 0.000 0.362 301 F C -1.583 174.259 175.800 0.069 0.000 1.103 301 F CA -2.994 55.088 58.000 0.136 0.000 1.045 301 F CB 0.733 39.811 39.000 0.129 0.000 1.276 301 F HN -0.275 nan 8.300 nan 0.000 0.444 302 P HA -0.150 nan 4.420 nan 0.000 0.215 302 P C 0.547 177.912 177.300 0.108 0.000 1.163 302 P CA 2.070 65.233 63.100 0.105 0.000 0.894 302 P CB 0.194 31.935 31.700 0.068 0.000 0.791 303 T N -6.454 108.172 114.554 0.121 0.000 2.654 303 T HA 0.453 4.803 4.350 -0.001 0.000 0.289 303 T C -0.473 174.267 174.700 0.066 0.000 1.062 303 T CA -0.601 61.546 62.100 0.077 0.000 1.041 303 T CB 0.662 69.561 68.868 0.051 0.000 1.417 303 T HN -0.008 nan 8.240 nan 0.000 0.510 304 S N 0.472 116.185 115.700 0.020 0.000 2.558 304 S HA 0.092 4.562 4.470 -0.001 0.000 0.291 304 S C 1.604 176.198 174.600 -0.011 0.000 1.306 304 S CA -0.623 57.564 58.200 -0.021 0.000 1.056 304 S CB -0.468 62.719 63.200 -0.021 0.000 0.836 304 S HN 0.663 nan 8.310 nan 0.000 0.504 305 L N 0.629 121.804 121.223 -0.080 0.000 2.127 305 L HA -0.146 4.193 4.340 -0.001 0.000 0.211 305 L C 2.862 179.760 176.870 0.046 0.000 1.089 305 L CA 1.935 56.746 54.840 -0.048 0.000 0.757 305 L CB -0.799 41.161 42.059 -0.166 0.000 0.899 305 L HN 0.779 nan 8.230 nan 0.000 0.434 306 E N 0.847 121.069 120.200 0.037 0.000 2.051 306 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 306 E C 2.307 178.972 176.600 0.107 0.000 0.991 306 E CA 1.800 58.258 56.400 0.095 0.000 0.799 306 E CB -0.123 29.617 29.700 0.067 0.000 0.748 306 E HN 0.468 nan 8.360 nan 0.000 0.449 307 S N -0.308 115.435 115.700 0.072 0.000 2.382 307 S HA -0.199 4.270 4.470 -0.001 0.000 0.228 307 S C 2.178 176.825 174.600 0.079 0.000 1.027 307 S CA 1.424 59.664 58.200 0.066 0.000 0.991 307 S CB -0.416 62.809 63.200 0.041 0.000 0.823 307 S HN 0.255 nan 8.310 nan 0.000 0.469 308 M N 1.008 120.671 119.600 0.104 0.000 2.086 308 M HA 0.008 4.487 4.480 -0.001 0.000 0.261 308 M C 2.303 178.745 176.300 0.237 0.000 1.067 308 M CA 1.530 56.917 55.300 0.144 0.000 1.116 308 M CB -0.660 32.056 32.600 0.194 0.000 1.348 308 M HN 0.314 nan 8.290 nan 0.000 0.407 309 L N 0.013 121.394 121.223 0.263 0.000 2.042 309 L HA -0.266 4.074 4.340 -0.001 0.000 0.210 309 L C 2.164 179.215 176.870 0.302 0.000 1.076 309 L CA 1.054 56.090 54.840 0.327 0.000 0.749 309 L CB -0.889 41.285 42.059 0.191 0.000 0.893 309 L HN 0.394 nan 8.230 nan 0.000 0.432 310 N N -0.275 118.537 118.700 0.186 0.000 2.244 310 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 310 N C 1.778 177.352 175.510 0.106 0.000 1.016 310 N CA 1.605 54.755 53.050 0.167 0.000 0.866 310 N CB -0.113 38.447 38.487 0.123 0.000 0.980 310 N HN 0.345 nan 8.380 nan 0.000 0.430 311 S N -0.934 114.754 115.700 -0.020 0.000 2.634 311 S HA 0.294 4.764 4.470 -0.001 0.000 0.221 311 S C 1.346 175.611 174.600 -0.558 0.000 0.952 311 S CA 0.251 58.353 58.200 -0.164 0.000 0.930 311 S CB 0.076 63.213 63.200 -0.106 0.000 0.780 311 S HN 0.363 nan 8.310 nan 0.000 0.498 312 G N 2.257 110.514 108.800 -0.905 0.000 2.186 312 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.266 312 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.266 312 G C 0.182 174.216 174.900 -1.443 0.000 0.982 312 G CA 0.288 44.194 45.100 -1.989 0.000 0.670 312 G HN 0.677 nan 8.290 nan 0.000 0.533 313 N N 0.712 119.038 118.700 -0.623 0.000 2.670 313 N HA 0.424 5.164 4.740 -0.001 0.000 0.296 313 N C -0.147 175.316 175.510 -0.078 0.000 1.216 313 N CA 0.380 53.246 53.050 -0.307 0.000 1.123 313 N CB -1.134 37.294 38.487 -0.099 0.000 1.459 313 N HN 0.809 nan 8.380 nan 0.000 0.509 314 F N -0.948 118.951 119.950 -0.084 0.000 2.769 314 F HA 0.346 4.873 4.527 -0.000 0.000 0.313 314 F C -0.484 175.343 175.800 0.046 0.000 1.146 314 F CA -1.447 56.574 58.000 0.035 0.000 0.934 314 F CB 0.494 39.579 39.000 0.141 0.000 1.283 314 F HN -0.077 nan 8.300 nan 0.000 0.443 315 K N 2.158 122.818 120.400 0.434 0.000 2.436 315 K HA 0.180 4.500 4.320 -0.001 0.000 0.282 315 K C -0.900 175.967 176.600 0.446 0.000 1.044 315 K CA -0.076 56.384 56.287 0.288 0.000 1.028 315 K CB 0.433 33.043 32.500 0.183 0.000 0.919 315 K HN 0.654 nan 8.250 nan 0.000 0.474 316 K N 2.538 123.071 120.400 0.222 0.000 2.201 316 K HA 0.266 4.586 4.320 -0.001 0.000 0.278 316 K C -0.076 176.664 176.600 0.235 0.000 1.027 316 K CA -0.183 56.236 56.287 0.220 0.000 0.909 316 K CB 1.907 34.435 32.500 0.046 0.000 1.062 316 K HN 0.781 nan 8.250 nan 0.000 0.465 317 T N 1.065 115.833 114.554 0.357 0.000 2.691 317 T HA 0.195 4.544 4.350 -0.001 0.000 0.273 317 T C -1.651 173.262 174.700 0.356 0.000 2.019 317 T CA -0.697 61.563 62.100 0.267 0.000 0.936 317 T CB 0.208 69.201 68.868 0.209 0.000 2.190 317 T HN 0.424 nan 8.240 nan 0.000 0.409 318 Q N 0.910 120.885 119.800 0.291 0.000 2.266 318 Q HA 0.811 5.151 4.340 -0.001 0.000 0.261 318 Q C -0.407 175.865 176.000 0.453 0.000 0.985 318 Q CA -0.595 55.439 55.803 0.385 0.000 0.873 318 Q CB 1.801 30.783 28.738 0.406 0.000 1.306 318 Q HN 0.719 nan 8.270 nan 0.000 0.447 319 I N -1.475 119.326 120.570 0.386 0.000 2.865 319 I HA 0.689 4.858 4.170 -0.001 0.000 0.302 319 I C -1.511 174.562 176.117 -0.073 0.000 1.140 319 I CA -1.377 60.041 61.300 0.197 0.000 1.021 319 I CB 1.936 39.880 38.000 -0.093 0.000 1.233 319 I HN 0.564 nan 8.210 nan 0.000 0.427 320 L N 6.825 127.834 121.223 -0.357 0.000 2.406 320 L HA 0.697 5.037 4.340 -0.001 0.000 0.270 320 L C -1.269 175.443 176.870 -0.264 0.000 0.982 320 L CA -0.446 54.013 54.840 -0.635 0.000 0.843 320 L CB 1.364 42.491 42.059 -1.554 0.000 1.225 320 L HN 0.809 nan 8.230 nan 0.000 0.412 321 L N 2.369 123.547 121.223 -0.075 0.000 2.322 321 L HA 1.153 5.493 4.340 -0.001 0.000 0.252 321 L C -0.457 176.293 176.870 -0.199 0.000 1.055 321 L CA -0.525 54.316 54.840 0.002 0.000 0.849 321 L CB 2.062 44.100 42.059 -0.035 0.000 1.446 321 L HN 0.594 nan 8.230 nan 0.000 0.416 322 G N -0.400 108.106 108.800 -0.489 0.000 2.342 322 G HA2 0.549 4.509 3.960 -0.001 0.000 0.297 322 G HA3 0.549 4.509 3.960 -0.001 0.000 0.297 322 G C -1.532 173.050 174.900 -0.529 0.000 1.313 322 G CA 0.019 44.434 45.100 -1.141 0.000 0.830 322 G HN 1.381 nan 8.290 nan 0.000 0.506 323 V N -2.608 117.120 119.914 -0.311 0.000 3.182 323 V HA 0.847 4.966 4.120 -0.001 0.000 0.308 323 V C -1.008 175.164 176.094 0.131 0.000 1.240 323 V CA -1.410 60.924 62.300 0.057 0.000 1.063 323 V CB 1.902 33.788 31.823 0.106 0.000 1.076 323 V HN 0.747 nan 8.190 nan 0.000 0.446 324 N N 0.514 119.313 118.700 0.164 0.000 2.477 324 N HA 0.439 5.179 4.740 -0.001 0.000 0.284 324 N C 0.456 175.918 175.510 -0.080 0.000 1.182 324 N CA -0.580 52.514 53.050 0.073 0.000 0.949 324 N CB 1.879 40.526 38.487 0.265 0.000 1.204 324 N HN 0.890 nan 8.380 nan 0.000 0.526 325 K N -0.083 120.167 120.400 -0.249 0.000 2.025 325 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 325 K C -0.568 176.135 176.600 0.172 0.000 1.049 325 K CA 1.193 57.491 56.287 0.018 0.000 0.933 325 K CB 0.203 32.727 32.500 0.039 0.000 0.714 325 K HN 0.487 nan 8.250 nan 0.000 0.438 326 D N 1.380 121.854 120.400 0.123 0.000 2.590 326 D HA 0.036 4.675 4.640 -0.001 0.000 0.280 326 D C 0.264 176.655 176.300 0.153 0.000 1.197 326 D CA -0.049 54.034 54.000 0.138 0.000 0.967 326 D CB 1.310 42.165 40.800 0.092 0.000 0.987 326 D HN 0.167 nan 8.370 nan 0.000 0.508 327 E N 0.806 121.121 120.200 0.191 0.000 2.047 327 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 327 E C 2.125 178.865 176.600 0.233 0.000 0.987 327 E CA 0.699 57.235 56.400 0.226 0.000 0.799 327 E CB -0.099 29.729 29.700 0.213 0.000 0.752 327 E HN 0.443 nan 8.360 nan 0.000 0.449 328 G N 1.921 110.849 108.800 0.214 0.000 2.440 328 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.218 328 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.218 328 G C 1.769 176.793 174.900 0.205 0.000 1.154 328 G CA 2.010 47.256 45.100 0.243 0.000 0.767 328 G HN 0.400 nan 8.290 nan 0.000 0.552 329 S N 0.670 116.448 115.700 0.130 0.000 2.393 329 S HA -0.340 4.129 4.470 -0.001 0.000 0.234 329 S C 2.110 176.642 174.600 -0.112 0.000 1.064 329 S CA 1.856 60.080 58.200 0.040 0.000 1.088 329 S CB -0.827 62.314 63.200 -0.098 0.000 0.939 329 S HN 0.373 nan 8.310 nan 0.000 0.448 330 F N 1.731 121.476 119.950 -0.341 0.000 2.202 330 F HA 0.047 4.574 4.527 -0.001 0.000 0.301 330 F C 1.609 177.015 175.800 -0.657 