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 2va9_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 0.000 174.644 174.600 0.073 0.000 1.055 4 S CA 0.000 58.229 58.200 0.049 0.000 1.107 4 S CB 0.000 63.231 63.200 0.052 0.000 0.593 5 E N 1.635 121.886 120.200 0.085 0.000 2.152 5 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 5 E C 1.196 177.926 176.600 0.217 0.000 0.983 5 E CA 1.032 57.509 56.400 0.128 0.000 0.818 5 E CB -0.077 29.689 29.700 0.110 0.000 0.758 5 E HN 0.684 nan 8.360 nan 0.000 0.467 6 L N 0.803 122.127 121.223 0.168 0.000 2.558 6 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 6 L C 0.423 177.481 176.870 0.313 0.000 1.128 6 L CA -0.292 54.662 54.840 0.189 0.000 0.868 6 L CB 0.263 42.332 42.059 0.017 0.000 1.006 6 L HN 0.176 nan 8.230 nan 0.000 0.454 7 L N 1.022 122.376 121.223 0.219 0.000 2.276 7 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 7 L C -0.610 176.325 176.870 0.108 0.000 1.024 7 L CA -0.249 54.702 54.840 0.184 0.000 0.826 7 L CB 1.284 43.408 42.059 0.108 0.000 1.211 7 L HN -0.316 nan 8.230 nan 0.000 0.422 8 V N 4.895 124.858 119.914 0.082 0.000 2.604 8 V HA 0.530 4.650 4.120 -0.000 0.000 0.305 8 V C -0.439 175.565 176.094 -0.150 0.000 1.043 8 V CA -0.881 61.318 62.300 -0.167 0.000 0.888 8 V CB 2.028 33.495 31.823 -0.594 0.000 0.995 8 V HN 0.701 nan 8.190 nan 0.000 0.429 9 N N 2.976 121.514 118.700 -0.271 0.000 2.439 9 N HA 0.376 5.116 4.740 -0.000 0.000 0.249 9 N C 0.094 175.283 175.510 -0.536 0.000 1.003 9 N CA -0.192 52.681 53.050 -0.295 0.000 0.942 9 N CB 1.985 40.298 38.487 -0.289 0.000 1.115 9 N HN 0.889 nan 8.380 nan 0.000 0.505 10 T N -1.519 112.847 114.554 -0.314 0.000 2.923 10 T HA 0.307 4.657 4.350 -0.000 0.000 0.281 10 T C 1.131 175.640 174.700 -0.319 0.000 0.995 10 T CA -0.606 61.314 62.100 -0.300 0.000 0.985 10 T CB 1.677 70.609 68.868 0.107 0.000 1.114 10 T HN 0.239 nan 8.240 nan 0.000 0.548 11 K N 0.071 120.335 120.400 -0.227 0.000 2.442 11 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 11 K C 1.451 177.924 176.600 -0.210 0.000 1.044 11 K CA 0.921 57.097 56.287 -0.184 0.000 0.948 11 K CB -0.045 32.393 32.500 -0.103 0.000 0.762 11 K HN 0.511 nan 8.250 nan 0.000 0.472 12 S N -0.692 114.847 115.700 -0.269 0.000 2.603 12 S HA 0.271 4.740 4.470 -0.000 0.000 0.232 12 S C 0.122 174.017 174.600 -1.174 0.000 1.016 12 S CA -0.033 57.890 58.200 -0.462 0.000 0.976 12 S CB 1.599 64.692 63.200 -0.178 0.000 0.921 12 S HN 0.464 nan 8.310 nan 0.000 0.516 13 G N 1.403 109.664 108.800 -0.898 0.000 2.347 13 G HA2 0.132 4.092 3.960 -0.000 0.000 0.321 13 G HA3 0.132 4.092 3.960 -0.000 0.000 0.321 13 G C -1.614 173.169 174.900 -0.194 0.000 1.412 13 G CA -1.191 43.313 45.100 -0.993 0.000 0.990 13 G HN 0.097 nan 8.290 nan 0.000 0.637 14 K N -0.923 119.550 120.400 0.122 0.000 2.219 14 K HA 0.628 4.948 4.320 -0.000 0.000 0.258 14 K C -0.341 176.611 176.600 0.586 0.000 1.008 14 K CA -0.433 56.021 56.287 0.278 0.000 0.928 14 K CB 1.638 34.268 32.500 0.215 0.000 0.983 14 K HN 0.384 nan 8.250 nan 0.000 0.484 15 V N 2.344 122.526 119.914 0.447 0.000 2.888 15 V HA 0.296 4.416 4.120 -0.000 0.000 0.309 15 V C -1.387 174.978 176.094 0.452 0.000 1.114 15 