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 2vt7_1_B 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 0.000 174.650 174.600 0.084 0.000 1.055 4 S CA 0.000 58.234 58.200 0.056 0.000 1.107 4 S CB 0.000 63.236 63.200 0.060 0.000 0.593 5 E N 1.755 122.014 120.200 0.098 0.000 2.107 5 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 5 E C 1.282 178.026 176.600 0.240 0.000 0.982 5 E CA 1.007 57.495 56.400 0.146 0.000 0.809 5 E CB -0.049 29.727 29.700 0.127 0.000 0.756 5 E HN 0.692 nan 8.360 nan 0.000 0.459 6 L N 0.801 122.134 121.223 0.183 0.000 2.554 6 L HA 0.075 4.415 4.340 -0.000 0.000 0.226 6 L C 0.443 177.513 176.870 0.334 0.000 1.137 6 L CA -0.225 54.740 54.840 0.209 0.000 0.863 6 L CB 0.167 42.248 42.059 0.037 0.000 0.985 6 L HN 0.140 nan 8.230 nan 0.000 0.451 7 L N 0.844 122.208 121.223 0.236 0.000 2.280 7 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 7 L C -0.618 176.328 176.870 0.127 0.000 1.023 7 L CA -0.244 54.715 54.840 0.198 0.000 0.819 7 L CB 1.441 43.571 42.059 0.117 0.000 1.212 7 L HN -0.330 nan 8.230 nan 0.000 0.420 8 V N 4.754 124.732 119.914 0.107 0.000 2.638 8 V HA 0.477 4.596 4.120 -0.000 0.000 0.306 8 V C -0.542 175.488 176.094 -0.108 0.000 1.052 8 V CA -0.835 61.387 62.300 -0.130 0.000 0.885 8 V CB 2.091 33.605 31.823 -0.514 0.000 0.999 8 V HN 0.775 nan 8.190 nan 0.000 0.424 9 N N 2.790 121.354 118.700 -0.227 0.000 2.425 9 N HA 0.513 5.253 4.740 -0.000 0.000 0.268 9 N C -0.163 175.076 175.510 -0.452 0.000 0.991 9 N CA -0.100 52.799 53.050 -0.252 0.000 0.931 9 N CB 1.535 39.863 38.487 -0.266 0.000 1.130 9 N HN 0.902 nan 8.380 nan 0.000 0.493 10 T N 0.129 114.522 114.554 -0.268 0.000 2.937 10 T HA 0.364 4.713 4.350 -0.000 0.000 0.283 10 T C 0.977 175.484 174.700 -0.321 0.000 1.012 10 T CA -0.563 61.377 62.100 -0.266 0.000 0.997 10 T CB 1.019 69.963 68.868 0.127 0.000 1.136 10 T HN 0.406 nan 8.240 nan 0.000 0.551 11 K N 0.251 120.507 120.400 -0.240 0.000 2.515 11 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 11 K C 1.685 178.164 176.600 -0.202 0.000 1.038 11 K CA 0.741 56.911 56.287 -0.195 0.000 0.967 11 K CB -0.030 32.410 32.500 -0.100 0.000 0.780 11 K HN 0.474 nan 8.250 nan 0.000 0.483 12 S N -0.455 115.101 115.700 -0.241 0.000 2.505 12 S HA 0.208 4.678 4.470 -0.000 0.000 0.216 12 S C 0.488 174.460 174.600 -1.047 0.000 1.018 12 S CA 0.084 58.048 58.200 -0.394 0.000 0.911 12 S CB 1.315 64.469 63.200 -0.077 0.000 0.818 12 S HN 0.491 nan 8.310 nan 0.000 0.497 13 G N 1.042 109.288 108.800 -0.923 0.000 2.352 13 G HA2 0.210 4.170 3.960 -0.000 0.000 0.302 13 G HA3 0.210 4.170 3.960 -0.000 0.000 0.302 13 G C -1.796 172.925 174.900 -0.299 0.000 1.370 13 G CA -1.099 43.371 45.100 -1.051 0.000 0.918 13 G HN 0.041 nan 8.290 nan 0.000 0.610 14 K N -0.882 119.536 120.400 0.030 0.000 2.202 14 K HA 0.646 4.966 4.320 -0.000 0.000 0.264 14 K C -0.612 176.359 176.600 0.618 0.000 1.010 14 K CA -0.469 55.976 56.287 0.264 0.000 0.940 14 K CB 1.836 34.446 32.500 0.183 0.000 0.983 14 K HN 0.336 nan 8.250 nan 0.000 0.475 15 V N 2.857 123.062 119.914 0.484 0.000 2.808 15 V HA 0.315 4.435 4.120 -0.000 0.000 0.308 15 V C -1.357 175.020 176.094 0.472 0.000 1.099 15 V CA -0.879 61.763 62.300 0.569 0.000 0.920 15 V CB 2.011 34.210 31.823 0.625 0.000 1.014 15 V HN 0.728 nan 8.190 nan 0.000 0.425 16 M N 4.660 124.517 119.600 0.427 0.000 2.134 16 M HA 0.778 5.258 4.480 -0.000 0.000 0.310 16 M C 0.054 176.494 176.300 0.233 0.000 0.966 16 M CA 0.094 55.578 55.300 0.307 0.000 0.922 16 M CB 1.202 33.911 32.600 0.183 0.000 1.537 16 M HN 0.697 nan 8.290 nan 0.000 0.424 17 G N 1.514 110.379 108.800 0.110 0.000 2.532 17 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 17 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 17 G C -1.077 173.638 174.900 -0.309 0.000 1.349 17 G CA -0.416 44.433 45.100 -0.418 0.000 1.038 17 G HN 0.671 nan 8.290 nan 0.000 0.518 18 T N -1.565 112.756 114.554 -0.387 0.000 2.900 18 T HA 0.517 4.867 4.350 -0.000 0.000 0.295 18 T C -0.487 174.095 174.700 -0.197 0.000 1.044 18 T CA -0.728 61.239 62.100 -0.222 0.000 0.995 18 T CB 1.378 70.143 68.868 -0.171 0.000 1.072 18 T HN 0.569 nan 8.240 nan 0.000 0.473 19 R N 3.110 123.546 120.500 -0.107 0.000 2.234 19 R HA 0.611 4.951 4.340 -0.000 0.000 0.324 19 R C -0.347 175.957 176.300 0.006 0.000 1.054 19 R CA -0.512 55.562 56.100 -0.042 0.000 0.912 19 R CB 0.309 30.584 30.300 -0.041 0.000 1.030 19 R HN 0.543 nan 8.270 nan 0.000 0.455 20 V N 2.386 122.328 119.914 0.046 0.000 2.815 20 V HA 0.727 4.847 4.120 -0.000 0.000 0.314 20 V C -2.676 173.457 176.094 0.066 0.000 1.064 20 V CA -2.988 59.341 62.300 0.048 0.000 0.952 20 V CB 1.767 33.597 31.823 0.012 0.000 1.020 20 V HN 0.706 nan 8.190 nan 0.000 0.439 21 P HA 0.503 nan 4.420 nan 0.000 0.277 21 P C -0.952 176.189 177.300 -0.265 0.000 1.240 21 P CA -0.255 62.703 63.100 -0.237 0.000 0.798 21 P CB 1.410 33.013 31.700 -0.161 0.000 0.979 22 V N 5.202 124.876 119.914 -0.399 0.000 2.716 22 V HA 0.178 4.298 4.120 -0.000 0.000 0.284 22 V C -0.454 175.346 176.094 -0.489 0.000 1.129 22 V CA -0.722 61.336 62.300 -0.405 0.000 0.926 22 V CB 0.213 31.754 31.823 -0.469 0.000 1.051 22 V HN 0.485 nan 8.190 nan 0.000 0.458 23 L N 5.949 127.034 121.223 -0.230 0.000 3.879 23 L HA -0.248 4.092 4.340 -0.000 0.000 0.481 23 L C 1.116 177.854 176.870 -0.221 0.000 1.232 23 L CA 0.976 55.712 54.840 -0.173 0.000 0.736 23 L CB -2.045 39.948 42.059 -0.109 0.000 1.511 23 L HN 1.093 nan 8.230 nan 0.000 0.830 24 S N -3.073 112.498 115.700 -0.215 0.000 2.929 24 S HA -0.232 4.238 4.470 -0.000 0.000 0.271 24 S C 0.560 175.031 174.600 -0.215 0.000 1.295 24 S CA 1.528 59.626 58.200 -0.170 0.000 1.277 24 S CB -0.604 62.557 63.200 -0.066 0.000 1.557 24 S HN 0.819 nan 8.310 nan 0.000 0.666 25 S N -0.725 114.748 115.700 -0.378 0.000 2.855 25 S HA 0.846 5.316 4.470 -0.000 0.000 0.308 25 S C -0.946 173.319 174.600 -0.557 0.000 1.077 25 S CA -0.534 57.502 58.200 -0.273 0.000 0.896 25 S CB 0.993 64.131 63.200 -0.104 0.000 1.339 25 S HN 0.471 nan 8.310 nan 0.000 0.602 26 H N -0.627 118.412 119.070 -0.052 0.000 2.980 26 H HA 0.732 5.288 4.556 -0.000 0.000 0.367 26 H C -0.996 174.365 175.328 0.055 0.000 1.206 26 H CA -0.466 55.566 56.048 -0.026 0.000 1.126 26 H CB 1.531 31.293 29.762 0.000 0.000 1.838 26 H HN 0.533 nan 8.280 nan 0.000 0.552 27 I N 0.002 120.683 120.570 0.184 0.000 3.006 27 I HA 0.404 4.574 4.170 -0.000 0.000 0.306 27 I C -0.900 175.308 176.117 0.152 0.000 1.250 27 I CA -0.551 60.872 61.300 0.205 0.000 0.996 27 I CB 2.099 40.245 38.000 0.243 0.000 1.261 27 I HN 0.574 nan 8.210 nan 0.000 0.442 28 S N 3.811 119.605 115.700 0.156 0.000 2.525 28 S HA 0.788 5.258 4.470 -0.000 0.000 0.278 28 S C -0.499 174.057 174.600 -0.074 0.000 1.234 28 S CA -0.556 57.652 58.200 0.013 0.000 1.058 28 S CB 1.453 64.724 63.200 0.118 0.000 0.983 28 S HN 0.641 nan 8.310 nan 0.000 0.495 29 A N 2.485 125.077 122.820 -0.381 0.000 2.374 29 A HA 0.784 5.104 4.320 -0.000 0.000 0.305 29 A C -1.306 175.866 177.584 -0.685 0.000 1.053 29 A CA -0.663 51.075 52.037 -0.499 0.000 0.726 29 A CB 0.529 19.233 19.000 -0.492 0.000 1.229 29 A HN 0.657 nan 8.150 nan 0.000 0.431 30 F N 2.767 122.566 119.950 -0.251 0.000 2.366 30 F HA 0.485 5.012 4.527 -0.000 0.000 0.366 30 F C -0.136 175.536 175.800 -0.214 0.000 1.096 30 F CA -0.395 57.538 58.000 -0.111 0.000 1.060 30 F CB 1.242 40.252 39.000 0.016 0.000 1.282 30 F HN 0.350 nan 8.300 nan 0.000 0.450 31 L N 2.239 123.426 121.223 -0.059 0.000 2.322 31 L HA 0.682 5.022 4.340 -0.000 0.000 0.279 31 L C 0.995 177.914 176.870 0.083 0.000 1.036 31 L CA -1.023 53.798 54.840 -0.031 0.000 0.807 31 L CB 1.482 43.481 42.059 -0.101 0.000 1.226 31 L HN 0.840 nan 8.230 nan 0.000 0.433 32 G N 3.128 111.995 108.800 0.110 0.000 2.295 32 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.287 32 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.287 32 G C -0.117 174.863 174.900 0.133 0.000 1.055 32 G CA -0.231 44.930 45.100 0.102 0.000 0.922 32 G HN 0.481 nan 8.290 nan 0.000 0.503 33 I N 1.925 122.497 120.570 0.004 0.000 2.416 33 I HA 0.239 4.409 4.170 -0.000 0.000 0.288 33 I C -1.409 174.525 176.117 -0.305 0.000 1.051 33 I CA -2.174 58.961 61.300 -0.274 0.000 1.375 33 I CB 1.196 39.010 38.000 -0.309 0.000 1.407 33 I HN 0.012 nan 8.210 nan 0.000 0.516 34 P HA 0.091 nan 4.420 nan 0.000 0.279 34 P C -0.354 176.623 177.300 -0.538 0.000 1.239 34 P CA -0.052 62.589 63.100 -0.766 0.000 0.789 34 P CB 0.704 31.833 31.700 -0.952 0.000 0.933 35 F N 0.360 119.992 119.950 -0.530 0.000 2.746 35 F HA 0.740 5.267 4.527 -0.000 0.000 0.320 35 F C -0.040 175.684 175.800 -0.127 0.000 1.097 35 F CA -0.723 57.062 58.000 -0.358 0.000 1.195 35 F CB 0.138 38.870 39.000 -0.447 0.000 1.056 35 F HN 0.364 nan 8.300 nan 0.000 0.562 36 A N 0.040 122.483 122.820 -0.628 0.000 2.593 36 A HA 0.623 4.943 4.320 -0.000 0.000 0.290 36 A C -0.944 176.436 177.584 -0.339 0.000 1.126 36 A CA -0.765 51.043 52.037 -0.382 0.000 0.695 36 A CB 1.073 19.792 19.000 -0.468 0.000 1.290 36 A HN 0.054 nan 8.150 nan 0.000 0.414 37 E N 0.757 120.854 120.200 -0.172 0.000 2.366 37 E HA 0.310 4.660 4.350 -0.000 0.000 0.266 37 E C -2.364 174.140 176.600 -0.160 0.000 1.051 37 E CA -1.473 54.857 56.400 -0.117 0.000 0.884 37 E CB 0.241 29.917 29.700 -0.040 0.000 1.006 37 E HN 0.228 nan 8.360 nan 0.000 0.417 38 P HA 0.050 nan 4.420 nan 0.000 0.261 38 P C -2.304 174.942 177.300 -0.089 0.000 1.203 38 P CA -0.838 62.197 63.100 -0.109 0.000 0.767 38 P CB -0.060 31.617 31.700 -0.039 0.000 0.785 39 P HA -0.006 nan 4.420 nan 0.000 0.225 39 P C -0.192 177.057 177.300 -0.085 0.000 1.768 39 P CA 0.153 63.204 63.100 -0.082 0.000 0.943 39 P CB -0.241 31.411 31.700 -0.079 0.000 1.936 40 V N -3.225 116.646 119.914 -0.071 0.000 3.211 40 V HA 0.875 4.995 4.120 -0.000 0.000 0.319 40 V C 1.279 177.334 176.094 -0.065 0.000 1.096 40 V CA -0.001 62.256 62.300 -0.072 0.000 1.029 40 V CB 0.509 32.300 31.823 -0.053 0.000 1.137 40 V HN 0.516 nan 8.190 nan 0.000 0.453 41 G N 2.109 110.870 108.800 -0.066 0.000 2.665 41 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.326 41 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.326 41 G C 0.783 175.650 174.900 -0.056 0.000 1.231 41 G CA 1.117 46.186 45.100 -0.051 0.000 0.992 41 G HN 1.769 nan 8.290 nan 0.000 0.549 42 N N 1.166 119.854 118.700 -0.020 0.000 2.571 42 N HA 0.105 4.844 4.740 -0.000 0.000 0.189 42 N C 1.959 177.464 175.510 -0.009 0.000 1.154 42 N CA 1.632 54.683 53.050 0.003 0.000 0.907 42 N CB -0.120 38.384 38.487 0.028 0.000 0.977 42 N HN 0.642 nan 8.380 nan 0.000 0.449 43 M N -0.256 119.322 119.600 -0.037 0.000 2.441 43 M HA 0.115 4.595 4.480 -0.000 0.000 0.244 43 M C 0.610 176.864 176.300 -0.078 0.000 1.122 43 M CA -0.341 54.938 55.300 -0.035 0.000 1.041 43 M CB 0.504 33.086 32.600 -0.030 0.000 1.438 43 M HN 0.032 nan 8.290 nan 0.000 0.484 44 R N 0.784 121.177 120.500 -0.179 0.000 2.522 44 R HA -0.062 4.278 4.340 -0.000 0.000 0.284 44 R C -0.546 175.509 176.300 -0.408 0.000 1.032 44 R CA 0.768 56.633 56.100 -0.391 0.000 1.049 44 R CB 0.148 30.064 30.300 -0.639 0.000 0.956 44 R HN 0.255 nan 8.270 nan 0.000 0.422 45 F N -0.316 119.631 119.950 -0.004 0.000 2.398 45 F HA -0.250 4.277 4.527 -0.000 0.000 0.484 45 F C 0.411 176.190 175.800 -0.035 0.000 0.537 45 F CA 0.651 58.624 58.000 -0.045 0.000 1.491 45 F CB -1.487 37.477 39.000 -0.059 0.000 2.162 45 F HN 0.636 nan 8.300 nan 0.000 0.263 46 R N 1.246 121.816 120.500 0.116 0.000 2.528 46 R HA 0.532 4.872 4.340 -0.000 0.000 0.271 46 R C 0.655 176.980 176.300 0.043 0.000 1.056 46 R CA -0.860 55.283 56.100 0.072 0.000 1.117 46 R CB 0.683 31.011 30.300 0.046 0.000 1.085 46 R HN 0.092 nan 8.270 nan 0.000 0.530 47 R N 1.843 122.368 120.500 0.042 0.000 2.698 47 R HA 0.048 4.387 4.340 -0.000 0.000 0.266 47 R C -1.983 174.338 176.300 0.034 0.000 1.026 47 R CA -1.079 55.045 56.100 0.039 0.000 1.102 47 R CB -0.262 30.068 30.300 0.050 0.000 0.978 47 R HN 0.386 nan 8.270 nan 0.000 0.436 48 P HA 0.123 nan 4.420 nan 0.000 0.274 48 P C -0.927 176.397 177.300 0.041 0.000 1.246 48 P CA -0.203 62.916 63.100 0.031 0.000 0.795 48 P CB 0.716 32.453 31.700 0.062 0.000 1.006 49 E N 0.935 121.148 120.200 0.021 0.000 2.256 49 E HA 0.485 4.835 4.350 -0.000 0.000 0.267 49 E C -2.531 174.094 176.600 0.043 0.000 0.892 49 E CA -2.715 53.707 56.400 0.036 0.000 0.775 49 E CB 0.752 30.466 29.700 0.024 0.000 1.207 49 E HN 0.233 nan 8.360 nan 0.000 0.420 50 P HA -0.039 nan 4.420 nan 0.000 0.265 50 P C -1.104 176.246 177.300 0.084 0.000 1.187 50 P CA -0.069 63.097 63.100 0.110 0.000 0.766 50 P CB 0.378 32.146 31.700 0.114 0.000 0.820 51 K N 4.003 124.465 120.400 0.103 0.000 2.412 51 K HA 0.051 4.371 4.320 -0.000 0.000 0.281 51 K C -0.025 176.670 176.600 0.159 0.000 1.027 51 K CA 0.355 56.700 56.287 0.097 0.000 0.989 51 K CB 0.081 32.644 32.500 0.105 0.000 0.935 51 K HN 0.238 nan 8.250 nan 0.000 0.475 52 K N 5.564 126.053 120.400 0.148 0.000 2.237 52 K HA 0.198 4.518 4.320 -0.000 0.000 0.270 52 K C -2.205 174.507 176.600 0.187 0.000 1.015 52 K CA -1.760 54.608 56.287 0.136 0.000 0.949 52 K CB 0.103 32.672 32.500 0.115 0.000 0.976 52 K HN 0.517 nan 8.250 nan 0.000 0.472 53 P HA -0.072 nan 4.420 nan 0.000 0.265 53 P C -1.038 176.322 177.300 0.100 0.000 1.187 53 P CA 0.163 63.227 63.100 -0.060 0.000 0.766 53 P CB 0.182 31.811 31.700 -0.118 0.000 0.820 54 W N 1.523 122.903 121.300 0.134 0.000 2.719 54 W HA 0.708 5.368 4.660 -0.000 0.000 0.352 54 W C -0.705 175.897 176.519 0.138 0.000 1.085 54 W CA -0.900 56.545 57.345 0.167 0.000 1.187 54 W CB 0.225 29.863 29.460 0.296 0.000 1.417 54 W HN 0.373 nan 8.180 nan 0.000 0.557 55 S N 1.276 117.162 115.700 0.310 0.000 2.681 55 S HA 0.911 5.381 4.470 -0.000 0.000 0.299 55 S C 0.327 175.120 174.600 0.320 0.000 1.113 55 S CA -0.135 58.172 58.200 0.178 0.000 1.013 55 S CB 1.040 64.304 63.200 0.107 0.000 1.076 55 S HN 2.172 nan 8.310 nan 0.000 0.534 56 G N -0.457 108.473 108.800 0.217 0.000 2.660 56 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.215 56 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.215 56 G C -0.960 174.137 174.900 0.329 0.000 1.345 56 G CA -0.420 44.813 45.100 0.221 0.000 0.877 56 G HN 1.591 nan 8.290 nan 0.000 0.549 57 V N 0.803 120.880 119.914 0.272 0.000 2.370 57 V HA 0.493 4.613 4.120 -0.000 0.000 0.283 57 V C 0.326 176.603 176.094 0.305 0.000 1.023 57 V CA -0.533 61.961 62.300 0.323 0.000 0.857 57 V CB 1.714 33.655 31.823 0.197 0.000 0.985 57 V HN 0.702 nan 8.190 nan 0.000 0.443 58 W N 5.356 126.808 121.300 0.253 0.000 2.304 58 W HA 0.214 4.874 4.660 -0.000 0.000 0.313 58 W C 0.261 176.799 176.519 0.033 0.000 1.323 58 W CA -0.400 56.926 57.345 -0.031 0.000 1.223 58 W CB 0.830 30.108 29.460 -0.302 0.000 1.237 58 W HN 0.625 nan 8.180 nan 0.000 0.535 59 N N 4.647 123.232 118.700 -0.192 0.000 2.399 59 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 59 N C -0.405 175.185 175.510 0.134 0.000 1.160 59 N CA 0.220 53.241 53.050 -0.049 0.000 0.946 59 N CB 0.862 39.251 38.487 -0.164 0.000 1.156 59 N HN 0.370 nan 8.380 nan 0.000 0.489 60 A N 2.770 125.740 122.820 0.250 0.000 3.213 60 A HA 0.196 4.516 4.320 -0.000 0.000 0.308 60 A C 1.054 178.667 177.584 0.049 0.000 1.177 60 A CA -0.382 51.804 52.037 0.249 0.000 1.010 60 A CB -0.486 18.729 19.000 0.358 0.000 1.092 60 A HN 0.634 nan 8.150 nan 0.000 0.583 61 S N -0.925 114.768 115.700 -0.011 0.000 2.524 61 S HA 0.156 4.626 4.470 -0.000 0.000 0.215 61 S C 0.775 175.301 174.600 -0.123 0.000 0.986 61 S CA 0.643 58.789 58.200 -0.090 0.000 0.911 61 S CB -0.233 62.919 63.200 -0.081 0.000 0.805 61 S HN 0.830 nan 8.310 nan 0.000 0.501 62 T N -0.999 113.503 114.554 -0.087 0.000 2.906 62 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 62 T C -0.865 173.823 174.700 -0.019 0.000 1.061 62 T CA -0.754 61.284 62.100 -0.103 0.000 1.000 62 T CB 0.767 69.591 68.868 -0.073 0.000 1.103 62 T HN 0.051 nan 8.240 nan 0.000 0.486 63 Y N 2.742 123.015 120.300 -0.045 0.000 2.550 63 Y HA 0.330 4.880 4.550 -0.000 0.000 0.343 63 Y C -1.391 174.456 175.900 -0.089 0.000 1.245 63 Y CA -1.602 56.475 58.100 -0.039 0.000 1.462 63 Y CB 0.048 38.504 38.460 -0.006 0.000 1.340 63 Y HN 0.560 nan 8.280 nan 0.000 0.604 64 P HA 0.122 nan 4.420 nan 0.000 0.293 64 P C -0.605 176.620 177.300 -0.124 0.000 1.304 64 P CA -0.503 62.482 63.100 -0.192 0.000 0.767 64 P CB 0.997 32.486 31.700 -0.352 0.000 1.247 65 N N -0.174 118.421 118.700 -0.176 0.000 2.381 65 N HA 0.162 4.902 4.740 -0.000 0.000 0.254 65 N C -0.035 175.445 175.510 -0.049 0.000 1.264 65 N CA 0.019 53.015 53.050 -0.090 0.000 0.942 65 N CB -0.167 38.274 38.487 -0.077 0.000 1.190 65 N HN 0.394 nan 8.380 nan 0.000 0.495 66 N N -0.897 117.768 118.700 -0.058 0.000 2.466 66 N HA 0.332 5.072 4.740 -0.000 0.000 0.294 66 N C -0.444 175.027 175.510 -0.064 0.000 1.129 66 N CA -0.687 52.323 53.050 -0.066 0.000 0.931 66 N CB 1.141 39.566 38.487 -0.103 0.000 1.193 66 N HN 0.389 nan 8.380 nan 0.000 0.500 67 c N 1.053 119.616 118.600 -0.063 0.000 2.700 67 c HA 0.035 4.605 4.570 -0.000 0.000 0.397 67 c C 0.633 174.641 174.090 -0.137 0.000 1.301 67 c CA -0.510 55.764 56.329 -0.091 0.000 2.219 67 c CB -0.083 42.397 42.510 -0.051 0.000 2.699 67 c HN 0.528 nan 8.230 nan 0.000 0.669 68 Q N 2.498 122.140 119.800 -0.264 0.000 2.289 68 Q HA 0.227 4.566 4.340 -0.000 0.000 0.273 68 Q C -0.037 175.913 176.000 -0.084 0.000 1.029 68 Q CA 0.870 56.498 55.803 -0.292 0.000 0.896 68 Q CB 0.538 28.845 28.738 -0.718 0.000 1.182 68 Q HN 0.864 nan 8.270 nan 0.000 0.385 69 Q N 1.702 121.535 119.800 0.055 0.000 2.575 69 Q HA 0.287 4.627 4.340 -0.000 0.000 0.290 69 Q C -1.274 174.893 176.000 0.279 0.000 0.963 69 Q CA -1.009 54.921 55.803 0.212 0.000 0.783 69 Q CB 0.816 29.641 28.738 0.145 0.000 1.467 69 Q HN 0.493 nan 8.270 nan 0.000 0.402 70 Y N 1.065 121.544 120.300 0.299 0.000 2.702 70 Y HA 0.328 4.877 4.550 -0.000 0.000 0.336 70 Y C -1.089 174.977 175.900 0.277 0.000 1.235 70 Y CA 0.421 58.726 58.100 0.342 0.000 1.492 70 Y CB 0.860 39.641 38.460 0.534 0.000 1.308 70 Y HN 0.431 nan 8.280 nan 0.000 0.589 71 V N 6.430 126.085 119.914 -0.432 0.000 2.448 71 V HA 0.134 4.254 4.120 -0.000 0.000 0.295 71 V C -0.764 175.019 176.094 -0.518 0.000 1.025 71 V CA -1.026 61.100 62.300 -0.290 0.000 0.859 71 V CB 1.528 33.264 31.823 -0.144 0.000 0.988 71 V HN 0.794 nan 8.190 nan 0.000 0.431 72 D N 3.746 124.080 120.400 -0.111 0.000 2.358 72 D HA 0.131 4.771 4.640 -0.000 0.000 0.258 72 D C 0.478 176.823 176.300 0.074 0.000 1.223 72 D CA 0.299 54.353 54.000 0.090 0.000 0.886 72 D CB 0.903 41.918 40.800 0.358 0.000 1.120 72 D HN 0.663 nan 8.370 nan 0.000 0.482 73 E N 2.624 122.836 120.200 0.020 0.000 2.685 73 E HA 0.019 4.369 4.350 -0.000 0.000 0.208 73 E C 0.977 177.552 176.600 -0.042 0.000 0.996 73 E CA -0.304 56.101 56.400 0.008 