0.000 1.082 330 F CA 1.270 58.897 58.000 -0.621 0.000 1.313 330 F CB -0.265 38.212 39.000 -0.871 0.000 1.024 330 F HN 0.200 nan 8.300 nan 0.000 0.495 331 F N -0.809 119.059 119.950 -0.137 0.000 2.743 331 F HA 0.077 4.604 4.527 -0.001 0.000 0.297 331 F C 1.789 177.482 175.800 -0.179 0.000 1.131 331 F CA 0.378 58.273 58.000 -0.175 0.000 1.426 331 F CB -0.503 38.388 39.000 -0.182 0.000 1.116 331 F HN -0.102 nan 8.300 nan 0.000 0.583 332 L N -0.841 120.298 121.223 -0.141 0.000 2.162 332 L HA -0.083 4.257 4.340 -0.001 0.000 0.205 332 L C 2.359 178.984 176.870 -0.408 0.000 1.086 332 L CA 0.337 54.876 54.840 -0.503 0.000 0.778 332 L CB -0.475 40.920 42.059 -1.106 0.000 0.928 332 L HN 0.132 nan 8.230 nan 0.000 0.446 333 L N -0.955 120.207 121.223 -0.101 0.000 2.042 333 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 333 L C 2.274 179.212 176.870 0.114 0.000 1.076 333 L CA 2.053 57.018 54.840 0.209 0.000 0.749 333 L CB -0.607 41.562 42.059 0.183 0.000 0.893 333 L HN 0.127 nan 8.230 nan 0.000 0.432 334 Y N -0.825 119.356 120.300 -0.198 0.000 2.395 334 Y HA 0.167 4.717 4.550 -0.001 0.000 0.293 334 Y C 2.268 178.102 175.900 -0.109 0.000 1.123 334 Y CA 1.013 59.011 58.100 -0.170 0.000 1.227 334 Y CB -0.231 38.062 38.460 -0.278 0.000 1.012 334 Y HN 0.284 nan 8.280 nan 0.000 0.552 335 G N -1.494 107.339 108.800 0.055 0.000 2.775 335 G HA2 0.310 4.269 3.960 -0.001 0.000 0.198 335 G HA3 0.310 4.269 3.960 -0.001 0.000 0.198 335 G C 0.349 175.270 174.900 0.035 0.000 1.121 335 G CA 0.276 45.392 45.100 0.026 0.000 0.686 335 G HN 0.280 nan 8.290 nan 0.000 0.782 336 A N 2.267 125.098 122.820 0.019 0.000 2.498 336 A HA 0.525 4.844 4.320 -0.001 0.000 0.239 336 A C -1.997 175.737 177.584 0.249 0.000 1.068 336 A CA -0.618 51.479 52.037 0.101 0.000 0.766 336 A CB -0.174 18.842 19.000 0.027 0.000 1.003 336 A HN 0.221 nan 8.150 nan 0.000 0.497 337 P HA 0.328 nan 4.420 nan 0.000 0.276 337 P C 0.724 178.092 177.300 0.113 0.000 1.253 337 P CA 1.055 64.233 63.100 0.130 0.000 0.766 337 P CB 1.080 32.821 31.700 0.068 0.000 0.845 338 G N 2.910 111.730 108.800 0.034 0.000 2.428 338 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.199 338 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.199 338 G C -0.347 174.363 174.900 -0.317 0.000 1.005 338 G CA -0.584 44.402 45.100 -0.190 0.000 0.671 338 G HN 0.391 nan 8.290 nan 0.000 0.485 339 F N 2.824 122.692 119.950 -0.136 0.000 2.410 339 F HA 0.702 5.229 4.527 -0.001 0.000 0.348 339 F C 0.662 176.436 175.800 -0.042 0.000 1.106 339 F CA -0.388 57.490 58.000 -0.203 0.000 1.163 339 F CB 1.893 40.820 39.000 -0.121 0.000 1.129 339 F HN 0.037 nan 8.300 nan 0.000 0.516 340 S N 2.162 117.933 115.700 0.118 0.000 2.536 340 S HA 0.281 4.750 4.470 -0.001 0.000 0.287 340 S C 0.730 175.507 174.600 0.294 0.000 1.101 340 S CA -1.194 57.106 58.200 0.167 0.000 0.950 340 S CB 2.202 65.433 63.200 0.052 0.000 1.056 340 S HN 0.724 nan 8.310 nan 0.000 0.481 341 K N 0.913 121.452 120.400 0.231 0.000 2.152 341 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 341 K C -0.064 176.600 176.600 0.106 0.000 1.048 341 K CA 1.504 57.853 56.287 0.103 0.000 0.933 341 K CB 0.004 32.262 32.500 -0.404 0.000 0.721 341 K HN 0.492 nan 8.250 nan 0.000 0.447 342 D N 0.234 120.672 120.400 0.063 0.000 2.342 342 D HA 0.025 4.664 4.640 -0.001 0.000 0.221 342 D C -0.101 176.241 176.300 0.069 0.000 1.101 342 D CA 0.128 54.154 54.000 0.043 0.000 0.837 342 D CB 0.665 41.459 40.800 -0.009 0.000 0.938 342 D HN 0.189 nan 8.370 nan 0.000 0.508 343 S N -1.264 114.493 115.700 0.096 0.000 2.709 343 S HA 0.366 4.836 4.470 -0.001 0.000 0.302 343 S C 0.785 175.382 174.600 -0.005 0.000 1.127 343 S CA -0.799 57.410 58.200 0.015 0.000 0.905 343 S CB 2.188 65.350 63.200 -0.064 0.000 1.151 343 S HN -0.134 nan 8.310 nan 0.000 0.510 344 E N 0.656 120.813 120.200 -0.071 0.000 2.418 344 E HA 0.057 4.406 4.350 -0.001 0.000 0.197 344 E C -0.438 175.890 176.600 -0.453 0.000 1.026 344 E CA 0.397 56.736 56.400 -0.103 0.000 0.862 344 E CB -0.243 29.424 29.700 -0.055 0.000 0.799 344 E HN 0.668 nan 8.360 nan 0.000 0.518 345 S N 1.256 116.631 115.700 -0.542 0.000 3.608 345 S HA -0.169 4.300 4.470 -0.001 0.000 0.382 345 S C -0.315 173.895 174.600 -0.650 0.000 0.945 345 S CA 0.659 58.394 58.200 -0.775 0.000 1.256 345 S CB -1.066 61.260 63.200 -1.458 0.000 0.913 345 S HN 0.267 nan 8.310 nan 0.000 0.518 346 K N 1.026 121.188 120.400 -0.397 0.000 2.322 346 K HA 0.358 4.678 4.320 -0.001 0.000 0.283 346 K C 0.331 176.733 176.600 -0.329 0.000 1.042 346 K CA -0.260 55.851 56.287 -0.292 0.000 0.958 346 K CB 0.469 32.860 32.500 -0.181 0.000 0.984 346 K HN 0.213 nan 8.250 nan 0.000 0.473 347 I N 2.132 122.526 120.570 -0.293 0.000 2.460 347 I HA 0.125 4.295 4.170 -0.001 0.000 0.298 347 I C 0.780 176.826 176.117 -0.118 0.000 0.989 347 I CA -0.517 60.632 61.300 -0.252 0.000 1.173 347 I CB 1.397 39.246 38.000 -0.252 0.000 1.338 347 I HN 0.653 nan 8.210 nan 0.000 0.456 348 S N 5.249 120.900 115.700 -0.080 0.000 2.672 348 S HA 0.430 4.900 4.470 -0.001 0.000 0.276 348 S C 1.004 175.621 174.600 0.029 0.000 1.207 348 S CA -0.551 57.625 58.200 -0.040 0.000 1.002 348 S CB 1.864 65.042 63.200 -0.037 0.000 0.998 348 S HN 0.538 nan 8.310 nan 0.000 0.542 349 R N 0.715 121.223 120.500 0.013 0.000 2.105 349 R HA -0.052 4.287 4.340 -0.001 0.000 0.239 349 R C 1.878 178.259 176.300 0.135 0.000 1.135 349 R CA 1.778 57.916 56.100 0.064 0.000 0.967 349 R CB -0.947 29.370 30.300 0.028 0.000 0.861 349 R HN 0.830 nan 8.270 nan 0.000 0.442 350 E N 0.138 120.386 120.200 0.079 0.000 2.017 350 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 350 E C 1.667 178.316 176.600 0.081 0.000 0.997 350 E CA 1.727 58.170 56.400 0.072 0.000 0.804 350 E CB -0.306 29.416 29.700 0.037 0.000 0.757 350 E HN 0.270 nan 8.360 nan 0.000 0.448 351 D N -0.561 119.877 120.400 0.063 0.000 2.144 351 D HA -0.136 4.504 4.640 -0.001 0.000 0.199 351 D C 1.726 178.087 176.300 0.101 0.000 0.984 351 D CA 0.496 54.530 54.000 0.056 0.000 0.834 351 D CB -0.285 40.514 40.800 -0.001 0.000 0.955 351 D HN 0.097 nan 8.370 nan 0.000 0.465 352 F N 1.154 121.103 119.950 -0.002 0.000 2.069 352 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 352 F C 2.399 178.227 175.800 0.047 0.000 1.113 352 F CA 1.471 59.485 58.000 0.023 0.000 1.214 352 F CB -0.344 38.651 39.000 -0.010 0.000 0.978 352 F HN -0.156 nan 8.300 nan 0.000 0.474 353 M N -0.312 119.374 119.600 0.143 0.000 2.082 353 M HA -0.271 4.209 4.480 -0.001 0.000 0.258 353 M C 2.277 178.554 176.300 -0.038 0.000 1.069 353 M CA 2.139 57.468 55.300 0.048 0.000 1.102 353 M CB -0.557 32.121 32.600 0.131 0.000 1.336 353 M HN 0.112 nan 8.290 nan 0.000 0.404 354 S N 0.142 115.842 115.700 -0.000 0.000 2.400 354 S HA -0.103 4.367 4.470 -0.001 0.000 0.232 354 S C 1.914 176.496 174.600 -0.031 0.000 1.025 354 S CA 1.302 59.501 58.200 -0.002 0.000 0.993 354 S CB -0.778 62.438 63.200 0.026 0.000 0.808 354 S HN 0.716 nan 8.310 nan 0.000 0.478 355 G N 1.638 110.399 108.800 -0.065 0.000 2.404 355 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.215 355 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.215 355 G C 1.624 176.429 174.900 -0.159 0.000 1.174 355 G CA 1.017 46.068 45.100 -0.082 0.000 0.780 355 G HN 0.561 nan 8.290 nan 0.000 0.537 356 V N -0.277 119.471 119.914 -0.277 0.000 2.720 356 V HA -0.009 4.111 4.120 -0.001 0.000 0.256 356 V C 2.421 178.445 176.094 -0.118 0.000 1.082 356 V CA 2.566 64.736 62.300 -0.217 0.000 1.101 356 V CB -0.432 31.250 31.823 -0.234 0.000 0.693 356 V HN 0.279 nan 8.190 nan 0.000 0.479 357 K N 0.202 120.546 120.400 -0.093 0.000 2.031 357 K HA 0.037 4.357 4.320 -0.001 0.000 0.205 357 K C 1.798 178.359 176.600 -0.066 0.000 1.049 357 K CA 1.723 57.969 56.287 -0.068 0.000 0.939 357 K CB -0.524 31.954 32.500 -0.037 0.000 0.717 357 K HN 0.452 nan 8.250 nan 0.000 0.438 358 L N 0.646 121.842 121.223 -0.045 0.000 2.093 358 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 358 L C 2.212 179.062 176.870 -0.035 0.000 1.085 358 L CA 1.523 56.350 54.840 -0.022 0.000 0.755 358 L CB -0.893 41.165 42.059 -0.002 0.000 0.904 358 L HN 0.107 nan 8.230 nan 0.000 0.435 359 S N -1.099 114.565 115.700 -0.059 0.000 2.368 359 S HA -0.052 4.418 4.470 -0.001 0.000 0.225 359 S C 1.044 175.572 174.600 -0.120 0.000 1.030 