V CA -0.888 61.733 62.300 0.534 0.000 0.940 15 V CB 2.004 34.186 31.823 0.598 0.000 1.021 15 V HN 0.689 nan 8.190 nan 0.000 0.426 16 M N 3.918 123.764 119.600 0.411 0.000 2.134 16 M HA 0.775 5.255 4.480 -0.000 0.000 0.310 16 M C 0.089 176.500 176.300 0.184 0.000 0.966 16 M CA -0.051 55.417 55.300 0.280 0.000 0.922 16 M CB 1.174 33.873 32.600 0.166 0.000 1.537 16 M HN 0.737 nan 8.290 nan 0.000 0.424 17 G N 1.460 110.258 108.800 -0.004 0.000 2.531 17 G HA2 0.637 4.597 3.960 -0.000 0.000 0.281 17 G HA3 0.637 4.597 3.960 -0.000 0.000 0.281 17 G C -1.082 173.626 174.900 -0.321 0.000 1.382 17 G CA -0.377 44.420 45.100 -0.504 0.000 1.045 17 G HN 0.675 nan 8.290 nan 0.000 0.533 18 T N -1.586 112.742 114.554 -0.377 0.000 2.912 18 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 18 T C -0.548 174.039 174.700 -0.187 0.000 1.052 18 T CA -0.721 61.251 62.100 -0.213 0.000 0.996 18 T CB 1.376 70.143 68.868 -0.168 0.000 1.070 18 T HN 0.597 nan 8.240 nan 0.000 0.465 19 R N 3.381 123.820 120.500 -0.101 0.000 2.267 19 R HA 0.573 4.913 4.340 -0.000 0.000 0.319 19 R C -0.345 175.958 176.300 0.004 0.000 1.067 19 R CA -0.469 55.608 56.100 -0.038 0.000 0.936 19 R CB 0.146 30.432 30.300 -0.024 0.000 1.006 19 R HN 0.534 nan 8.270 nan 0.000 0.452 20 V N 2.940 122.870 119.914 0.026 0.000 2.555 20 V HA 0.673 4.793 4.120 -0.000 0.000 0.302 20 V C -2.432 173.671 176.094 0.015 0.000 1.038 20 V CA -2.659 59.653 62.300 0.019 0.000 0.887 20 V CB 1.565 33.386 31.823 -0.003 0.000 0.991 20 V HN 0.762 nan 8.190 nan 0.000 0.434 21 P HA 0.362 nan 4.420 nan 0.000 0.275 21 P C -0.873 176.245 177.300 -0.304 0.000 1.228 21 P CA -0.102 62.813 63.100 -0.308 0.000 0.786 21 P CB 1.984 33.518 31.700 -0.276 0.000 0.927 22 V N 5.424 125.077 119.914 -0.434 0.000 2.653 22 V HA 0.167 4.287 4.120 -0.000 0.000 0.298 22 V C -0.124 175.676 176.094 -0.490 0.000 1.097 22 V CA -0.910 61.130 62.300 -0.434 0.000 0.908 22 V CB 0.641 32.157 31.823 -0.512 0.000 1.024 22 V HN 0.504 nan 8.190 nan 0.000 0.435 23 L N 5.815 126.901 121.223 -0.228 0.000 3.943 23 L HA -0.213 4.127 4.340 -0.000 0.000 0.529 23 L C 1.064 177.818 176.870 -0.193 0.000 1.173 23 L CA 0.884 55.637 54.840 -0.146 0.000 0.737 23 L CB -2.041 39.990 42.059 -0.048 0.000 1.321 23 L HN 1.057 nan 8.230 nan 0.000 0.794 24 S N -1.951 113.637 115.700 -0.186 0.000 3.445 24 S HA -0.222 4.248 4.470 -0.000 0.000 0.319 24 S C 0.486 174.987 174.600 -0.164 0.000 1.209 24 S CA 1.507 59.620 58.200 -0.144 0.000 0.934 24 S CB -0.551 62.620 63.200 -0.048 0.000 0.999 24 S HN 0.901 nan 8.310 nan 0.000 0.582 25 S N -1.161 114.334 115.700 -0.342 0.000 2.998 25 S HA 0.854 5.324 4.470 -0.000 0.000 0.321 25 S C -1.328 172.964 174.600 -0.512 0.000 1.171 25 S CA -0.651 57.410 58.200 -0.232 0.000 0.882 25 S CB 1.090 64.179 63.200 -0.185 0.000 1.301 25 S HN 0.457 nan 8.310 nan 0.000 0.629 26 H N -0.440 118.564 119.070 -0.109 0.000 3.008 26 H HA 0.777 5.333 4.556 -0.000 0.000 0.354 26 H C -0.686 174.652 175.328 0.015 0.000 1.252 26 H CA -0.276 55.731 56.048 -0.069 0.000 1.117 26 H CB 1.389 31.137 29.762 -0.023 0.000 1.857 26 H HN 0.764 nan 8.280 nan 0.000 0.547 27 I N -2.515 118.154 120.570 0.165 0.000 3.093 27 I HA 0.647 