0.000 1.054 73 E CB 0.688 30.368 29.700 -0.033 0.000 1.075 73 E HN 0.433 nan 8.360 nan 0.000 0.460 74 Q N -0.464 119.284 119.800 -0.087 0.000 2.046 74 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 74 Q C 0.006 175.603 176.000 -0.672 0.000 0.975 74 Q CA 1.194 56.699 55.803 -0.498 0.000 0.836 74 Q CB 0.209 28.423 28.738 -0.872 0.000 0.896 74 Q HN 0.234 nan 8.270 nan 0.000 0.428 75 F N 0.715 120.738 119.950 0.122 0.000 2.453 75 F HA 0.358 4.885 4.527 -0.000 0.000 0.358 75 F C -2.100 173.786 175.800 0.143 0.000 1.129 75 F CA -2.826 55.233 58.000 0.099 0.000 1.200 75 F CB 0.976 40.039 39.000 0.105 0.000 1.431 75 F HN -0.151 nan 8.300 nan 0.000 0.503 76 P HA 0.110 nan 4.420 nan 0.000 0.258 76 P C 1.022 178.413 177.300 0.152 0.000 1.172 76 P CA 1.248 64.428 63.100 0.134 0.000 0.762 76 P CB 0.599 32.341 31.700 0.070 0.000 0.764 77 G N 2.741 111.620 108.800 0.132 0.000 2.234 77 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 77 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 77 G C 0.037 175.020 174.900 0.139 0.000 0.987 77 G CA -0.409 44.752 45.100 0.101 0.000 0.625 77 G HN 0.532 nan 8.290 nan 0.000 0.532 78 F N 3.274 123.239 119.950 0.024 0.000 2.472 78 F HA 0.510 5.037 4.527 -0.000 0.000 0.364 78 F C 1.691 177.457 175.800 -0.057 0.000 1.090 78 F CA -0.237 57.731 58.000 -0.054 0.000 1.188 78 F CB 1.118 40.081 39.000 -0.062 0.000 1.105 78 F HN 0.237 nan 8.300 nan 0.000 0.536 79 S N 3.292 118.620 115.700 -0.620 0.000 2.419 79 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 79 S C 2.194 176.387 174.600 -0.677 0.000 1.016 79 S CA 0.821 58.693 58.200 -0.547 0.000 0.974 79 S CB -1.104 61.830 63.200 -0.444 0.000 0.786 79 S HN 0.804 nan 8.310 nan 0.000 0.492 80 G N 1.893 109.793 108.800 -1.499 0.000 2.440 80 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 80 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 80 G C 1.752 176.884 174.900 0.387 0.000 1.154 80 G CA 1.353 45.917 45.100 -0.893 0.000 0.767 80 G HN 0.784 nan 8.290 nan 0.000 0.552 81 S N -0.150 115.809 115.700 0.431 0.000 2.441 81 S HA 0.128 4.598 4.470 -0.000 0.000 0.224 81 S C 1.884 176.793 174.600 0.515 0.000 1.043 81 S CA 0.902 59.641 58.200 0.899 0.000 0.948 81 S CB -0.042 63.808 63.200 1.084 0.000 0.810 81 S HN 0.409 nan 8.310 nan 0.000 0.504 82 E N 1.779 122.118 120.200 0.232 0.000 2.268 82 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 82 E C 2.047 178.617 176.600 -0.050 0.000 0.995 82 E CA 1.203 57.662 56.400 0.098 0.000 0.836 82 E CB -0.431 29.295 29.700 0.043 0.000 0.763 82 E HN 0.831 nan 8.360 nan 0.000 0.491 83 M N -1.763 117.711 119.600 -0.211 0.000 2.446 83 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 83 M C 0.996 176.944 176.300 -0.586 0.000 1.066 83 M CA 1.383 56.399 55.300 -0.473 0.000 1.087 83 M CB -0.360 31.831 32.600 -0.681 0.000 1.406 83 M HN 0.043 nan 8.290 nan 0.000 0.459 84 W N 1.090 122.358 121.300 -0.054 0.000 3.077 84 W HA 0.247 4.907 4.660 -0.000 0.000 0.266 84 W C 0.406 176.865 176.519 -0.100 0.000 1.300 84 W CA -0.872 56.411 57.345 -0.103 0.000 1.586 84 W CB -0.159 29.262 29.460 -0.064 0.000 1.103 84 W HN 0.120 nan 8.180 nan 0.000 0.652 85 N N 1.415 120.175 118.700 0.100 0.000 2.503 85 N HA 0.147 4.887 4.740 -0.000 0.000 0.267 85 N C -2.473 173.017 175.510 -0.034 0.000 1.214 85 N CA -1.627 51.450 53.050 0.045 0.000 0.959 85 N CB -0.129 38.386 38.487 0.046 0.000 1.142 85 N HN -0.354 nan 8.380 nan 0.000 0.455 86 P HA 0.013 nan 4.420 nan 0.000 0.262 86 P C 0.189 177.447 177.300 -0.070 0.000 1.182 86 P CA 0.132 63.185 63.100 -0.078 0.000 0.761 86 P CB 0.246 31.907 31.700 -0.066 0.000 0.795 87 N N 2.366 121.016 118.700 -0.084 0.000 2.238 87 N HA 0.089 4.829 4.740 -0.000 0.000 0.222 87 N C 0.146 175.633 175.510 -0.038 0.000 1.133 87 N CA -0.012 53.001 53.050 -0.062 0.000 0.854 87 N CB 0.333 38.776 38.487 -0.073 0.000 1.041 87 N HN 0.154 nan 8.380 nan 0.000 0.510 88 R N 0.195 120.667 120.500 -0.046 0.000 2.836 88 R HA 0.287 4.627 4.340 -0.000 0.000 0.269 88 R C -0.630 175.644 176.300 -0.044 0.000 1.010 88 R CA -0.667 55.413 56.100 -0.033 0.000 0.930 88 R CB 1.362 31.644 30.300 -0.030 0.000 1.218 88 R HN 0.272 nan 8.270 nan 0.000 0.473 89 E N 1.587 121.762 120.200 -0.042 0.000 2.442 89 E HA 0.013 4.363 4.350 -0.000 0.000 0.262 89 E C -0.361 176.206 176.600 -0.055 0.000 1.004 89 E CA 0.228 56.601 56.400 -0.045 0.000 0.928 89 E CB 0.628 30.301 29.700 -0.045 0.000 0.937 89 E HN 0.252 nan 8.360 nan 0.000 0.446 90 M N 2.465 122.031 119.600 -0.056 0.000 2.274 90 M HA 0.215 4.695 4.480 -0.000 0.000 0.344 90 M C -0.157 176.094 176.300 -0.081 0.000 1.161 90 M CA 0.050 55.307 55.300 -0.072 0.000 1.126 90 M CB 1.623 34.181 32.600 -0.070 0.000 1.522 90 M HN 0.392 nan 8.290 nan 0.000 0.461 91 S N 0.675 116.316 115.700 -0.099 0.000 2.543 91 S HA 0.207 4.677 4.470 -0.000 0.000 0.274 91 S C -0.047 174.470 174.600 -0.139 0.000 1.149 91 S CA -0.693 57.445 58.200 -0.103 0.000 0.866 91 S CB 1.500 64.665 63.200 -0.057 0.000 1.111 91 S HN 0.844 nan 8.310 nan 0.000 0.457 92 E N 0.895 120.990 120.200 -0.174 0.000 2.347 92 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 92 E C -0.316 176.221 176.600 -0.104 0.000 1.008 92 E CA 0.516 56.790 56.400 -0.209 0.000 0.852 92 E CB 0.134 29.706 29.700 -0.214 0.000 0.783 92 E HN 0.532 nan 8.360 nan 0.000 0.505 93 D N -0.016 120.359 120.400 -0.042 0.000 2.517 93 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 93 D C 0.068 176.468 176.300 0.166 0.000 1.158 93 D CA -0.226 53.800 54.000 0.043 0.000 0.992 93 D CB -0.111 40.733 40.800 0.073 0.000 1.058 93 D HN 0.137 nan 8.370 nan 0.000 0.516 94 c N 1.890 120.559 118.600 0.114 0.000 3.785 94 c HA 0.380 4.950 4.570 -0.000 0.000 0.312 94 c C 0.795 174.996 174.090 0.185 0.000 1.566 94 c CA -0.654 55.805 56.329 0.217 0.000 1.837 94 c CB -1.245 41.304 42.510 0.066 0.000 2.826 94 c HN 0.389 nan 8.230 nan 0.000 0.667 95 L N 2.660 123.733 121.223 -0.248 0.000 2.415 95 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 95 L C -0.780 175.425 176.870 -1.107 0.000 1.244 95 L CA 0.677 55.127 54.840 -0.648 0.000 1.113 95 L CB -0.801 40.694 42.059 -0.939 0.000 1.352 95 L HN 0.393 nan 8.230 nan 0.000 0.433 96 Y N 2.131 122.381 120.300 -0.083 0.000 2.634 96 Y HA 0.708 5.258 4.550 -0.000 0.000 0.340 96 Y C -0.126 175.935 175.900 0.268 0.000 1.058 96 Y CA -1.289 56.826 58.100 0.025 0.000 1.081 96 Y CB 1.853 40.289 38.460 -0.039 0.000 1.295 96 Y HN 0.194 nan 8.280 nan 0.000 0.487 97 L N -0.353 121.016 121.223 0.243 0.000 2.415 97 L HA 0.762 5.102 4.340 -0.000 0.000 0.256 97 L C -1.446 175.433 176.870 0.014 0.000 1.010 97 L CA -1.049 53.842 54.840 0.086 0.000 0.826 97 L CB 2.017 44.000 42.059 -0.127 0.000 1.405 97 L HN 0.464 nan 8.230 nan 0.000 0.410 98 N N 1.709 120.434 118.700 0.041 0.000 2.272 98 N HA 0.777 5.517 4.740 -0.000 0.000 0.305 98 N C -1.279 174.159 175.510 -0.120 0.000 1.103 98 N CA -0.292 52.714 53.050 -0.074 0.000 0.791 98 N CB 2.734 41.197 38.487 -0.041 0.000 1.356 98 N HN 0.671 nan 8.380 nan 0.000 0.486 99 I N 0.009 120.409 120.570 -0.284 0.000 2.619 99 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 99 I C -0.917 175.120 176.117 -0.133 0.000 1.100 99 I CA -0.726 60.521 61.300 -0.089 0.000 1.043 99 I CB 2.487 40.380 38.000 -0.177 0.000 1.239 99 I HN 0.238 nan 8.210 nan 0.000 0.420 100 W N 5.563 127.000 121.300 0.227 0.000 2.411 100 W HA 0.575 5.235 4.660 -0.000 0.000 0.317 100 W C -1.123 175.543 176.519 0.245 0.000 1.030 100 W CA -0.673 56.806 57.345 0.223 0.000 1.239 100 W CB 2.168 31.730 29.460 0.170 0.000 1.304 100 W HN 0.087 nan 8.180 nan 0.000 0.437 101 V N 4.985 125.173 119.914 0.455 0.000 2.448 101 V HA 0.289 4.409 4.120 -0.000 0.000 0.295 101 V C -2.018 174.278 176.094 0.337 0.000 1.025 101 V CA -2.456 60.086 62.300 0.403 0.000 0.859 101 V CB 1.784 33.908 31.823 0.501 0.000 0.988 101 V HN 0.242 nan 8.190 nan 0.000 0.431 102 P HA 0.096 nan 4.420 nan 0.000 0.267 102 P C -0.474 176.956 177.300 0.218 0.000 1.200 102 P CA 0.310 63.550 63.100 0.234 0.000 0.772 102 P CB 0.561 32.362 31.700 0.168 0.000 0.855 103 S N 2.358 118.184 115.700 0.210 0.000 2.519 103 S HA 0.552 5.022 4.470 -0.000 0.000 0.309 103 S C -2.378 172.314 174.600 0.153 0.000 1.100 103 S CA -1.652 56.655 58.200 0.178 0.000 1.059 103 S CB 0.084 63.390 63.200 0.176 0.000 1.008 103 S HN 0.250 nan 8.310 nan 0.000 0.478 104 P HA 0.119 nan 4.420 nan 0.000 0.269 104 P C -0.492 176.882 177.300 0.123 0.000 1.215 104 P CA -0.473 62.694 63.100 0.112 0.000 0.780 104 P CB 0.373 32.124 31.700 0.085 0.000 0.898 105 R N 2.562 123.141 120.500 0.132 0.000 2.502 105 R HA 0.109 4.449 4.340 -0.000 0.000 0.292 105 R C -1.867 174.499 176.300 0.109 0.000 0.998 105 R CA -0.932 55.254 56.100 0.144 0.000 1.056 105 R CB -0.473 29.914 30.300 0.146 0.000 0.939 105 R HN 0.368 nan 8.270 nan 0.000 0.411 106 P HA 0.047 nan 4.420 nan 0.000 0.271 106 P C -0.273 177.067 177.300 0.067 0.000 1.233 106 P CA -0.309 62.840 63.100 0.082 0.000 0.789 106 P CB 0.754 32.507 31.700 0.088 0.000 0.951 107 K N -0.166 120.261 120.400 0.046 0.000 2.056 107 K HA 0.107 4.426 4.320 -0.000 0.000 0.205 107 K C 0.586 177.198 176.600 0.019 0.000 1.035 107 K CA 0.942 57.247 56.287 0.030 0.000 0.955 107 K CB -0.055 32.457 32.500 0.021 0.000 0.769 107 K HN 0.288 nan 8.250 nan 0.000 0.447 108 S N 0.647 116.356 115.700 0.015 0.000 2.359 108 S HA 0.192 4.662 4.470 -0.000 0.000 0.148 108 S C -0.934 173.673 174.600 0.010 0.000 1.610 108 S CA -0.552 57.649 58.200 0.002 0.000 1.274 108 S CB 0.747 63.939 63.200 -0.014 0.000 1.380 108 S HN 0.205 nan 8.310 nan 0.000 0.380 109 T N 1.949 116.520 114.554 0.029 0.000 2.881 109 T HA 0.438 4.788 4.350 -0.000 0.000 0.278 109 T C 0.302 175.022 174.700 0.032 0.000 0.982 109 T CA 0.066 62.186 62.100 0.034 0.000 0.989 109 T CB 0.893 69.794 68.868 0.055 0.000 1.058 109 T HN 0.437 nan 8.240 nan 0.000 0.529 110 T N 2.335 116.903 114.554 0.023 0.000 2.930 110 T HA 0.376 4.726 4.350 -0.000 0.000 0.306 110 T C -0.388 174.341 174.700 0.048 0.000 1.045 110 T CA -0.316 61.794 62.100 0.017 0.000 1.134 110 T CB 0.371 69.232 68.868 -0.011 0.000 0.961 110 T HN 0.366 nan 8.240 nan 0.000 0.545 111 V N 4.721 124.670 119.914 0.059 0.000 2.555 111 V HA 0.540 4.660 4.120 -0.000 0.000 0.302 111 V C -0.149 176.010 176.094 0.109 0.000 1.038 111 V CA -0.848 61.513 62.300 0.101 0.000 0.887 111 V CB 1.776 33.667 31.823 0.113 0.000 0.991 111 V HN 0.832 nan 8.190 nan 0.000 0.434 112 M N 4.083 123.777 119.600 0.156 0.000 2.259 112 M HA 0.577 5.057 4.480 -0.000 0.000 0.304 112 M C -1.311 175.253 176.300 0.441 0.000 1.019 112 M CA -0.648 54.771 55.300 0.199 0.000 0.922 112 M CB 2.308 34.894 32.600 -0.024 0.000 1.600 112 M HN 0.365 nan 8.290 nan 0.000 0.433 113 V N 3.010 123.222 119.914 0.496 0.000 2.357 113 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 113 V C -0.811 175.538 176.094 0.425 0.000 1.018 113 V CA -0.597 61.948 62.300 0.409 0.000 0.841 113 V CB 1.450 33.380 31.823 0.178 0.000 0.991 113 V HN 0.858 nan 8.190 nan 0.000 0.437 114 W N 6.974 128.302 121.300 0.047 0.000 2.316 114 W HA 0.619 5.279 4.660 -0.000 0.000 0.311 114 W C -1.251 175.104 176.519 -0.274 0.000 1.217 114 W CA -0.697 56.390 57.345 -0.430 0.000 1.199 114 W CB 1.164 30.433 29.460 -0.318 0.000 1.202 114 W HN 0.438 nan 8.180 nan 0.000 0.528 115 I N 9.050 128.976 120.570 -1.074 0.000 2.382 115 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 115 I C -0.221 175.140 176.117 -1.260 0.000 1.007 115 I CA -1.113 59.645 61.300 -0.904 0.000 1.142 115 I CB 0.754 38.380 38.000 -0.623 0.000 1.289 115 I HN 0.289 nan 8.210 nan 0.000 0.453 116 Y N 4.724 124.576 120.300 -0.747 0.000 2.426 116 Y HA 0.670 5.220 4.550 -0.000 0.000 0.344 116 Y C 0.721 176.450 175.900 -0.285 0.000 1.256 116 Y CA -0.896 56.855 58.100 -0.583 0.000 1.451 116 Y CB -0.117 38.209 38.460 -0.224 0.000 1.342 116 Y HN 0.517 nan 8.280 nan 0.000 0.600 117 G N -0.950 107.882 108.800 0.053 0.000 2.702 117 G HA2 0.501 4.461 3.960 -0.000 0.000 0.254 117 G HA3 0.501 4.461 3.960 -0.000 0.000 0.254 117 G C 0.235 175.090 174.900 -0.075 0.000 1.380 117 G CA -0.952 44.110 45.100 -0.064 0.000 1.042 117 G HN 1.723 nan 8.290 nan 0.000 0.557 118 G N -2.766 105.840 108.800 -0.324 0.000 2.192 118 G HA2 0.401 4.361 3.960 -0.000 0.000 0.152 118 G HA3 0.401 4.361 3.960 -0.000 0.000 0.152 118 G C 1.069 175.417 174.900 -0.920 0.000 1.057 118 G CA 0.710 45.470 45.100 -0.565 0.000 0.748 118 G HN 2.321 nan 8.290 nan 0.000 0.488 119 G N -0.483 107.811 108.800 -0.842 0.000 2.212 119 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.267 119 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.267 119 G C 0.902 175.573 174.900 -0.382 0.000 1.002 119 G CA 0.861 45.312 45.100 -1.081 0.000 0.729 119 G HN 1.807 nan 8.290 nan 0.000 0.517 120 F N -3.405 116.445 119.950 -0.167 0.000 2.840 120 F HA -0.289 4.238 4.527 -0.000 0.000 0.310 120 F C 1.351 177.230 175.800 0.132 0.000 0.688 120 F CA 2.027 60.036 58.000 0.016 0.000 1.286 120 F CB -2.104 36.776 39.000 -0.201 0.000 1.612 120 F HN 0.942 nan 8.300 nan 0.000 0.335 121 Y N -1.372 118.990 120.300 0.103 0.000 2.499 121 Y HA 0.659 5.209 4.550 -0.000 0.000 0.253 121 Y C 0.544 176.521 175.900 0.128 0.000 1.105 121 Y CA 0.215 58.388 58.100 0.121 0.000 1.240 121 Y CB -0.001 38.439 38.460 -0.033 0.000 1.289 121 Y HN 0.094 nan 8.280 nan 0.000 0.534 122 S N -0.700 114.733 115.700 -0.445 0.000 2.727 122 S HA 0.885 5.355 4.470 -0.000 0.000 0.278 122 S C -0.183 174.222 174.600 -0.325 0.000 1.186 122 S CA -0.556 57.455 58.200 -0.314 0.000 0.836 122 S CB 1.418 64.381 63.200 -0.396 0.000 1.186 122 S HN 1.366 nan 8.310 nan 0.000 0.499 123 G N -0.373 108.215 108.800 -0.352 0.000 2.528 123 G HA2 0.414 4.374 3.960 -0.000 0.000 0.681 123 G HA3 0.414 4.374 3.960 -0.000 0.000 0.681 123 G C -1.010 173.266 174.900 -1.040 0.000 1.340 123 G CA -0.343 44.387 45.100 -0.617 0.000 0.855 123 G HN 1.313 nan 8.290 nan 0.000 0.649 124 S N -0.757 114.371 115.700 -0.953 0.000 2.546 124 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 124 S C 0.989 175.435 174.600 -0.257 0.000 1.121 124 S CA 0.099 57.916 58.200 -0.638 0.000 0.887 124 S CB 1.822 64.853 63.200 -0.282 0.000 1.094 124 S HN 1.964 nan 8.310 nan 0.000 0.474 125 S N -0.085 115.630 115.700 0.025 0.000 2.562 125 S HA -0.044 4.425 4.470 -0.000 0.000 0.221 125 S C 1.275 175.917 174.600 0.070 0.000 0.975 125 S CA 0.820 59.205 58.200 0.309 0.000 0.918 125 S CB -0.572 62.829 63.200 0.334 0.000 0.772 125 S HN 0.830 nan 8.310 nan 0.000 0.531 126 T N 0.120 114.548 114.554 -0.209 0.000 3.145 126 T HA 0.429 4.778 4.350 -0.000 0.000 0.255 126 T C 0.455 174.959 174.700 -0.326 0.000 1.039 126 T CA -0.600 61.116 62.100 -0.640 0.000 0.928 126 T CB -0.532 67.873 68.868 -0.772 0.000 1.029 126 T HN 0.304 nan 8.240 nan 0.000 0.554 127 L N 1.576 122.658 121.223 -0.234 0.000 2.467 127 L HA 0.221 4.561 4.340 -0.000 0.000 0.270 127 L C 1.355 178.025 176.870 -0.334 0.000 1.205 127 L CA -0.520 54.091 54.840 -0.382 0.000 0.828 127 L CB 0.323 41.929 42.059 -0.754 0.000 1.101 127 L HN 0.053 nan 8.230 nan 0.000 0.479 128 D N 0.726 120.939 120.400 -0.311 0.000 2.149 128 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 128 D C 1.947 178.062 176.300 -0.308 0.000 0.990 128 D CA 1.162 55.033 54.000 -0.215 0.000 0.839 128 D CB -0.006 40.673 40.800 -0.201 0.000 0.948 128 D HN 0.487 nan 8.370 nan 0.000 0.460 129 V N -1.159 118.425 119.914 -0.549 0.000 2.970 129 V HA -0.146 3.974 4.120 -0.000 0.000 0.260 129 V C 1.282 176.922 176.094 -0.755 0.000 1.100 129 V CA 0.997 62.943 62.300 -0.591 0.000 1.122 129 V CB -1.069 30.339 31.823 -0.691 0.000 0.721 129 V HN 0.089 nan 8.190 nan 0.000 0.483 130 Y N 0.150 120.009 120.300 -0.735 0.000 2.468 130 Y HA 0.395 4.945 4.550 -0.000 0.000 0.268 130 Y C 1.200 176.677 175.900 -0.705 0.000 1.177 130 Y CA -1.628 55.764 58.100 -1.179 0.000 1.265 130 Y CB -1.050 37.050 38.460 -0.601 0.000 1.103 130 Y HN 0.273 nan 8.280 nan 0.000 0.522 131 N N 1.728 120.269 118.700 -0.265 0.000 2.418 131 N HA -0.057 4.683 4.740 -0.000 0.000 0.277 131 N C 1.360 176.588 175.510 -0.470 0.000 1.317 131 N CA 0.728 53.670 53.050 -0.180 0.000 0.922 131 N CB 0.911 39.377 38.487 -0.034 0.000 1.194 131 N HN 0.468 nan 8.380 nan 0.000 0.485 132 G N 3.528 111.521 108.800 -1.345 0.000 2.679 132 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.212 132 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.212 132 G C 1.447 175.663 174.900 -1.140 0.000 1.137 132 G CA 0.646 44.956 45.100 -1.317 0.000 0.787 132 G HN 0.778 nan 8.290 nan 0.000 0.534 133 K N -0.306 119.346 120.400 -1.247 0.000 2.063 133 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 133 K C 1.873 178.264 176.600 -0.349 0.000 1.048 133 K CA 1.335 57.245 56.287 -0.630 0.000 0.928 133 K CB -0.645 31.571 32.500 -0.472 0.000 0.713 133 K HN 0.391 nan 8.250 nan 0.000 0.442 134 Y N 1.048 121.284 120.300 -0.105 0.000 2.145 134 Y HA -0.175 4.375 4.550 -0.000 0.000 0.286 134 Y C 2.456 178.366 175.900 0.016 0.000 1.145 134 Y CA 0.724 58.815 58.100 -0.016 0.000 1.148 134 Y CB -0.379 38.047 38.460 -0.057 0.000 0.981 134 Y HN 0.048 nan 8.280 nan 0.000 0.507 135 L N 0.345 121.609 121.223 0.068 0.000 2.072 135 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 135 L C 2.382 179.269 176.870 0.029 0.000 1.079 135 L CA 1.794 56.628 54.840 -0.010 0.000 0.752 135 L CB -1.130 40.829 42.059 -0.166 0.000 0.906 135 L HN 0.138 nan 8.230 nan 0.000 0.436 136 A N -1.186 121.662 122.820 0.046 0.000 1.883 136 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 136 A C 2.324 180.000 177.584 0.154 0.000 1.186 136 A CA 2.025 54.140 52.037 0.129 0.000 0.624 136 A CB -1.233 17.905 19.000 0.229 0.000 0.822 136 A HN 0.652 nan 8.150 nan 0.000 0.444 137 Y N 0.966 121.295 120.300 0.048 0.000 2.109 137 Y HA -0.192 4.358 4.550 -0.000 0.000 0.285 137 Y C 2.720 178.651 175.900 0.052 0.000 1.131 137 Y CA 2.547 60.681 58.100 0.056 0.000 1.121 137 Y CB -0.661 37.820 38.460 0.034 0.000 0.987 137 Y HN 0.298 nan 8.280 nan 0.000 0.495 138 T N 0.449 115.005 114.554 0.002 0.000 2.720 138 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 138 T C 1.262 175.911 174.700 -0.086 0.000 1.037 138 T CA 1.783 63.827 62.100 -0.093 0.000 1.144 138 T CB -0.174 68.729 68.868 0.059 0.000 0.864 138 T HN 0.340 nan 8.240 nan 0.000 0.444 139 E N 0.609 120.798 120.200 -0.018 0.000 2.481 139 E HA 0.106 4.456 4.350 -0.000 0.000 0.198 139 E C 0.010 176.613 176.600 0.004 0.000 1.027 139 E CA -0.009 56.400 56.400 0.015 0.000 0.900 139 E CB -0.014 29.705 29.700 0.032 0.000 0.993 139 E HN 0.607 nan 8.360 nan 0.000 0.482 140 E N 0.216 120.406 120.200 -0.016 0.000 2.222 140 E HA -0.171 4.178 4.350 -0.000 0.000 0.189 140 E C -0.144 176.484 176.600 0.047 0.000 1.415 140 E CA 0.441 56.848 56.400 0.011 0.000 0.689 140 E CB -1.868 27.828 29.700 -0.007 0.000 1.107 140 E HN 0.108 nan 8.360 nan 0.000 0.350 141 V N -3.428 116.530 119.914 0.072 0.000 3.001 141 V HA 0.651 4.771 4.120 -0.000 0.000 0.314 141 V C 0.292 176.472 176.094 0.144 0.000 1.099 141 V CA -1.186 61.165 62.300 0.084 0.000 0.989 141 V CB 2.335 34.190 31.823 0.053 0.000 1.040 141 V HN -0.009 nan 8.190 nan 0.000 0.434 142 V N 3.442 123.449 119.914 0.156 0.000 2.353 142 V HA 0.373 4.493 4.120 -0.000 0.000 0.264 142 V C -0.075 176.163 176.094 0.241 0.000 1.049 142 V CA -0.008 62.419 62.300 0.211 0.000 0.896 142 V CB 0.829 32.763 31.823 0.186 0.000 1.025 142 V HN 0.765 nan 8.190 nan 0.000 0.475 143 L N 7.156 128.579 121.223 0.333 0.000 2.282 143 L HA 0.639 4.979 4.340 -0.000 0.000 0.288 143 L C -0.471 176.711 176.870 0.521 0.000 1.033 143 L CA 0.099 55.181 54.840 0.404 0.000 0.807 143 L CB 1.530 43.814 42.059 0.375 0.000 1.209 143 L HN 0.402 nan 8.230 nan 0.000 0.423 144 V N 3.509 123.688 119.914 0.442 0.000 2.555 144 V HA 0.595 4.715 4.120 -0.000 0.000 0.302 144 V C -0.337 176.019 176.094 0.436 0.000 1.038 144 V CA -0.519 62.007 62.300 0.375 0.000 0.887 144 V CB 1.951 33.904 31.823 0.216 0.000 0.991 144 V HN 0.864 nan 8.190 nan 0.000 0.434 145 S N 5.127 121.093 115.700 0.444 0.000 2.498 145 S HA 0.821 5.291 4.470 -0.000 0.000 0.317 145 S C -0.704 174.038 174.600 0.236 0.000 1.090 145 S CA -0.782 57.672 58.200 0.424 0.000 1.089 145 S CB 1.524 65.069 63.200 0.575 0.000 0.997 145 S HN 0.674 nan 8.310 nan 0.000 0.470 146 L N 0.716 122.009 121.223 0.116 0.000 2.492 146 L HA 1.005 5.345 4.340 -0.000 0.000 0.263 146 L C 0.025 176.966 176.870 0.119 0.000 1.062 146 L CA -0.648 54.199 54.840 0.011 0.000 0.817 146 L CB 0.386 42.336 42.059 -0.181 0.000 1.441 146 L HN 0.851 nan 8.230 nan 0.000 0.493 147 S N -1.560 114.262 115.700 0.203 0.000 2.607 147 S HA 0.883 5.353 4.470 -0.000 0.000 0.273 147 S C -1.310 173.525 174.600 0.391 0.000 1.148 147 S CA -0.522 57.863 58.200 0.307 0.000 0.833 147 S CB 1.472 64.923 63.200 0.419 0.000 1.130 147 S HN 1.242 nan 8.310 nan 0.000 0.470 148 Y N -1.709 118.692 120.300 0.169 0.000 2.592 148 Y HA 0.691 5.241 4.550 -0.000 0.000 0.334 148 Y C -0.802 175.232 175.900 0.223 0.000 1.136 148 Y CA -1.418 56.784 58.100 0.169 0.000 1.042 148 Y CB 0.677 39.187 38.460 0.085 0.000 1.325 148 Y HN 0.771 nan 8.280 nan 0.000 0.457 149 R N 1.874 122.500 120.500 0.210 0.000 2.489 149 R HA 0.517 4.857 4.340 -0.000 0.000 0.287 149 R C -0.167 176.287 176.300 0.257 0.000 1.053 149 R CA -0.185 55.998 56.100 0.138 0.000 1.036 149 R CB 0.786 31.139 30.300 0.087 0.000 0.966 149 R HN 0.684 nan 8.270 nan 0.000 0.432 150 V N 0.146 120.233 119.914 0.288 0.000 3.234 150 V HA 0.879 4.999 4.120 -0.000 0.000 0.317 150 V C 0.815 177.231 176.094 0.537 0.000 1.147 150 V CA -0.189 62.398 62.300 0.479 0.000 1.037 150 V CB 1.114 33.101 31.823 0.275 0.000 1.148 150 V HN 0.972 nan 8.190 nan 0.000 0.455 151 G N 0.295 109.440 108.800 0.575 0.000 2.601 151 G HA2 0.030 3.990 3.960 -0.000 0.000 0.261 151 G HA3 0.030 3.990 3.960 -0.000 0.000 0.261 151 G C 0.994 176.049 174.900 0.258 0.000 1.289 151 G CA 0.868 46.251 45.100 0.472 0.000 0.920 151 G HN 2.185 nan 8.290 nan 0.000 0.571 152 A N -1.292 121.341 122.820 -0.312 0.000 1.978 152 A HA 0.170 4.490 4.320 -0.000 0.000 0.220 152 A C 2.224 179.609 177.584 -0.332 0.000 1.170 152 A CA 2.581 54.049 52.037 -0.947 0.000 0.636 152 A CB -0.536 17.673 19.000 -1.317 0.000 0.810 152 A HN 0.999 nan 8.150 nan 0.000 0.448 153 F N -0.071 119.934 119.950 0.092 0.000 2.269 153 F HA -0.001 4.526 4.527 -0.000 0.000 0.301 153 F C 2.405 178.231 175.800 0.042 0.000 1.082 153 F CA 1.061 59.128 58.000 0.112 0.000 1.360 153 F CB -0.548 38.454 39.000 0.003 0.000 1.041 153 F HN 0.289 nan 8.300 nan 0.000 0.512 154 G N -2.164 106.720 108.800 0.140 0.000 2.784 154 G HA2 0.078 4.038 3.960 -0.000 0.000 0.208 154 G HA3 0.078 4.038 3.960 -0.000 0.000 0.208 154 G C 0.658 175.070 174.900 -0.812 0.000 1.120 154 G CA 0.073 44.989 45.100 -0.307 0.000 0.774 154 G HN 0.335 nan 8.290 nan 0.000 0.528 155 F N -0.153 119.855 119.950 0.097 0.000 2.837 155 F HA 0.433 4.960 4.527 -0.000 0.000 0.328 155 F C 0.155 175.969 175.800 0.024 0.000 1.173 155 F CA -0.980 57.056 58.000 0.060 0.000 1.160 155 F CB 0.487 39.544 39.000 0.094 0.000 1.115 155 F HN -0.083 nan 8.300 nan 0.000 0.512 156 L N 2.270 123.440 121.223 -0.089 0.000 2.499 156 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 156 L C 0.096 176.906 176.870 -0.101 0.000 1.195 156 L CA 0.237 54.916 54.840 -0.269 0.000 0.882 156 L CB 0.517 42.090 42.059 -0.811 0.000 1.133 156 L HN 0.173 nan 8.230 nan 0.000 0.483 157 A N 6.774 129.591 122.820 -0.005 0.000 2.375 157 A HA 0.645 4.965 4.320 -0.000 0.000 0.291 157 A C -1.014 176.579 177.584 0.015 0.000 1.160 157 A CA -0.460 51.589 52.037 0.020 0.000 0.747 157 A CB 0.670 19.715 19.000 0.074 0.000 1.170 157 A HN 0.694 nan 8.150 nan 0.000 0.458 158 L N 3.535 124.761 121.223 0.005 0.000 2.445 158 L HA 0.254 4.594 4.340 -0.000 0.000 0.252 158 L C -0.058 176.851 176.870 0.064 0.000 1.105 158 L CA -0.789 54.060 54.840 0.016 0.000 0.943 158 L CB 0.543 42.582 42.059 -0.034 0.000 1.277 158 L HN 0.873 nan 8.230 nan 0.000 0.465 159 H N 2.002 121.070 119.070 -0.002 0.000 3.157 159 H HA 0.265 4.821 4.556 -0.000 0.000 0.299 159 H C 1.059 176.392 175.328 0.007 0.000 0.961 159 H CA 1.455 57.508 56.048 0.009 0.000 1.428 159 H CB 0.665 30.436 29.762 0.015 0.000 1.459 159 H HN 0.718 nan 8.280 nan 0.000 0.566 160 G N 2.709 111.274 108.800 -0.393 0.000 2.436 160 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.204 160 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.204 160 G C 0.490 175.309 174.900 -0.135 0.000 1.026 160 G CA 0.094 45.007 45.100 -0.312 0.000 0.658 160 G HN 0.892 nan 8.290 nan 0.000 0.499 161 S N 0.393 116.051 115.700 -0.070 0.000 2.585 161 S HA 0.527 4.997 4.470 -0.000 0.000 0.273 161 S C 0.981 175.576 174.600 -0.008 0.000 1.339 161 S CA 0.542 58.726 58.200 -0.027 0.000 1.028 161 S CB 1.191 64.385 63.200 -0.010 0.000 0.906 161 S HN 0.301 nan 8.310 nan 0.000 0.528 162 Q N 1.482 121.285 119.800 0.006 0.000 2.217 162 Q HA 0.218 4.558 4.340 -0.000 0.000 0.217 162 Q C 0.579 176.602 176.000 0.038 0.000 0.844 162 Q CA -0.034 55.782 55.803 0.021 0.000 0.957 162 Q CB 0.565 29.312 28.738 0.015 0.000 1.127 162 Q HN 0.704 nan 8.270 nan 0.000 0.503 163 E N 0.349 120.576 120.200 0.045 0.000 2.307 163 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 163 E C 0.149 176.813 176.600 0.106 0.000 0.975 163 E CA 0.299 56.745 56.400 0.076 0.000 0.878 163 E CB 0.919 30.669 29.700 0.082 0.000 0.845 163 E HN 0.102 nan 8.360 nan 0.000 0.488 164 A N 1.653 124.508 122.820 0.058 0.000 3.300 164 A HA 0.388 4.708 4.320 -0.000 0.000 0.300 164 A C -2.294 175.294 177.584 0.007 0.000 1.099 164 A CA -0.947 51.103 52.037 0.022 0.000 0.846 164 A CB 0.665 19.597 19.000 -0.113 0.000 1.255 164 A HN -0.143 nan 8.150 nan 0.000 0.519 165 P HA 0.194 nan 4.420 nan 0.000 0.220 165 P C 0.965 178.307 177.300 0.071 0.000 1.152 165 P CA 1.822 64.962 63.100 0.068 0.000 0.812 165 P CB 0.289 32.033 31.700 0.073 0.000 0.792 166 G N -0.700 108.119 108.800 0.032 0.000 2.612 166 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 166 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 166 G C -0.288 174.613 174.900 0.001 0.000 1.274 166 G CA -0.278 44.842 45.100 0.034 0.000 0.849 166 G HN 0.073 nan 8.290 nan 0.000 0.595 167 N N -2.423 116.284 118.700 0.011 0.000 2.828 167 N HA -0.269 4.471 4.740 -0.000 0.000 0.248 167 N C 1.856 177.211 175.510 -0.259 0.000 1.044 167 N CA 2.487 55.474 53.050 -0.104 0.000 0.851 167 N CB -1.671 36.687 38.487 -0.214 0.000 1.136 167 N HN 1.869 nan 8.380 nan 0.000 0.572 168 V N -3.064 116.676 119.914 -0.290 0.000 2.626 168 V HA 0.054 4.174 4.120 -0.000 0.000 0.252 168 V C 2.324 178.255 176.094 -0.271 0.000 1.067 168 V CA 2.190 64.363 62.300 -0.212 0.000 1.081 168 V CB -0.852 30.905 31.823 -0.110 0.000 0.686 168 V HN 0.268 nan 8.190 nan 0.000 0.468 169 G N 0.385 108.786 108.800 -0.666 0.000 2.422 169 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 169 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 169 G C 1.552 176.442 174.900 -0.016 0.000 1.140 169 G CA 1.051 45.950 45.100 -0.334 0.000 0.775 169 G HN 0.519 nan 8.290 nan 0.000 0.545 170 L N -0.244 120.920 121.223 -0.097 0.000 2.093 170 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 170 L C 2.805 179.699 176.870 0.040 0.000 1.085 170 L CA 0.422 55.168 54.840 -0.157 0.000 0.755 170 L CB -0.248 41.369 42.059 -0.738 0.000 0.904 170 L HN 0.182 nan 8.230 nan 0.000 0.435 171 L N -0.648 120.588 121.223 0.021 0.000 2.141 171 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 171 L C 2.111 179.079 176.870 0.164 0.000 1.094 171 L CA 0.754 55.692 54.840 0.165 0.000 0.763 171 L CB -0.509 41.619 42.059 0.114 0.000 0.908 171 L HN 0.259 nan 8.230 nan 0.000 0.437 172 D N -0.109 120.379 120.400 0.148 0.000 2.097 172 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 172 D C 2.265 178.692 176.300 0.210 0.000 0.989 172 D CA 1.137 55.297 54.000 0.267 0.000 0.827 172 D CB -0.181 40.800 40.800 0.301 0.000 0.966 172 D HN 0.353 nan 8.370 nan 0.000 0.456 173 Q N 0.135 119.999 119.800 0.106 0.000 2.061 173 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 173 Q C 2.297 178.239 176.000 -0.097 0.000 0.984 173 Q CA 1.157 56.932 55.803 -0.047 0.000 0.846 173 Q CB -0.078 28.645 28.738 -0.025 0.000 0.902 173 Q HN 0.200 nan 8.270 nan 0.000 0.421 174 R N 0.548 121.087 120.500 0.065 0.000 2.081 174 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 174 R C 2.232 178.545 176.300 0.022 0.000 1.131 174 R CA 1.517 57.637 56.100 0.033 0.000 0.960 174 R CB -0.177 30.244 30.300 0.202 0.000 0.856 174 R HN 0.280 nan 8.270 nan 0.000 0.436 175 M N -0.012 119.640 119.600 0.087 0.000 2.159 175 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 175 M C 2.054 178.370 176.300 0.028 0.000 1.063 175 M CA 1.948 57.337 55.300 0.148 0.000 1.110 175 M CB -0.015 32.770 32.600 0.307 0.000 1.374 175 M HN 0.290 nan 8.290 nan 0.000 0.411 176 A N 0.302 122.897 122.820 -0.375 0.000 1.930 176 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 176 A C 1.995 179.462 177.584 -0.194 0.000 1.175 176 A CA 1.320 52.903 52.037 -0.756 0.000 0.627 176 A CB -0.907 17.375 19.000 -1.196 0.000 0.815 176 A HN 0.583 nan 8.150 nan 0.000 0.443 177 L N -1.169 119.975 121.223 -0.132 0.000 2.093 177 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 177 L C 2.829 179.751 176.870 0.086 0.000 1.085 177 L CA 1.632 56.456 54.840 -0.027 0.000 0.755 177 L CB -0.441 41.562 42.059 -0.093 0.000 0.904 177 L HN 0.476 nan 8.230 nan 0.000 0.435 178 Q N -0.333 119.522 119.800 0.091 0.000 2.124 178 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 178 Q C 1.990 178.116 176.000 0.210 0.000 0.977 178 Q CA 1.857 57.740 55.803 0.134 0.000 0.850 178 Q CB -0.443 28.365 28.738 0.117 0.000 0.901 178 Q HN 0.471 nan 8.270 nan 0.000 0.429 179 W N -0.737 120.594 121.300 0.051 0.000 2.358 179 W HA -0.178 4.482 4.660 -0.000 0.000 0.303 179 W C 1.803 178.367 176.519 0.074 0.000 1.208 179 W CA 1.725 59.118 57.345 0.080 0.000 1.274 179 W CB -0.194 29.311 29.460 0.076 0.000 1.138 179 W HN 0.007 nan 8.180 nan 0.000 0.515 180 V N 0.033 120.194 119.914 0.412 0.000 2.343 180 V HA -0.378 3.742 4.120 -0.000 0.000 0.247 180 V C 2.521 178.667 176.094 0.087 0.000 1.051 180 V CA 2.358 64.824 62.300 0.277 0.000 1.036 180 V CB -1.316 30.642 31.823 0.224 0.000 0.654 180 V HN 0.372 nan 8.190 nan 0.000 0.451 181 H N -0.109 118.969 119.070 0.012 0.000 2.421 181 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 181 H C 1.772 177.031 175.328 -0.114 0.000 1.087 181 H CA 1.816 57.841 56.048 -0.038 0.000 1.330 181 H CB 0.192 29.945 29.762 -0.014 0.000 1.388 181 H HN 0.442 nan 8.280 nan 0.000 0.526 182 D N -0.409 119.900 120.400 -0.153 0.000 2.277 182 D HA -0.022 4.618 4.640 -0.000 0.000 0.209 182 D C 1.226 177.304 176.300 -0.370 0.000 0.970 182 D CA 0.466 54.313 54.000 -0.255 0.000 0.874 182 D CB 0.086 40.792 40.800 -0.156 0.000 0.982 182 D HN 0.449 nan 8.370 nan 0.000 0.504 183 N N -0.054 118.357 118.700 -0.482 0.000 2.166 183 N HA 0.041 4.780 4.740 -0.000 0.000 0.213 183 N C 1.385 176.765 175.510 -0.217 0.000 1.222 183 N CA -0.113 52.688 53.050 -0.416 0.000 0.900 183 N CB 1.264 39.199 38.487 -0.920 0.000 1.055 183 N HN 0.018 nan 8.380 nan 0.000 0.515 184 I N 2.970 123.443 120.570 -0.163 0.000 2.614 184 I HA -0.218 3.952 4.170 -0.000 0.000 0.258 184 I C 2.576 178.679 176.117 -0.023 0.000 1.189 184 I CA 1.230 62.575 61.300 0.076 0.000 1.462 184 I CB -0.152 37.887 38.000 0.066 0.000 1.092 184 I HN 0.171 nan 8.210 nan 0.000 0.442 185 Q N -0.673 118.911 119.800 -0.360 0.000 2.226 185 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 185 Q C 1.744 177.551 176.000 -0.322 0.000 0.975 185 Q CA 1.587 57.158 55.803 -0.387 0.000 0.866 185 Q CB -0.849 27.546 28.738 -0.570 0.000 0.915 185 Q HN 0.409 nan 8.270 nan 0.000 0.440 186 F N -0.290 119.595 119.950 -0.109 0.000 2.699 186 F HA 0.102 4.629 4.527 -0.000 0.000 0.298 186 F C 0.865 176.390 175.800 -0.458 0.000 1.154 186 F CA 0.241 58.067 58.000 -0.290 0.000 1.457 186 F CB -0.162 38.591 39.000 -0.412 0.000 1.106 186 F HN 0.004 nan 8.300 nan 0.000 0.585 187 F N -0.841 119.123 119.950 0.022 0.000 2.678 187 F HA 0.437 4.963 4.527 -0.000 0.000 0.305 187 F C 1.742 177.564 175.800 0.037 0.000 1.090 187 F CA 0.313 58.311 58.000 -0.003 0.000 1.272 187 F CB 0.311 39.285 39.000 -0.042 0.000 1.060 187 F HN 0.006 nan 8.300 nan 0.000 0.576 188 G N 0.339 109.218 108.800 0.132 0.000 2.159 188 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.227 188 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.227 188 G C 0.503 175.456 174.900 0.087 0.000 0.986 188 G CA -0.301 44.858 45.100 0.099 0.000 0.651 188 G HN 0.694 nan 8.290 nan 0.000 0.523 189 G N -0.457 108.398 108.800 0.091 0.000 2.389 189 G HA2 0.512 4.471 3.960 -0.000 0.000 0.317 189 G HA3 0.512 4.471 3.960 -0.000 0.000 0.317 189 G C -0.905 173.994 174.900 -0.001 0.000 1.137 189 G CA 0.182 45.321 45.100 0.065 0.000 0.870 189 G HN 0.233 nan 8.290 nan 0.000 0.496 190 D N 1.823 122.223 120.400 -0.000 0.000 2.396 190 D HA 0.315 4.955 4.640 -0.000 0.000 0.225 190 D C -1.349 174.936 176.300 -0.025 0.000 1.121 190 D CA -2.426 51.556 54.000 -0.030 0.000 0.853 190 D CB 1.850 42.639 40.800 -0.019 0.000 1.043 190 D HN 0.002 nan 8.370 nan 0.000 0.500 191 P HA -0.122 nan 4.420 nan 0.000 0.223 191 P C 0.577 177.889 177.300 0.020 0.000 1.144 191 P CA 1.064 64.135 63.100 -0.049 0.000 0.783 191 P CB 0.223 31.794 31.700 -0.215 0.000 0.771 192 K N -1.515 118.881 120.400 -0.007 0.000 2.361 192 K HA 0.095 4.415 4.320 -0.000 0.000 0.196 192 K C 0.269 176.874 176.600 0.008 0.000 1.039 192 K CA 0.792 57.083 56.287 0.007 0.000 1.001 192 K CB -0.058 32.432 32.500 -0.016 0.000 0.795 192 K HN 0.055 nan 8.250 nan 0.000 0.495 193 T N 1.644 116.204 114.554 0.009 0.000 3.427 193 T HA 0.179 4.529 4.350 -0.000 0.000 0.306 193 T C -0.853 173.867 174.700 0.033 0.000 1.733 193 T CA -0.350 61.752 62.100 0.003 0.000 1.599 193 T CB 0.684 69.540 68.868 -0.020 0.000 0.964 193 T HN -0.090 nan 8.240 nan 0.000 0.701 194 V N 1.757 121.719 119.914 0.080 0.000 2.459 194 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 194 V C -0.478 175.714 176.094 0.163 0.000 1.029 194 V CA -0.080 62.293 62.300 0.122 0.000 0.874 194 V CB 1.796 33.712 31.823 0.156 0.000 0.985 194 V HN 0.526 nan 8.190 nan 0.000 0.438 195 T N 8.419 123.054 114.554 0.136 0.000 2.779 195 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 195 T C -0.163 174.657 174.700 0.199 0.000 0.987 195 T CA -0.143 62.049 62.100 0.153 0.000 0.966 195 T CB 0.759 69.668 68.868 0.068 0.000 0.933 195 T HN 0.788 nan 8.240 nan 0.000 0.442 196 I N 1.975 122.624 120.570 0.132 0.000 2.353 196 I HA 0.834 5.004 4.170 -0.000 0.000 0.293 196 I C -0.864 175.406 176.117 0.256 0.000 0.992 196 I CA -0.944 60.408 61.300 0.087 0.000 1.268 196 I CB 0.701 38.503 38.000 -0.331 0.000 1.387 196 I HN 0.459 nan 8.210 nan 0.000 0.478 197 F N 3.420 123.389 119.950 0.031 0.000 2.601 197 F HA 1.013 5.540 4.527 -0.000 0.000 0.309 197 F C -0.388 175.363 175.800 -0.082 0.000 1.089 197 F CA -1.409 56.648 58.000 0.094 0.000 0.940 197 F CB 1.349 40.536 39.000 0.313 0.000 1.273 197 F HN 0.804 nan 8.300 nan 0.000 0.450 198 G N 1.033 109.658 108.800 -0.292 0.000 2.623 198 G HA2 0.495 4.455 3.960 -0.000 0.000 0.290 198 G HA3 0.495 4.455 3.960 -0.000 0.000 0.290 198 G C -2.495 172.163 174.900 -0.405 0.000 1.437 198 G CA -0.803 43.727 45.100 -0.950 0.000 0.798 198 G HN 0.856 nan 8.290 nan 0.000 0.488 199 E N 0.342 120.287 120.200 -0.424 0.000 2.212 199 E HA 0.619 4.969 4.350 -0.000 0.000 0.268 199 E C 0.740 177.291 176.600 -0.081 0.000 0.902 199 E CA 0.282 56.663 56.400 -0.031 0.000 0.779 199 E CB 2.032 31.863 29.700 0.220 0.000 1.172 199 E HN 0.793 nan 8.360 nan 0.000 0.409 200 S N 3.024 118.736 115.700 0.020 0.000 4.150 200 S HA -0.409 4.061 4.470 -0.000 0.000 0.575 200 S C 1.532 176.221 174.600 0.149 0.000 1.878 200 S CA 2.479 60.774 58.200 0.157 0.000 4.245 200 S CB -1.635 61.641 63.200 0.127 0.000 0.231 200 S HN 0.966 nan 8.310 nan 0.000 0.469 201 A N 1.072 123.871 122.820 -0.035 0.000 1.940 201 A HA 0.097 4.417 4.320 -0.000 0.000 0.219 201 A C 2.526 179.849 177.584 -0.435 0.000 1.176 201 A CA 2.640 54.436 52.037 -0.401 0.000 0.631 201 A CB -1.610 16.871 19.000 -0.866 0.000 0.814 201 A HN 1.598 nan 8.150 nan 0.000 0.446 202 G N -0.840 107.762 108.800 -0.330 0.000 2.408 202 G HA2 0.069 4.029 3.960 -0.000 0.000 0.217 202 G HA3 0.069 4.029 3.960 -0.000 0.000 0.217 202 G C 1.483 176.197 174.900 -0.310 0.000 1.150 202 G CA 1.204 46.065 45.100 -0.400 0.000 0.776 202 G HN 0.699 nan 8.290 nan 0.000 0.542 203 G N 1.054 109.732 108.800 -0.203 0.000 2.402 203 G HA2 0.084 4.044 3.960 -0.000 0.000 0.216 203 G HA3 0.084 4.044 3.960 -0.000 0.000 0.216 203 G C 2.044 176.844 174.900 -0.167 0.000 1.162 203 G CA 1.434 46.451 45.100 -0.139 0.000 0.777 203 G HN 0.596 nan 8.290 nan 0.000 0.539 204 A N 0.796 123.540 122.820 -0.127 0.000 1.902 204 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 204 A C 2.695 180.213 177.584 -0.110 0.000 1.181 204 A CA 2.244 54.183 52.037 -0.163 0.000 0.623 204 A CB -0.653 18.270 19.000 -0.127 0.000 0.818 204 A HN 0.303 nan 8.150 nan 0.000 0.443 205 S N -0.486 115.170 115.700 -0.074 0.000 2.359 205 S HA -0.156 4.313 4.470 -0.000 0.000 0.224 205 S C 1.925 176.456 174.600 -0.115 0.000 1.035 205 S CA 1.492 59.639 58.200 -0.089 0.000 1.018 205 S CB -0.547 62.547 63.200 -0.175 0.000 0.876 205 S HN 0.350 nan 8.310 nan 0.000 0.448 206 V N 1.554 121.398 119.914 -0.117 0.000 2.287 206 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 206 V C 2.589 178.630 176.094 -0.088 