359 S CA 0.909 59.067 58.200 -0.069 0.000 0.999 359 S CB -0.037 63.110 63.200 -0.088 0.000 0.844 359 S HN 0.178 nan 8.310 nan 0.000 0.459 360 V N 3.395 123.219 119.914 -0.151 0.000 2.294 360 V HA 0.187 4.307 4.120 -0.001 0.000 0.258 360 V C -1.546 174.394 176.094 -0.257 0.000 1.080 360 V CA -1.374 60.774 62.300 -0.254 0.000 1.128 360 V CB 0.606 32.286 31.823 -0.238 0.000 1.323 360 V HN 0.245 nan 8.190 nan 0.000 0.498 361 P HA -0.234 nan 4.420 nan 0.000 0.217 361 P C 1.260 178.197 177.300 -0.604 0.000 1.151 361 P CA 1.846 64.767 63.100 -0.299 0.000 0.849 361 P CB 0.039 31.649 31.700 -0.150 0.000 0.787 362 H N -0.532 118.227 119.070 -0.519 0.000 2.547 362 H HA 0.361 4.917 4.556 -0.001 0.000 0.272 362 H C 0.762 175.922 175.328 -0.281 0.000 0.989 362 H CA 0.114 55.879 56.048 -0.472 0.000 1.214 362 H CB -1.083 28.543 29.762 -0.226 0.000 1.389 362 H HN 0.013 nan 8.280 nan 0.000 0.577 363 A N 2.512 125.017 122.820 -0.524 0.000 2.462 363 A HA 0.176 4.495 4.320 -0.001 0.000 0.243 363 A C 0.440 177.900 177.584 -0.207 0.000 1.076 363 A CA -0.114 51.707 52.037 -0.359 0.000 0.773 363 A CB 0.023 18.821 19.000 -0.336 0.000 1.010 363 A HN 0.728 nan 8.150 nan 0.000 0.493 364 N N 1.323 119.940 118.700 -0.139 0.000 2.418 364 N HA 0.233 4.973 4.740 -0.001 0.000 0.283 364 N C 0.017 175.489 175.510 -0.064 0.000 1.267 364 N CA -0.153 52.847 53.050 -0.083 0.000 0.975 364 N CB 0.090 38.543 38.487 -0.058 0.000 1.167 364 N HN 0.480 nan 8.380 nan 0.000 0.581 365 D N -0.765 119.614 120.400 -0.035 0.000 2.106 365 D HA -0.152 4.488 4.640 -0.001 0.000 0.191 365 D C 1.662 177.960 176.300 -0.003 0.000 0.997 365 D CA 1.109 55.100 54.000 -0.014 0.000 0.834 365 D CB -0.328 40.470 40.800 -0.003 0.000 0.956 365 D HN 0.428 nan 8.370 nan 0.000 0.448 366 L N 0.454 121.674 121.223 -0.005 0.000 2.081 366 L HA -0.051 4.289 4.340 -0.001 0.000 0.212 366 L C 2.110 178.993 176.870 0.021 0.000 1.080 366 L CA 2.033 56.880 54.840 0.013 0.000 0.754 366 L CB -0.902 41.159 42.059 0.003 0.000 0.893 366 L HN 0.116 nan 8.230 nan 0.000 0.433 367 G N -0.823 107.964 108.800 -0.022 0.000 2.404 367 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.215 367 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.215 367 G C 1.578 176.481 174.900 0.004 0.000 1.174 367 G CA 0.885 45.963 45.100 -0.038 0.000 0.780 367 G HN 0.429 nan 8.290 nan 0.000 0.537 368 L N 0.479 121.693 121.223 -0.015 0.000 2.079 368 L HA -0.078 4.262 4.340 -0.001 0.000 0.210 368 L C 2.496 179.410 176.870 0.073 0.000 1.081 368 L CA 1.104 55.950 54.840 0.010 0.000 0.752 368 L CB -0.356 41.697 42.059 -0.011 0.000 0.896 368 L HN 0.083 nan 8.230 nan 0.000 0.433 369 D N 0.179 120.626 120.400 0.079 0.000 2.084 369 D HA -0.153 4.486 4.640 -0.001 0.000 0.194 369 D C 2.265 178.652 176.300 0.146 0.000 0.990 369 D CA 1.562 55.630 54.000 0.113 0.000 0.826 369 D CB -0.116 40.734 40.800 0.083 0.000 0.971 369 D HN 0.284 nan 8.370 nan 0.000 0.453 370 A N 0.714 123.632 122.820 0.164 0.000 1.873 370 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 370 A C 2.585 180.256 177.584 0.145 0.000 1.193 370 A CA 1.976 54.153 52.037 0.234 0.000 0.629 370 A CB -1.006 18.258 19.000 0.441 0.000 0.826 370 A HN 0.150 nan 8.150 nan 0.000 0.447 371 V N -0.203 119.840 119.914 0.215 0.000 2.231 371 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 371 V C 2.755 178.953 176.094 0.173 0.000 1.054 371 V CA 2.692 65.075 62.300 0.138 0.000 1.015 371 V CB -1.575 30.356 31.823 0.180 0.000 0.638 371 V HN 0.648 nan 8.190 nan 0.000 0.444 372 T N 0.557 115.244 114.554 0.222 0.000 2.635 372 T HA -0.276 4.074 4.350 -0.001 0.000 0.267 372 T C 1.899 176.786 174.700 0.310 0.000 1.040 372 T CA 2.167 64.474 62.100 0.344 0.000 1.156 372 T CB -0.500 68.588 68.868 0.367 0.000 0.863 372 T HN 0.333 nan 8.240 nan 0.000 0.430 373 L N 0.958 122.356 121.223 0.293 0.000 2.079 373 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 373 L C 2.424 179.371 176.870 0.128 0.000 1.081 373 L CA 1.813 56.866 54.840 0.356 0.000 0.752 373 L CB -0.553 41.621 42.059 0.191 0.000 0.896 373 L HN 0.135 nan 8.230 nan 0.000 0.433 374 Q N -1.828 117.901 119.800 -0.119 0.000 2.378 374 Q HA -0.091 4.249 4.340 -0.001 0.000 0.205 374 Q C 0.479 176.185 176.000 -0.489 0.000 0.954 374 Q CA 1.315 56.857 55.803 -0.435 0.000 0.901 374 Q CB 0.020 28.154 28.738 -1.007 0.000 0.981 374 Q HN 0.693 nan 8.270 nan 0.000 0.483 375 Y N -1.197 119.050 120.300 -0.089 0.000 2.706 375 Y HA 0.372 4.921 4.550 -0.001 0.000 0.255 375 Y C -0.511 175.325 175.900 -0.107 0.000 1.163 375 Y CA -0.335 57.761 58.100 -0.006 0.000 1.174 375 Y CB 1.163 39.726 38.460 0.170 0.000 1.200 375 Y HN -0.215 nan 8.280 nan 0.000 0.544 376 T N 0.259 114.669 114.554 -0.240 0.000 2.824 376 T HA 0.108 4.457 4.350 -0.001 0.000 0.282 376 T C -1.098 173.121 174.700 -0.802 0.000 0.993 376 T CA -0.705 60.980 62.100 -0.690 0.000 0.967 376 T CB 1.390 69.532 68.868 -1.210 0.000 0.960 376 T HN -0.026 nan 8.240 nan 0.000 0.441 377 D N 1.998 122.029 120.400 -0.616 0.000 2.453 377 D HA 0.120 4.759 4.640 -0.001 0.000 0.223 377 D C 0.266 176.318 176.300 -0.412 0.000 1.183 377 D CA -0.722 53.044 54.000 -0.389 0.000 0.933 377 D CB 0.246 40.909 40.800 -0.230 0.000 1.038 377 D HN 0.612 nan 8.370 nan 0.000 0.513 378 W N 2.648 123.903 121.300 -0.075 0.000 2.538 378 W HA -0.041 4.619 4.660 -0.001 0.000 0.254 378 W C 2.081 178.567 176.519 -0.055 0.000 1.249 378 W CA -0.107 57.198 57.345 -0.066 0.000 1.253 378 W CB -0.187 29.239 29.460 -0.056 0.000 1.130 378 W HN 0.408 nan 8.180 nan 0.000 0.618 379 M N 0.398 120.058 119.600 0.100 0.000 2.563 379 M HA -0.001 4.479 4.480 -0.001 0.000 0.231 379 M C 0.039 176.344 176.300 0.008 0.000 1.136 379 M CA 1.103 56.437 55.300 0.057 0.000 1.026 379 M CB 0.277 32.896 32.600 0.033 0.000 1.597 379 M HN -0.230 nan 8.290 nan 0.000 0.495 380 D N -0.158 120.224 120.400 -0.030 0.000 3.964 380 D HA -0.063 4.577 4.640 -0.001 0.000 0.269 380 D C 0.084 176.305 176.300 -0.131 0.000 1.500 380 D CA 0.227 54.188 54.000 -0.064 0.000 0.770 380 D CB -0.121 40.636 40.800 -0.071 0.000 1.356 380 D HN 0.464 nan 8.370 nan 0.000 0.755 381 D N -0.620 119.703 120.400 -0.128 0.000 2.411 381 D HA -0.141 4.499 4.640 -0.001 0.000 0.226 381 D C 0.350 176.527 176.300 -0.205 0.000 0.988 381 D CA 0.412 54.264 54.000 -0.247 0.000 0.938 381 D CB 0.091 40.834 40.800 -0.096 0.000 0.883 381 D HN 0.141 nan 8.370 nan 0.000 0.525 382 N N 0.172 118.793 118.700 -0.131 0.000 2.291 382 N HA 0.020 4.759 4.740 -0.001 0.000 0.244 382 N C -0.749 174.696 175.510 -0.108 0.000 1.216 382 N CA -0.263 52.722 53.050 -0.108 0.000 0.879 382 N CB 0.271 38.724 38.487 -0.057 0.000 1.167 382 N HN 0.336 nan 8.380 nan 0.000 0.515 383 N N -0.400 118.222 118.700 -0.131 0.000 2.408 383 N HA 0.120 4.860 4.740 -0.001 0.000 0.257 383 N C 1.453 176.893 175.510 -0.117 0.000 1.064 383 N CA -0.227 52.759 53.050 -0.107 0.000 0.952 383 N CB 0.965 39.393 38.487 -0.099 0.000 1.093 383 N HN 0.049 nan 8.380 nan 0.000 0.490 384 G N 4.197 112.937 108.800 -0.100 0.000 2.442 384 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.219 384 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.219 384 G C 1.307 176.146 174.900 -0.103 0.000 1.141 384 G CA 0.597 45.630 45.100 -0.112 0.000 0.763 384 G HN 0.614 nan 8.290 nan 0.000 0.554 385 I N 0.839 121.366 120.570 -0.071 0.000 2.286 385 I HA -0.045 4.124 4.170 -0.001 0.000 0.245 385 I C 2.560 178.668 176.117 -0.014 0.000 1.104 385 I CA 1.004 62.284 61.300 -0.034 0.000 1.397 385 I CB -1.009 36.986 38.000 -0.009 0.000 1.072 385 I HN 0.212 nan 8.210 nan 0.000 0.417 386 K N 0.795 121.166 120.400 -0.047 0.000 2.002 386 K HA -0.151 4.169 4.320 -0.001 0.000 0.209 386 K C 1.881 178.442 176.600 -0.065 0.000 1.048 386 K CA 1.302 57.554 56.287 -0.058 0.000 0.930 386 K CB -0.210 32.219 32.500 -0.118 0.000 0.714 386 K HN 0.301 nan 8.250 nan 0.000 0.438 387 N N 0.906 119.522 118.700 -0.140 0.000 2.149 387 N HA -0.199 4.541 4.740 -0.001 0.000 0.188 387 N C 1.784 177.409 175.510 0.191 0.000 1.019 387 N CA 0.957 53.927 53.050 -0.133 0.000 0.857 387 N CB -0.220 38.172 38.487 -0.158 0.000 0.997 387 N HN 0.221 nan 8.380 nan 0.000 0.426 388 R N 1.354 121.899 120.500 0.075 0.000 2.064 388 R HA -0.097 4.243 4.340 -0.001 0.000 0.228 388 R C 0.924 177.389 176.300 0.275 0.000 1.144 388 R CA 1.495 57.663 