4.817 4.170 -0.000 0.000 0.308 27 I C -1.183 175.022 176.117 0.146 0.000 1.303 27 I CA -0.946 60.470 61.300 0.192 0.000 0.975 27 I CB 2.547 40.693 38.000 0.243 0.000 1.286 27 I HN 0.399 nan 8.210 nan 0.000 0.459 28 S N 1.902 117.699 115.700 0.160 0.000 2.562 28 S HA 0.813 5.283 4.470 -0.000 0.000 0.275 28 S C -0.212 174.378 174.600 -0.016 0.000 1.281 28 S CA -0.401 57.821 58.200 0.036 0.000 1.045 28 S CB 1.376 64.666 63.200 0.150 0.000 0.962 28 S HN 0.869 nan 8.310 nan 0.000 0.503 29 A N 2.573 125.195 122.820 -0.330 0.000 2.375 29 A HA 0.735 5.055 4.320 -0.000 0.000 0.295 29 A C -1.300 175.916 177.584 -0.614 0.000 1.066 29 A CA -0.646 51.126 52.037 -0.442 0.000 0.722 29 A CB 0.455 19.186 19.000 -0.449 0.000 1.206 29 A HN 0.640 nan 8.150 nan 0.000 0.435 30 F N 3.021 122.832 119.950 -0.233 0.000 2.325 30 F HA 0.511 5.038 4.527 -0.000 0.000 0.369 30 F C -0.050 175.623 175.800 -0.212 0.000 1.095 30 F CA -0.439 57.503 58.000 -0.096 0.000 1.082 30 F CB 1.122 40.169 39.000 0.079 0.000 1.289 30 F HN 0.357 nan 8.300 nan 0.000 0.462 31 L N 2.081 123.252 121.223 -0.087 0.000 2.325 31 L HA 0.712 5.052 4.340 -0.000 0.000 0.278 31 L C 1.007 177.911 176.870 0.057 0.000 1.023 31 L CA -1.013 53.776 54.840 -0.085 0.000 0.811 31 L CB 1.604 43.526 42.059 -0.227 0.000 1.249 31 L HN 0.821 nan 8.230 nan 0.000 0.431 32 G N 2.664 111.524 108.800 0.099 0.000 2.176 32 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 32 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 32 G C 0.004 175.019 174.900 0.190 0.000 1.024 32 G CA -0.302 44.867 45.100 0.115 0.000 0.755 32 G HN 0.481 nan 8.290 nan 0.000 0.507 33 I N 2.522 123.108 120.570 0.027 0.000 2.452 33 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 33 I C -1.255 174.669 176.117 -0.322 0.000 1.079 33 I CA -1.874 59.262 61.300 -0.274 0.000 1.387 33 I CB 0.920 38.747 38.000 -0.288 0.000 1.404 33 I HN 0.005 nan 8.210 nan 0.000 0.522 34 P HA 0.079 nan 4.420 nan 0.000 0.278 34 P C -0.411 176.546 177.300 -0.571 0.000 1.238 34 P CA -0.029 62.540 63.100 -0.886 0.000 0.794 34 P CB 0.783 31.858 31.700 -1.041 0.000 0.955 35 F N -0.179 119.444 119.950 -0.545 0.000 2.838 35 F HA 0.772 5.299 4.527 -0.000 0.000 0.329 35 F C -0.201 175.519 175.800 -0.134 0.000 1.116 35 F CA -0.836 56.929 58.000 -0.392 0.000 1.155 35 F CB 0.099 38.789 39.000 -0.517 0.000 1.106 35 F HN 0.437 nan 8.300 nan 0.000 0.538 36 A N -0.186 122.325 122.820 -0.516 0.000 2.586 36 A HA 0.565 4.885 4.320 -0.000 0.000 0.290 36 A C -1.217 176.178 177.584 -0.314 0.000 1.086 36 A CA -0.825 51.025 52.037 -0.312 0.000 0.665 36 A CB 0.850 19.635 19.000 -0.358 0.000 1.279 36 A HN 0.046 nan 8.150 nan 0.000 0.423 37 E N 1.141 121.248 120.200 -0.155 0.000 2.344 37 E HA 0.306 4.656 4.350 -0.000 0.000 0.270 37 E C -2.363 174.153 176.600 -0.140 0.000 1.021 37 E CA -1.432 54.904 56.400 -0.108 0.000 0.887 37 E CB 0.257 29.937 29.700 -0.034 0.000 0.997 37 E HN 0.228 nan 8.360 nan 0.000 0.429 38 P HA -0.041 nan 4.420 nan 0.000 0.256 38 P C -2.147 175.107 177.300 -0.077 0.000 1.173 38 P CA -0.522 62.521 63.100 -0.096 0.000 0.768 38 P CB -0.045 31.636 31.700 -0.031 0.000 0.758 39 P HA -0.016 nan 4.420 nan 0.000 0.228 39 P C -0.106 