0.000 1.053 206 V CA 2.055 64.295 62.300 -0.100 0.000 1.027 206 V CB -1.447 30.290 31.823 -0.143 0.000 0.646 206 V HN 0.614 nan 8.190 nan 0.000 0.447 207 G N -1.214 107.473 108.800 -0.188 0.000 2.432 207 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 207 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 207 G C 1.592 176.470 174.900 -0.036 0.000 1.135 207 G CA 0.956 45.905 45.100 -0.252 0.000 0.767 207 G HN 0.455 nan 8.290 nan 0.000 0.550 208 M N -0.274 119.323 119.600 -0.005 0.000 2.200 208 M HA 0.024 4.504 4.480 -0.000 0.000 0.265 208 M C 2.283 178.707 176.300 0.206 0.000 1.066 208 M CA 0.864 56.285 55.300 0.201 0.000 1.127 208 M CB -0.243 32.484 32.600 0.212 0.000 1.379 208 M HN 0.188 nan 8.290 nan 0.000 0.420 209 H N -0.175 119.028 119.070 0.222 0.000 2.462 209 H HA 0.030 4.586 4.556 -0.000 0.000 0.292 209 H C 2.089 177.628 175.328 0.351 0.000 1.049 209 H CA 1.250 57.429 56.048 0.219 0.000 1.334 209 H CB -0.196 29.603 29.762 0.062 0.000 1.404 209 H HN 0.411 nan 8.280 nan 0.000 0.544 210 I N 0.430 121.275 120.570 0.459 0.000 2.394 210 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 210 I C 2.207 178.569 176.117 0.409 0.000 1.136 210 I CA 0.789 62.400 61.300 0.517 0.000 1.425 210 I CB -0.010 38.239 38.000 0.416 0.000 1.079 210 I HN 0.130 nan 8.210 nan 0.000 0.425 211 L N -0.687 120.742 121.223 0.344 0.000 2.127 211 L HA -0.022 4.318 4.340 -0.000 0.000 0.203 211 L C 1.520 178.519 176.870 0.214 0.000 1.080 211 L CA 0.259 55.302 54.840 0.338 0.000 0.768 211 L CB -0.239 42.045 42.059 0.375 0.000 0.924 211 L HN 0.083 nan 8.230 nan 0.000 0.444 212 S N 0.154 115.898 115.700 0.074 0.000 2.488 212 S HA 0.092 4.562 4.470 -0.000 0.000 0.278 212 S C -1.506 172.979 174.600 -0.191 0.000 1.259 212 S CA -1.351 56.692 58.200 -0.262 0.000 1.061 212 S CB 0.931 63.509 63.200 -1.036 0.000 0.910 212 S HN -0.087 nan 8.310 nan 0.000 0.491 213 P HA -0.071 nan 4.420 nan 0.000 0.216 213 P C 1.519 178.731 177.300 -0.147 0.000 1.153 213 P CA 1.360 64.391 63.100 -0.115 0.000 0.858 213 P CB -0.181 31.459 31.700 -0.101 0.000 0.789 214 G N -1.435 107.228 108.800 -0.228 0.000 2.535 214 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 214 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 214 G C 1.432 176.248 174.900 -0.140 0.000 1.122 214 G CA 0.822 45.805 45.100 -0.195 0.000 0.769 214 G HN 0.251 nan 8.290 nan 0.000 0.549 215 S N -0.633 115.001 115.700 -0.111 0.000 2.514 215 S HA 0.119 4.589 4.470 -0.000 0.000 0.223 215 S C 2.214 176.893 174.600 0.132 0.000 1.046 215 S CA -0.345 57.903 58.200 0.079 0.000 0.914 215 S CB 0.189 63.576 63.200 0.311 0.000 0.807 215 S HN 0.360 nan 8.310 nan 0.000 0.497 216 R N 2.021 122.530 120.500 0.015 0.000 2.134 216 R HA -0.135 4.205 4.340 -0.000 0.000 0.248 216 R C 0.830 176.897 176.300 -0.389 0.000 1.143 216 R CA 1.760 57.750 56.100 -0.183 0.000 0.957 216 R CB -0.485 29.746 30.300 -0.115 0.000 0.867 216 R HN 0.325 nan 8.270 nan 0.000 0.441 217 D N 0.392 120.653 120.400 -0.232 0.000 2.363 217 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 217 D C 1.118 177.279 176.300 -0.232 0.000 1.020 217 D CA 0.691 54.549 54.000 -0.236 0.000 0.892 217 D CB 0.182 40.872 40.800 -0.183 0.000 0.900 217 D HN 0.276 nan 8.370 nan 0.000 0.531 218 L N 0.015 121.145 121.223 -0.154 0.000 2.653 218 L HA 0.189 4.529 4.340 -0.000 0.000 0.231 218 L C -0.226 176.764 176.870 0.200 0.000 1.153 218 L CA -0.204 54.623 54.840 -0.020 0.000 0.933 218 L CB -0.273 41.806 42.059 0.033 0.000 1.175 218 L HN -0.092 nan 8.230 nan 0.000 0.473 219 F N -4.725 115.220 119.950 -0.008 0.000 2.703 219 F HA 0.502 5.029 4.527 -0.000 0.000 0.308 219 F C 0.282 176.100 175.800 0.029 0.000 1.126 219 F CA -1.315 56.698 58.000 0.022 0.000 0.959 219 F CB 1.040 40.053 39.000 0.022 0.000 1.297 219 F HN -0.377 nan 8.300 nan 0.000 0.441 220 R N 1.313 121.896 120.500 0.138 0.000 2.057 220 R HA 0.387 4.727 4.340 -0.000 0.000 0.224 220 R C 0.154 176.516 176.300 0.103 0.000 1.136 220 R CA 1.753 57.872 56.100 0.032 0.000 0.968 220 R CB 0.138 30.453 30.300 0.024 0.000 0.863 220 R HN 0.850 nan 8.270 nan 0.000 0.433 221 R N -1.969 118.697 120.500 0.277 0.000 2.844 221 R HA 0.757 5.096 4.340 -0.000 0.000 0.264 221 R C -1.553 175.001 176.300 0.422 0.000 1.077 221 R CA -0.643 55.653 56.100 0.327 0.000 0.953 221 R CB 0.889 31.255 30.300 0.110 0.000 1.272 221 R HN 0.050 nan 8.270 nan 0.000 0.447 222 A N 0.734 123.791 122.820 0.396 0.000 2.515 222 A HA 0.728 5.048 4.320 -0.000 0.000 0.298 222 A C -1.078 176.609 177.584 0.172 0.000 1.059 222 A CA -0.922 51.267 52.037 0.254 0.000 0.698 222 A CB 1.579 20.675 19.000 0.160 0.000 1.289 222 A HN 0.589 nan 8.150 nan 0.000 0.404 223 I N 1.823 122.456 120.570 0.105 0.000 2.418 223 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 223 I C -1.456 174.708 176.117 0.078 0.000 1.008 223 I CA -0.575 60.718 61.300 -0.012 0.000 1.104 223 I CB 1.765 39.734 38.000 -0.051 0.000 1.264 223 I HN 0.410 nan 8.210 nan 0.000 0.438 224 L N 6.860 128.095 121.223 0.020 0.000 2.298 224 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 224 L C -0.359 176.584 176.870 0.121 0.000 1.013 224 L CA -0.208 54.641 54.840 0.016 0.000 0.824 224 L CB 1.393 43.384 42.059 -0.114 0.000 1.221 224 L HN 0.500 nan 8.230 nan 0.000 0.418 225 Q N 1.789 121.711 119.800 0.204 0.000 2.307 225 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 225 Q C 0.169 176.276 176.000 0.179 0.000 0.961 225 Q CA -0.658 55.334 55.803 0.315 0.000 0.882 225 Q CB 1.570 30.596 28.738 0.480 0.000 1.264 225 Q HN 0.616 nan 8.270 nan 0.000 0.446 226 S N 0.955 116.751 115.700 0.160 0.000 3.486 226 S HA -0.179 4.291 4.470 -0.000 0.000 0.371 226 S C 0.042 174.758 174.600 0.193 0.000 1.001 226 S CA 0.638 58.932 58.200 0.155 0.000 1.164 226 S CB -1.151 62.122 63.200 0.123 0.000 0.911 226 S HN 0.976 nan 8.310 nan 0.000 0.472 227 G N -0.474 108.391 108.800 0.108 0.000 2.596 227 G HA2 0.600 4.560 3.960 -0.000 0.000 0.296 227 G HA3 0.600 4.560 3.960 -0.000 0.000 0.296 227 G C -1.007 173.826 174.900 -0.111 0.000 1.513 227 G CA 0.092 45.255 45.100 0.104 0.000 0.851 227 G HN 1.070 nan 8.290 nan 0.000 0.548 228 S N 0.917 116.478 115.700 -0.231 0.000 2.570 228 S HA 0.784 5.254 4.470 -0.000 0.000 0.270 228 S C -2.152 172.165 174.600 -0.472 0.000 1.149 228 S CA -1.059 56.861 58.200 -0.466 0.000 0.837 228 S CB 2.909 65.817 63.200 -0.487 0.000 1.124 228 S HN 0.435 nan 8.310 nan 0.000 0.465 229 P HA -0.146 nan 4.420 nan 0.000 0.218 229 P C 0.693 177.768 177.300 -0.375 0.000 1.148 229 P CA 1.432 64.305 63.100 -0.378 0.000 0.822 229 P CB -0.326 31.200 31.700 -0.289 0.000 0.784 230 N N -0.689 117.827 118.700 -0.307 0.000 2.449 230 N HA -0.033 4.707 4.740 -0.000 0.000 0.191 230 N C 0.143 175.436 175.510 -0.363 0.000 1.161 230 N CA -0.076 52.822 53.050 -0.252 0.000 0.863 230 N CB -1.377 37.080 38.487 -0.050 0.000 0.980 230 N HN 0.052 nan 8.380 nan 0.000 0.458 231 C N 3.085 122.058 119.300 -0.544 0.000 2.634 231 C HA 0.056 4.516 4.460 -0.000 0.000 0.417 231 C C -0.084 174.445 174.990 -0.769 0.000 1.334 231 C CA -0.922 57.636 59.018 -0.766 0.000 1.829 231 C CB 0.958 27.923 27.740 -1.291 0.000 2.665 231 C HN 0.367 nan 8.230 nan 0.000 0.614 232 P HA -0.123 nan 4.420 nan 0.000 0.219 232 P C 1.208 178.337 177.300 -0.285 0.000 1.146 232 P CA 1.893 64.743 63.100 -0.417 0.000 0.808 232 P CB -0.084 31.376 31.700 -0.401 0.000 0.779 233 W N -1.245 119.939 121.300 -0.193 0.000 3.211 233 W HA 0.549 5.209 4.660 -0.000 0.000 0.292 233 W C 1.205 177.786 176.519 0.104 0.000 1.268 233 W CA 0.347 57.661 57.345 -0.051 0.000 1.702 233 W CB -1.082 28.379 29.460 0.002 0.000 1.092 233 W HN -0.115 nan 8.180 nan 0.000 0.643 234 A N 1.372 123.871 122.820 -0.536 0.000 2.208 234 A HA 0.187 4.507 4.320 -0.000 0.000 0.209 234 A C 0.994 178.384 177.584 -0.323 0.000 1.161 234 A CA 1.101 52.898 52.037 -0.401 0.000 0.782 234 A CB -0.533 17.966 19.000 -0.836 0.000 0.816 234 A HN 0.226 nan 8.150 nan 0.000 0.477 235 S N -1.754 113.768 115.700 -0.296 0.000 2.588 235 S HA 0.642 5.111 4.470 -0.000 0.000 0.269 235 S C -0.848 173.627 174.600 -0.209 0.000 1.157 235 S CA -0.070 57.953 58.200 -0.295 0.000 0.824 235 S CB 1.285 64.260 63.200 -0.375 0.000 1.126 235 S HN 1.318 nan 8.310 nan 0.000 0.464 236 V N -0.894 118.916 119.914 -0.174 0.000 3.130 236 V HA 0.947 5.067 4.120 -0.000 0.000 0.310 236 V C 0.108 176.132 176.094 -0.116 0.000 1.158 236 V CA -0.444 61.778 62.300 -0.131 0.000 1.029 236 V CB 1.163 32.924 31.823 -0.105 0.000 1.057 236 V HN 1.512 nan 8.190 nan 0.000 0.436 237 S N 0.729 116.371 115.700 -0.098 0.000 2.632 237 S HA 0.412 4.882 4.470 -0.000 0.000 0.267 237 S C 1.307 175.865 174.600 -0.070 0.000 1.276 237 S CA -0.023 58.125 58.200 -0.086 0.000 0.998 237 S CB 1.302 64.459 63.200 -0.072 0.000 0.953 237 S HN 2.051 nan 8.310 nan 0.000 0.547 238 V N -0.363 119.502 119.914 -0.081 0.000 2.332 238 V HA -0.103 4.016 4.120 -0.000 0.000 0.248 238 V C 2.696 178.783 176.094 -0.012 0.000 1.055 238 V CA 1.910 64.174 62.300 -0.060 0.000 1.038 238 V CB -2.208 29.540 31.823 -0.125 0.000 0.651 238 V HN 1.025 nan 8.190 nan 0.000 0.450 239 A N 0.826 123.636 122.820 -0.017 0.000 1.851 239 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 239 A C 2.248 179.817 177.584 -0.026 0.000 1.195 239 A CA 2.365 54.397 52.037 -0.010 0.000 0.622 239 A CB -0.858 18.134 19.000 -0.013 0.000 0.831 239 A HN 0.659 nan 8.150 nan 0.000 0.444 240 E N 0.109 120.283 120.200 -0.044 0.000 2.118 240 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 240 E C 1.925 178.486 176.600 -0.065 0.000 0.992 240 E CA 1.808 58.168 56.400 -0.066 0.000 0.804 240 E CB -0.880 28.771 29.700 -0.081 0.000 0.741 240 E HN 0.418 nan 8.360 nan 0.000 0.458 241 G N 0.400 109.174 108.800 -0.042 0.000 2.408 241 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 241 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 241 G C 1.748 176.654 174.900 0.011 0.000 1.150 241 G CA 0.773 45.866 45.100 -0.012 0.000 0.776 241 G HN 0.341 nan 8.290 nan 0.000 0.542 242 R N 0.300 120.806 120.500 0.008 0.000 2.066 242 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 242 R C 2.532 178.830 176.300 -0.003 0.000 1.131 242 R CA 1.327 57.434 56.100 0.012 0.000 0.955 242 R CB -0.415 29.898 30.300 0.020 0.000 0.851 242 R HN 0.290 nan 8.270 nan 0.000 0.432 243 R N 0.488 120.976 120.500 -0.020 0.000 2.096 243 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 243 R C 2.232 178.508 176.300 -0.040 0.000 1.139 243 R CA 2.032 58.112 56.100 -0.035 0.000 0.952 243 R CB -0.130 30.137 30.300 -0.055 0.000 0.854 243 R HN 0.300 nan 8.270 nan 0.000 0.436 244 R N -0.391 120.074 120.500 -0.057 0.000 2.115 244 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 244 R C 2.284 178.623 176.300 0.064 0.000 1.111 244 R CA 1.071 57.124 56.100 -0.077 0.000 0.976 244 R CB -0.218 29.943 30.300 -0.232 0.000 0.870 244 R HN 0.264 nan 8.270 nan 0.000 0.445 245 A N 0.808 123.687 122.820 0.098 0.000 1.898 245 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 245 A C 2.320 179.914 177.584 0.017 0.000 1.181 245 A CA 1.143 53.231 52.037 0.085 0.000 0.620 245 A CB -0.389 18.606 19.000 -0.009 0.000 0.819 245 A HN 0.096 nan 8.150 nan 0.000 0.442 246 V N 0.042 119.959 119.914 0.004 0.000 2.515 246 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 246 V C 2.532 178.628 176.094 0.004 0.000 1.058 246 V CA 2.269 64.567 62.300 -0.004 0.000 1.064 246 V CB -0.622 31.197 31.823 -0.007 0.000 0.675 246 V HN 0.689 nan 8.190 nan 0.000 0.461 247 E N 0.296 120.499 120.200 0.005 0.000 2.150 247 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 247 E C 1.895 178.511 176.600 0.027 0.000 0.985 247 E CA 0.931 57.332 56.400 0.003 0.000 0.814 247 E CB -0.328 29.358 29.700 -0.023 0.000 0.752 247 E HN 0.428 nan 8.360 nan 0.000 0.466 248 L N -0.211 121.048 121.223 0.059 0.000 2.046 248 L HA 0.024 4.363 4.340 -0.000 0.000 0.208 248 L C 2.148 179.037 176.870 0.033 0.000 1.077 248 L CA 2.306 57.194 54.840 0.079 0.000 0.747 248 L CB -1.040 41.091 42.059 0.120 0.000 0.896 248 L HN 0.250 nan 8.230 nan 0.000 0.432 249 G N -1.068 107.740 108.800 0.013 0.000 2.421 249 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 249 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 249 G C 1.819 176.729 174.900 0.017 0.000 1.171 249 G CA 0.706 45.811 45.100 0.008 0.000 0.775 249 G HN 0.321 nan 8.290 nan 0.000 0.543 250 R N 0.386 120.895 120.500 0.016 0.000 2.083 250 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 250 R C 2.299 178.613 176.300 0.022 0.000 1.137 250 R CA 1.390 57.500 56.100 0.016 0.000 0.951 250 R CB -0.442 29.865 30.300 0.011 0.000 0.851 250 R HN 0.351 nan 8.270 nan 0.000 0.434 251 N N 0.395 119.112 118.700 0.028 0.000 2.443 251 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 251 N C 0.997 176.530 175.510 0.038 0.000 1.037 251 N CA 0.830 53.901 53.050 0.036 0.000 0.896 251 N CB 0.119 38.634 38.487 0.047 0.000 0.959 251 N HN 0.267 nan 8.380 nan 0.000 0.442 252 L N 0.570 121.813 121.223 0.033 0.000 2.910 252 L HA 0.199 4.539 4.340 -0.000 0.000 0.252 252 L C -0.348 176.538 176.870 0.026 0.000 1.195 252 L CA -0.225 54.634 54.840 0.032 0.000 1.003 252 L CB -0.016 42.061 42.059 0.031 0.000 1.328 252 L HN -0.041 nan 8.230 nan 0.000 0.540 253 N N 0.041 118.755 118.700 0.025 0.000 2.696 253 N HA -0.177 4.563 4.740 -0.000 0.000 0.256 253 N C -0.514 175.009 175.510 0.022 0.000 1.031 253 N CA 0.523 53.587 53.050 0.022 0.000 0.730 253 N CB -1.621 36.880 38.487 0.023 0.000 0.894 253 N HN 0.254 nan 8.380 nan 0.000 0.544 254 c N 0.668 119.281 118.600 0.021 0.000 2.365 254 c HA 0.335 4.905 4.570 -0.000 0.000 0.349 254 c C 1.181 175.286 174.090 0.025 0.000 1.191 254 c CA -1.100 55.243 56.329 0.024 0.000 2.114 254 c CB 1.351 43.873 42.510 0.021 0.000 2.367 254 c HN 0.461 nan 8.230 nan 0.000 0.530 255 N N 1.975 120.695 118.700 0.033 0.000 2.438 255 N HA 0.084 4.824 4.740 -0.000 0.000 0.267 255 N C 0.046 175.573 175.510 0.028 0.000 1.222 255 N CA 0.340 53.410 53.050 0.033 0.000 0.930 255 N CB 0.351 38.865 38.487 0.045 0.000 1.083 255 N HN 0.606 nan 8.380 nan 0.000 0.476 256 L N 2.941 124.176 121.223 0.020 0.000 2.741 256 L HA 0.190 4.530 4.340 -0.000 0.000 0.237 256 L C 1.270 178.147 176.870 0.012 0.000 1.178 256 L CA -0.306 54.542 54.840 0.014 0.000 0.973 256 L CB -0.135 41.930 42.059 0.010 0.000 1.255 256 L HN 0.386 nan 8.230 nan 0.000 0.498 257 N N 0.629 119.337 118.700 0.015 0.000 2.244 257 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 257 N C 0.675 176.190 175.510 0.009 0.000 1.016 257 N CA 0.903 53.960 53.050 0.011 0.000 0.866 257 N CB 0.226 38.720 38.487 0.012 0.000 0.980 257 N HN 0.443 nan 8.380 nan 0.000 0.430 258 S N -1.515 114.192 115.700 0.011 0.000 2.547 258 S HA 0.332 4.802 4.470 -0.000 0.000 0.270 258 S C -0.097 174.509 174.600 0.011 0.000 1.150 258 S CA -0.904 57.300 58.200 0.008 0.000 0.850 258 S CB 1.869 65.072 63.200 0.006 0.000 1.118 258 S HN -0.210 nan 8.310 nan 0.000 0.461 259 D N 1.551 121.954 120.400 0.004 0.000 2.133 259 D HA -0.144 4.496 4.640 -0.000 0.000 0.192 259 D C 1.556 177.869 176.300 0.020 0.000 1.001 259 D CA 2.190 56.192 54.000 0.002 0.000 0.844 259 D CB -0.374 40.423 40.800 -0.005 0.000 0.944 259 D HN 0.758 nan 8.370 nan 0.000 0.447 260 E N 0.898 121.111 120.200 0.023 0.000 2.065 260 E HA -0.206 4.144 4.350 -0.000 0.000 0.201 260 E C 2.099 178.741 176.600 0.069 0.000 1.016 260 E CA 1.394 57.816 56.400 0.036 0.000 0.818 260 E CB -0.239 29.469 29.700 0.013 0.000 0.749 260 E HN 0.493 nan 8.360 nan 0.000 0.453 261 E N -0.133 120.102 120.200 0.059 0.000 2.046 261 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 261 E C 2.110 178.774 176.600 0.107 0.000 0.982 261 E CA 0.659 57.115 56.400 0.093 0.000 0.800 261 E CB -0.173 29.563 29.700 0.060 0.000 0.756 261 E HN 0.101 nan 8.360 nan 0.000 0.449 262 L N 1.628 122.887 121.223 0.060 0.000 1.990 262 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 262 L C 2.091 178.991 176.870 0.050 0.000 1.072 262 L CA 1.728 56.590 54.840 0.037 0.000 0.755 262 L CB -0.479 41.583 42.059 0.005 0.000 0.889 262 L HN 0.107 nan 8.230 nan 0.000 0.432 263 I N -0.866 119.740 120.570 0.060 0.000 2.163 263 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 263 I C 2.657 178.882 176.117 0.181 0.000 1.085 263 I CA 1.770 63.135 61.300 0.109 0.000 1.347 263 I CB -0.734 37.333 38.000 0.112 0.000 1.044 263 I HN 0.519 nan 8.210 nan 0.000 0.408 264 H N 0.349 119.464 119.070 0.075 0.000 2.352 264 H HA -0.284 4.272 4.556 -0.000 0.000 0.299 264 H C 2.507 177.874 175.328 0.064 0.000 1.097 264 H CA 2.273 58.360 56.048 0.064 0.000 1.311 264 H CB -0.069 29.718 29.762 0.041 0.000 1.377 264 H HN 0.523 nan 8.280 nan 0.000 0.504 265 c N 0.914 119.509 118.600 -0.007 0.000 2.413 265 c HA -0.132 4.437 4.570 -0.000 0.000 0.276 265 c C 3.013 177.082 174.090 -0.036 0.000 1.236 265 c CA 1.042 57.339 56.329 -0.054 0.000 1.735 265 c CB -1.385 41.137 42.510 0.021 0.000 2.031 265 c HN 0.574 nan 8.230 nan 0.000 0.474 266 L N 0.224 121.475 121.223 0.047 0.000 2.131 266 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 266 L C 2.960 179.904 176.870 0.123 0.000 1.092 266 L CA 1.412 56.326 54.840 0.123 0.000 0.759 266 L CB -0.686 41.496 42.059 0.206 0.000 0.903 266 L HN 0.341 nan 8.230 nan 0.000 0.435 267 R N -0.318 120.225 120.500 0.071 0.000 2.235 267 R HA -0.078 4.262 4.340 -0.000 0.000 0.213 267 R C 1.688 177.929 176.300 -0.098 0.000 1.059 267 R CA 0.555 56.621 56.100 -0.057 0.000 0.997 267 R CB 0.009 30.286 30.300 -0.038 0.000 0.884 267 R HN 0.327 nan 8.270 nan 0.000 0.462 268 E N 0.515 120.639 120.200 -0.127 0.000 2.442 268 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 268 E C 0.106 176.676 176.600 -0.050 0.000 1.030 268 E CA 0.459 56.788 56.400 -0.118 0.000 0.869 268 E CB 0.342 29.931 29.700 -0.185 0.000 0.857 268 E HN 0.085 nan 8.360 nan 0.000 0.505 269 K N 1.388 121.776 120.400 -0.020 0.000 2.168 269 K HA 0.216 4.536 4.320 -0.000 0.000 0.258 269 K C 0.364 176.985 176.600 0.035 0.000 1.010 269 K CA -0.175 56.121 56.287 0.015 0.000 0.929 269 K CB 0.793 33.313 32.500 0.034 0.000 0.998 269 K HN -0.119 nan 8.250 nan 0.000 0.479 270 K N 1.716 122.145 120.400 0.048 0.000 2.154 270 K HA 0.109 4.429 4.320 -0.000 0.000 0.264 270 K C -1.657 175.016 176.600 0.122 0.000 1.008 270 K CA -1.629 54.694 56.287 0.060 0.000 0.937 270 K CB 0.248 32.775 32.500 0.045 0.000 1.002 270 K HN 0.154 nan 8.250 nan 0.000 0.469 271 P HA -0.272 nan 4.420 nan 0.000 0.216 271 P C 1.162 178.648 177.300 0.310 0.000 1.167 271 P CA 1.313 64.600 63.100 0.313 0.000 0.914 271 P CB 0.220 31.949 31.700 0.048 0.000 0.793 272 Q N -0.028 119.875 119.800 0.172 0.000 2.308 272 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 272 Q C 1.867 177.959 176.000 0.153 0.000 0.985 272 Q CA 1.669 57.565 55.803 0.155 0.000 0.881 