56.100 0.114 0.000 0.932 388 R CB -0.314 29.948 30.300 -0.063 0.000 0.833 388 R HN 0.086 nan 8.270 nan 0.000 0.429 389 D N -0.305 120.223 120.400 0.213 0.000 2.149 389 D HA -0.114 4.525 4.640 -0.001 0.000 0.198 389 D C 1.766 178.221 176.300 0.258 0.000 0.990 389 D CA 1.516 55.660 54.000 0.240 0.000 0.839 389 D CB -0.659 40.249 40.800 0.180 0.000 0.948 389 D HN 0.542 nan 8.370 nan 0.000 0.460 390 G N 0.894 109.854 108.800 0.266 0.000 2.446 390 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 390 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 390 G C 1.590 176.693 174.900 0.339 0.000 1.168 390 G CA 0.503 45.813 45.100 0.350 0.000 0.771 390 G HN 0.214 nan 8.290 nan 0.000 0.551 391 L N 1.011 122.474 121.223 0.400 0.000 2.046 391 L HA -0.031 4.309 4.340 -0.001 0.000 0.208 391 L C 2.341 179.297 176.870 0.143 0.000 1.077 391 L CA 2.208 57.163 54.840 0.192 0.000 0.747 391 L CB -0.611 41.617 42.059 0.282 0.000 0.896 391 L HN 0.235 nan 8.230 nan 0.000 0.432 392 D N -0.583 119.963 120.400 0.243 0.000 2.116 392 D HA -0.243 4.396 4.640 -0.001 0.000 0.193 392 D C 1.596 177.985 176.300 0.149 0.000 0.998 392 D CA 1.648 55.778 54.000 0.215 0.000 0.836 392 D CB 0.070 41.047 40.800 0.295 0.000 0.951 392 D HN 0.366 nan 8.370 nan 0.000 0.449 393 D N 0.056 120.552 120.400 0.159 0.000 2.117 393 D HA -0.097 4.543 4.640 -0.001 0.000 0.197 393 D C 2.284 178.584 176.300 -0.000 0.000 0.987 393 D CA 0.475 54.567 54.000 0.153 0.000 0.829 393 D CB -0.339 40.633 40.800 0.287 0.000 0.961 393 D HN 0.368 nan 8.370 nan 0.000 0.460 394 I N 0.314 120.754 120.570 -0.216 0.000 2.127 394 I HA -0.268 3.902 4.170 -0.001 0.000 0.241 394 I C 2.327 178.329 176.117 -0.192 0.000 1.075 394 I CA 0.811 61.896 61.300 -0.359 0.000 1.334 394 I CB -0.327 37.458 38.000 -0.359 0.000 1.040 394 I HN -0.068 nan 8.210 nan 0.000 0.405 395 V N 1.054 120.913 119.914 -0.092 0.000 2.392 395 V HA -0.228 3.892 4.120 -0.001 0.000 0.249 395 V C 2.522 178.578 176.094 -0.064 0.000 1.059 395 V CA 2.176 64.449 62.300 -0.045 0.000 1.051 395 V CB -1.418 30.443 31.823 0.063 0.000 0.658 395 V HN 0.601 nan 8.190 nan 0.000 0.455 396 G N -0.364 108.432 108.800 -0.006 0.000 2.394 396 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.215 396 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.215 396 G C 1.224 176.078 174.900 -0.077 0.000 1.165 396 G CA 0.828 45.938 45.100 0.017 0.000 0.784 396 G HN 0.513 nan 8.290 nan 0.000 0.535 397 D N 0.050 120.390 120.400 -0.100 0.000 2.097 397 D HA -0.091 4.549 4.640 -0.001 0.000 0.197 397 D C 2.065 178.061 176.300 -0.507 0.000 0.984 397 D CA 1.333 55.241 54.000 -0.153 0.000 0.826 397 D CB -0.490 40.357 40.800 0.078 0.000 0.973 397 D HN 0.417 nan 8.370 nan 0.000 0.460 398 H N 1.166 119.616 119.070 -1.034 0.000 2.353 398 H HA 0.011 4.567 4.556 -0.001 0.000 0.300 398 H C 1.460 176.394 175.328 -0.657 0.000 1.090 398 H CA 1.707 56.979 56.048 -1.294 0.000 1.327 398 H CB 0.074 28.856 29.762 -1.634 0.000 1.383 398 H HN -0.013 nan 8.280 nan 0.000 0.508 399 N N -0.749 117.518 118.700 -0.721 0.000 2.392 399 N HA 0.011 4.750 4.740 -0.001 0.000 0.177 399 N C 0.942 176.200 175.510 -0.419 0.000 1.066 399 N CA 0.924 53.521 53.050 -0.755 0.000 0.895 399 N CB 1.289 39.017 38.487 -1.265 0.000 0.988 399 N HN 0.275 nan 8.380 nan 0.000 0.457 400 V N 0.249 120.007 119.914 -0.260 0.000 3.442 400 V HA 0.154 4.273 4.120 -0.001 0.000 0.205 400 V C 2.004 178.071 176.094 -0.044 0.000 1.320 400 V CA -0.100 62.165 62.300 -0.059 0.000 1.306 400 V CB 0.184 32.049 31.823 0.070 0.000 1.267 400 V HN -0.080 nan 8.190 nan 0.000 0.538 401 I N 0.641 121.198 120.570 -0.022 0.000 2.099 401 I HA -0.302 3.867 4.170 -0.001 0.000 0.239 401 I C 2.570 178.683 176.117 -0.007 0.000 1.066 401 I CA 2.067 63.373 61.300 0.010 0.000 1.324 401 I CB -0.447 37.592 38.000 0.065 0.000 1.037 401 I HN 0.401 nan 8.210 nan 0.000 0.401 402 c N 0.594 119.180 118.600 -0.024 0.000 2.446 402 c HA -0.048 4.522 4.570 -0.001 0.000 0.277 402 c C 0.312 174.412 174.090 0.016 0.000 1.275 402 c CA 0.726 57.077 56.329 0.036 0.000 1.727 402 c CB -1.921 40.650 42.510 0.102 0.000 2.010 402 c HN 0.354 nan 8.230 nan 0.000 0.486 403 P HA -0.125 nan 4.420 nan 0.000 0.215 403 P C 1.795 179.103 177.300 0.014 0.000 1.153 403 P CA 1.172 64.220 63.100 -0.086 0.000 0.853 403 P CB -0.225 31.326 31.700 -0.248 0.000 0.788 404 L N -1.713 119.499 121.223 -0.018 0.000 2.017 404 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 404 L C 2.120 179.037 176.870 0.078 0.000 1.073 404 L CA 1.781 56.634 54.840 0.021 0.000 0.745 404 L CB -0.546 41.499 42.059 -0.022 0.000 0.894 404 L HN -0.078 nan 8.230 nan 0.000 0.432 405 M N -0.973 118.653 119.600 0.044 0.000 2.202 405 M HA -0.238 4.242 4.480 -0.001 0.000 0.262 405 M C 2.158 178.528 176.300 0.116 0.000 1.063 405 M CA 1.596 56.920 55.300 0.041 0.000 1.097 405 M CB -1.511 31.123 32.600 0.056 0.000 1.382 405 M HN 0.452 nan 8.290 nan 0.000 0.413 406 H N -0.181 118.931 119.070 0.069 0.000 2.276 406 H HA -0.157 4.399 4.556 -0.001 0.000 0.301 406 H C 1.810 177.200 175.328 0.103 0.000 1.073 406 H CA 2.082 58.181 56.048 0.085 0.000 1.311 406 H CB -0.470 29.334 29.762 0.070 0.000 1.379 406 H HN 0.207 nan 8.280 nan 0.000 0.494 407 F N 0.475 120.419 119.950 -0.009 0.000 2.043 407 F HA -0.284 4.243 4.527 -0.001 0.000 0.297 407 F C 2.619 178.375 175.800 -0.073 0.000 1.118 407 F CA 1.950 59.901 58.000 -0.081 0.000 1.202 407 F CB -1.165 37.781 39.000 -0.091 0.000 0.965 407 F HN 0.152 nan 8.300 nan 0.000 0.482 408 V N 1.169 121.030 119.914 -0.087 0.000 2.332 408 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 408 V C 2.289 178.340 176.094 -0.070 0.000 1.055 408 V CA 2.666 64.843 62.300 -0.206 0.000 1.038 408 V CB -0.696 30.955 31.823 -0.287 0.000 0.651 408 V HN 0.495 nan 8.190 nan 0.000 0.450 409 N N -0.070 118.628 118.700 -0.004 0.000 2.188 409 N HA -0.114 4.625 4.740 -0.001 0.000 0.184 409 N C 1.778 177.283 175.510 -0.009 0.000 1.018 409 N CA 1.372 54.481 53.050 0.099 0.000 0.858 409 N CB -0.202 38.338 38.487 0.088 0.000 0.989 409 N HN 0.550 nan 8.380 nan 0.000 0.426 410 K N -0.111 120.201 120.400 -0.146 0.000 2.116 410 K HA -0.101 4.219 4.320 -0.001 0.000 0.203 410 K C 1.889 178.505 176.600 0.025 0.000 1.052 410 K CA 0.481 56.712 56.287 -0.094 0.000 0.952 410 K CB -0.426 31.960 32.500 -0.189 0.000 0.729 410 K HN 0.249 nan 8.250 nan 0.000 0.446 411 Y N 2.587 122.692 120.300 -0.326 0.000 2.109 411 Y HA -0.224 4.326 4.550 -0.001 0.000 0.285 411 Y C 2.428 178.356 175.900 0.048 0.000 1.131 411 Y CA 1.894 59.812 58.100 -0.303 0.000 1.121 411 Y CB -0.603 37.383 38.460 -0.791 0.000 0.987 411 Y HN -0.026 nan 8.280 nan 0.000 0.495 412 T N 1.013 115.671 114.554 0.173 0.000 2.755 412 T HA -0.281 4.069 4.350 -0.001 0.000 0.266 412 T C 1.865 176.560 174.700 -0.009 0.000 1.041 412 T CA 1.799 63.994 62.100 0.158 0.000 1.147 412 T CB -0.325 68.707 68.868 0.273 0.000 0.847 412 T HN 0.167 nan 8.240 nan 0.000 0.478 413 K N -0.418 119.938 120.400 -0.073 0.000 2.515 413 K HA -0.008 4.311 4.320 -0.001 0.000 0.196 413 K C 0.523 176.765 176.600 -0.596 0.000 1.038 413 K CA 0.961 57.059 56.287 -0.315 0.000 0.967 413 K CB -0.068 32.220 32.500 -0.353 0.000 0.780 413 K HN 0.437 nan 8.250 nan 0.000 0.483 414 F N -1.729 118.148 119.950 -0.122 0.000 2.938 414 F HA 0.236 4.763 4.527 -0.001 0.000 0.370 414 F C 1.186 176.843 175.800 -0.238 0.000 0.981 414 F CA -0.276 57.613 58.000 -0.186 0.000 1.108 414 F CB -0.031 38.811 39.000 -0.263 0.000 1.086 414 F HN -0.147 nan 8.300 nan 0.000 0.569 415 G N 0.163 108.855 108.800 -0.180 0.000 2.667 415 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.250 415 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.250 415 G C 0.405 175.355 174.900 0.084 0.000 1.212 415 G CA -0.279 44.755 45.100 -0.110 0.000 0.874 415 G HN 0.327 nan 8.290 nan 0.000 0.561 416 N N -0.311 118.496 118.700 0.179 0.000 2.235 416 N HA 0.269 5.008 4.740 -0.001 0.000 0.209 416 N C 0.446 176.045 175.510 0.149 0.000 1.122 416 N CA 0.357 53.486 53.050 0.131 0.000 0.845 416 N CB 0.157 38.717 38.487 0.122 0.000 1.004 416 N HN 0.818 nan 8.380 nan 0.000 0.499 417 G N -0.054 108.854 108.800 0.180 0.000 2.226 417 G HA2 0.066 4.025 3.960 -0.001 0.000 0.257 417 G HA3 0.066 4.025 3.960 -0.001 0.000 0.257 417 G C -1.366 173.607 174.900 0.122 0.000 1.732 