177.147 177.300 -0.079 0.000 1.748 39 P CA 0.177 63.233 63.100 -0.074 0.000 0.909 39 P CB -0.180 31.475 31.700 -0.075 0.000 1.882 40 V N -3.115 116.761 119.914 -0.064 0.000 3.096 40 V HA 0.857 4.977 4.120 -0.000 0.000 0.319 40 V C 1.078 177.139 176.094 -0.055 0.000 1.082 40 V CA 0.198 62.460 62.300 -0.065 0.000 1.022 40 V CB 0.577 32.372 31.823 -0.047 0.000 1.103 40 V HN 0.515 nan 8.190 nan 0.000 0.455 41 G N 2.538 111.304 108.800 -0.057 0.000 2.596 41 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.304 41 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.304 41 G C 0.692 175.567 174.900 -0.042 0.000 1.189 41 G CA 0.830 45.904 45.100 -0.042 0.000 0.986 41 G HN 1.865 nan 8.290 nan 0.000 0.548 42 N N 1.163 119.857 118.700 -0.011 0.000 2.571 42 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 42 N C 1.796 177.309 175.510 0.005 0.000 1.154 42 N CA 1.568 54.625 53.050 0.012 0.000 0.907 42 N CB -0.134 38.373 38.487 0.033 0.000 0.977 42 N HN 0.558 nan 8.380 nan 0.000 0.449 43 M N -0.224 119.361 119.600 -0.024 0.000 2.465 43 M HA 0.117 4.597 4.480 -0.000 0.000 0.249 43 M C 0.790 177.049 176.300 -0.068 0.000 1.130 43 M CA -0.088 55.195 55.300 -0.028 0.000 1.067 43 M CB -0.082 32.498 32.600 -0.032 0.000 1.394 43 M HN 0.139 nan 8.290 nan 0.000 0.483 44 R N 0.627 121.039 120.500 -0.147 0.000 2.489 44 R HA 0.029 4.369 4.340 -0.000 0.000 0.287 44 R C -0.334 175.771 176.300 -0.326 0.000 1.053 44 R CA 0.501 56.383 56.100 -0.364 0.000 1.036 44 R CB 0.241 30.185 30.300 -0.595 0.000 0.966 44 R HN 0.180 nan 8.270 nan 0.000 0.432 45 F N -0.357 119.583 119.950 -0.018 0.000 2.502 45 F HA -0.276 4.251 4.527 -0.000 0.000 0.480 45 F C 0.437 176.214 175.800 -0.037 0.000 0.543 45 F CA 0.810 58.778 58.000 -0.053 0.000 1.350 45 F CB -1.313 37.644 39.000 -0.071 0.000 1.999 45 F HN 0.621 nan 8.300 nan 0.000 0.267 46 R N 1.354 121.922 120.500 0.113 0.000 2.528 46 R HA 0.540 4.880 4.340 -0.000 0.000 0.271 46 R C 0.552 176.878 176.300 0.044 0.000 1.056 46 R CA -0.925 55.219 56.100 0.074 0.000 1.117 46 R CB 0.662 30.995 30.300 0.054 0.000 1.085 46 R HN 0.106 nan 8.270 nan 0.000 0.530 47 R N 2.262 122.789 120.500 0.046 0.000 2.640 47 R HA 0.045 4.385 4.340 -0.000 0.000 0.270 47 R C -1.836 174.487 176.300 0.039 0.000 1.024 47 R CA -0.947 55.180 56.100 0.044 0.000 1.085 47 R CB -0.232 30.100 30.300 0.054 0.000 0.963 47 R HN 0.411 nan 8.270 nan 0.000 0.426 48 P HA 0.042 nan 4.420 nan 0.000 0.272 48 P C -0.828 176.499 177.300 0.046 0.000 1.230 48 P CA -0.002 63.121 63.100 0.040 0.000 0.788 48 P CB 0.808 32.551 31.700 0.071 0.000 0.949 49 E N 1.376 121.593 120.200 0.028 0.000 2.248 49 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 49 E C -2.531 174.096 176.600 0.045 0.000 0.877 49 E CA -2.763 53.660 56.400 0.038 0.000 0.759 49 E CB 0.971 30.686 29.700 0.025 0.000 1.182 49 E HN 0.238 nan 8.360 nan 0.000 0.418 50 P HA -0.020 nan 4.420 nan 0.000 0.266 50 P C -1.139 176.211 177.300 0.083 0.000 1.195 50 P CA -0.147 63.017 63.100 0.108 0.000 0.768 50 P CB 0.384 32.153 31.700 0.115 0.000 0.838 51 K N 4.479 124.937 120.400 0.096 0.000 2.382 51 K HA -0.000 4.320 4.320 -0.000 0.000 0.286 51 K C 0.084 176.776 176.600 0.153 0.000 