272 Q CB -0.825 27.971 28.738 0.097 0.000 0.917 272 Q HN 0.406 nan 8.270 nan 0.000 0.443 273 E N -1.070 119.210 120.200 0.133 0.000 2.072 273 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 273 E C 1.637 178.304 176.600 0.110 0.000 0.982 273 E CA 0.780 57.243 56.400 0.106 0.000 0.803 273 E CB -0.017 29.730 29.700 0.079 0.000 0.755 273 E HN 0.238 nan 8.360 nan 0.000 0.453 274 L N 0.867 122.159 121.223 0.114 0.000 2.027 274 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 274 L C 2.249 179.180 176.870 0.101 0.000 1.074 274 L CA 1.440 56.308 54.840 0.046 0.000 0.745 274 L CB -0.536 41.453 42.059 -0.117 0.000 0.898 274 L HN 0.140 nan 8.230 nan 0.000 0.433 275 I N -0.655 120.034 120.570 0.199 0.000 2.226 275 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 275 I C 2.003 178.279 176.117 0.265 0.000 1.100 275 I CA 1.090 62.546 61.300 0.260 0.000 1.374 275 I CB -0.463 37.736 38.000 0.332 0.000 1.057 275 I HN 0.235 nan 8.210 nan 0.000 0.413 276 D N 0.512 121.045 120.400 0.223 0.000 2.190 276 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 276 D C 1.990 178.418 176.300 0.215 0.000 0.992 276 D CA 1.629 55.760 54.000 0.218 0.000 0.854 276 D CB -0.037 40.855 40.800 0.154 0.000 0.936 276 D HN 0.389 nan 8.370 nan 0.000 0.462 277 V N -2.339 117.678 119.914 0.172 0.000 3.578 277 V HA 0.165 4.285 4.120 -0.000 0.000 0.290 277 V C 1.890 178.067 176.094 0.137 0.000 1.376 277 V CA 0.087 62.476 62.300 0.149 0.000 1.083 277 V CB 0.193 32.080 31.823 0.107 0.000 0.911 277 V HN -0.036 nan 8.190 nan 0.000 0.433 278 E N 1.022 121.293 120.200 0.118 0.000 2.086 278 E HA -0.298 4.052 4.350 -0.000 0.000 0.205 278 E C 1.626 178.122 176.600 -0.174 0.000 1.027 278 E CA 2.894 59.295 56.400 0.001 0.000 0.830 278 E CB -0.256 29.348 29.700 -0.160 0.000 0.751 278 E HN 0.815 nan 8.360 nan 0.000 0.456 279 W N 0.662 121.962 121.300 -0.000 0.000 2.595 279 W HA -0.007 4.653 4.660 -0.000 0.000 0.257 279 W C 1.834 178.313 176.519 -0.067 0.000 1.267 279 W CA 0.139 57.437 57.345 -0.080 0.000 1.300 279 W CB -0.121 29.269 29.460 -0.116 0.000 1.120 279 W HN 0.111 nan 8.180 nan 0.000 0.618 280 N N 0.234 119.020 118.700 0.144 0.000 2.459 280 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 280 N C 1.769 177.282 175.510 0.005 0.000 1.046 280 N CA 1.501 54.597 53.050 0.078 0.000 0.904 280 N CB -0.577 37.956 38.487 0.077 0.000 0.964 280 N HN 0.249 nan 8.380 nan 0.000 0.444 281 V N -1.900 117.982 119.914 -0.053 0.000 3.623 281 V HA 0.226 4.345 4.120 -0.000 0.000 0.271 281 V C 0.776 176.762 176.094 -0.181 0.000 1.248 281 V CA -0.046 62.181 62.300 -0.121 0.000 1.156 281 V CB -0.766 30.956 31.823 -0.168 0.000 0.870 281 V HN -0.010 nan 8.190 nan 0.000 0.453 282 L N 1.200 122.335 121.223 -0.146 0.000 2.461 282 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 282 L C -0.644 176.085 176.870 -0.235 0.000 1.197 282 L CA -1.036 53.702 54.840 -0.170 0.000 0.836 282 L CB 0.553 42.576 42.059 -0.059 0.000 1.105 282 L HN 0.124 nan 8.230 nan 0.000 0.477 283 P HA -0.062 nan 4.420 nan 0.000 0.216 283 P C -0.647 176.184 177.300 -0.782 0.000 1.153 283 P CA 1.325 63.948 63.100 -0.794 0.000 0.848 283 P CB 0.248 31.111 31.700 -1.396 0.000 0.787 284 F N -2.375 117.574 119.950 -0.002 0.000 2.675 284 F HA 0.416 4.943 4.527 -0.000 0.000 0.324 284 F C -0.063 175.738 175.800 0.003 0.000 1.106 284 F CA -1.548 56.453 58.000 0.003 0.000 0.970 284 F CB -0.062 38.942 39.000 0.006 0.000 1.385 284 F HN -0.477 nan 8.300 nan 0.000 0.489 285 D N 0.840 121.378 120.400 0.229 0.000 2.383 285 D HA 0.502 5.142 4.640 -0.000 0.000 0.252 285 D C -0.570 175.804 176.300 0.124 0.000 1.166 285 D CA 0.605 54.676 54.000 0.119 0.000 0.879 285 D CB 0.796 41.642 40.800 0.076 0.000 1.164 285 D HN 0.725 nan 8.370 nan 0.000 0.462 286 S N 1.240 116.991 115.700 0.085 0.000 2.611 286 S HA 0.686 5.156 4.470 -0.000 0.000 0.268 286 S C -0.810 173.804 174.600 0.024 0.000 1.156 286 S CA -1.089 57.152 58.200 0.069 0.000 0.817 286 S CB 0.635 63.913 63.200 0.131 0.000 1.122 286 S HN 0.441 nan 8.310 nan 0.000 0.466 287 I N -2.644 117.937 120.570 0.019 0.000 2.846 287 I HA 0.805 4.975 4.170 -0.000 0.000 0.307 287 I C -0.334 175.785 176.117 0.003 0.000 1.053 287 I CA -1.099 60.211 61.300 0.017 0.000 1.050 287 I CB 1.260 39.292 38.000 0.053 0.000 1.239 287 I HN 0.781 nan 8.210 nan 0.000 0.439 288 F N 2.118 121.908 119.950 -0.268 0.000 3.074 288 F HA -0.179 4.348 4.527 -0.000 0.000 0.287 288 F C -0.378 174.901 175.800 -0.868 0.000 0.932 288 F CA 0.611 58.203 58.000 -0.679 0.000 0.995 288 F CB -0.630 37.907 39.000 -0.772 0.000 0.966 288 F HN 0.609 nan 8.300 nan 0.000 0.721 289 R N 0.566 120.637 120.500 -0.715 0.000 2.574 289 R HA 0.596 4.935 4.340 -0.000 0.000 0.288 289 R C -0.969 174.923 176.300 -0.681 0.000 1.004 289 R CA -0.547 55.199 56.100 -0.590 0.000 0.895 289 R CB 1.277 31.504 30.300 -0.122 0.000 1.191 289 R HN -0.006 nan 8.270 nan 0.000 0.444 290 F N -0.628 119.429 119.950 0.178 0.000 2.546 290 F HA 0.393 4.920 4.527 -0.000 0.000 0.320 290 F C 1.612 177.327 175.800 -0.142 0.000 1.076 290 F CA -0.854 57.159 58.000 0.021 0.000 0.928 290 F CB 1.634 40.750 39.000 0.193 0.000 1.189 290 F HN 0.341 nan 8.300 nan 0.000 0.465 291 S N 0.591 116.144 115.700 -0.245 0.000 2.343 291 S HA -0.044 4.426 4.470 -0.000 0.000 0.219 291 S C 0.090 174.282 174.600 -0.679 0.000 1.033 291 S CA 1.220 59.075 58.200 -0.575 0.000 1.014 291 S CB -0.254 62.408 63.200 -0.896 0.000 0.915 291 S HN 0.350 nan 8.310 nan 0.000 0.435 292 F N 1.768 121.721 119.950 0.005 0.000 2.347 292 F HA 0.555 5.082 4.527 -0.000 0.000 0.366 292 F C 0.050 175.859 175.800 0.016 0.000 1.107 292 F CA -0.970 57.062 58.000 0.053 0.000 1.058 292 F CB 1.034 40.098 39.000 0.106 0.000 1.236 292 F HN -0.074 nan 8.300 nan 0.000 0.456 293 V N 0.864 120.767 119.914 -0.019 0.000 3.158 293 V HA 0.754 4.873 4.120 -0.000 0.000 0.311 293 V C -2.873 172.936 176.094 -0.474 0.000 1.181 293 V CA -3.364 58.636 62.300 -0.500 0.000 1.054 293 V CB 1.954 33.620 31.823 -0.261 0.000 1.085 293 V HN 0.264 nan 8.190 nan 0.000 0.446 294 P HA 0.172 nan 4.420 nan 0.000 0.266 294 P C -0.563 176.666 177.300 -0.119 0.000 1.186 294 P CA 0.389 63.303 63.100 -0.310 0.000 0.767 294 P CB 0.276 31.731 31.700 -0.409 0.000 0.820 295 V N 1.313 121.249 119.914 0.037 0.000 2.581 295 V HA 0.397 4.517 4.120 -0.000 0.000 0.303 295 V C 0.134 176.288 176.094 0.101 0.000 1.041 295 V CA -0.864 61.446 62.300 0.016 0.000 0.907 295 V CB 1.686 33.520 31.823 0.020 0.000 0.994 295 V HN 0.230 nan 8.190 nan 0.000 0.442 296 I N 4.957 125.515 120.570 -0.019 0.000 2.293 296 I HA 0.167 4.336 4.170 -0.000 0.000 0.299 296 I C 0.922 177.045 176.117 0.010 0.000 1.153 296 I CA 0.138 61.444 61.300 0.011 0.000 1.302 296 I CB -0.167 37.757 38.000 -0.126 0.000 1.460 296 I HN 0.958 nan 8.210 nan 0.000 0.552 297 D N 3.163 123.624 120.400 0.101 0.000 2.354 297 D HA 0.047 4.687 4.640 -0.000 0.000 0.209 297 D C 1.410 177.686 176.300 -0.041 0.000 1.015 297 D CA 0.768 54.723 54.000 -0.076 0.000 0.867 297 D CB 0.359 41.171 40.800 0.021 0.000 0.933 297 D HN 0.623 nan 8.370 nan 0.000 0.520 298 G N 0.491 109.338 108.800 0.078 0.000 2.157 298 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.248 298 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.248 298 G C 0.561 175.519 174.900 0.097 0.000 0.979 298 G CA 0.674 45.825 45.100 0.084 0.000 0.650 298 G HN 0.545 nan 8.290 nan 0.000 0.529 299 E N -1.565 118.702 120.200 0.111 0.000 2.949 299 E HA 0.427 4.777 4.350 -0.000 0.000 0.182 299 E C 1.743 178.362 176.600 0.031 0.000 1.154 299 E CA -0.153 56.296 56.400 0.082 0.000 1.205 299 E CB -0.134 29.634 29.700 0.112 0.000 1.865 299 E HN 0.218 nan 8.360 nan 0.000 0.516 300 F N 0.502 120.357 119.950 -0.159 0.000 2.171 300 F HA 0.075 4.602 4.527 -0.000 0.000 0.300 300 F C -0.003 175.490 175.800 -0.513 0.000 1.090 300 F CA 1.074 58.842 58.000 -0.385 0.000 1.293 300 F CB 0.314 38.967 39.000 -0.578 0.000 1.013 300 F HN -0.031 nan 8.300 nan 0.000 0.486 301 F N 0.734 120.807 119.950 0.205 0.000 2.366 301 F HA 0.365 4.892 4.527 -0.000 0.000 0.366 301 F C -1.645 174.185 175.800 0.051 0.000 1.096 301 F CA -3.012 55.054 58.000 0.110 0.000 1.060 301 F CB 0.520 39.582 39.000 0.102 0.000 1.282 301 F HN -0.248 nan 8.300 nan 0.000 0.450 302 P HA -0.143 nan 4.420 nan 0.000 0.215 302 P C 0.532 177.890 177.300 0.097 0.000 1.163 302 P CA 1.972 65.130 63.100 0.097 0.000 0.894 302 P CB 0.146 31.882 31.700 0.059 0.000 0.791 303 T N -6.329 108.290 114.554 0.109 0.000 2.669 303 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 303 T C -0.198 174.534 174.700 0.054 0.000 1.019 303 T CA -0.664 61.477 62.100 0.068 0.000 1.039 303 T CB 0.758 69.653 68.868 0.045 0.000 1.374 303 T HN 0.012 nan 8.240 nan 0.000 0.523 304 S N 0.028 115.736 115.700 0.014 0.000 2.566 304 S HA 0.141 4.610 4.470 -0.000 0.000 0.280 304 S C 1.451 176.037 174.600 -0.023 0.000 1.343 304 S CA -0.651 57.532 58.200 -0.028 0.000 1.036 304 S CB -0.378 62.807 63.200 -0.025 0.000 0.866 304 S HN 0.652 nan 8.310 nan 0.000 0.526 305 L N 0.403 121.573 121.223 -0.088 0.000 2.093 305 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 305 L C 2.903 179.791 176.870 0.030 0.000 1.085 305 L CA 1.729 56.532 54.840 -0.061 0.000 0.755 305 L CB -0.746 41.216 42.059 -0.162 0.000 0.904 305 L HN 0.787 nan 8.230 nan 0.000 0.435 306 E N 0.782 121.000 120.200 0.029 0.000 2.051 306 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 306 E C 2.304 178.957 176.600 0.090 0.000 0.991 306 E CA 1.810 58.262 56.400 0.086 0.000 0.799 306 E CB -0.136 29.607 29.700 0.071 0.000 0.748 306 E HN 0.458 nan 8.360 nan 0.000 0.449 307 S N -0.307 115.430 115.700 0.061 0.000 2.382 307 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 307 S C 2.146 176.791 174.600 0.075 0.000 1.027 307 S CA 1.506 59.742 58.200 0.060 0.000 0.991 307 S CB -0.433 62.790 63.200 0.038 0.000 0.823 307 S HN 0.285 nan 8.310 nan 0.000 0.469 308 M N 0.850 120.506 119.600 0.093 0.000 2.175 308 M HA 0.065 4.545 4.480 -0.000 0.000 0.264 308 M C 2.271 178.707 176.300 0.228 0.000 1.063 308 M CA 1.291 56.671 55.300 0.134 0.000 1.119 308 M CB -0.623 32.082 32.600 0.175 0.000 1.377 308 M HN 0.300 nan 8.290 nan 0.000 0.415 309 L N 0.017 121.371 121.223 0.218 0.000 2.056 309 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 309 L C 2.233 179.267 176.870 0.273 0.000 1.078 309 L CA 0.930 55.920 54.840 0.250 0.000 0.749 309 L CB -0.744 41.374 42.059 0.097 0.000 0.901 309 L HN 0.352 nan 8.230 nan 0.000 0.433 310 N N -0.180 118.628 118.700 0.180 0.000 2.120 310 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 310 N C 1.995 177.623 175.510 0.196 0.000 1.024 310 N CA 1.785 54.945 53.050 0.183 0.000 0.852 310 N CB -0.258 38.303 38.487 0.124 0.000 1.003 310 N HN 0.327 nan 8.380 nan 0.000 0.424 311 S N -1.030 114.704 115.700 0.056 0.000 2.562 311 S HA 0.187 4.657 4.470 -0.000 0.000 0.221 311 S C 1.425 175.704 174.600 -0.535 0.000 0.975 311 S CA 0.701 58.848 58.200 -0.090 0.000 0.918 311 S CB 0.055 63.205 63.200 -0.084 0.000 0.772 311 S HN 0.448 nan 8.310 nan 0.000 0.531 312 G N 1.753 110.096 108.800 -0.762 0.000 2.159 312 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.256 312 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.256 312 G C 0.051 174.090 174.900 -1.436 0.000 0.977 312 G CA 0.072 44.022 45.100 -1.918 0.000 0.652 312 G HN 0.644 nan 8.290 nan 0.000 0.531 313 N N 0.880 119.212 118.700 -0.614 0.000 2.605 313 N HA 0.473 5.212 4.740 -0.000 0.000 0.282 313 N C -0.097 175.362 175.510 -0.085 0.000 1.206 313 N CA 0.405 53.261 53.050 -0.324 0.000 1.074 313 N CB -1.104 37.316 38.487 -0.112 0.000 1.434 313 N HN 0.854 nan 8.380 nan 0.000 0.506 314 F N -1.057 118.834 119.950 -0.098 0.000 2.878 314 F HA 0.353 4.880 4.527 -0.000 0.000 0.322 314 F C -0.523 175.288 175.800 0.017 0.000 1.154 314 F CA -1.446 56.566 58.000 0.020 0.000 0.896 314 F CB 0.539 39.618 39.000 0.131 0.000 1.313 314 F HN -0.093 nan 8.300 nan 0.000 0.451 315 K N 1.515 122.164 120.400 0.415 0.000 2.416 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.283 315 K C -1.062 175.782 176.600 0.406 0.000 1.037 315 K CA -0.222 56.221 56.287 0.261 0.000 0.995 315 K CB 0.512 33.123 32.500 0.185 0.000 0.938 315 K HN 0.625 nan 8.250 nan 0.000 0.475 316 K N 2.890 123.384 120.400 0.156 0.000 2.268 316 K HA 0.174 4.494 4.320 -0.000 0.000 0.276 316 K C -0.211 176.507 176.600 0.196 0.000 1.080 316 K CA -0.207 56.174 56.287 0.157 0.000 0.910 316 K CB 1.739 34.234 32.500 -0.009 0.000 1.163 316 K HN 0.642 nan 8.250 nan 0.000 0.465 317 T N 1.349 116.115 114.554 0.353 0.000 2.606 317 T HA 0.336 4.686 4.350 -0.000 0.000 0.280 317 T C -1.344 173.566 174.700 0.350 0.000 1.074 317 T CA -0.613 61.647 62.100 0.267 0.000 1.140 317 T CB 0.636 69.631 68.868 0.212 0.000 1.631 317 T HN 0.390 nan 8.240 nan 0.000 0.464 318 Q N 1.004 120.983 119.800 0.297 0.000 2.274 318 Q HA 0.753 5.093 4.340 -0.000 0.000 0.260 318 Q C -0.553 175.745 176.000 0.497 0.000 0.974 318 Q CA -0.534 55.498 55.803 0.381 0.000 0.876 318 Q CB 1.743 30.675 28.738 0.324 0.000 1.297 318 Q HN 0.673 nan 8.270 nan 0.000 0.446 319 I N -1.189 119.610 120.570 0.381 0.000 2.828 319 I HA 0.723 4.893 4.170 -0.000 0.000 0.302 319 I C -1.510 174.484 176.117 -0.205 0.000 1.101 319 I CA -1.390 59.987 61.300 0.127 0.000 1.031 319 I CB 1.906 39.828 38.000 -0.129 0.000 1.231 319 I HN 0.560 nan 8.210 nan 0.000 0.427 320 L N 6.873 127.742 121.223 -0.590 0.000 2.409 320 L HA 0.794 5.134 4.340 -0.000 0.000 0.272 320 L C -1.417 175.251 176.870 -0.337 0.000 0.980 320 L CA -0.532 53.873 54.840 -0.726 0.000 0.826 320 L CB 1.698 42.806 42.059 -1.584 0.000 1.268 320 L HN 0.852 nan 8.230 nan 0.000 0.407 321 L N 2.461 123.620 121.223 -0.106 0.000 2.622 321 L HA 1.103 5.443 4.340 -0.000 0.000 0.258 321 L C -0.856 175.822 176.870 -0.321 0.000 0.996 321 L CA -0.370 54.434 54.840 -0.061 0.000 0.858 321 L CB 1.929 43.936 42.059 -0.087 0.000 1.449 321 L HN 0.672 nan 8.230 nan 0.000 0.411 322 G N 0.162 108.571 108.800 -0.651 0.000 2.489 322 G HA2 0.633 4.593 3.960 -0.000 0.000 0.305 322 G HA3 0.633 4.593 3.960 -0.000 0.000 0.305 322 G C -1.445 173.152 174.900 -0.505 0.000 1.311 322 G CA -0.012 44.377 45.100 -1.186 0.000 0.813 322 G HN 1.459 nan 8.290 nan 0.000 0.480 323 V N -2.664 117.100 119.914 -0.250 0.000 3.167 323 V HA 0.864 4.984 4.120 -0.000 0.000 0.310 323 V C -1.084 175.090 176.094 0.132 0.000 1.207 323 V CA -1.425 60.913 62.300 0.063 0.000 1.059 323 V CB 1.891 33.775 31.823 0.102 0.000 1.079 323 V HN 0.647 nan 8.190 nan 0.000 0.446 324 N N 0.579 119.357 118.700 0.131 0.000 2.430 324 N HA 0.452 5.192 4.740 -0.000 0.000 0.298 324 N C 0.496 175.961 175.510 -0.075 0.000 1.130 324 N CA -0.529 52.580 53.050 0.098 0.000 0.894 324 N CB 1.858 40.489 38.487 0.241 0.000 1.209 324 N HN 0.925 nan 8.380 nan 0.000 0.503 325 K N 0.179 120.432 120.400 -0.246 0.000 2.063 325 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 325 K C -0.555 176.146 176.600 0.169 0.000 1.048 325 K CA 1.388 57.640 56.287 -0.060 0.000 0.928 325 K CB 0.198 32.706 32.500 0.013 0.000 0.713 325 K HN 0.531 nan 8.250 nan 0.000 0.442 326 D N 0.968 121.459 120.400 0.152 0.000 2.795 326 D HA 0.025 4.665 4.640 -0.000 0.000 0.335 326 D C 0.046 176.473 176.300 0.211 0.000 1.262 326 D CA -0.073 54.034 54.000 0.178 0.000 0.885 326 D CB 1.167 42.047 40.800 0.134 0.000 1.047 326 D HN 0.193 nan 8.370 nan 0.000 0.500 327 E N 0.479 120.831 120.200 0.254 0.000 2.209 327 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 327 E C 1.966 178.790 176.600 0.373 0.000 0.993 327 E CA 0.640 57.253 56.400 0.356 0.000 0.819 327 E CB 0.108 30.008 29.700 0.333 0.000 0.745 327 E HN 0.416 nan 8.360 nan 0.000 0.477 328 G N 1.268 110.234 108.800 0.277 0.000 2.623 328 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 328 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 328 G C 1.728 176.800 174.900 0.287 0.000 1.138 328 G CA 0.786 46.061 45.100 0.292 0.000 0.794 328 G HN 0.369 nan 8.290 nan 0.000 0.535 329 S N 0.717 116.533 115.700 0.193 0.000 2.370 329 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 329 S C 2.072 176.657 174.600 -0.024 0.000 1.033 329 S CA 1.105 59.360 58.200 0.092 0.000 1.011 329 S CB -0.609 62.533 63.200 -0.097 0.000 0.852 329 S HN 0.123 nan 8.310 nan 0.000 0.457 330 F N 2.142 121.931 119.950 -0.267 0.000 2.091 330 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 330 F C 1.911 177.393 175.800 -0.530 0.000 1.103 330 F CA 0.812 58.473 58.000 -0.565 0.000 1.228 330 F CB -0.892 37.557 39.000 -0.918 0.000 0.984 330 F HN 0.198 nan 8.300 nan 0.000 0.477 331 F N -0.771 119.151 119.950 -0.048 0.000 2.325 331 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 331 F C 2.246 178.002 175.800 -0.073 0.000 1.090 331 F CA 0.716 58.633 58.000 -0.140 0.000 1.392 331 F CB -1.028 37.811 39.000 -0.268 0.000 1.053 331 F HN -0.098 nan 8.300 nan 0.000 0.521 332 L N -0.695 120.524 121.223 -0.006 0.000 2.072 332 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 332 L C 2.464 179.212 176.870 -0.203 0.000 1.079 332 L CA 0.556 55.164 54.840 -0.387 0.000 0.752 332 L CB -0.651 40.754 42.059 -1.091 0.000 0.906 332 L HN 0.157 nan 8.230 nan 0.000 0.436 333 L N -0.921 120.371 121.223 0.114 0.000 2.043 333 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 333 L C 2.298 179.393 176.870 0.374 0.000 1.075 333 L CA 2.065 57.157 54.840 0.420 0.000 0.752 333 L CB -0.617 41.728 42.059 0.477 0.000 0.891 333 L HN 0.130 nan 8.230 nan 0.000 0.432 334 Y N -0.918 119.457 120.300 0.125 0.000 2.365 334 Y HA 0.224 4.774 4.550 -0.000 0.000 0.293 334 Y C 2.344 178.249 175.900 0.010 0.000 1.119 334 Y CA 0.910 59.052 58.100 0.070 0.000 1.203 334 Y CB -0.385 38.071 38.460 -0.006 0.000 1.026 334 Y HN 0.245 nan 8.280 nan 0.000 0.549 335 G N -1.575 107.318 108.800 0.155 0.000 3.274 335 G HA2 0.466 4.426 3.960 -0.000 0.000 0.250 335 G HA3 0.466 4.426 3.960 -0.000 0.000 0.250 335 G C -0.090 174.854 174.900 0.073 0.000 1.024 335 G CA 0.428 45.571 45.100 0.073 0.000 0.840 335 G HN 0.272 nan 8.290 nan 0.000 0.522 336 A N 1.445 124.332 122.820 0.111 0.000 2.330 336 A HA 0.812 5.132 4.320 -0.000 0.000 0.327 336 A C -2.591 175.169 177.584 0.294 0.000 1.155 336 A CA -1.598 50.542 52.037 0.172 0.000 0.803 336 A CB 1.518 20.606 19.000 0.146 0.000 1.208 336 A HN 0.045 nan 8.150 nan 0.000 0.477 337 P HA 0.246 nan 4.420 nan 0.000 0.265 337 P C 0.893 178.237 177.300 0.074 0.000 1.193 337 P CA 1.553 64.725 63.100 0.119 0.000 0.765 337 P CB 1.025 32.761 31.700 0.061 0.000 0.823 338 G N 1.755 110.539 108.800 -0.027 0.000 2.234 338 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 338 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 338 G C -0.183 174.476 174.900 -0.402 0.000 0.997 338 G CA -0.486 44.468 45.100 -0.243 0.000 0.623 338 G HN 0.433 nan 