417 G CA -0.718 44.454 45.100 0.119 0.000 0.914 417 G HN -0.007 nan 8.290 nan 0.000 0.742 418 T N 1.490 115.972 114.554 -0.120 0.000 2.928 418 T HA 0.622 4.972 4.350 -0.001 0.000 0.296 418 T C -1.384 173.093 174.700 -0.372 0.000 1.000 418 T CA -0.365 61.692 62.100 -0.072 0.000 0.989 418 T CB 1.096 70.061 68.868 0.162 0.000 1.005 418 T HN 0.450 nan 8.240 nan 0.000 0.442 419 Y N 2.284 122.479 120.300 -0.175 0.000 2.350 419 Y HA 0.714 5.263 4.550 -0.001 0.000 0.338 419 Y C -0.444 175.460 175.900 0.008 0.000 0.961 419 Y CA -1.285 56.654 58.100 -0.268 0.000 1.100 419 Y CB 1.508 39.319 38.460 -1.081 0.000 1.179 419 Y HN 0.444 nan 8.280 nan 0.000 0.454 420 L N 5.772 127.298 121.223 0.505 0.000 2.341 420 L HA 0.619 4.958 4.340 -0.001 0.000 0.278 420 L C -1.341 175.900 176.870 0.618 0.000 1.005 420 L CA -1.185 53.874 54.840 0.365 0.000 0.818 420 L CB 0.901 42.964 42.059 0.007 0.000 1.259 420 L HN 0.550 nan 8.230 nan 0.000 0.418 421 Y N 3.180 123.752 120.300 0.453 0.000 2.499 421 Y HA 0.701 5.251 4.550 -0.001 0.000 0.347 421 Y C -1.671 174.456 175.900 0.378 0.000 0.987 421 Y CA -1.687 56.628 58.100 0.358 0.000 1.044 421 Y CB 1.398 40.039 38.460 0.302 0.000 1.245 421 Y HN 0.545 nan 8.280 nan 0.000 0.461 422 F N 5.691 125.856 119.950 0.360 0.000 2.359 422 F HA 0.433 4.960 4.527 -0.001 0.000 0.369 422 F C -1.560 174.503 175.800 0.437 0.000 1.084 422 F CA -1.989 56.173 58.000 0.270 0.000 1.096 422 F CB 0.326 39.469 39.000 0.239 0.000 1.335 422 F HN 0.583 nan 8.300 nan 0.000 0.457 423 F N 7.670 127.662 119.950 0.070 0.000 2.471 423 F HA 0.241 4.767 4.527 -0.001 0.000 0.365 423 F C 0.324 175.936 175.800 -0.313 0.000 1.095 423 F CA -0.163 57.836 58.000 -0.001 0.000 1.174 423 F CB 0.407 39.496 39.000 0.150 0.000 1.105 423 F HN 0.554 nan 8.300 nan 0.000 0.535 424 N N 3.450 121.717 118.700 -0.720 0.000 2.536 424 N HA 0.084 4.824 4.740 -0.001 0.000 0.286 424 N C -1.296 173.925 175.510 -0.482 0.000 1.577 424 N CA -0.531 52.192 53.050 -0.546 0.000 0.883 424 N CB -0.632 37.702 38.487 -0.257 0.000 1.390 424 N HN 0.645 nan 8.380 nan 0.000 0.491 425 H N 0.229 118.716 119.070 -0.973 0.000 2.481 425 H HA 0.476 5.031 4.556 -0.001 0.000 0.333 425 H C -0.553 174.575 175.328 -0.333 0.000 1.066 425 H CA -0.668 55.034 56.048 -0.577 0.000 1.209 425 H CB 1.173 30.575 29.762 -0.601 0.000 1.445 425 H HN 0.132 nan 8.280 nan 0.000 0.488 426 R N 4.005 124.081 120.500 -0.707 0.000 2.265 426 R HA 0.524 4.864 4.340 -0.001 0.000 0.314 426 R C -0.492 175.573 176.300 -0.392 0.000 1.053 426 R CA -0.494 55.390 56.100 -0.360 0.000 0.931 426 R CB 0.448 30.615 30.300 -0.221 0.000 1.024 426 R HN 0.804 nan 8.270 nan 0.000 0.457 427 A N 2.750 125.630 122.820 0.100 0.000 2.520 427 A HA 0.018 4.337 4.320 -0.001 0.000 0.235 427 A C 1.210 178.859 177.584 0.109 0.000 1.065 427 A CA 0.438 52.682 52.037 0.345 0.000 0.764 427 A CB 0.354 19.649 19.000 0.493 0.000 1.002 427 A HN 1.005 nan 8.150 nan 0.000 0.502 428 S N 0.994 116.767 115.700 0.121 0.000 2.461 428 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 428 S C 0.866 175.431 174.600 -0.060 0.000 1.005 428 S CA 0.951 59.166 58.200 0.025 0.000 0.942 428 S CB -0.414 62.820 63.200 0.057 0.000 0.776 428 S HN 0.879 nan 8.310 nan 0.000 0.514 429 N N 0.915 119.525 118.700 -0.151 0.000 2.270 429 N HA 0.224 4.964 4.740 -0.001 0.000 0.198 429 N C -0.025 175.425 175.510 -0.099 0.000 1.117 429 N CA -0.302 52.635 53.050 -0.189 0.000 0.845 429 N CB -0.628 37.629 38.487 -0.384 0.000 0.980 429 N HN 0.383 nan 8.380 nan 0.000 0.486 430 L N 1.445 122.657 121.223 -0.018 0.000 2.499 430 L HA -0.005 4.335 4.340 -0.001 0.000 0.273 430 L C 1.239 178.113 176.870 0.005 0.000 1.195 430 L CA -0.280 54.583 54.840 0.039 0.000 0.882 430 L CB 0.914 43.002 42.059 0.049 0.000 1.133 430 L HN 0.153 nan 8.230 nan 0.000 0.483 431 V N -0.209 119.684 119.914 -0.035 0.000 3.596 431 V HA 0.133 4.253 4.120 -0.001 0.000 0.289 431 V C 0.280 176.401 176.094 0.044 0.000 1.336 431 V CA -0.567 61.690 62.300 -0.073 0.000 1.137 431 V CB -0.952 30.718 31.823 -0.254 0.000 0.966 431 V HN 0.586 nan 8.190 nan 0.000 0.428 432 W N 1.377 122.714 121.300 0.061 0.000 2.332 432 W HA 0.595 5.255 4.660 -0.001 0.000 0.351 432 W C -1.886 174.565 176.519 -0.114 0.000 1.195 432 W CA -2.299 55.058 57.345 0.020 0.000 1.334 432 W CB 0.238 29.637 29.460 -0.101 0.000 1.206 432 W HN -0.064 nan 8.180 nan 0.000 0.637 433 P HA -0.036 nan 4.420 nan 0.000 0.269 433 P C 0.197 177.428 177.300 -0.115 0.000 1.209 433 P CA 0.389 63.481 63.100 -0.013 0.000 0.776 433 P CB 0.966 32.703 31.700 0.061 0.000 0.876 434 E N 1.910 122.125 120.200 0.024 0.000 2.171 434 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 434 E C 1.617 178.247 176.600 0.051 0.000 0.997 434 E CA 1.250 57.669 56.400 0.032 0.000 0.810 434 E CB -0.204 29.545 29.700 0.081 0.000 0.738 434 E HN 0.668 nan 8.360 nan 0.000 0.467 435 W N -0.318 121.020 121.300 0.063 0.000 2.421 435 W HA -0.123 4.537 4.660 -0.001 0.000 0.270 435 W C 1.250 177.818 176.519 0.082 0.000 1.233 435 W CA 0.439 57.828 57.345 0.074 0.000 1.226 435 W CB -0.600 28.911 29.460 0.085 0.000 1.121 435 W HN 0.034 nan 8.180 nan 0.000 0.579 436 M N 1.293 120.515 119.600 -0.630 0.000 2.562 436 M HA 0.139 4.619 4.480 -0.001 0.000 0.257 436 M C 1.804 177.964 176.300 -0.234 0.000 1.099 436 M CA 1.342 56.261 55.300 -0.636 0.000 1.099 436 M CB -0.721 31.335 32.600 -0.906 0.000 1.427 436 M HN 0.122 nan 8.290 nan 0.000 0.489 437 G N 0.811 109.532 108.800 -0.132 0.000 2.614 437 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.303 437 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.303 437 G C -0.074 174.779 174.900 -0.079 0.000 1.270 437 G CA -0.096 44.968 45.100 -0.059 0.000 0.988 437 G HN 0.234 nan 8.290 nan 0.000 0.551 438 V N 2.097 121.993 119.914 -0.030 0.000 2.302 438 V HA 0.288 4.408 4.120 -0.001 0.000 0.244 438 V C 1.273 177.403 176.094 0.061 0.000 1.160 438 V CA 0.183 62.494 62.300 0.018 0.000 1.127 438 V CB -0.732 31.088 31.823 -0.006 0.000 1.253 438 V HN 0.500 nan 8.190 nan 0.000 0.496 439 I N 2.689 123.246 120.570 -0.021 0.000 2.892 439 I HA 0.036 4.205 4.170 -0.001 0.000 0.287 439 I C 1.016 177.235 176.117 0.171 0.000 1.205 439 I CA -0.268 61.006 61.300 -0.043 0.000 1.409 439 I CB 0.100 37.871 38.000 -0.382 0.000 1.367 439 I HN 0.543 nan 8.210 nan 0.000 0.597 440 H N 4.263 123.330 119.070 -0.004 0.000 3.107 440 H HA 0.178 4.734 4.556 -0.001 0.000 0.301 440 H C 0.938 176.228 175.328 -0.063 0.000 0.981 440 H CA 0.718 56.757 56.048 -0.015 0.000 1.443 440 H CB 0.074 29.781 29.762 -0.092 0.000 1.479 440 H HN 0.744 nan 8.280 nan 0.000 0.564 441 G N 3.923 112.564 108.800 -0.265 0.000 2.157 441 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.248 441 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.248 441 G C 0.334 175.234 174.900 0.001 0.000 0.979 441 G CA 0.411 45.344 45.100 -0.278 0.000 0.650 441 G HN 0.637 nan 8.290 nan 0.000 0.529 442 Y N 0.849 121.207 120.300 0.095 0.000 2.532 442 Y HA 0.255 4.805 4.550 -0.001 0.000 0.283 442 Y C 2.171 178.166 175.900 0.160 0.000 1.181 442 Y CA 0.602 58.840 58.100 0.231 0.000 1.256 442 Y CB 0.487 39.121 38.460 0.289 0.000 1.112 442 Y HN 0.504 nan 8.280 nan 0.000 0.521 443 E N -0.166 119.995 120.200 -0.065 0.000 2.364 443 E HA -0.033 4.317 4.350 -0.001 0.000 0.196 443 E C 1.653 178.147 176.600 -0.177 0.000 0.990 443 E CA 0.567 56.563 56.400 -0.674 0.000 0.886 443 E CB -0.406 28.656 29.700 -1.063 0.000 0.866 443 E HN 0.504 nan 8.360 nan 0.000 0.493 444 I N 2.768 123.348 120.570 0.016 0.000 2.151 444 I HA -0.341 3.828 4.170 -0.001 0.000 0.243 444 I C 2.660 178.802 176.117 0.042 0.000 1.080 444 I CA 2.312 63.672 61.300 0.100 0.000 1.339 444 I CB -0.547 37.537 38.000 0.140 0.000 1.039 444 I HN 0.232 nan 8.210 nan 0.000 0.409 445 E N 0.941 121.131 120.200 -0.016 0.000 2.160 445 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 445 E C 2.057 178.536 176.600 -0.202 0.000 0.991 445 E CA 1.523 57.841 56.400 -0.136 0.000 0.810 445 E CB -0.551 29.065 29.700 -0.140 0.000 0.742 445 E HN 0.428 nan 8.360 nan 0.000 0.466 446 F N 1.210 121.052 119.950 -0.179 0.000 2.293 446 F HA -0.028 4.498 4.527 -0.001 0.000 0.297 446 F C 2.356 177.984 175.800 -0.286 0.000 1.089 446 F CA 0.479 58.343 58.000 -0.227 0.000 1.377 446 F CB -0.277 38.627 39.000 -0.159 0.000 