1.062 51 K CA 0.118 56.461 56.287 0.092 0.000 1.000 51 K CB -0.329 32.227 32.500 0.092 0.000 0.954 51 K HN 0.313 nan 8.250 nan 0.000 0.470 52 K N 4.844 125.323 120.400 0.131 0.000 2.448 52 K HA 0.163 4.483 4.320 -0.000 0.000 0.278 52 K C -2.181 174.518 176.600 0.165 0.000 1.009 52 K CA -1.569 54.789 56.287 0.118 0.000 0.995 52 K CB -0.170 32.388 32.500 0.097 0.000 0.917 52 K HN 0.342 nan 8.250 nan 0.000 0.481 53 P HA -0.100 nan 4.420 nan 0.000 0.266 53 P C -1.182 176.164 177.300 0.077 0.000 1.186 53 P CA 0.163 63.209 63.100 -0.092 0.000 0.767 53 P CB 0.135 31.746 31.700 -0.149 0.000 0.820 54 W N 0.823 122.201 121.300 0.130 0.000 2.820 54 W HA 0.739 5.398 4.660 -0.000 0.000 0.350 54 W C -0.917 175.680 176.519 0.131 0.000 1.116 54 W CA -0.772 56.667 57.345 0.158 0.000 1.146 54 W CB 0.163 29.789 29.460 0.276 0.000 1.433 54 W HN 0.118 nan 8.180 nan 0.000 0.561 55 S N 0.803 116.723 115.700 0.366 0.000 2.713 55 S HA 0.766 5.236 4.470 -0.000 0.000 0.283 55 S C 0.492 175.309 174.600 0.362 0.000 1.161 55 S CA 0.419 58.759 58.200 0.234 0.000 0.999 55 S CB 0.835 64.123 63.200 0.148 0.000 1.039 55 S HN 1.503 nan 8.310 nan 0.000 0.548 56 G N -0.066 108.874 108.800 0.233 0.000 2.645 56 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.239 56 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.239 56 G C -0.847 174.251 174.900 0.330 0.000 1.331 56 G CA -0.370 44.865 45.100 0.225 0.000 0.890 56 G HN 0.967 nan 8.290 nan 0.000 0.572 57 V N 0.802 120.869 119.914 0.255 0.000 2.370 57 V HA 0.475 4.595 4.120 -0.000 0.000 0.283 57 V C 0.289 176.540 176.094 0.261 0.000 1.023 57 V CA -0.504 61.973 62.300 0.296 0.000 0.857 57 V CB 1.711 33.644 31.823 0.182 0.000 0.985 57 V HN 0.686 nan 8.190 nan 0.000 0.443 58 W N 5.603 127.009 121.300 0.176 0.000 2.345 58 W HA 0.221 4.881 4.660 -0.000 0.000 0.308 58 W C 0.298 176.822 176.519 0.009 0.000 1.273 58 W CA -0.506 56.801 57.345 -0.065 0.000 1.243 58 W CB 0.820 30.091 29.460 -0.315 0.000 1.260 58 W HN 0.614 nan 8.180 nan 0.000 0.509 59 N N 4.721 123.329 118.700 -0.153 0.000 2.406 59 N HA 0.144 4.884 4.740 -0.000 0.000 0.265 59 N C -0.527 175.083 175.510 0.166 0.000 1.203 59 N CA 0.282 53.320 53.050 -0.021 0.000 0.945 59 N CB 0.773 39.168 38.487 -0.154 0.000 1.165 59 N HN 0.383 nan 8.380 nan 0.000 0.485 60 A N 2.889 125.869 122.820 0.266 0.000 3.257 60 A HA 0.213 4.533 4.320 -0.000 0.000 0.308 60 A C 0.993 178.604 177.584 0.045 0.000 1.175 60 A CA -0.454 51.739 52.037 0.259 0.000 1.018 60 A CB -0.410 18.806 19.000 0.361 0.000 1.088 60 A HN 0.630 nan 8.150 nan 0.000 0.567 61 S N -0.981 114.709 115.700 -0.017 0.000 2.523 61 S HA 0.183 4.653 4.470 -0.000 0.000 0.217 61 S C 0.744 175.263 174.600 -0.135 0.000 0.996 61 S CA 0.625 58.763 58.200 -0.103 0.000 0.921 61 S CB -0.177 62.970 63.200 -0.089 0.000 0.829 61 S HN 0.905 nan 8.310 nan 0.000 0.495 62 T N -0.946 113.549 114.554 -0.098 0.000 2.906 62 T HA 0.647 4.997 4.350 -0.000 0.000 0.295 62 T C -0.935 173.735 174.700 -0.050 0.000 1.075 62 T CA -0.723 61.309 62.100 -0.113 0.000 1.005 62 T CB 0.733 69.561 68.868 -0.067 0.000 1.136 62 T HN 0.062 nan 8.240 nan 0.000 0.498 63 Y N 2.969 123.241 120.300 -0.046 0.000 2.597 63 Y HA 