8.290 nan 0.000 0.514 339 F N 1.737 121.638 119.950 -0.082 0.000 2.394 339 F HA 0.731 5.258 4.527 -0.000 0.000 0.340 339 F C 0.735 176.571 175.800 0.059 0.000 1.105 339 F CA 0.156 58.095 58.000 -0.102 0.000 1.124 339 F CB 2.077 41.071 39.000 -0.011 0.000 1.145 339 F HN 0.165 nan 8.300 nan 0.000 0.505 340 S N 1.672 117.539 115.700 0.278 0.000 2.541 340 S HA 0.289 4.759 4.470 -0.000 0.000 0.271 340 S C 0.149 175.023 174.600 0.457 0.000 1.133 340 S CA -0.932 57.449 58.200 0.301 0.000 0.876 340 S CB 1.382 64.668 63.200 0.142 0.000 1.105 340 S HN 0.772 nan 8.310 nan 0.000 0.470 341 K N 1.321 121.914 120.400 0.322 0.000 2.459 341 K HA 0.194 4.514 4.320 -0.000 0.000 0.193 341 K C -0.326 176.330 176.600 0.093 0.000 1.030 341 K CA 0.668 57.084 56.287 0.215 0.000 1.026 341 K CB -0.007 32.424 32.500 -0.114 0.000 0.809 341 K HN 0.441 nan 8.250 nan 0.000 0.504 342 D N 1.388 121.842 120.400 0.090 0.000 2.462 342 D HA 0.049 4.689 4.640 -0.000 0.000 0.221 342 D C -0.241 176.104 176.300 0.074 0.000 1.173 342 D CA 0.132 54.152 54.000 0.034 0.000 0.831 342 D CB 0.992 41.780 40.800 -0.020 0.000 1.001 342 D HN 0.337 nan 8.370 nan 0.000 0.499 343 S N -1.224 114.562 115.700 0.144 0.000 2.625 343 S HA 0.284 4.754 4.470 -0.000 0.000 0.271 343 S C 0.551 175.228 174.600 0.129 0.000 1.161 343 S CA -0.688 57.565 58.200 0.089 0.000 0.820 343 S CB 2.136 65.343 63.200 0.012 0.000 1.137 343 S HN -0.163 nan 8.310 nan 0.000 0.470 344 E N 0.904 121.126 120.200 0.035 0.000 2.409 344 E HA 0.053 4.403 4.350 -0.000 0.000 0.198 344 E C -0.339 176.057 176.600 -0.341 0.000 1.024 344 E CA 0.677 57.078 56.400 0.001 0.000 0.861 344 E CB -0.264 29.431 29.700 -0.008 0.000 0.788 344 E HN 0.719 nan 8.360 nan 0.000 0.521 345 S N 1.061 116.529 115.700 -0.388 0.000 3.711 345 S HA -0.173 4.297 4.470 -0.000 0.000 0.374 345 S C -0.316 173.916 174.600 -0.614 0.000 0.969 345 S CA 0.568 58.383 58.200 -0.641 0.000 1.198 345 S CB -1.202 61.282 63.200 -1.193 0.000 0.903 345 S HN 0.275 nan 8.310 nan 0.000 0.493 346 K N 1.004 121.185 120.400 -0.364 0.000 2.368 346 K HA 0.286 4.605 4.320 -0.000 0.000 0.282 346 K C 0.360 176.770 176.600 -0.318 0.000 1.035 346 K CA -0.175 55.944 56.287 -0.279 0.000 0.973 346 K CB 0.400 32.800 32.500 -0.166 0.000 0.957 346 K HN 0.237 nan 8.250 nan 0.000 0.474 347 I N 2.879 123.271 120.570 -0.297 0.000 2.336 347 I HA 0.041 4.211 4.170 -0.000 0.000 0.292 347 I C 0.918 176.962 176.117 -0.122 0.000 0.991 347 I CA -0.275 60.871 61.300 -0.257 0.000 1.227 347 I CB 1.034 38.891 38.000 -0.238 0.000 1.366 347 I HN 0.660 nan 8.210 nan 0.000 0.466 348 S N 6.035 121.679 115.700 -0.094 0.000 2.603 348 S HA 0.216 4.686 4.470 -0.000 0.000 0.268 348 S C 1.226 175.829 174.600 0.005 0.000 1.317 348 S CA -0.421 57.749 58.200 -0.049 0.000 1.012 348 S CB 1.446 64.622 63.200 -0.039 0.000 0.926 348 S HN 0.677 nan 8.310 nan 0.000 0.539 349 R N 1.012 121.510 120.500 -0.003 0.000 2.105 349 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 349 R C 2.201 178.571 176.300 0.117 0.000 1.135 349 R CA 2.204 58.323 56.100 0.032 0.000 0.967 349 R CB -0.659 29.642 30.300 0.001 0.000 0.861 349 R HN 0.933 nan 8.270 nan 0.000 0.442 350 E N -0.277 119.967 120.200 0.072 0.000 2.051 350 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 350 E C 0.989 177.634 176.600 0.075 0.000 0.991 350 E CA 1.714 58.156 56.400 0.070 0.000 0.799 350 E CB -0.065 29.658 29.700 0.038 0.000 0.748 350 E HN 0.403 nan 8.360 nan 0.000 0.449 351 D N -0.312 120.123 120.400 0.060 0.000 2.183 351 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 351 D C 1.583 177.937 176.300 0.091 0.000 0.969 351 D CA 0.482 54.512 54.000 0.049 0.000 0.842 351 D CB -0.318 40.477 40.800 -0.007 0.000 0.957 351 D HN 0.211 nan 8.370 nan 0.000 0.484 352 F N 1.023 120.967 119.950 -0.011 0.000 2.102 352 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 352 F C 2.301 178.115 175.800 0.024 0.000 1.105 352 F CA 1.277 59.282 58.000 0.008 0.000 1.239 352 F CB -0.171 38.812 39.000 -0.028 0.000 0.991 352 F HN -0.172 nan 8.300 nan 0.000 0.474 353 M N -0.060 119.644 119.600 0.174 0.000 2.080 353 M HA -0.249 4.231 4.480 -0.000 0.000 0.260 353 M C 2.217 178.498 176.300 -0.030 0.000 1.068 353 M CA 2.272 57.618 55.300 0.077 0.000 1.109 353 M CB -0.516 32.162 32.600 0.131 0.000 1.342 353 M HN 0.168 nan 8.290 nan 0.000 0.405 354 S N -0.007 115.690 115.700 -0.005 0.000 2.423 354 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 354 S C 1.990 176.562 174.600 -0.047 0.000 1.014 354 S CA 1.045 59.236 58.200 -0.015 0.000 0.965 354 S CB -0.994 62.214 63.200 0.012 0.000 0.785 354 S HN 0.657 nan 8.310 nan 0.000 0.495 355 G N 2.132 110.888 108.800 -0.074 0.000 2.418 355 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 355 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 355 G C 1.622 176.413 174.900 -0.182 0.000 1.158 355 G CA 1.054 46.100 45.100 -0.090 0.000 0.771 355 G HN 0.594 nan 8.290 nan 0.000 0.545 356 V N -0.461 119.273 119.914 -0.299 0.000 2.548 356 V HA 0.053 4.173 4.120 -0.000 0.000 0.249 356 V C 2.364 178.364 176.094 -0.157 0.000 1.055 356 V CA 2.526 64.672 62.300 -0.257 0.000 1.065 356 V CB -0.445 31.204 31.823 -0.289 0.000 0.681 356 V HN 0.339 nan 8.190 nan 0.000 0.462 357 K N -0.651 119.673 120.400 -0.126 0.000 2.057 357 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 357 K C 2.130 178.662 176.600 -0.112 0.000 1.049 357 K CA 1.725 57.942 56.287 -0.116 0.000 0.931 357 K CB -0.201 32.250 32.500 -0.080 0.000 0.714 357 K HN 0.443 nan 8.250 nan 0.000 0.440 358 L N 1.041 122.219 121.223 -0.075 0.000 2.046 358 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 358 L C 2.267 179.109 176.870 -0.046 0.000 1.077 358 L CA 1.626 56.442 54.840 -0.041 0.000 0.747 358 L CB -0.906 41.143 42.059 -0.015 0.000 0.896 358 L HN 0.110 nan 8.230 nan 0.000 0.432 359 S N -1.340 114.317 115.700 -0.072 0.000 2.402 359 S HA -0.019 4.451 4.470 -0.000 0.000 0.229 359 S C 1.055 175.601 174.600 -0.089 0.000 1.021 359 S CA 0.653 58.815 58.200 -0.064 0.000 0.974 359 S CB 0.073 63.216 63.200 -0.095 0.000 0.800 359 S HN 0.203 nan 8.310 nan 0.000 0.484 360 V N 2.959 122.764 119.914 -0.182 0.000 2.454 360 V HA 0.196 4.316 4.120 -0.000 0.000 0.255 360 V C -1.648 174.180 176.094 -0.443 0.000 1.009 360 V CA -1.365 60.715 62.300 -0.367 0.000 1.149 360 V CB 0.630 32.241 31.823 -0.354 0.000 1.418 360 V HN 0.198 nan 8.190 nan 0.000 0.567 361 P HA -0.230 nan 4.420 nan 0.000 0.217 361 P C 1.284 178.102 177.300 -0.803 0.000 1.148 361 P CA 1.824 64.662 63.100 -0.436 0.000 0.828 361 P CB 0.032 31.641 31.700 -0.153 0.000 0.783 362 H N -0.578 118.211 119.070 -0.469 0.000 2.529 362 H HA 0.347 4.903 4.556 -0.000 0.000 0.277 362 H C 0.802 175.975 175.328 -0.259 0.000 0.999 362 H CA 0.189 56.003 56.048 -0.390 0.000 1.256 362 H CB -0.924 28.787 29.762 -0.084 0.000 1.402 362 H HN 0.015 nan 8.280 nan 0.000 0.566 363 A N 2.702 125.195 122.820 -0.545 0.000 2.462 363 A HA 0.133 4.453 4.320 -0.000 0.000 0.243 363 A C 0.400 177.860 177.584 -0.206 0.000 1.076 363 A CA -0.205 51.639 52.037 -0.323 0.000 0.773 363 A CB 0.053 18.847 19.000 -0.343 0.000 1.010 363 A HN 0.709 nan 8.150 nan 0.000 0.493 364 N N 1.155 119.778 118.700 -0.128 0.000 2.366 364 N HA 0.112 4.852 4.740 -0.000 0.000 0.277 364 N C 0.361 175.826 175.510 -0.075 0.000 1.275 364 N CA -0.025 52.971 53.050 -0.089 0.000 0.964 364 N CB 0.087 38.539 38.487 -0.058 0.000 1.167 364 N HN 0.562 nan 8.380 nan 0.000 0.568 365 D N -1.128 119.244 120.400 -0.047 0.000 2.123 365 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 365 D C 1.603 177.897 176.300 -0.010 0.000 0.992 365 D CA 0.835 54.819 54.000 -0.025 0.000 0.833 365 D CB -0.153 40.640 40.800 -0.012 0.000 0.954 365 D HN 0.471 nan 8.370 nan 0.000 0.455 366 L N -0.074 121.141 121.223 -0.013 0.000 2.083 366 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 366 L C 2.193 179.066 176.870 0.005 0.000 1.083 366 L CA 2.131 56.973 54.840 0.003 0.000 0.752 366 L CB -0.913 41.140 42.059 -0.010 0.000 0.899 366 L HN 0.126 nan 8.230 nan 0.000 0.433 367 G N -0.520 108.257 108.800 -0.038 0.000 2.421 367 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 367 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 367 G C 1.591 176.484 174.900 -0.011 0.000 1.171 367 G CA 1.025 46.090 45.100 -0.058 0.000 0.775 367 G HN 0.418 nan 8.290 nan 0.000 0.543 368 L N 0.465 121.672 121.223 -0.026 0.000 2.042 368 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 368 L C 2.552 179.466 176.870 0.073 0.000 1.076 368 L CA 1.320 56.160 54.840 -0.001 0.000 0.749 368 L CB -0.442 41.603 42.059 -0.024 0.000 0.893 368 L HN 0.108 nan 8.230 nan 0.000 0.432 369 D N 0.118 120.568 120.400 0.083 0.000 2.144 369 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 369 D C 2.213 178.611 176.300 0.164 0.000 0.984 369 D CA 1.476 55.551 54.000 0.125 0.000 0.834 369 D CB -0.044 40.815 40.800 0.099 0.000 0.955 369 D HN 0.324 nan 8.370 nan 0.000 0.465 370 A N 0.415 123.347 122.820 0.188 0.000 1.898 370 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 370 A C 2.513 180.242 177.584 0.242 0.000 1.181 370 A CA 1.214 53.427 52.037 0.293 0.000 0.620 370 A CB -0.721 18.550 19.000 0.453 0.000 0.819 370 A HN 0.143 nan 8.150 nan 0.000 0.442 371 V N -0.272 119.815 119.914 0.288 0.000 2.295 371 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 371 V C 2.750 178.968 176.094 0.206 0.000 1.049 371 V CA 2.505 64.934 62.300 0.215 0.000 1.024 371 V CB -1.359 30.582 31.823 0.197 0.000 0.648 371 V HN 0.597 nan 8.190 nan 0.000 0.447 372 T N 0.603 115.288 114.554 0.219 0.000 2.652 372 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 372 T C 1.913 176.755 174.700 0.237 0.000 1.039 372 T CA 2.014 64.302 62.100 0.313 0.000 1.153 372 T CB -0.411 68.647 68.868 0.316 0.000 0.863 372 T HN 0.303 nan 8.240 nan 0.000 0.428 373 L N 1.188 122.530 121.223 0.199 0.000 2.046 373 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 373 L C 2.455 179.316 176.870 -0.015 0.000 1.077 373 L CA 1.835 56.785 54.840 0.182 0.000 0.747 373 L CB -0.807 41.344 42.059 0.154 0.000 0.896 373 L HN 0.142 nan 8.230 nan 0.000 0.432 374 Q N -1.485 118.205 119.800 -0.184 0.000 2.224 374 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 374 Q C 0.947 176.664 176.000 -0.471 0.000 0.970 374 Q CA 1.729 57.236 55.803 -0.493 0.000 0.865 374 Q CB -0.146 27.902 28.738 -1.150 0.000 0.922 374 Q HN 0.699 nan 8.270 nan 0.000 0.445 375 Y N -1.161 119.075 120.300 -0.106 0.000 2.636 375 Y HA 0.340 4.890 4.550 -0.000 0.000 0.260 375 Y C -0.346 175.497 175.900 -0.093 0.000 1.177 375 Y CA -0.294 57.806 58.100 -0.001 0.000 1.209 375 Y CB 1.086 39.659 38.460 0.188 0.000 1.166 375 Y HN -0.187 nan 8.280 nan 0.000 0.531 376 T N 0.365 114.827 114.554 -0.153 0.000 2.807 376 T HA 0.117 4.467 4.350 -0.000 0.000 0.279 376 T C -1.028 173.366 174.700 -0.510 0.000 0.993 376 T CA -0.705 61.090 62.100 -0.509 0.000 0.970 376 T CB 1.325 69.656 68.868 -0.895 0.000 0.950 376 T HN -0.023 nan 8.240 nan 0.000 0.441 377 D N 1.843 121.969 120.400 -0.458 0.000 2.441 377 D HA 0.132 4.772 4.640 -0.000 0.000 0.221 377 D C 0.167 176.287 176.300 -0.300 0.000 1.156 377 D CA -0.777 53.060 54.000 -0.272 0.000 0.896 377 D CB 0.273 40.967 40.800 -0.177 0.000 1.028 377 D HN 0.615 nan 8.370 nan 0.000 0.509 378 W N 2.917 124.173 121.300 -0.074 0.000 2.611 378 W HA -0.024 4.636 4.660 -0.000 0.000 0.251 378 W C 2.055 178.542 176.519 -0.054 0.000 1.265 378 W CA -0.007 57.299 57.345 -0.064 0.000 1.295 378 W CB -0.009 29.419 29.460 -0.053 0.000 1.129 378 W HN 0.405 nan 8.180 nan 0.000 0.630 379 M N -0.910 118.765 119.600 0.126 0.000 2.506 379 M HA -0.042 4.438 4.480 -0.000 0.000 0.260 379 M C 0.182 176.502 176.300 0.033 0.000 1.104 379 M CA 1.259 56.605 55.300 0.075 0.000 1.112 379 M CB 0.103 32.724 32.600 0.035 0.000 1.401 379 M HN -0.233 nan 8.290 nan 0.000 0.473 380 D N -0.061 120.329 120.400 -0.017 0.000 3.060 380 D HA 0.012 4.652 4.640 -0.000 0.000 0.326 380 D C 0.171 176.389 176.300 -0.136 0.000 1.253 380 D CA 0.017 53.983 54.000 -0.057 0.000 0.737 380 D CB 0.249 41.013 40.800 -0.060 0.000 1.260 380 D HN 0.212 nan 8.370 nan 0.000 0.542 381 D N -0.769 119.543 120.400 -0.147 0.000 2.348 381 D HA -0.100 4.540 4.640 -0.000 0.000 0.216 381 D C 0.580 176.746 176.300 -0.224 0.000 0.970 381 D CA 0.216 54.036 54.000 -0.300 0.000 0.889 381 D CB 0.213 40.803 40.800 -0.350 0.000 0.912 381 D HN 0.149 nan 8.370 nan 0.000 0.524 382 N N 0.644 119.272 118.700 -0.121 0.000 2.236 382 N HA -0.053 4.687 4.740 -0.000 0.000 0.196 382 N C 0.129 175.580 175.510 -0.100 0.000 1.114 382 N CA -0.154 52.838 53.050 -0.095 0.000 0.859 382 N CB -0.035 38.424 38.487 -0.046 0.000 0.982 382 N HN 0.143 nan 8.380 nan 0.000 0.493 383 N N 1.440 120.070 118.700 -0.116 0.000 2.406 383 N HA 0.005 4.745 4.740 -0.000 0.000 0.274 383 N C 1.310 176.754 175.510 -0.110 0.000 1.249 383 N CA 0.068 53.060 53.050 -0.097 0.000 0.951 383 N CB 0.609 39.041 38.487 -0.091 0.000 1.241 383 N HN 0.158 nan 8.380 nan 0.000 0.485 384 G N 4.153 112.895 108.800 -0.097 0.000 2.469 384 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 384 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 384 G C 1.551 176.389 174.900 -0.103 0.000 1.136 384 G CA 0.555 45.590 45.100 -0.110 0.000 0.759 384 G HN 0.692 nan 8.290 nan 0.000 0.562 385 I N 0.024 120.551 120.570 -0.072 0.000 2.286 385 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 385 I C 2.763 178.873 176.117 -0.012 0.000 1.104 385 I CA 1.070 62.348 61.300 -0.037 0.000 1.397 385 I CB -0.163 37.830 38.000 -0.013 0.000 1.072 385 I HN 0.117 nan 8.210 nan 0.000 0.417 386 K N 0.564 120.940 120.400 -0.039 0.000 2.148 386 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 386 K C 1.827 178.399 176.600 -0.047 0.000 1.050 386 K CA 1.096 57.359 56.287 -0.040 0.000 0.942 386 K CB -0.168 32.276 32.500 -0.093 0.000 0.724 386 K HN 0.276 nan 8.250 nan 0.000 0.446 387 N N 0.938 119.581 118.700 -0.095 0.000 2.142 387 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 387 N C 1.700 177.324 175.510 0.191 0.000 1.023 387 N CA 0.918 53.929 53.050 -0.064 0.000 0.852 387 N CB -0.152 38.267 38.487 -0.113 0.000 0.998 387 N HN 0.189 nan 8.380 nan 0.000 0.424 388 R N 1.034 121.577 120.500 0.073 0.000 2.070 388 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 388 R C 0.972 177.429 176.300 0.262 0.000 1.138 388 R CA 1.748 57.912 56.100 0.107 0.000 0.936 388 R CB -0.167 30.087 30.300 -0.075 0.000 0.839 388 R HN 0.051 nan 8.270 nan 0.000 0.429 389 D N -0.506 120.017 120.400 0.204 0.000 2.149 389 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 389 D C 1.711 178.166 176.300 0.259 0.000 0.990 389 D CA 1.524 55.663 54.000 0.232 0.000 0.839 389 D CB -0.602 40.303 40.800 0.176 0.000 0.948 389 D HN 0.546 nan 8.370 nan 0.000 0.460 390 G N 0.471 109.435 108.800 0.272 0.000 2.421 390 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 390 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 390 G C 1.537 176.641 174.900 0.340 0.000 1.171 390 G CA 0.353 45.677 45.100 0.372 0.000 0.775 390 G HN 0.201 nan 8.290 nan 0.000 0.543 391 L N 0.906 122.348 121.223 0.364 0.000 2.093 391 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 391 L C 2.297 179.230 176.870 0.106 0.000 1.085 391 L CA 1.886 56.811 54.840 0.142 0.000 0.755 391 L CB -0.593 41.599 42.059 0.222 0.000 0.904 391 L HN 0.184 nan 8.230 nan 0.000 0.435 392 D N -0.588 119.938 120.400 0.209 0.000 2.092 392 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 392 D C 1.700 178.086 176.300 0.144 0.000 0.994 392 D CA 1.401 55.520 54.000 0.198 0.000 0.828 392 D CB 0.036 41.011 40.800 0.291 0.000 0.963 392 D HN 0.301 nan 8.370 nan 0.000 0.450 393 D N -0.156 120.346 120.400 0.170 0.000 2.123 393 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 393 D C 2.333 178.643 176.300 0.016 0.000 0.992 393 D CA 0.469 54.580 54.000 0.184 0.000 0.833 393 D CB -0.300 40.718 40.800 0.363 0.000 0.954 393 D HN 0.361 nan 8.370 nan 0.000 0.455 394 I N 0.453 120.885 120.570 -0.230 0.000 2.127 394 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 394 I C 2.456 178.426 176.117 -0.245 0.000 1.075 394 I CA 0.781 61.854 61.300 -0.379 0.000 1.334 394 I CB -0.231 37.541 38.000 -0.380 0.000 1.040 394 I HN -0.097 nan 8.210 nan 0.000 0.405 395 V N 0.942 120.775 119.914 -0.135 0.000 2.287 395 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 395 V C 2.537 178.543 176.094 -0.146 0.000 1.053 395 V CA 2.308 64.545 62.300 -0.105 0.000 1.027 395 V CB -1.466 30.363 31.823 0.011 0.000 0.646 395 V HN 0.606 nan 8.190 nan 0.000 0.447 396 G N -0.589 108.185 108.800 -0.044 0.000 2.402 396 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.216 396 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.216 396 G C 1.229 176.068 174.900 -0.102 0.000 1.162 396 G CA 0.975 46.069 45.100 -0.010 0.000 0.777 396 G HN 0.501 nan 8.290 nan 0.000 0.539 397 D N -0.245 120.080 120.400 -0.125 0.000 2.097 397 D HA -0.091 4.548 4.640 -0.000 0.000 0.195 397 D C 2.103 178.054 176.300 -0.581 0.000 0.989 397 D CA 1.297 55.179 54.000 -0.197 0.000 0.827 397 D CB -0.459 40.364 40.800 0.039 0.000 0.966 397 D HN 0.417 nan 8.370 nan 0.000 0.456 398 H N 0.650 119.051 119.070 -1.114 0.000 2.357 398 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 398 H C 1.526 176.488 175.328 -0.609 0.000 1.082 398 H CA 1.629 56.940 56.048 -1.228 0.000 1.342 398 H CB 0.059 28.954 29.762 -1.445 0.000 1.389 398 H HN 0.016 nan 8.280 nan 0.000 0.511 399 N N -0.771 117.505 118.700 -0.706 0.000 2.368 399 N HA -0.018 4.721 4.740 -0.000 0.000 0.176 399 N C 1.273 176.540 175.510 -0.406 0.000 1.021 399 N CA 1.187 53.779 53.050 -0.764 0.000 0.888 399 N CB 0.899 38.532 38.487 -1.425 0.000 0.995 399 N HN 0.260 nan 8.380 nan 0.000 0.437 400 V N 0.669 120.419 119.914 -0.274 0.000 3.134 400 V HA 0.147 4.267 4.120 -0.000 0.000 0.222 400 V C 2.107 178.179 176.094 -0.035 0.000 1.247 400 V CA -0.032 62.235 62.300 -0.055 0.000 1.281 400 V CB 0.108 31.982 31.823 0.085 0.000 1.169 400 V HN -0.038 nan 8.190 nan 0.000 0.512 401 I N 0.562 121.123 120.570 -0.015 0.000 2.127 401 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 401 I C 2.524 178.650 176.117 0.014 0.000 1.075 401 I CA 1.928 63.245 61.300 0.027 0.000 1.334 401 I CB -0.443 37.609 38.000 0.087 0.000 1.040 401 I HN 0.393 nan 8.210 nan 0.000 0.405 402 c N 0.464 119.060 118.600 -0.007 0.000 2.457 402 c HA -0.008 4.562 4.570 -0.000 0.000 0.278 402 c C 0.246 174.367 174.090 0.051 0.000 1.309 402 c CA 0.518 56.884 56.329 0.062 0.000 1.735 402 c CB -1.729 40.863 42.510 0.136 0.000 1.992 402 c HN 0.342 nan 8.230 nan 0.000 0.493 403 P HA -0.103 nan 4.420 nan 0.000 0.216 403 P C 1.753 179.085 177.300 0.053 0.000 1.153 403 P CA 1.118 64.199 63.100 -0.033 0.000 0.848 403 P CB -0.183 31.410 31.700 -0.177 0.000 0.787 404 L N -1.962 119.269 121.223 0.012 0.000 2.093 404 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 404 L C 2.065 178.975 176.870 0.067 0.000 1.085 404 L CA 1.614 56.475 54.840 0.035 0.000 0.755 404 L CB -0.509 41.540 42.059 -0.017 0.000 0.904 404 L HN -0.105 nan 8.230 nan 0.000 0.435 405 M N -1.036 118.594 119.600 0.049 0.000 2.175 405 M HA -0.198 4.282 4.480 -0.000 0.000 0.264 405 M C 2.254 178.604 176.300 0.085 0.000 1.063 405 M CA 1.578 56.895 55.300 0.029 0.000 1.119 405 M CB -1.538 31.096 32.600 0.057 0.000 1.377 405 M HN 0.414 nan 8.290 nan 0.000 0.415 406 H N -0.015 119.084 119.070 0.048 0.000 2.293 406 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 406 H C 1.849 177.210 175.328 0.054 0.000 1.082 406 H CA 2.231 58.314 56.048 0.058 0.000 1.308 406 H CB -0.488 29.309 29.762 0.058 0.000 1.375 406 H HN 0.243 nan 8.280 nan 0.000 0.495 407 F N 0.086 119.988 119.950 -0.079 0.000 2.095 407 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 407 F C 2.562 178.272 175.800 -0.151 0.000 1.104 407 F CA 1.645 59.551 58.000 -0.157 0.000 1.232 407 F CB -0.957 37.960 39.000 -0.138 0.000 0.987 407 F HN 0.141 nan 8.300 nan 0.000 0.475 408 V N 1.016 120.820 119.914 -0.184 0.000 2.407 408 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 408 V C 2.216 178.134 176.094 -0.293 0.000 1.055 408 V CA 2.475 64.562 62.300 -0.354 0.000 1.049 408 V CB -0.637 30.910 31.823 -0.459 0.000 0.662 408 V HN 0.450 nan 8.190 nan 0.000 0.455 409 N N -0.216 118.389 118.700 -0.159 0.000 2.171 409 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 409 N C 1.826 177.302 175.510 -0.057 0.000 1.021 409 N CA 1.131 54.194 53.050 0.022 0.000 0.854 409 N CB -0.150 38.385 38.487 0.080 0.000 0.994 409 N HN 0.415 nan 8.380 nan 0.000 0.426 410 K N 0.563 120.840 120.400 -0.206 0.000 2.025 410 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 410 K C 1.960 178.501 176.600 -0.099 0.000 1.049 410 K CA 0.659 56.846 56.287 -0.167 0.000 0.933 410 K CB -0.831 31.499 32.500 -0.284 0.000 0.714 410 K HN 0.272 nan 8.250 nan 0.000 0.438 411 Y N 2.441 122.460 120.300 -0.468 0.000 2.128 411 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 411 Y C 2.183 178.051 175.900 -0.053 0.000 1.154 411 Y CA 1.997 59.815 58.100 -0.470 0.000 1.149 411 Y CB -0.443 37.420 38.460 -0.995 0.000 0.976 411 Y HN 0.035 nan 8.280 nan 0.000 0.505 412 T N 1.048 115.623 114.554 0.035 0.000 2.897 412 T HA -0.158 4.192 4.350 -0.000 0.000 0.271 412 T C 1.696 176.391 174.700 -0.009 0.000 1.084 412 T CA 1.311 63.469 62.100 0.096 0.000 1.123 412 T CB -0.132 68.899 68.868 0.272 0.000 0.865 412 T HN 0.297 nan 8.240 nan 0.000 0.496 413 K N 0.238 120.596 120.400 -0.070 0.000 2.209 413 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 413 K C 1.241 177.581 176.600 -0.434 0.000 1.048 413 K CA 1.125 57.256 56.287 -0.260 0.000 0.940 413 K CB -0.173 32.112 32.500 -0.360 0.000 0.729 413 K HN 0.436 nan 8.250 nan 0.000 0.451 414 F N -0.093 119.793 119.950 -0.108 0.000 2.740 414 F HA 0.222 4.749 4.527 -0.000 0.000 0.304 414 F C 1.619 177.292 175.800 -0.211 0.000 1.098 414 F CA -0.376 57.523 58.000 -0.167 0.000 1.258 414 F CB -0.129 38.727 39.000 -0.239 0.000 1.061 414 F HN -0.102 nan 8.300 nan 0.000 0.598 415 G N -0.096 108.621 108.800 -0.137 0.000 2.631 415 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.271 415 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.271 415 G C 0.383 175.321 174.900 0.063 0.000 1.302 415 G CA -0.274 44.754 45.100 -0.120 0.000 1.002 415 G HN 0.284 nan 8.290 nan 0.000 0.519 416 N N -0.333 118.461 118.700 0.157 0.000 2.338 416 N HA 0.312 5.052 4.740 -0.000 0.000 0.251 416 N C 0.197 175.790 175.510 0.137 0.000 1.199 416 N CA 0.461 53.581 53.050 0.118 0.000 0.879 416 N CB 0.297 38.845 38.487 0.102 0.000 1.159 416 N HN 0.930 nan 8.380 nan 0.000 0.514 417 G N 0.480 109.372 108.800 0.154 0.000 2.350 417 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.274 417 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.274 417 G C -1.303 173.658 174.900 0.101 0.000 1.621 417 G CA -0.777 44.378 45.100 0.090 0.000 0.935 417 G HN 0.025 nan 8.290 nan 0.000 0.694 418 T N 1.785 116.279 114.554 -0.099 0.000 2.879 418 T HA 0.648 4.998 4.350 -0.000 0.000 0.290 418 T C -1.207 173.291 174.700 -0.336 0.000 0.993 418 T CA -0.320 61.739 62.100 -0.068 0.000 0.975 418 T CB 1.124 70.041 68.868 0.080 0.000 0.981 418 T HN 0.434 nan 8.240 nan 0.000 0.439 419 Y N 2.334 122.561 120.300 -0.123 0.000 2.350 419 Y HA 0.680 5.230 4.550 -0.000 0.000 0.338 419 Y C -0.390 175.554 175.900 0.073 0.000 0.961 419 Y CA -1.183 56.786 58.100 -0.217 0.000 1.100 419 Y CB 1.493 39.349 38.460 -1.007 0.000 1.179 419 Y HN 0.436 nan 8.280 nan 0.000 0.454 420 L N 5.816 127.413 121.223 0.623 0.000 2.346 420 L HA 0.640 4.980 4.340 -0.000 0.000 0.276 420 L C -1.290 176.047 176.870 0.778 0.000 1.006 420 L CA -1.053 54.095 54.840 0.513 0.000 0.817 420 L CB 0.877 43.096 42.059 0.268 0.000 1.272 420 L HN 0.539 nan 8.230 nan 0.000 0.421 421 Y N 3.016 123.640 120.300 0.540 0.000 2.605 421 Y HA 0.730 5.280 4.550 -0.000 0.000 0.343 421 Y C -1.770 174.401 175.900 0.451 0.000 1.036 421 Y CA -2.044 56.287 58.100 0.386 0.000 1.065 421 Y CB 1.328 39.942 38.460 0.257 0.000 1.288 421 Y HN 0.528 nan 8.280 nan 0.000 0.481 422 F N 4.159 124.426 119.950 0.528 0.000 2.646 422 F HA 0.443 4.970 4.527 -0.000 0.000 0.364 422 F C -1.795 174.296 175.800 0.484 0.000 1.137 422 F CA -1.824 56.424 58.000 0.413 0.000 1.085 422 F CB 0.558 39.794 39.000 0.393 0.000 1.331 422 F HN 0.569 nan 8.300 nan 0.000 0.472 423 F N 7.906 127.920 119.950 0.108 0.000 2.444 423 F HA 0.275 4.802 4.527 -0.000 0.000 0.360 423 F C 0.318 175.962 175.800 -0.261 0.000 1.106 423 F CA -0.066 57.939 58.000 0.009 0.000 1.170 423 F CB 0.495 39.569 39.000 0.124 0.000 1.113 423 F HN 0.551 nan 8.300 nan 0.000 0.521 424 N N 3.782 122.119 118.700 -0.605 0.000 2.588 424 N HA 0.066 4.806 4.740 -0.000 0.000 0.298 424 N C -1.315 173.964 175.510 -0.386 0.000 1.718 424 N CA -0.511 52.296 53.050 -0.405 0.000 0.888 424 N CB -0.639 37.779 38.487 -0.115 0.000 1.389 424 N HN 0.656 nan 8.380 nan 0.000 0.491 425 H N 0.573 119.117 119.070 -0.876 0.000 2.519 425 H HA 0.507 5.063 4.556 -0.000 0.000 0.316 425 H C -0.383 174.804 175.328 -0.234 0.000 1.065 425 H CA -0.600 55.121 56.048 -0.545 0.000 1.264 425 H CB 1.045 30.381 29.762 -0.709 0.000 1.413 425 H HN 0.170 nan 8.280 nan 0.000 0.465 426 R N 4.315 124.428 120.500 -0.644 0.000 2.196 426 R HA 0.512 4.851 4.340 -0.000 0.000 0.340 426 R C -0.673 175.301 176.300 -0.543 0.000 1.043 426 R CA -0.290 55.583 56.100 -0.378 0.000 0.883 426 R CB 0.163 30.337 30.300 -0.210 0.000 1.078 426 R HN 0.754 nan 8.270 nan 0.000 0.462 427 A N 3.425 126.183 122.820 -0.102 0.000 2.531 427 A HA 0.065 4.385 4.320 -0.000 0.000 0.236 427 A C 1.314 178.959 177.584 0.101 0.000 1.062 427 A CA 0.490 52.658 52.037 0.219 0.000 0.760 427 A CB 0.120 19.421 19.000 0.502 0.000 0.995 427 A HN 1.081 nan 8.150 nan 0.000 0.501 428 S N 1.588 117.401 115.700 0.189 0.000 2.399 428 S HA -0.195 4.275 4.470 -0.000 0.000 0.231 428 S C 0.985 175.582 174.600 -0.006 0.000 1.022 428 S CA 1.362 59.612 58.200 0.084 0.000 0.983 428 S CB -0.505 62.769 63.200 0.123 0.000 0.803 428 S HN 0.963 nan 8.310 nan 0.000 0.480 429 N N 0.735 119.397 118.700 -0.064 0.000 2.279 429 N HA 0.255 4.995 4.740 -0.000 0.000 0.226 429 N C -0.309 175.130 175.510 -0.119 0.000 1.126 429 N CA -0.441 52.518 53.050 -0.153 0.000 0.846 429 N CB -0.592 37.693 38.487 -0.337 0.000 1.050 429 N HN 0.363 nan 8.380 nan 0.000 0.502 430 L N 1.360 122.550 121.223 -0.055 0.000 2.455 430 L HA 0.028 4.368 4.340 -0.000 0.000 0.272 430 L C 1.291 178.103 176.870 -0.096 0.000 1.174 430 L CA 0.008 54.813 54.840 -0.058 0.000 0.869 430 L CB 1.044 43.074 42.059 -0.048 0.000 1.130 430 L HN 0.220 nan 8.230 nan 0.000 0.474 431 V N 0.820 120.633 119.914 -0.170 0.000 3.541 431 V HA 0.117 4.237 4.120 -0.000 0.000 0.267 431 V C 0.477 176.467 176.094 -0.174 0.000 1.213 431 V CA -0.380 61.792 62.300 -0.213 0.000 1.149 431 V CB -1.313 30.270 31.823 -0.400 0.000 0.822 431 V HN 0.638 nan 8.190 nan 0.000 0.462 432 W N 1.704 122.942 121.300 -0.102 0.000 2.303 432 W HA 0.551 5.211 4.660 -0.000 0.000 0.334 432 W C -1.852 174.524 176.519 -0.238 0.000 1.197 432 W CA -2.340 54.897 57.345 -0.180 0.000 1.262 432 W CB 0.160 29.392 29.460 -0.381 0.000 1.153 432 W HN -0.049 nan 8.180 nan 0.000 0.596 433 P HA -0.048 nan 4.420 nan 0.000 0.269 433 P C 0.278 177.469 177.300 -0.180 0.000 1.209 433 P CA 0.389 63.437 63.100 -0.087 0.000 0.776 433 P CB 1.009 32.686 31.700 -0.038 0.000 0.876 434 E N 1.807 121.980 120.200 -0.044 0.000 2.171 434 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 434 E C 1.777 178.389 176.600 0.019 0.000 0.997 434 E CA 1.393 57.783 56.400 -0.016 0.000 0.810 434 E CB -0.223 29.504 29.700 0.044 0.000 0.738 434 E HN 0.703 nan 8.360 nan 0.000 0.467 435 W N 0.068 121.400 121.300 0.053 0.000 2.364 435 W HA -0.144 4.516 4.660 -0.000 0.000 0.281 435 W C 1.455 178.019 176.519 0.074 0.000 1.219 435 W CA 0.476 57.864 57.345 0.071 0.000 1.220 435 W CB -0.728 28.788 29.460 0.092 0.000 1.127 435 W HN -0.003 nan 8.180 nan 0.000 0.556 436 M N 1.362 120.561 119.600 -0.668 0.000 2.476 436 M HA 0.082 4.562 4.480 -0.000 0.000 0.262 436 M C 1.797 177.943 176.300 -0.256 0.000 1.079 436 M CA 1.725 56.586 55.300 -0.731 0.000 1.104 436 M CB -0.816 31.136 32.600 -1.080 0.000 1.409 436 M HN 0.197 nan 8.290 nan 0.000 0.467 437 G N 0.409 109.127 108.800 -0.138 0.000 2.574 437 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.286 437 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.286 437 G C -0.155 174.711 174.900 -0.057 0.000 1.212 437 G CA -0.193 44.880 45.100 -0.045 0.000 0.979 437 G HN 0.214 nan 8.290 nan 0.000 0.557 438 V N 2.063 121.985 119.914 0.014 0.000 2.276 438 V HA 0.356 4.476 4.120 -0.000 0.000 0.249 438 V C 1.181 177.355 176.094 0.133 0.000 1.160 438 V CA 0.004 62.355 62.300 0.084 0.000 1.042 438 V CB -0.347 31.530 31.823 0.091 0.000 1.224 438 V HN 0.524 nan 8.190 nan 0.000 0.496 439 I N 2.636 123.251 120.570 0.076 0.000 2.892 439 I HA 0.042 4.212 4.170 -0.000 0.000 0.287 439 I C 0.998 177.343 176.117 0.380 0.000 1.205 439 I CA -0.204 61.168 61.300 0.119 0.000 1.409 439 I CB 0.103 37.990 38.000 -0.187 0.000 1.367 439 I HN 0.573 nan 8.210 nan 0.000 0.597 440 H N 3.932 123.167 119.070 0.275 0.000 3.070 440 H HA 0.216 4.772 4.556 -0.000 0.000 0.313 440 H C 1.019 176.476 175.328 0.216 0.000 0.997 440 H CA 1.121 57.321 56.048 0.254 0.000 1.438 440 H CB 0.272 30.195 29.762 0.268 0.000 1.455 440 H HN 0.751 nan 8.280 nan 0.000 0.575 441 G N 3.487 112.175 108.800 -0.187 0.000 2.217 441 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.246 441 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.246 441 G C 0.642 175.529 174.900 -0.022 0.000 0.990 441 G CA 0.453 45.435 45.100 -0.197 0.000 0.627 441 G HN 0.651 nan 8.290 nan 0.000 0.522 442 Y N 1.686 122.118 120.300 0.220 0.000 2.502 442 Y HA 0.214 4.764 4.550 -0.000 0.000 0.295 442 Y C 2.379 178.379 175.900 0.167 0.000 1.193 442 Y CA 1.130 59.403 58.100 0.289 0.000 1.295 442 Y CB 0.357 39.016 38.460 0.332 0.000 1.059 442 Y HN 0.535 nan 8.280 nan 0.000 0.514 443 E N 0.076 120.214 120.200 -0.104 0.000 2.400 443 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 443 E C 1.632 178.151 176.600 -0.135 0.000 1.012 443 E CA 0.561 56.568 56.400 -0.655 0.000 0.875 443 E CB -0.428 28.551 29.700 -1.201 0.000 0.859 443 E HN 0.530 nan 8.360 nan 0.000 0.498 444 I N 2.721 123.321 120.570 0.051 0.000 2.163 444 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 444 I C 2.616 178.813 176.117 0.133 0.000 1.085 444 I CA 2.152 63.548 61.300 0.161 0.000 1.347 444 I CB -0.495 37.664 38.000 0.265 0.000 1.044 444 I HN 0.213 nan 8.210 nan 0.000 0.408 445 E N 0.786 121.020 120.200 0.056 0.000 2.265 445 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 445 E C 1.966 178.423 176.600 -0.240 0.000 0.996 445 E CA 1.368 57.714 56.400 -0.090 0.000 0.832 445 E CB -0.427 29.217 29.700 -0.093 0.000 0.756 445 E HN 0.443 nan 8.360 nan 0.000 0.491 446 F N 1.102 120.968 119.950 -0.141 0.000 2.219 446 F HA -0.024 4.503 4.527 -0.000 0.000 0.294 446 F C 2.388 178.021 175.800 -0.279 0.000 1.086 446 F CA 0.516 58.393 58.000 -0.205 0.000 1.330 446 F CB -0.218 38.711 39.000 -0.117 0.000 1.047 446 F HN -0.150 nan 8.300 nan 0.000 0.495 447 V N -0.798 119.024 119.914 -0.153 0.000 2.407 447 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 447 V C 1.651 177.523 176.094 -0.370 0.000 1.055 447 V CA 1.689 63.731 62.300 -0.430 0.000 1.049 447 V CB -0.678 30.905 31.823 -0.399 0.000 0.662 447 V HN 0.214 nan 8.190 nan 0.000 0.455 448 F N 0.286 120.095 119.950 -0.235 0.000 2.732 448 F HA 0.413 4.940 4.527 -0.000 0.000 0.303 448 F C 1.813 177.521 175.800 -0.153 0.000 1.110 448 F CA 0.640 58.529 58.000 -0.185 0.000 1.355 448 F CB -0.177 38.701 39.000 -0.203 0.000 1.081 448 F HN 0.254 nan 8.300 nan 0.000 0.565 449 G N -0.036 108.688 108.800 -0.127 0.000 2.162 449 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 449 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 449 G C 1.281 175.898 174.900 -0.470 0.000 0.976 449 G CA 0.433 45.395 45.100 -0.230 0.000 0.655 449 G HN 0.288 nan 8.290 nan 0.000 0.533 450 L N 0.314 121.241 121.223 -0.493 0.000 2.051 450 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 450 L C 0.361 176.818 176.870 -0.688 0.000 1.076 450 L CA 2.902 57.389 54.840 -0.589 0.000 0.758 450 L CB -1.968 39.861 42.059 -0.383 0.000 0.890 450 L HN 0.231 nan 8.230 nan 0.000 0.433 451 P HA -0.136 nan 4.420 nan 0.000 0.223 451 P C 1.672 178.719 177.300 -0.422 0.000 1.144 451 P CA 0.853 63.307 63.100 -1.077 0.000 0.783 451 P CB 0.050 31.049 31.700 -1.169 0.000 0.771 452 L N -1.639 119.343 121.223 -0.402 0.000 2.395 452 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 452 L C 1.159 177.898 176.870 -0.218 0.000 1.130 452 L CA 0.754 55.443 54.840 -0.251 0.000 0.826 452 L CB -0.785 41.151 42.059 -0.205 0.000 0.941 452 L HN -0.103 nan 8.230 nan 0.000 0.451 453 V N -0.717 119.021 119.914 -0.294 0.000 2.389 453 V HA 0.197 4.317 4.120 -0.000 0.000 0.264 453 V C 1.492 177.540 176.094 -0.076 0.000 1.049 453 V CA -0.543 61.643 62.300 -0.190 0.000 0.932 453 V CB 1.097 32.768 31.823 -0.252 0.000 1.011 453 V HN 0.119 nan 8.190 nan 0.000 0.475 454 K N 4.394 124.764 120.400 -0.050 0.000 2.113 454 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 454 K C 1.985 178.570 176.600 -0.026 0.000 1.047 454 K CA 2.098 58.370 56.287 -0.025 0.000 0.928 454 K CB -0.211 32.275 32.500 -0.023 0.000 0.716 454 K HN 0.952 nan 8.250 nan 0.000 0.446 455 E N 0.355 120.534 120.200 -0.034 0.000 2.333 455 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 455 E C 1.625 178.190 176.600 -0.058 0.000 1.007 455 E CA 0.711 57.086 56.400 -0.042 0.000 0.845 455 E CB -0.354 29.323 29.700 -0.038 0.000 0.766 455 E HN 0.329 nan 8.360 nan 0.000 0.507 456 L N 0.439 121.633 121.223 -0.048 0.000 2.554 456 L HA 0.042 4.382 4.340 -0.000 0.000 0.226 456 L C -0.007 176.753 176.870 -0.183 0.000 1.137 456 L CA 0.238 55.026 54.840 -0.086 0.000 0.863 456 L CB -0.808 41.270 42.059 0.033 0.000 0.985 456 L HN 0.143 nan 8.230 nan 0.000 0.451 457 N N -1.331 117.312 118.700 -0.095 0.000 2.740 457 N HA -0.244 4.496 4.740 -0.000 0.000 0.248 457 N C -0.586 174.844 175.510 -0.133 0.000 1.062 457 N CA 0.146 53.133 53.050 -0.104 0.000 0.704 457 N CB -1.065 37.347 38.487 -0.125 0.000 0.968 457 N HN 0.274 nan 8.380 nan 0.000 0.547 458 Y N 0.469 120.732 120.300 -0.061 0.000 2.298 458 Y HA 0.230 4.780 4.550 -0.000 0.000 0.329 458 Y C 1.727 177.621 175.900 -0.009 0.000 1.293 458 Y CA -0.079 58.001 58.100 -0.035 0.000 1.388 458 Y CB 0.643 39.047 38.460 -0.094 0.000 1.309 458 Y HN 0.033 nan 8.280 nan 0.000 0.544 459 T N -1.753 112.929 114.554 0.215 0.000 2.828 459 T HA 0.390 4.740 4.350 -0.000 0.000 0.290 459 T C 1.151 175.910 174.700 0.098 0.000 1.019 459 T CA -0.294 61.883 62.100 0.128 0.000 1.031 459 T CB 1.211 70.157 68.868 0.129 0.000 1.001 459 T HN 0.763 nan 8.240 nan 0.000 0.531 460 A N 0.635 123.490 122.820 0.058 0.000 1.972 460 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 460 A C 2.141 179.741 177.584 0.027 0.000 1.169 460 A CA 1.533 53.589 52.037 0.031 0.000 0.635 460 A CB -0.989 18.023 19.000 0.019 0.000 0.810 460 A HN 0.929 nan 8.150 nan 0.000 0.446 461 E N 0.102 120.324 120.200 0.037 0.000 2.150 461 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 461 E C 1.864 178.471 176.600 0.011 0.000 0.985 461 E CA 1.362 57.771 56.400 0.014 0.000 0.814 461 E CB -0.167 29.542 29.700 0.013 0.000 0.752 461 E HN 0.760 nan 8.360 nan 0.000 0.466 462 E N 0.403 120.650 120.200 0.078 0.000 2.107 462 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 462 E C 1.994 178.643 176.600 0.082 0.000 0.982 462 E CA 0.809 57.318 56.400 0.181 0.000 0.809 462 E CB 0.039 29.953 29.700 0.356 0.000 0.756 462 E HN 0.300 nan 8.360 nan 0.000 0.459 463 E N 0.805 121.000 120.200 -0.008 0.000 2.077 463 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 463 E C 2.016 178.587 176.600 -0.047 0.000 0.989 463 E CA 1.023 57.375 56.400 -0.081 0.000 0.800 463 E CB -0.054 29.609 29.700 -0.062 0.000 0.746 463 E HN 0.206 nan 8.360 nan 0.000 0.452 464 A N 1.104 123.910 122.820 -0.023 0.000 1.933 464 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 464 A C 2.143 179.710 177.584 -0.029 0.000 1.175 464 A CA 1.340 53.358 52.037 -0.032 0.000 0.628 464 A CB -0.631 18.352 19.000 -0.028 0.000 0.814 464 A HN 0.406 nan 8.150 nan 0.000 0.444 465 L N -0.345 120.879 121.223 0.000 0.000 2.093 465 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 465 L C 2.542 179.458 176.870 0.077 0.000 1.085 465 L CA 2.543 57.386 54.840 0.005 0.000 0.755 465 L CB -0.752 41.267 42.059 -0.066 0.000 0.904 465 L HN 0.330 nan 8.230 nan 0.000 0.435 466 S N -0.665 115.124 115.700 0.148 0.000 2.368 466 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 466 S C 2.198 176.768 174.600 -0.050 0.000 1.030 466 S CA 1.273 59.512 58.200 0.066 0.000 0.999 466 S CB -0.217 62.903 63.200 -0.133 0.000 0.844 466 S HN 0.540 nan 8.310 nan 0.000 0.459 467 R N 0.861 121.324 120.500 -0.062 0.000 2.081 467 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 467 R C 2.664 178.913 176.300 -0.086 0.000 1.131 467 R CA 1.791 57.848 56.100 -0.073 0.000 0.960 467 R CB -0.348 29.906 30.300 -0.077 0.000 0.856 467 R HN 0.596 nan 8.270 nan 0.000 0.436 468 R N 0.392 120.817 120.500 -0.125 0.000 2.148 468 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 468 R C 2.000 178.123 176.300 -0.295 0.000 1.088 468 R CA 1.188 57.128 56.100 -0.267 0.000 0.985 468 R CB -0.436 29.675 30.300 -0.315 0.000 0.880 468 R HN 0.225 nan 8.270 nan 