1.051 446 F HN -0.135 nan 8.300 nan 0.000 0.511 447 V N -1.054 118.793 119.914 -0.112 0.000 2.358 447 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 447 V C 1.526 177.488 176.094 -0.221 0.000 1.047 447 V CA 1.489 63.606 62.300 -0.305 0.000 1.035 447 V CB -0.672 31.044 31.823 -0.178 0.000 0.658 447 V HN 0.169 nan 8.190 nan 0.000 0.452 448 F N 0.899 120.709 119.950 -0.234 0.000 2.676 448 F HA 0.423 4.949 4.527 -0.001 0.000 0.300 448 F C 1.757 177.405 175.800 -0.252 0.000 1.160 448 F CA 0.151 58.025 58.000 -0.209 0.000 1.401 448 F CB -0.733 38.124 39.000 -0.238 0.000 1.037 448 F HN 0.240 nan 8.300 nan 0.000 0.522 449 G N 0.783 109.466 108.800 -0.196 0.000 2.416 449 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.301 449 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.301 449 G C 1.210 175.759 174.900 -0.585 0.000 0.985 449 G CA 0.305 45.211 45.100 -0.324 0.000 0.934 449 G HN 0.338 nan 8.290 nan 0.000 0.513 450 L N -0.671 120.148 121.223 -0.674 0.000 2.201 450 L HA -0.025 4.315 4.340 -0.001 0.000 0.212 450 L C 0.155 176.482 176.870 -0.905 0.000 1.105 450 L CA 2.026 56.381 54.840 -0.809 0.000 0.775 450 L CB -1.647 40.055 42.059 -0.596 0.000 0.913 450 L HN 0.192 nan 8.230 nan 0.000 0.440 451 P HA -0.107 nan 4.420 nan 0.000 0.228 451 P C 2.002 178.996 177.300 -0.510 0.000 1.151 451 P CA 0.815 63.203 63.100 -1.187 0.000 0.770 451 P CB 0.168 31.185 31.700 -1.137 0.000 0.786 452 L N -1.074 119.877 121.223 -0.454 0.000 2.023 452 L HA -0.030 4.310 4.340 -0.001 0.000 0.205 452 L C 1.290 178.040 176.870 -0.200 0.000 1.073 452 L CA 0.800 55.483 54.840 -0.260 0.000 0.745 452 L CB -1.070 40.867 42.059 -0.204 0.000 0.900 452 L HN -0.105 nan 8.230 nan 0.000 0.435 453 V N 1.918 121.669 119.914 -0.272 0.000 2.434 453 V HA -0.052 4.068 4.120 -0.001 0.000 0.281 453 V C 1.512 177.555 176.094 -0.085 0.000 1.005 453 V CA -0.157 62.058 62.300 -0.143 0.000 1.089 453 V CB 0.527 32.261 31.823 -0.149 0.000 0.978 453 V HN 0.275 nan 8.190 nan 0.000 0.474 454 K N 4.627 125.001 120.400 -0.043 0.000 2.103 454 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 454 K C 1.650 178.248 176.600 -0.004 0.000 1.048 454 K CA 1.910 58.190 56.287 -0.013 0.000 0.930 454 K CB -0.166 32.327 32.500 -0.012 0.000 0.716 454 K HN 0.923 nan 8.250 nan 0.000 0.444 455 E N 0.790 120.981 120.200 -0.015 0.000 2.448 455 E HA -0.124 4.226 4.350 -0.001 0.000 0.203 455 E C 1.504 178.092 176.600 -0.020 0.000 1.046 455 E CA 0.516 56.905 56.400 -0.019 0.000 0.871 455 E CB -0.311 29.376 29.700 -0.022 0.000 0.790 455 E HN 0.269 nan 8.360 nan 0.000 0.545 456 L N -0.136 121.090 121.223 0.005 0.000 2.567 456 L HA 0.137 4.477 4.340 -0.001 0.000 0.225 456 L C -0.287 176.571 176.870 -0.020 0.000 1.119 456 L CA -0.032 54.826 54.840 0.030 0.000 0.871 456 L CB -0.577 41.567 42.059 0.141 0.000 1.036 456 L HN 0.177 nan 8.230 nan 0.000 0.459 457 N N -0.887 117.809 118.700 -0.005 0.000 2.726 457 N HA -0.220 4.520 4.740 -0.001 0.000 0.253 457 N C -0.905 174.533 175.510 -0.120 0.000 1.059 457 N CA 0.110 53.123 53.050 -0.062 0.000 0.701 457 N CB -1.197 37.222 38.487 -0.114 0.000 0.899 457 N HN 0.234 nan 8.380 nan 0.000 0.548 458 Y N 0.166 120.430 120.300 -0.061 0.000 2.534 458 Y HA 0.439 4.989 4.550 -0.001 0.000 0.329 458 Y C 1.323 177.216 175.900 -0.012 0.000 1.154 458 Y CA -0.512 57.564 58.100 -0.040 0.000 1.192 458 Y CB 1.076 39.472 38.460 -0.106 0.000 1.275 458 Y HN 0.096 nan 8.280 nan 0.000 0.491 459 T N -1.563 113.103 114.554 0.188 0.000 2.913 459 T HA 0.456 4.805 4.350 -0.001 0.000 0.287 459 T C 1.198 175.958 174.700 0.099 0.000 1.008 459 T CA -0.231 61.940 62.100 0.118 0.000 1.067 459 T CB 1.418 70.357 68.868 0.117 0.000 0.996 459 T HN 0.823 nan 8.240 nan 0.000 0.513 460 A N 2.324 125.178 122.820 0.058 0.000 1.915 460 A HA -0.222 4.098 4.320 -0.001 0.000 0.220 460 A C 2.313 179.914 177.584 0.028 0.000 1.198 460 A CA 2.067 54.124 52.037 0.033 0.000 0.647 460 A CB -0.863 18.150 19.000 0.022 0.000 0.825 460 A HN 0.984 nan 8.150 nan 0.000 0.456 461 E N 0.299 120.521 120.200 0.036 0.000 2.106 461 E HA -0.212 4.138 4.350 -0.001 0.000 0.192 461 E C 1.655 178.269 176.600 0.023 0.000 0.984 461 E CA 1.350 57.760 56.400 0.017 0.000 0.806 461 E CB -0.742 28.964 29.700 0.010 0.000 0.750 461 E HN 0.812 nan 8.360 nan 0.000 0.458 462 E N 1.063 121.313 120.200 0.084 0.000 2.110 462 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 462 E C 2.140 178.797 176.600 0.096 0.000 0.988 462 E CA 0.986 57.506 56.400 0.200 0.000 0.804 462 E CB -0.093 29.842 29.700 0.391 0.000 0.745 462 E HN 0.401 nan 8.360 nan 0.000 0.458 463 E N 0.735 120.936 120.200 0.002 0.000 2.077 463 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 463 E C 2.082 178.653 176.600 -0.049 0.000 0.989 463 E CA 0.878 57.226 56.400 -0.087 0.000 0.800 463 E CB -0.025 29.633 29.700 -0.070 0.000 0.746 463 E HN 0.196 nan 8.360 nan 0.000 0.452 464 A N 1.304 124.114 122.820 -0.017 0.000 1.883 464 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 464 A C 2.147 179.723 177.584 -0.012 0.000 1.186 464 A CA 1.424 53.448 52.037 -0.022 0.000 0.624 464 A CB -0.799 18.190 19.000 -0.017 0.000 0.822 464 A HN 0.368 nan 8.150 nan 0.000 0.444 465 L N 0.054 121.293 121.223 0.027 0.000 1.971 465 L HA -0.173 4.166 4.340 -0.001 0.000 0.215 465 L C 2.662 179.594 176.870 0.103 0.000 1.072 465 L CA 2.701 57.578 54.840 0.061 0.000 0.758 465 L CB -1.074 41.031 42.059 0.076 0.000 0.889 465 L HN 0.409 nan 8.230 nan 0.000 0.433 466 S N -0.695 115.109 115.700 0.174 0.000 2.369 466 S HA -0.314 4.155 4.470 -0.001 0.000 0.225 466 S C 2.193 176.761 174.600 -0.054 0.000 1.043 466 S CA 1.972 60.201 58.200 0.048 0.000 1.074 466 S CB -0.316 62.777 63.200 -0.177 0.000 0.962 466 S HN 0.536 nan 8.310 nan 0.000 0.433 467 R N 0.251 120.711 120.500 -0.067 0.000 2.117 467 R HA -0.062 4.278 4.340 -0.001 0.000 0.243 467 R C 2.781 179.032 176.300 -0.081 0.000 1.143 467 R CA 1.731 57.787 56.100 -0.073 0.000 0.968 467 R CB -0.315 29.939 30.300 -0.076 0.000 0.863 467 R HN 0.439 nan 8.270 nan 0.000 0.444 468 R N 0.338 120.774 120.500 -0.107 0.000 2.070 468 R HA -0.092 4.248 4.340 -0.001 0.000 0.233 468 R C 2.353 178.518 176.300 -0.225 0.000 1.137 468 R CA 1.489 57.453 56.100 -0.227 0.000 0.945 468 R CB -0.383 29.797 30.300 -0.200 0.000 0.845 468 R HN 0.199 nan 8.270 nan 0.000 0.430 469 I N 0.732 121.254 120.570 -0.079 0.000 2.076 469 I HA -0.370 3.799 4.170 -0.001 0.000 0.237 469 I C 2.587 178.644 176.117 -0.099 0.000 1.059 469 I CA 1.562 62.806 61.300 -0.093 0.000 1.317 469 I CB -0.298 37.489 38.000 -0.355 0.000 1.037 469 I HN 0.222 nan 8.210 nan 0.000 0.398 470 M N -0.542 118.962 119.600 -0.160 0.000 2.116 470 M HA -0.336 4.144 4.480 -0.001 0.000 0.255 470 M C 2.462 178.820 176.300 0.096 0.000 1.075 470 M CA 2.060 57.306 55.300 -0.090 0.000 1.087 470 M CB -0.986 31.566 32.600 -0.080 0.000 1.340 470 M HN 0.341 nan 8.290 nan 0.000 0.402 471 H N -0.520 118.547 119.070 -0.004 0.000 2.357 471 H HA -0.138 4.417 4.556 -0.001 0.000 0.301 471 H C 1.620 177.076 175.328 0.212 0.000 1.082 471 H CA 1.884 57.955 56.048 0.039 0.000 1.342 471 H CB -0.134 29.593 29.762 -0.059 0.000 1.389 471 H HN 0.274 nan 8.280 nan 0.000 0.511 472 Y N -0.453 120.020 120.300 0.289 0.000 2.053 472 Y HA -0.308 4.242 4.550 -0.001 0.000 0.277 472 Y C 2.641 178.759 175.900 0.362 0.000 1.159 472 Y CA 1.370 59.690 58.100 0.367 0.000 1.125 472 Y CB -1.186 37.708 38.460 0.724 0.000 0.969 472 Y HN 0.366 nan 8.280 nan 0.000 0.492 473 W N -0.442 120.973 121.300 0.193 0.000 2.315 473 W HA -0.314 4.346 4.660 -0.000 0.000 0.323 473 W C 2.664 179.185 176.519 0.002 0.000 1.233 473 W CA 1.219 58.600 57.345 0.061 0.000 1.267 473 W CB -0.727 28.706 29.460 -0.045 0.000 1.160 473 W HN 0.104 nan 8.180 nan 0.000 0.474 474 A N 0.248 123.182 122.820 0.189 0.000 1.851 474 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 474 A C 1.783 179.339 177.584 -0.047 0.000 1.195 474 A CA 2.726 54.774 52.037 0.020 0.000 0.622 474 A CB -1.502 17.497 19.000 -0.003 0.000 0.831 474 A HN 0.248 nan 8.150 nan 0.000 0.444 475 T N -0.857 113.610 114.554 -0.146 0.000 2.778 475 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 475 T C 1.526 176.181 174.700 -0.074 0.000 1.050 475 T CA 1.746 63.734 62.100 -0.187 0.000 1.137 475 T CB -0.397 68.274 68.868 -0.329 0.000 