0.313 4.863 4.550 -0.000 0.000 0.336 63 Y C -1.304 174.540 175.900 -0.095 0.000 1.216 63 Y CA -1.476 56.597 58.100 -0.045 0.000 1.463 63 Y CB 0.092 38.543 38.460 -0.015 0.000 1.303 63 Y HN 0.558 nan 8.280 nan 0.000 0.576 64 P HA 0.071 nan 4.420 nan 0.000 0.289 64 P C -0.554 176.652 177.300 -0.156 0.000 1.299 64 P CA -0.436 62.540 63.100 -0.206 0.000 0.766 64 P CB 0.960 32.422 31.700 -0.397 0.000 1.226 65 N N -0.160 118.403 118.700 -0.228 0.000 2.381 65 N HA 0.146 4.886 4.740 -0.000 0.000 0.254 65 N C -0.034 175.419 175.510 -0.095 0.000 1.264 65 N CA -0.006 52.962 53.050 -0.135 0.000 0.942 65 N CB 0.014 38.427 38.487 -0.124 0.000 1.190 65 N HN 0.411 nan 8.380 nan 0.000 0.495 66 N N -0.770 117.872 118.700 -0.096 0.000 2.456 66 N HA 0.299 5.038 4.740 -0.000 0.000 0.296 66 N C -0.559 174.891 175.510 -0.100 0.000 1.102 66 N CA -0.670 52.318 53.050 -0.104 0.000 0.924 66 N CB 1.254 39.658 38.487 -0.138 0.000 1.186 66 N HN 0.390 nan 8.380 nan 0.000 0.492 67 c N 1.534 120.077 118.600 -0.095 0.000 2.676 67 c HA 0.029 4.599 4.570 -0.000 0.000 0.416 67 c C 0.671 174.652 174.090 -0.180 0.000 1.299 67 c CA -0.557 55.698 56.329 -0.123 0.000 2.048 67 c CB -0.180 42.285 42.510 -0.075 0.000 2.713 67 c HN 0.535 nan 8.230 nan 0.000 0.624 68 Q N 2.971 122.578 119.800 -0.323 0.000 2.263 68 Q HA 0.138 4.478 4.340 -0.000 0.000 0.289 68 Q C 0.076 175.962 176.000 -0.190 0.000 1.061 68 Q CA 1.078 56.648 55.803 -0.388 0.000 0.927 68 Q CB 0.228 28.426 28.738 -0.899 0.000 1.154 68 Q HN 0.891 nan 8.270 nan 0.000 0.378 69 Q N 1.513 121.308 119.800 -0.009 0.000 2.685 69 Q HA 0.355 4.694 4.340 -0.000 0.000 0.301 69 Q C -1.287 174.868 176.000 0.258 0.000 0.924 69 Q CA -1.049 54.856 55.803 0.171 0.000 0.755 69 Q CB 0.886 29.692 28.738 0.112 0.000 1.470 69 Q HN 0.472 nan 8.270 nan 0.000 0.434 70 Y N 0.886 121.359 120.300 0.288 0.000 2.425 70 Y HA 0.424 4.974 4.550 -0.000 0.000 0.331 70 Y C -1.083 174.982 175.900 0.274 0.000 1.157 70 Y CA -0.023 58.275 58.100 0.331 0.000 1.372 70 Y CB 1.054 39.816 38.460 0.503 0.000 1.253 70 Y HN 0.422 nan 8.280 nan 0.000 0.536 71 V N 6.560 126.208 119.914 -0.443 0.000 2.417 71 V HA 0.124 4.244 4.120 -0.000 0.000 0.291 71 V C -0.652 175.131 176.094 -0.518 0.000 1.024 71 V CA -0.959 61.156 62.300 -0.309 0.000 0.861 71 V CB 1.409 33.136 31.823 -0.160 0.000 0.985 71 V HN 0.799 nan 8.190 nan 0.000 0.436 72 D N 3.775 124.108 120.400 -0.112 0.000 2.358 72 D HA 0.124 4.764 4.640 -0.000 0.000 0.258 72 D C 0.541 176.894 176.300 0.090 0.000 1.223 72 D CA 0.334 54.394 54.000 0.101 0.000 0.886 72 D CB 0.917 41.930 40.800 0.356 0.000 1.120 72 D HN 0.666 nan 8.370 nan 0.000 0.482 73 E N 2.352 122.581 120.200 0.049 0.000 2.693 73 E HA -0.011 4.339 4.350 -0.000 0.000 0.214 73 E C 1.060 177.657 176.600 -0.005 0.000 0.990 73 E CA -0.298 56.121 56.400 0.032 0.000 1.047 73 E CB 0.598 30.288 29.700 -0.017 0.000 1.039 73 E HN 0.429 nan 8.360 nan 0.000 0.475 74 Q N -0.275 119.506 119.800 -0.031 0.000 2.045 74 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 74 Q C -0.012 175.646 176.000 -0.569 0.000 0.991 74 Q CA 1.375 56.932 55.803 -0.410 0.000 0.851 74 Q CB 0.093 28.390 28.738 -0.735 0.000 0.911 74 Q HN 0.204 nan 8.270 