0.000 0.451 469 I N 1.156 121.669 120.570 -0.094 0.000 2.286 469 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 469 I C 2.551 178.635 176.117 -0.056 0.000 1.104 469 I CA 1.316 62.594 61.300 -0.038 0.000 1.397 469 I CB -0.186 37.658 38.000 -0.260 0.000 1.072 469 I HN 0.175 nan 8.210 nan 0.000 0.417 470 M N -0.495 119.044 119.600 -0.102 0.000 2.159 470 M HA -0.248 4.232 4.480 -0.000 0.000 0.263 470 M C 2.381 178.747 176.300 0.111 0.000 1.063 470 M CA 1.723 56.991 55.300 -0.054 0.000 1.110 470 M CB -0.631 31.926 32.600 -0.071 0.000 1.374 470 M HN 0.257 nan 8.290 nan 0.000 0.411 471 H N -0.495 118.572 119.070 -0.004 0.000 2.395 471 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 471 H C 1.552 176.985 175.328 0.175 0.000 1.070 471 H CA 1.848 57.908 56.048 0.020 0.000 1.356 471 H CB 0.031 29.745 29.762 -0.081 0.000 1.401 471 H HN 0.251 nan 8.280 nan 0.000 0.524 472 Y N -0.688 119.782 120.300 0.283 0.000 2.114 472 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 472 Y C 2.547 178.635 175.900 0.313 0.000 1.143 472 Y CA 1.131 59.434 58.100 0.338 0.000 1.135 472 Y CB -1.072 37.790 38.460 0.671 0.000 0.980 472 Y HN 0.370 nan 8.280 nan 0.000 0.499 473 W N -0.511 120.892 121.300 0.171 0.000 2.335 473 W HA -0.244 4.416 4.660 -0.000 0.000 0.311 473 W C 2.556 179.068 176.519 -0.012 0.000 1.213 473 W CA 1.246 58.616 57.345 0.041 0.000 1.274 473 W CB -0.487 28.936 29.460 -0.061 0.000 1.148 473 W HN 0.079 nan 8.180 nan 0.000 0.498 474 A N 0.006 122.930 122.820 0.173 0.000 1.872 474 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 474 A C 1.830 179.377 177.584 -0.061 0.000 1.187 474 A CA 2.172 54.217 52.037 0.012 0.000 0.614 474 A CB -1.274 17.719 19.000 -0.011 0.000 0.826 474 A HN 0.173 nan 8.150 nan 0.000 0.442 475 T N -0.484 113.984 114.554 -0.142 0.000 2.759 475 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 475 T C 1.596 176.227 174.700 -0.115 0.000 1.042 475 T CA 1.654 63.641 62.100 -0.189 0.000 1.140 475 T CB -0.422 68.273 68.868 -0.288 0.000 0.864 475 T HN 0.486 nan 8.240 nan 0.000 0.455 476 F N 2.304 122.138 119.950 -0.194 0.000 2.134 476 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 476 F C 2.419 178.115 175.800 -0.173 0.000 1.097 476 F CA 1.014 58.865 58.000 -0.249 0.000 1.264 476 F CB -0.710 38.078 39.000 -0.354 0.000 1.001 476 F HN 0.141 nan 8.300 nan 0.000 0.479 477 A N 0.269 122.973 122.820 -0.193 0.000 1.902 477 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 477 A C 2.244 179.682 177.584 -0.245 0.000 1.181 477 A CA 1.975 53.869 52.037 -0.239 0.000 0.623 477 A CB -0.685 18.259 19.000 -0.092 0.000 0.818 477 A HN 0.492 nan 8.150 nan 0.000 0.443 478 K N -1.166 119.124 120.400 -0.183 0.000 2.062 478 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 478 K C 1.965 178.465 176.600 -0.166 0.000 1.051 478 K CA 1.783 57.986 56.287 -0.140 0.000 0.941 478 K CB -0.110 32.330 32.500 -0.101 0.000 0.719 478 K HN 0.705 nan 8.250 nan 0.000 0.440 479 T N -4.878 109.546 114.554 -0.216 0.000 2.959 479 T HA 0.242 4.592 4.350 -0.000 0.000 0.254 479 T C 1.229 175.779 174.700 -0.249 0.000 1.003 479 T CA 0.374 62.361 62.100 -0.189 0.000 0.950 479 T CB 1.081 69.868 68.868 -0.134 0.000 1.090 479 T HN 0.270 nan 8.240 nan 0.000 0.503 480 G N 1.498 110.013 108.800 -0.475 0.000 2.141 480 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.242 480 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.242 480 G C -0.210 174.569 174.900 -0.203 0.000 0.982 480 G CA 0.012 44.773 45.100 -0.565 0.000 0.662 480 G HN 0.827 nan 8.290 nan 0.000 0.527 481 N N -0.182 118.400 118.700 -0.197 0.000 2.454 481 N HA 0.423 5.163 4.740 -0.000 0.000 0.291 481 N C -1.510 173.839 175.510 -0.269 0.000 1.079 481 N CA -1.461 51.447 53.050 -0.237 0.000 0.893 481 N CB 2.498 40.928 38.487 -0.095 0.000 1.512 481 N HN -0.063 nan 8.380 nan 0.000 0.497 482 P HA -0.071 nan 4.420 nan 0.000 0.222 482 P C -0.412 176.913 177.300 0.041 0.000 1.147 482 P CA 0.769 63.724 63.100 -0.241 0.000 0.790 482 P CB 0.353 31.653 31.700 -0.668 0.000 0.780 483 N N 1.327 120.003 118.700 -0.040 0.000 2.499 483 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 483 N C -0.070 175.472 175.510 0.053 0.000 1.098 483 N CA -0.082 53.035 53.050 0.112 0.000 0.979 483 N CB 1.082 39.636 38.487 0.112 0.000 1.121 483 N HN 0.111 nan 8.380 nan 0.000 0.466 484 E N 2.582 122.840 120.200 0.097 0.000 2.129 484 E HA 0.189 4.539 4.350 -0.000 0.000 0.283 484 E C -2.158 174.425 176.600 -0.029 0.000 1.080 484 E CA -1.818 54.605 56.400 0.038 0.000 0.867 484 E CB 0.492 30.268 29.700 0.126 0.000 1.056 484 E HN 0.269 nan 8.360 nan 0.000 0.404 485 P HA -0.123 nan 4.420 nan 0.000 0.266 485 P C -1.196 175.831 177.300 -0.455 0.000 1.180 485 P CA 0.343 63.280 63.100 -0.273 0.000 0.765 485 P CB 0.082 31.562 31.700 -0.366 0.000 0.806 486 H N -0.916 118.192 119.070 0.065 0.000 2.262 486 H HA -0.022 4.534 4.556 -0.000 0.000 0.303 486 H C -0.398 174.967 175.328 0.061 0.000 0.860 486 H CA 0.575 56.657 56.048 0.058 0.000 1.000 486 H CB -2.246 27.543 29.762 0.045 0.000 1.584 486 H HN 0.345 nan 8.280 nan 0.000 0.304 487 S N 0.942 116.722 115.700 0.134 0.000 2.546 487 S HA 0.369 4.839 4.470 -0.000 0.000 0.274 487 S C 0.799 175.460 174.600 0.102 0.000 1.121 487 S CA -0.841 57.426 58.200 0.112 0.000 0.887 487 S CB 1.966 65.224 63.200 0.096 0.000 1.094 487 S HN 0.481 nan 8.310 nan 0.000 0.474 488 Q N 1.435 121.285 119.800 0.084 0.000 2.364 488 Q HA 0.163 4.503 4.340 -0.000 0.000 0.207 488 Q C -0.029 176.015 176.000 0.073 0.000 0.970 488 Q CA 1.141 56.986 55.803 0.071 0.000 0.888 488 Q CB -0.090 28.680 28.738 0.053 0.000 0.951 488 Q HN 0.694 nan 8.270 nan 0.000 0.469 489 E N -0.365 119.886 120.200 0.085 0.000 2.374 489 E HA 0.204 4.554 4.350 -0.000 0.000 0.260 489 E C -0.333 176.341 176.600 0.123 0.000 1.101 489 E CA -0.237 56.221 56.400 0.096 0.000 0.907 489 E CB 0.813 30.575 29.700 0.102 0.000 1.014 489 E HN -0.031 nan 8.360 nan 0.000 0.427 490 S N 1.715 117.487 115.700 0.121 0.000 2.558 490 S HA -0.020 4.450 4.470 -0.000 0.000 0.287 490 S C -0.068 174.645 174.600 0.187 0.000 1.321 490 S CA 0.226 58.502 58.200 0.128 0.000 1.048 490 S CB 0.262 63.524 63.200 0.104 0.000 0.844 490 S HN 0.260 nan 8.310 nan 0.000 0.512 491 K N 1.612 122.118 120.400 0.176 0.000 2.206 491 K HA 0.144 4.464 4.320 -0.000 0.000 0.264 491 K C -0.768 176.005 176.600 0.288 0.000 0.967 491 K CA -0.547 55.879 56.287 0.232 0.000 0.844 491 K CB 1.073 33.687 32.500 0.190 0.000 1.099 491 K HN 0.627 nan 8.250 nan 0.000 0.441 492 W N 7.166 128.529 121.300 0.105 0.000 2.546 492 W HA 0.139 4.798 4.660 -0.000 0.000 0.323 492 W C -2.378 174.274 176.519 0.223 0.000 1.272 492 W CA -2.383 55.021 57.345 0.098 0.000 1.404 492 W CB -0.223 29.201 29.460 -0.060 0.000 1.411 492 W HN 0.391 nan 8.180 nan 0.000 0.480 493 P HA 0.114 nan 4.420 nan 0.000 0.274 493 P C -0.209 177.283 177.300 0.319 0.000 1.231 493 P CA -0.227 63.091 63.100 0.364 0.000 0.790 493 P CB 1.107 32.939 31.700 0.219 0.000 0.951 494 L N 1.730 122.990 121.223 0.060 0.000 2.456 494 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 494 L C 0.793 177.639 176.870 -0.040 0.000 1.189 494 L CA -0.394 54.281 54.840 -0.275 0.000 0.846 494 L CB -0.198 41.719 42.059 -0.236 0.000 1.111 494 L HN 0.342 nan 8.230 nan 0.000 0.475 495 F N 2.929 122.779 119.950 -0.167 0.000 2.445 495 F HA 0.322 4.849 4.527 -0.000 0.000 0.359 495 F C 0.481 176.257 175.800 -0.040 0.000 1.101 495 F CA -0.548 57.449 58.000 -0.005 0.000 1.177 495 F CB 0.769 39.793 39.000 0.041 0.000 1.110 495 F HN 0.467 nan 8.300 nan 0.000 0.522 496 T N 1.183 115.425 114.554 -0.520 0.000 2.912 496 T HA 0.195 4.545 4.350 -0.000 0.000 0.288 496 T C 0.935 175.312 174.700 -0.537 0.000 1.030 496 T CA -0.071 61.823 62.100 -0.343 0.000 1.020 496 T CB 1.500 70.247 68.868 -0.201 0.000 1.056 496 T HN 0.691 nan 8.240 nan 0.000 0.480 497 T N -0.003 114.413 114.554 -0.231 0.000 2.849 497 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 497 T C 1.539 176.138 174.700 -0.168 0.000 1.066 497 T CA 1.702 63.712 62.100 -0.150 0.000 1.130 497 T CB -0.480 68.357 68.868 -0.052 0.000 0.864 497 T HN 0.709 nan 8.240 nan 0.000 0.481 498 K N -0.359 119.942 120.400 -0.165 0.000 2.029 498 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 498 K C 2.276 178.795 176.600 -0.135 0.000 1.042 498 K CA 1.291 57.508 56.287 -0.117 0.000 0.949 498 K CB -0.068 32.381 32.500 -0.086 0.000 0.740 498 K HN 0.252 nan 8.250 nan 0.000 0.442 499 E N 0.637 120.731 120.200 -0.176 0.000 2.230 499 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 499 E C -0.264 176.219 176.600 -0.197 0.000 0.987 499 E CA 0.316 56.629 56.400 -0.146 0.000 0.841 499 E CB 0.328 29.962 29.700 -0.110 0.000 0.783 499 E HN 0.216 nan 8.360 nan 0.000 0.481 500 Q N 0.205 119.712 119.800 -0.489 0.000 2.434 500 Q HA -0.247 4.093 4.340 -0.000 0.000 0.299 500 Q C -0.813 175.158 176.000 -0.049 0.000 1.286 500 Q CA 0.571 55.949 55.803 -0.709 0.000 0.872 500 Q CB -1.436 27.185 28.738 -0.195 0.000 1.193 500 Q HN 0.176 nan 8.270 nan 0.000 0.466 501 K N 0.483 120.874 120.400 -0.016 0.000 2.258 501 K HA 0.520 4.840 4.320 -0.000 0.000 0.264 501 K C 0.019 176.933 176.600 0.523 0.000 1.007 501 K CA 0.221 56.632 56.287 0.208 0.000 0.941 501 K CB 0.436 32.993 32.500 0.094 0.000 0.966 501 K HN 0.233 nan 8.250 nan 0.000 0.480 502 F N -0.188 119.931 119.950 0.281 0.000 2.713 502 F HA 0.579 5.106 4.527 -0.000 0.000 0.311 502 F C -1.146 174.762 175.800 0.180 0.000 1.141 502 F CA -1.497 56.696 58.000 0.322 0.000 0.939 502 F CB 0.802 40.001 39.000 0.330 0.000 1.325 502 F HN 0.416 nan 8.300 nan 0.000 0.453 503 I N -0.551 120.088 120.570 0.115 0.000 2.846 503 I HA 0.662 4.832 4.170 -0.000 0.000 0.307 503 I C -1.180 175.021 176.117 0.140 0.000 1.053 503 I CA -0.815 60.405 61.300 -0.133 0.000 1.050 503 I CB 2.027 39.750 38.000 -0.463 0.000 1.239 503 I HN 0.462 nan 8.210 nan 0.000 0.439 504 D N 3.557 124.039 120.400 0.137 0.000 2.283 504 D HA 0.478 5.118 4.640 -0.000 0.000 0.248 504 D C -0.878 175.485 176.300 0.105 0.000 1.072 504 D CA 0.059 54.230 54.000 0.285 0.000 0.929 504 D CB 2.115 43.092 40.800 0.294 0.000 1.182 504 D HN 0.264 nan 8.370 nan 0.000 0.433 505 L N 3.014 124.301 121.223 0.106 0.000 2.353 505 L HA 0.300 4.640 4.340 -0.000 0.000 0.270 505 L C -0.551 176.195 176.870 -0.207 0.000 1.003 505 L CA -0.424 54.418 54.840 0.004 0.000 0.862 505 L CB 0.074 42.215 42.059 0.137 0.000 1.221 505 L HN 0.467 nan 8.230 nan 0.000 0.430 506 N N -0.837 117.763 118.700 -0.166 0.000 3.364 506 N HA 0.306 5.046 4.740 -0.000 0.000 0.294 506 N C 0.433 175.830 175.510 -0.188 0.000 1.562 506 N CA -0.142 52.762 53.050 -0.244 0.000 0.862 506 N CB 0.372 38.782 38.487 -0.130 0.000 1.691 506 N HN 0.071 nan 8.380 nan 0.000 0.572 507 T N -3.420 111.010 114.554 -0.206 0.000 3.160 507 T HA 0.119 4.469 4.350 -0.000 0.000 0.257 507 T C -0.031 174.638 174.700 -0.052 0.000 1.147 507 T CA 0.551 62.561 62.100 -0.149 0.000 1.064 507 T CB -0.564 68.210 68.868 -0.157 0.000 0.949 507 T HN 0.512 nan 8.240 nan 0.000 0.526 508 E N 1.881 122.065 120.200 -0.027 0.000 2.250 508 E HA 0.398 4.748 4.350 -0.000 0.000 0.269 508 E C -2.596 174.005 176.600 0.002 0.000 1.018 508 E CA -2.654 53.746 56.400 0.000 0.000 0.873 508 E CB 0.478 30.189 29.700 0.018 0.000 1.134 508 E HN 0.148 nan 8.360 nan 0.000 0.403 509 P HA -0.096 nan 4.420 nan 0.000 0.267 509 P C -0.389 176.916 177.300 0.008 0.000 1.200 509 P CA 0.263 63.371 63.100 0.013 0.000 0.772 509 P CB 0.371 32.078 31.700 0.012 0.000 0.855 510 M N 2.957 122.567 119.600 0.016 0.000 2.240 510 M HA -0.042 4.438 4.480 -0.000 0.000 0.346 510 M C -0.468 175.799 176.300 -0.056 0.000 1.236 510 M CA 1.194 56.490 55.300 -0.008 0.000 0.986 510 M CB 0.003 32.614 32.600 0.018 0.000 1.786 510 M HN 0.194 nan 8.290 nan 0.000 0.457 511 K N 4.260 124.593 120.400 -0.112 0.000 2.397 511 K HA 0.569 4.889 4.320 -0.000 0.000 0.253 511 K C -1.532 174.812 176.600 -0.426 0.000 0.932 511 K CA -0.891 55.246 56.287 -0.250 0.000 0.795 511 K CB 2.442 34.799 32.500 -0.238 0.000 1.159 511 K HN 0.538 nan 8.250 nan 0.000 0.424 512 V N 3.995 123.626 119.914 -0.472 0.000 2.472 512 V HA 0.350 4.470 4.120 -0.000 0.000 0.290 512 V C -0.098 175.552 176.094 -0.740 0.000 1.037 512 V CA -0.600 61.421 62.300 -0.466 0.000 0.908 512 V CB 1.201 32.895 31.823 -0.214 0.000 0.985 512 V HN 0.725 nan 8.190 nan 0.000 0.454 513 H N 2.782 121.503 119.070 -0.582 0.000 2.906 513 H HA 0.648 5.204 4.556 -0.000 0.000 0.337 513 H C -1.075 173.986 175.328 -0.445 0.000 1.257 513 H CA -0.807 54.870 56.048 -0.618 0.000 1.192 513 H CB 2.268 31.435 29.762 -0.991 0.000 1.912 513 H HN 0.569 nan 8.280 nan 0.000 0.573 514 Q N 0.316 120.168 119.800 0.087 0.000 2.389 514 Q HA 0.373 4.713 4.340 -0.000 0.000 0.277 514 Q C -0.684 175.575 176.000 0.431 0.000 1.082 514 Q CA -0.916 55.048 55.803 0.268 0.000 0.810 514 Q CB 2.934 31.743 28.738 0.117 0.000 1.374 514 Q HN 0.478 nan 8.270 nan 0.000 0.422 515 R N 0.923 121.660 120.500 0.394 0.000 3.079 515 R HA -0.205 4.135 4.340 -0.000 0.000 0.254 515 R C -0.558 175.871 176.300 0.213 0.000 0.900 515 R CA -0.165 56.098 56.100 0.271 0.000 0.641 515 R CB -1.435 28.967 30.300 0.170 0.000 1.307 515 R HN 0.444 nan 8.270 nan 0.000 0.477 516 L N 2.444 123.679 121.223 0.019 0.000 2.660 516 L HA -0.034 4.306 4.340 -0.000 0.000 0.272 516 L C 0.861 177.660 176.870 -0.117 0.000 1.194 516 L CA 0.752 55.364 54.840 -0.381 0.000 0.945 516 L CB -0.198 41.336 42.059 -0.875 0.000 1.212 516 L HN 0.474 nan 8.230 nan 0.000 0.490 517 R N 2.269 122.725 120.500 -0.074 0.000 3.266 517 R HA -0.211 4.129 4.340 -0.000 0.000 0.245 517 R C 1.312 177.662 176.300 0.084 0.000 0.941 517 R CA 0.585 56.696 56.100 0.019 0.000 0.638 517 R CB -1.802 28.527 30.300 0.048 0.000 1.019 517 R HN 0.769 nan 8.270 nan 0.000 0.462 518 V N -2.791 117.173 119.914 0.084 0.000 2.282 518 V HA -0.371 3.749 4.120 -0.000 0.000 0.249 518 V C 2.291 178.454 176.094 0.115 0.000 1.057 518 V CA 2.195 64.559 62.300 0.108 0.000 1.032 518 V CB -0.533 31.348 31.823 0.097 0.000 0.645 518 V HN 0.360 nan 8.190 nan 0.000 0.447 519 Q N -0.136 119.713 119.800 0.083 0.000 1.985 519 Q HA -0.213 4.127 4.340 -0.000 0.000 0.207 519 Q C 2.187 178.249 176.000 0.104 0.000 0.996 519 Q CA 2.476 58.316 55.803 0.061 0.000 0.851 519 Q CB -0.482 28.262 28.738 0.009 0.000 0.921 519 Q HN 0.542 nan 8.270 nan 0.000 0.418 520 M N -0.952 118.730 119.600 0.136 0.000 2.159 520 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 520 M C 2.381 178.970 176.300 0.481 0.000 1.063 520 M CA 0.993 56.457 55.300 0.273 0.000 1.110 520 M CB -1.317 31.506 32.600 0.372 0.000 1.374 520 M HN 0.358 nan 8.290 nan 0.000 0.411 521 c N -0.608 118.214 118.600 0.370 0.000 2.448 521 c HA -0.019 4.551 4.570 -0.000 0.000 0.280 521 c C 2.918 177.187 174.090 0.298 0.000 1.398 521 c CA 0.177 56.732 56.329 0.375 0.000 1.774 521 c CB -0.863 41.798 42.510 0.251 0.000 1.888 521 c HN 0.320 nan 8.230 nan 0.000 0.519 522 V N 0.466 120.520 119.914 0.233 0.000 2.358 522 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 522 V C 2.058 178.277 176.094 0.209 0.000 1.047 522 V CA 2.137 64.549 62.300 0.185 0.000 1.035 522 V CB -0.758 31.147 31.823 0.136 0.000 0.658 522 V HN 0.553 nan 8.190 nan 0.000 0.452 523 F N -0.041 119.945 119.950 0.061 0.000 2.075 523 F HA -0.195 4.331 4.527 -0.000 0.000 0.297 523 F C 1.980 177.762 175.800 -0.029 0.000 1.113 523 F CA 1.727 59.714 58.000 -0.021 0.000 1.218 523 F CB -0.441 38.428 39.000 -0.219 0.000 0.984 523 F HN 0.174 nan 8.300 nan 0.000 0.472 524 W N 0.543 121.928 121.300 0.142 0.000 2.418 524 W HA -0.115 4.545 4.660 -0.000 0.000 0.292 524 W C 2.143 178.636 176.519 -0.044 0.000 1.213 524 W CA 0.905 58.260 57.345 0.015 0.000 1.283 524 W CB -0.503 29.076 29.460 0.199 0.000 1.119 524 W HN -0.023 nan 8.180 nan 0.000 0.542 525 N N -0.634 118.183 118.700 0.196 0.000 2.368 525 N HA -0.030 4.710 4.740 -0.000 0.000 0.176 525 N C 1.415 176.921 175.510 -0.006 0.000 1.021 525 N CA 1.014 54.091 53.050 0.046 0.000 0.888 525 N CB -0.285 38.243 38.487 0.069 0.000 0.995 525 N HN 0.356 nan 8.380 nan 0.000 0.437 526 Q N -0.769 119.054 119.800 0.038 0.000 2.527 526 Q HA 0.202 4.542 4.340 -0.000 0.000 0.194 526 Q C 1.406 177.412 176.000 0.009 0.000 0.963 526 Q CA -0.149 55.677 55.803 0.037 0.000 0.861 526 Q CB -0.169 28.626 28.738 0.094 0.000 1.051 526 Q HN 0.093 nan 8.270 nan 0.000 0.605 527 F N 1.954 121.834 119.950 -0.117 0.000 2.046 527 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 527 F C 2.032 177.660 175.800 -0.285 0.000 1.123 527 F CA 1.264 59.167 58.000 -0.162 0.000 1.199 527 F CB -0.364 38.578 39.000 -0.097 0.000 0.972 527 F HN 0.071 nan 8.300 nan 0.000 0.474 528 L N 0.972 121.820 121.223 -0.626 0.000 2.013 528 L HA -0.127 4.212 4.340 -0.000 0.000 0.212 528 L C -0.775 175.839 176.870 -0.428 0.000 1.073 528 L CA 2.247 56.658 54.840 -0.714 0.000 0.753 528 L CB -1.984 39.572 42.059 -0.837 0.000 0.890 528 L HN 0.017 nan 8.230 nan 0.000 0.432 529 P HA -0.182 nan 4.420 nan 0.000 0.216 529 P C 1.479 178.663 177.300 -0.195 0.000 1.150 529 P CA 1.564 64.564 63.100 -0.166 0.000 0.837 529 P CB -0.046 31.586 31.700 -0.114 0.000 0.786 530 K N -0.560 119.690 120.400 -0.250 0.000 2.057 530 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 530 K C 2.068 178.494 176.600 -0.290 0.000 1.049 530 K CA 1.102 57.251 56.287 -0.231 0.000 0.931 530 K CB -0.884 31.490 32.500 -0.210 0.000 0.714 530 K HN 0.175 nan 8.250 nan 0.000 0.440 531 L N 1.162 122.096 121.223 -0.482 0.000 2.093 531 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 531 L C 1.992 178.718 176.870 -0.240 0.000 1.085 531 L CA 1.108 55.694 54.840 -0.423 0.000 0.755 531 L CB -0.063 41.618 42.059 -0.630 0.000 0.904 531 L HN 0.146 nan 8.230 nan 0.000 0.435 532 L N -0.085 121.011 121.223 -0.212 0.000 2.217 532 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 532 L C 2.204 179.022 176.870 -0.086 0.000 1.107 532 L CA 0.894 55.662 54.840 -0.120 0.000 0.783 532 L CB -0.636 41.377 42.059 -0.076 0.000 0.919 532 L HN 0.381 nan 8.230 nan 0.000 0.442 533 N N 0.662 119.305 118.700 -0.096 0.000 2.216 533 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 533 N C 1.873 177.346 175.510 -0.061 0.000 1.017 533 N CA 1.277 54.286 53.050 -0.068 0.000 0.861 533 N CB -0.018 38.427 38.487 -0.069 0.000 0.986 533 N HN 0.218 nan 8.380 nan 0.000 0.428 534 A N -1.008 121.765 122.820 -0.079 0.000 1.954 534 A HA 0.033 4.353 4.320 -0.000 0.000 0.222 534 A C 1.234 178.792 177.584 -0.043 0.000 1.199 534 A CA 2.889 54.889 52.037 -0.062 0.000 0.657 534 A CB -1.320 17.634 19.000 -0.077 0.000 0.823 534 A HN 0.815 nan 8.150 nan 0.000 0.463 535 T N 0.000 114.528 114.554 -0.043 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.082 62.100 -0.029 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658