0.860 475 T HN 0.496 nan 8.240 nan 0.000 0.468 476 F N 1.946 121.793 119.950 -0.172 0.000 2.128 476 F HA 0.165 4.691 4.527 -0.001 0.000 0.295 476 F C 2.389 178.090 175.800 -0.166 0.000 1.100 476 F CA 0.778 58.635 58.000 -0.239 0.000 1.260 476 F CB -0.815 37.975 39.000 -0.348 0.000 1.009 476 F HN 0.125 nan 8.300 nan 0.000 0.476 477 A N 0.445 123.114 122.820 -0.253 0.000 1.908 477 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 477 A C 2.352 179.781 177.584 -0.258 0.000 1.181 477 A CA 2.079 53.940 52.037 -0.294 0.000 0.627 477 A CB -0.892 18.031 19.000 -0.127 0.000 0.818 477 A HN 0.505 nan 8.150 nan 0.000 0.445 478 K N -1.058 119.233 120.400 -0.181 0.000 2.116 478 K HA -0.102 4.218 4.320 -0.001 0.000 0.203 478 K C 2.042 178.555 176.600 -0.145 0.000 1.052 478 K CA 1.839 58.049 56.287 -0.129 0.000 0.952 478 K CB -0.098 32.353 32.500 -0.083 0.000 0.729 478 K HN 0.635 nan 8.250 nan 0.000 0.446 479 T N -4.708 109.736 114.554 -0.183 0.000 3.038 479 T HA 0.247 4.597 4.350 -0.001 0.000 0.244 479 T C 1.268 175.850 174.700 -0.198 0.000 1.016 479 T CA 0.710 62.720 62.100 -0.150 0.000 1.098 479 T CB 0.758 69.571 68.868 -0.092 0.000 0.954 479 T HN 0.303 nan 8.240 nan 0.000 0.469 480 G N 1.280 109.859 108.800 -0.368 0.000 2.175 480 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.182 480 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.182 480 G C -0.255 174.626 174.900 -0.032 0.000 1.003 480 G CA -0.004 44.869 45.100 -0.378 0.000 0.666 480 G HN 0.833 nan 8.290 nan 0.000 0.506 481 N N -0.132 118.537 118.700 -0.052 0.000 2.324 481 N HA 0.441 5.181 4.740 -0.001 0.000 0.285 481 N C -2.260 173.143 175.510 -0.179 0.000 1.076 481 N CA -1.197 51.754 53.050 -0.164 0.000 0.864 481 N CB 2.813 41.282 38.487 -0.029 0.000 1.632 481 N HN -0.086 nan 8.380 nan 0.000 0.478 482 P HA 0.018 nan 4.420 nan 0.000 0.231 482 P C -0.374 177.028 177.300 0.171 0.000 1.168 482 P CA 0.441 63.450 63.100 -0.152 0.000 0.779 482 P CB 0.474 31.821 31.700 -0.589 0.000 0.844 483 N N 1.316 120.064 118.700 0.081 0.000 2.515 483 N HA 0.106 4.845 4.740 -0.001 0.000 0.279 483 N C 0.318 175.909 175.510 0.134 0.000 1.164 483 N CA -0.155 53.017 53.050 0.203 0.000 0.982 483 N CB 0.918 39.515 38.487 0.183 0.000 1.170 483 N HN 0.053 nan 8.380 nan 0.000 0.474 484 E N 2.208 122.510 120.200 0.170 0.000 2.316 484 E HA 0.076 4.426 4.350 -0.001 0.000 0.275 484 E C -1.139 175.501 176.600 0.067 0.000 1.029 484 E CA -1.379 55.103 56.400 0.136 0.000 0.871 484 E CB 0.920 30.726 29.700 0.176 0.000 1.022 484 E HN 0.396 nan 8.360 nan 0.000 0.418 485 P HA -0.208 nan 4.420 nan 0.000 0.216 485 P C -0.212 176.890 177.300 -0.331 0.000 1.167 485 P CA 1.750 64.767 63.100 -0.137 0.000 0.933 485 P CB 0.053 31.730 31.700 -0.038 0.000 0.793 486 H N -1.271 117.840 119.070 0.070 0.000 2.638 486 H HA 0.606 5.162 4.556 -0.001 0.000 0.317 486 H C -0.298 175.073 175.328 0.071 0.000 1.006 486 H CA -0.399 55.687 56.048 0.065 0.000 1.222 486 H CB 1.220 31.012 29.762 0.050 0.000 1.419 486 H HN 0.007 nan 8.280 nan 0.000 0.489 487 S N 1.389 117.173 115.700 0.139 0.000 2.632 487 S HA 0.257 4.727 4.470 -0.001 0.000 0.289 487 S C 0.131 174.794 174.600 0.106 0.000 1.115 487 S CA -0.735 57.538 58.200 0.122 0.000 0.889 487 S CB 1.429 64.705 63.200 0.126 0.000 1.116 487 S HN 0.784 nan 8.310 nan 0.000 0.486 488 Q N 0.825 120.678 119.800 0.089 0.000 2.198 488 Q HA 0.204 4.544 4.340 -0.001 0.000 0.209 488 Q C -0.925 175.118 176.000 0.071 0.000 0.848 488 Q CA -0.067 55.780 55.803 0.073 0.000 0.974 488 Q CB 0.494 29.266 28.738 0.057 0.000 1.115 488 Q HN 0.651 nan 8.270 nan 0.000 0.494 489 E N -0.761 119.492 120.200 0.088 0.000 2.274 489 E HA 0.361 4.711 4.350 -0.001 0.000 0.269 489 E C -0.933 175.744 176.600 0.130 0.000 0.891 489 E CA -0.849 55.605 56.400 0.091 0.000 0.784 489 E CB 1.416 31.159 29.700 0.072 0.000 1.225 489 E HN -0.041 nan 8.360 nan 0.000 0.412 490 S N 3.682 119.455 115.700 0.122 0.000 4.617 490 S HA -0.169 4.301 4.470 -0.001 0.000 0.411 490 S C -0.210 174.520 174.600 0.215 0.000 0.799 490 S CA 0.541 58.830 58.200 0.149 0.000 1.231 490 S CB -0.560 62.729 63.200 0.147 0.000 2.302 490 S HN 0.526 nan 8.310 nan 0.000 0.325 491 K N 2.026 122.543 120.400 0.194 0.000 2.218 491 K HA 0.196 4.515 4.320 -0.001 0.000 0.276 491 K C 0.058 176.848 176.600 0.317 0.000 1.022 491 K CA -0.462 55.974 56.287 0.248 0.000 0.946 491 K CB 0.569 33.184 32.500 0.191 0.000 1.000 491 K HN 0.741 nan 8.250 nan 0.000 0.468 492 W N 5.868 127.256 121.300 0.147 0.000 2.317 492 W HA 0.270 4.930 4.660 -0.001 0.000 0.327 492 W C -2.385 174.256 176.519 0.204 0.000 1.036 492 W CA -2.973 54.446 57.345 0.124 0.000 1.419 492 W CB -0.160 29.286 29.460 -0.024 0.000 1.253 492 W HN 0.347 nan 8.180 nan 0.000 0.392 493 P HA -0.116 nan 4.420 nan 0.000 0.266 493 P C -0.390 177.099 177.300 0.315 0.000 1.193 493 P CA 0.047 63.352 63.100 0.341 0.000 0.770 493 P CB 0.598 32.438 31.700 0.233 0.000 0.836 494 L N 4.141 125.414 121.223 0.084 0.000 2.349 494 L HA 0.393 4.732 4.340 -0.001 0.000 0.275 494 L C -0.601 176.252 176.870 -0.027 0.000 1.115 494 L CA -0.470 54.250 54.840 -0.200 0.000 0.820 494 L CB -0.203 41.717 42.059 -0.231 0.000 1.135 494 L HN 0.182 nan 8.230 nan 0.000 0.445 495 F N 4.235 124.085 119.950 -0.167 0.000 2.467 495 F HA 0.488 5.014 4.527 -0.001 0.000 0.362 495 F C 0.184 175.954 175.800 -0.050 0.000 1.090 495 F CA 0.028 58.014 58.000 -0.023 0.000 1.202 495 F CB 0.652 39.665 39.000 0.021 0.000 1.113 495 F HN 0.654 nan 8.300 nan 0.000 0.541 496 T N 0.830 114.983 114.554 -0.668 0.000 2.886 496 T HA 0.227 4.576 4.350 -0.001 0.000 0.292 496 T C 0.908 175.206 174.700 -0.670 0.000 1.012 496 T CA -0.105 61.703 62.100 -0.487 0.000 0.982 496 T CB 1.344 70.059 68.868 -0.255 0.000 1.018 496 T HN 0.672 nan 8.240 nan 0.000 0.451 497 T N -0.029 114.279 114.554 -0.409 0.000 2.918 497 T HA -0.171 4.178 4.350 -0.001 0.000 0.271 497 T C 1.463 176.030 174.700 -0.222 0.000 1.104 497 T CA 1.372 63.302 62.100 -0.284 0.000 1.114 497 T CB -0.287 68.501 68.868 -0.134 0.000 0.855 497 T HN 0.775 nan 8.240 nan 0.000 0.518 498 K N 0.785 121.058 120.400 -0.211 0.000 2.056 498 K HA -0.023 4.297 4.320 -0.001 0.000 0.205 498 K C 2.357 178.878 176.600 -0.133 0.000 1.035 498 K CA 0.740 56.945 56.287 -0.137 0.000 0.955 498 K CB 0.082 32.518 32.500 -0.107 0.000 0.769 498 K HN 0.117 nan 8.250 nan 0.000 0.447 499 E N 0.790 120.894 120.200 -0.160 0.000 2.107 499 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 499 E C 0.385 176.920 176.600 -0.109 0.000 0.982 499 E CA 0.607 56.941 56.400 -0.111 0.000 0.809 499 E CB 0.105 29.752 29.700 -0.089 0.000 0.756 499 E HN 0.343 nan 8.360 nan 0.000 0.459 500 Q N -0.197 119.424 119.800 -0.299 0.000 2.452 500 Q HA -0.189 4.150 4.340 -0.001 0.000 0.248 500 Q C -0.313 175.827 176.000 0.233 0.000 0.874 500 Q CA 0.849 56.521 55.803 -0.218 0.000 1.208 500 Q CB -1.931 26.857 28.738 0.082 0.000 1.569 500 Q HN 0.349 nan 8.270 nan 0.000 0.579 501 K N 0.468 120.949 120.400 0.135 0.000 2.440 501 K HA 0.285 4.605 4.320 -0.001 0.000 0.270 501 K C 0.356 177.276 176.600 0.533 0.000 0.980 501 K CA 0.919 57.347 56.287 0.235 0.000 0.953 501 K CB 0.133 32.707 32.500 0.122 0.000 0.925 501 K HN 0.195 nan 8.250 nan 0.000 0.497 502 F N -0.220 119.904 119.950 0.291 0.000 2.773 502 F HA 0.567 5.094 4.527 -0.001 0.000 0.314 502 F C -1.273 174.645 175.800 0.196 0.000 1.160 502 F CA -1.453 56.733 58.000 0.310 0.000 0.920 502 F CB 0.734 39.910 39.000 0.294 0.000 1.323 502 F HN 0.427 nan 8.300 nan 0.000 0.457 503 I N -0.921 119.876 120.570 0.377 0.000 3.002 503 I HA 0.646 4.816 4.170 -0.001 0.000 0.310 503 I C -1.159 175.152 176.117 0.322 0.000 1.087 503 I CA -0.930 60.422 61.300 0.086 0.000 1.017 503 I CB 2.201 40.017 38.000 -0.307 0.000 1.226 503 I HN 0.523 nan 8.210 nan 0.000 0.443 504 D N 2.586 123.126 120.400 0.233 0.000 2.312 504 D HA 0.490 5.129 4.640 -0.001 0.000 0.248 504 D C -0.891 175.504 176.300 0.158 0.000 1.086 504 D CA 0.017 54.209 54.000 0.319 0.000 0.948 504 D CB 2.465 43.439 40.800 0.290 0.000 1.162 504 D HN 0.281 nan 8.370 nan 0.000 0.446 505 L N 2.354 123.664 121.223 0.145 0.000 2.514 505 L HA 0.193 4.532 4.340 -0.001 0.000 0.257 505 L C -1.035 175.775 176.870 -0.100 0.000 1.101 505 L CA -0.341 54.553 54.840 0.089 0.000 0.911 505 L CB 0.400 42.612 42.059 0.255 0.000 