nan 0.000 0.418 75 F N 0.601 120.622 119.950 0.117 0.000 2.453 75 F HA 0.357 4.884 4.527 -0.000 0.000 0.358 75 F C -2.062 173.815 175.800 0.128 0.000 1.129 75 F CA -2.752 55.299 58.000 0.086 0.000 1.200 75 F CB 1.010 40.058 39.000 0.079 0.000 1.431 75 F HN -0.131 nan 8.300 nan 0.000 0.503 76 P HA 0.152 nan 4.420 nan 0.000 0.260 76 P C 1.004 178.390 177.300 0.143 0.000 1.185 76 P CA 1.226 64.406 63.100 0.134 0.000 0.763 76 P CB 0.678 32.421 31.700 0.071 0.000 0.776 77 G N 3.137 112.010 108.800 0.122 0.000 2.299 77 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.237 77 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.237 77 G C 0.106 175.073 174.900 0.112 0.000 1.027 77 G CA -0.458 44.694 45.100 0.088 0.000 0.619 77 G HN 0.529 nan 8.290 nan 0.000 0.513 78 F N 3.647 123.593 119.950 -0.007 0.000 2.571 78 F HA 0.445 4.972 4.527 -0.000 0.000 0.384 78 F C 1.791 177.525 175.800 -0.110 0.000 1.058 78 F CA 0.171 58.111 58.000 -0.100 0.000 1.200 78 F CB 1.045 39.963 39.000 -0.137 0.000 1.077 78 F HN 0.313 nan 8.300 nan 0.000 0.558 79 S N 3.314 118.595 115.700 -0.698 0.000 2.423 79 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 79 S C 2.215 176.363 174.600 -0.753 0.000 1.014 79 S CA 0.740 58.576 58.200 -0.606 0.000 0.965 79 S CB -1.083 61.825 63.200 -0.487 0.000 0.785 79 S HN 0.804 nan 8.310 nan 0.000 0.495 80 G N 1.799 109.634 108.800 -1.609 0.000 2.442 80 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 80 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 80 G C 1.723 176.798 174.900 0.292 0.000 1.141 80 G CA 1.301 45.797 45.100 -1.007 0.000 0.763 80 G HN 0.789 nan 8.290 nan 0.000 0.554 81 S N -0.298 115.604 115.700 0.336 0.000 2.502 81 S HA 0.142 4.612 4.470 -0.000 0.000 0.228 81 S C 1.875 176.747 174.600 0.453 0.000 1.061 81 S CA 0.916 59.633 58.200 0.861 0.000 0.935 81 S CB 0.106 63.950 63.200 1.073 0.000 0.809 81 S HN 0.239 nan 8.310 nan 0.000 0.510 82 E N 2.390 122.689 120.200 0.165 0.000 2.204 82 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 82 E C 2.086 178.618 176.600 -0.115 0.000 0.990 82 E CA 1.478 57.901 56.400 0.037 0.000 0.821 82 E CB -0.598 29.085 29.700 -0.029 0.000 0.750 82 E HN 0.850 nan 8.360 nan 0.000 0.477 83 M N -2.216 117.205 119.600 -0.299 0.000 2.539 83 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 83 M C 0.884 176.747 176.300 -0.730 0.000 1.069 83 M CA 1.229 56.180 55.300 -0.581 0.000 1.081 83 M CB -0.329 31.792 32.600 -0.797 0.000 1.412 83 M HN 0.044 nan 8.290 nan 0.000 0.482 84 W N 0.817 122.069 121.300 -0.080 0.000 3.107 84 W HA 0.284 4.944 4.660 -0.000 0.000 0.293 84 W C 0.471 176.909 176.519 -0.136 0.000 1.239 84 W CA -0.922 56.343 57.345 -0.133 0.000 1.653 84 W CB -0.044 29.372 29.460 -0.073 0.000 1.068 84 W HN 0.096 nan 8.180 nan 0.000 0.615 85 N N 1.539 120.277 118.700 0.064 0.000 2.424 85 N HA 0.154 4.894 4.740 -0.000 0.000 0.257 85 N C -2.477 172.985 175.510 -0.079 0.000 1.250 85 N CA -1.353 51.705 53.050 0.013 0.000 0.946 85 N CB -0.214 38.286 38.487 0.022 0.000 1.175 85 N HN -0.359 nan 8.380 nan 0.000 0.477 86 P HA 0.064 nan 4.420 nan 0.000 0.265 86 P C 0.216 177.445 177.300 -0.118 0.000 1.193 86 P CA -0.025 62.999 63.100 -0.127 