1.162 505 L HN 0.436 nan 8.230 nan 0.000 0.477 506 N N -1.528 117.120 118.700 -0.086 0.000 3.204 506 N HA 0.388 5.128 4.740 -0.001 0.000 0.285 506 N C 0.451 175.877 175.510 -0.140 0.000 1.536 506 N CA -0.175 52.779 53.050 -0.161 0.000 0.832 506 N CB 0.446 38.899 38.487 -0.056 0.000 1.645 506 N HN -0.001 nan 8.380 nan 0.000 0.586 507 T N -3.523 110.912 114.554 -0.198 0.000 3.160 507 T HA 0.122 4.471 4.350 -0.001 0.000 0.257 507 T C -0.048 174.633 174.700 -0.031 0.000 1.147 507 T CA 0.381 62.395 62.100 -0.144 0.000 1.064 507 T CB -0.418 68.332 68.868 -0.197 0.000 0.949 507 T HN 0.398 nan 8.240 nan 0.000 0.526 508 E N 2.002 122.202 120.200 0.001 0.000 2.254 508 E HA 0.379 4.729 4.350 -0.001 0.000 0.261 508 E C -2.759 173.856 176.600 0.025 0.000 1.051 508 E CA -2.869 53.546 56.400 0.026 0.000 0.902 508 E CB 0.232 29.960 29.700 0.047 0.000 1.168 508 E HN 0.116 nan 8.360 nan 0.000 0.423 509 P HA 0.018 nan 4.420 nan 0.000 0.265 509 P C -0.041 177.275 177.300 0.027 0.000 1.222 509 P CA 0.172 63.289 63.100 0.027 0.000 0.767 509 P CB -0.031 31.683 31.700 0.024 0.000 0.801 510 M N 2.405 122.025 119.600 0.032 0.000 2.235 510 M HA 0.044 4.524 4.480 -0.001 0.000 0.336 510 M C -0.122 176.164 176.300 -0.023 0.000 1.146 510 M CA 0.945 56.257 55.300 0.021 0.000 1.018 510 M CB 0.486 33.107 32.600 0.036 0.000 1.694 510 M HN 0.133 nan 8.290 nan 0.000 0.451 511 K N 3.599 123.951 120.400 -0.080 0.000 2.422 511 K HA 0.618 4.938 4.320 -0.001 0.000 0.251 511 K C -1.800 174.506 176.600 -0.491 0.000 0.933 511 K CA -0.941 55.212 56.287 -0.223 0.000 0.798 511 K CB 2.101 34.488 32.500 -0.189 0.000 1.238 511 K HN 0.732 nan 8.250 nan 0.000 0.428 512 V N 4.374 124.008 119.914 -0.468 0.000 2.686 512 V HA 0.351 4.470 4.120 -0.001 0.000 0.295 512 V C -0.020 175.592 176.094 -0.803 0.000 1.057 512 V CA -0.326 61.675 62.300 -0.497 0.000 1.012 512 V CB 1.130 32.828 31.823 -0.209 0.000 1.006 512 V HN 0.783 nan 8.190 nan 0.000 0.477 513 H N 2.486 121.220 119.070 -0.560 0.000 2.906 513 H HA 0.646 5.202 4.556 -0.001 0.000 0.337 513 H C -1.084 173.879 175.328 -0.609 0.000 1.257 513 H CA -0.833 54.797 56.048 -0.695 0.000 1.192 513 H CB 2.129 31.216 29.762 -1.125 0.000 1.912 513 H HN 0.587 nan 8.280 nan 0.000 0.573 514 Q N 0.158 119.889 119.800 -0.115 0.000 2.421 514 Q HA 0.401 4.741 4.340 -0.001 0.000 0.280 514 Q C -0.763 175.457 176.000 0.367 0.000 1.085 514 Q CA -1.000 54.897 55.803 0.157 0.000 0.807 514 Q CB 2.900 31.691 28.738 0.089 0.000 1.405 514 Q HN 0.439 nan 8.270 nan 0.000 0.419 515 R N 0.978 121.721 120.500 0.405 0.000 2.865 515 R HA -0.212 4.128 4.340 -0.001 0.000 0.269 515 R C -0.707 175.786 176.300 0.321 0.000 0.915 515 R CA -0.120 56.171 56.100 0.318 0.000 0.715 515 R CB -1.331 29.084 30.300 0.191 0.000 1.735 515 R HN 0.434 nan 8.270 nan 0.000 0.506 516 L N 3.001 124.366 121.223 0.237 0.000 2.597 516 L HA 0.048 4.387 4.340 -0.001 0.000 0.271 516 L C 0.633 177.474 176.870 -0.048 0.000 1.157 516 L CA 0.475 55.231 54.840 -0.141 0.000 0.928 516 L CB 0.004 41.597 42.059 -0.777 0.000 1.216 516 L HN 0.503 nan 8.230 nan 0.000 0.481 517 R N 2.289 122.781 120.500 -0.014 0.000 3.301 517 R HA -0.201 4.139 4.340 -0.001 0.000 0.249 517 R C 1.096 177.460 176.300 0.107 0.000 0.964 517 R CA 0.555 56.683 56.100 0.047 0.000 0.653 517 R CB -2.248 28.085 30.300 0.056 0.000 1.043 517 R HN 0.705 nan 8.270 nan 0.000 0.454 518 V N -1.253 118.727 119.914 0.109 0.000 2.233 518 V HA -0.363 3.756 4.120 -0.001 0.000 0.247 518 V C 2.398 178.574 176.094 0.135 0.000 1.050 518 V CA 2.175 64.552 62.300 0.128 0.000 1.010 518 V CB -0.569 31.323 31.823 0.114 0.000 0.637 518 V HN 0.349 nan 8.190 nan 0.000 0.444 519 Q N -0.100 119.759 119.800 0.099 0.000 1.991 519 Q HA -0.264 4.075 4.340 -0.001 0.000 0.213 519 Q C 2.107 178.175 176.000 0.114 0.000 1.022 519 Q CA 2.552 58.398 55.803 0.071 0.000 0.877 519 Q CB -0.531 28.220 28.738 0.021 0.000 0.970 519 Q HN 0.520 nan 8.270 nan 0.000 0.414 520 M N -1.359 118.330 119.600 0.149 0.000 2.460 520 M HA -0.086 4.394 4.480 -0.001 0.000 0.263 520 M C 2.113 178.730 176.300 0.528 0.000 1.071 520 M CA 0.734 56.206 55.300 0.287 0.000 1.096 520 M CB -0.913 31.912 32.600 0.374 0.000 1.408 520 M HN 0.342 nan 8.290 nan 0.000 0.463 521 c N -0.765 118.066 118.600 0.386 0.000 2.563 521 c HA 0.070 4.640 4.570 -0.001 0.000 0.268 521 c C 2.736 177.012 174.090 0.310 0.000 1.365 521 c CA -0.006 56.557 56.329 0.389 0.000 1.754 521 c CB -0.565 42.103 42.510 0.263 0.000 1.932 521 c HN 0.287 nan 8.230 nan 0.000 0.536 522 V N 0.396 120.463 119.914 0.255 0.000 2.719 522 V HA -0.130 3.990 4.120 -0.001 0.000 0.252 522 V C 1.928 178.159 176.094 0.228 0.000 1.065 522 V CA 1.664 64.086 62.300 0.204 0.000 1.086 522 V CB -0.698 31.218 31.823 0.155 0.000 0.700 522 V HN 0.566 nan 8.190 nan 0.000 0.467 523 F N -0.087 119.924 119.950 0.101 0.000 2.098 523 F HA -0.093 4.433 4.527 -0.001 0.000 0.294 523 F C 1.992 177.820 175.800 0.047 0.000 1.107 523 F CA 1.374 59.398 58.000 0.039 0.000 1.234 523 F CB -0.382 38.526 39.000 -0.152 0.000 1.002 523 F HN 0.127 nan 8.300 nan 0.000 0.472 524 W N 1.051 122.403 121.300 0.087 0.000 2.379 524 W HA -0.158 4.501 4.660 -0.001 0.000 0.307 524 W C 2.366 178.844 176.519 -0.068 0.000 1.200 524 W CA 1.172 58.498 57.345 -0.031 0.000 1.297 524 W CB -0.472 29.113 29.460 0.207 0.000 1.140 524 W HN -0.019 nan 8.180 nan 0.000 0.507 525 N N -0.502 118.337 118.700 0.232 0.000 2.290 525 N HA -0.077 4.663 4.740 -0.001 0.000 0.179 525 N C 1.512 177.033 175.510 0.017 0.000 1.016 525 N CA 1.247 54.345 53.050 0.080 0.000 0.871 525 N CB -0.362 38.190 38.487 0.109 0.000 0.987 525 N HN 0.388 nan 8.380 nan 0.000 0.431 526 Q N -1.120 118.716 119.800 0.060 0.000 2.387 526 Q HA 0.143 4.483 4.340 -0.001 0.000 0.212 526 Q C 1.352 177.365 176.000 0.022 0.000 0.925 526 Q CA 0.120 55.953 55.803 0.050 0.000 0.901 526 Q CB 0.149 28.950 28.738 0.105 0.000 1.020 526 Q HN 0.158 nan 8.270 nan 0.000 0.545 527 F N 1.618 121.492 119.950 -0.127 0.000 2.059 527 F HA -0.127 4.400 4.527 -0.001 0.000 0.289 527 F C 1.954 177.589 175.800 -0.275 0.000 1.128 527 F CA 0.760 58.661 58.000 -0.165 0.000 1.181 527 F CB -0.489 38.451 39.000 -0.099 0.000 1.012 527 F HN 0.010 nan 8.300 nan 0.000 0.473 528 L N 1.450 122.279 121.223 -0.658 0.000 2.064 528 L HA -0.180 4.159 4.340 -0.001 0.000 0.216 528 L C -0.982 175.612 176.870 -0.460 0.000 1.077 528 L CA 2.406 56.816 54.840 -0.715 0.000 0.766 528 L CB -1.951 39.582 42.059 -0.877 0.000 0.890 528 L HN 0.073 nan 8.230 nan 0.000 0.435 529 P HA -0.218 nan 4.420 nan 0.000 0.214 529 P C 1.571 178.740 177.300 -0.217 0.000 1.163 529 P CA 1.737 64.731 63.100 -0.178 0.000 0.883 529 P CB -0.098 31.531 31.700 -0.117 0.000 0.788 530 K N -0.468 119.773 120.400 -0.266 0.000 2.020 530 K HA -0.206 4.113 4.320 -0.001 0.000 0.212 530 K C 1.999 178.405 176.600 -0.323 0.000 1.050 530 K CA 1.470 57.606 56.287 -0.251 0.000 0.929 530 K CB -0.953 31.404 32.500 -0.237 0.000 0.714 530 K HN -0.089 nan 8.250 nan 0.000 0.443 531 L N 1.622 122.507 121.223 -0.564 0.000 1.990 531 L HA -0.197 4.142 4.340 -0.001 0.000 0.213 531 L C 1.988 178.694 176.870 -0.272 0.000 1.072 531 L CA 1.753 56.288 54.840 -0.507 0.000 0.755 531 L CB -0.600 41.011 42.059 -0.748 0.000 0.889 531 L HN 0.290 nan 8.230 nan 0.000 0.432 532 L N -0.145 120.931 121.223 -0.245 0.000 2.191 532 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 532 L C 2.463 179.272 176.870 -0.102 0.000 1.103 532 L CA 1.398 56.150 54.840 -0.147 0.000 0.769 532 L CB -0.740 41.250 42.059 -0.116 0.000 0.908 532 L HN 0.552 nan 8.230 nan 0.000 0.438 533 N N 0.313 118.946 118.700 -0.111 0.000 2.251 533 N HA -0.094 4.645 4.740 -0.001 0.000 0.181 533 N C 1.872 177.341 175.510 -0.069 0.000 1.019 533 N CA 1.184 54.189 53.050 -0.076 0.000 0.862 533 N CB 0.236 38.679 38.487 -0.074 0.000 0.992 533 N HN 0.252 nan 8.380 nan 0.000 0.429 534 A N 0.656 123.423 122.820 -0.089 0.000 1.883 534 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 534 A C 1.530 179.083 177.584 -0.052 0.000 1.186 534 A CA 1.807 53.804 52.037 -0.067 0.000 0.624 534 A CB -1.358 17.595 19.000 -0.078 0.000 0.822 534 A HN 0.580 nan 8.150 nan 0.000 0.444 535 T N 0.000 114.517 114.554 -0.062 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 535 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658