0.000 0.765 86 P CB 0.317 31.952 31.700 -0.109 0.000 0.823 87 N N 2.409 121.024 118.700 -0.142 0.000 2.238 87 N HA 0.087 4.827 4.740 -0.000 0.000 0.222 87 N C 0.057 175.514 175.510 -0.088 0.000 1.133 87 N CA -0.001 52.979 53.050 -0.116 0.000 0.854 87 N CB 0.377 38.783 38.487 -0.136 0.000 1.041 87 N HN 0.199 nan 8.380 nan 0.000 0.510 88 R N 0.250 120.694 120.500 -0.093 0.000 2.799 88 R HA 0.249 4.589 4.340 -0.000 0.000 0.270 88 R C -0.698 175.556 176.300 -0.077 0.000 1.010 88 R CA -0.653 55.403 56.100 -0.073 0.000 0.916 88 R CB 1.497 31.753 30.300 -0.074 0.000 1.228 88 R HN 0.263 nan 8.270 nan 0.000 0.469 89 E N 2.148 122.307 120.200 -0.068 0.000 2.452 89 E HA -0.013 4.337 4.350 -0.000 0.000 0.261 89 E C -0.320 176.231 176.600 -0.081 0.000 0.987 89 E CA 0.272 56.631 56.400 -0.068 0.000 0.926 89 E CB 0.593 30.255 29.700 -0.063 0.000 0.934 89 E HN 0.250 nan 8.360 nan 0.000 0.452 90 M N 2.613 122.164 119.600 -0.082 0.000 2.255 90 M HA 0.230 4.710 4.480 -0.000 0.000 0.336 90 M C 0.028 176.265 176.300 -0.105 0.000 1.135 90 M CA 0.032 55.273 55.300 -0.099 0.000 1.145 90 M CB 1.512 34.051 32.600 -0.101 0.000 1.473 90 M HN 0.446 nan 8.290 nan 0.000 0.462 91 S N 0.036 115.659 115.700 -0.127 0.000 2.586 91 S HA 0.174 4.643 4.470 -0.000 0.000 0.277 91 S C -0.109 174.396 174.600 -0.158 0.000 1.131 91 S CA -0.695 57.431 58.200 -0.125 0.000 0.848 91 S CB 1.373 64.526 63.200 -0.078 0.000 1.091 91 S HN 0.837 nan 8.310 nan 0.000 0.453 92 E N 0.816 120.911 120.200 -0.175 0.000 2.274 92 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 92 E C -0.267 176.277 176.600 -0.093 0.000 0.996 92 E CA 0.555 56.840 56.400 -0.192 0.000 0.840 92 E CB 0.078 29.671 29.700 -0.179 0.000 0.772 92 E HN 0.542 nan 8.360 nan 0.000 0.491 93 D N 0.271 120.647 120.400 -0.039 0.000 2.508 93 D HA -0.019 4.621 4.640 -0.000 0.000 0.224 93 D C 0.115 176.506 176.300 0.151 0.000 1.171 93 D CA -0.208 53.819 54.000 0.045 0.000 1.006 93 D CB -0.142 40.698 40.800 0.068 0.000 1.073 93 D HN 0.136 nan 8.370 nan 0.000 0.513 94 c N 2.165 120.840 118.600 0.125 0.000 3.911 94 c HA 0.374 4.943 4.570 -0.000 0.000 0.318 94 c C 0.732 174.970 174.090 0.248 0.000 1.643 94 c CA -0.687 55.769 56.329 0.210 0.000 1.845 94 c CB -1.260 41.282 42.510 0.053 0.000 2.981 94 c HN 0.410 nan 8.230 nan 0.000 0.656 95 L N 2.640 123.798 121.223 -0.109 0.000 2.415 95 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 95 L C -0.840 175.434 176.870 -0.993 0.000 1.244 95 L CA 0.594 55.111 54.840 -0.537 0.000 1.113 95 L CB -0.783 40.756 42.059 -0.866 0.000 1.352 95 L HN 0.368 nan 8.230 nan 0.000 0.433 96 Y N 1.944 122.169 120.300 -0.125 0.000 2.605 96 Y HA 0.684 5.234 4.550 -0.000 0.000 0.343 96 Y C -0.129 175.946 175.900 0.292 0.000 1.036 96 Y CA -1.401 56.704 58.100 0.008 0.000 1.065 96 Y CB 1.867 40.304 38.460 -0.039 0.000 1.288 96 Y HN 0.176 nan 8.280 nan 0.000 0.481 97 L N -0.076 121.311 121.223 0.272 0.000 2.371 97 L HA 0.747 5.087 4.340 -0.000 0.000 0.262 97 L C -1.214 175.677 176.870 0.034 0.000 1.006 97 L CA -1.171 53.734 54.840 0.109 0.000 0.818 97 L CB 1.762 43.743 42.059 -0.130 0.000 1.354 97 L HN 0.443 nan 8.230 nan 0.000 0.415 98 N N 2.174 120.916 118.700 0.071 0.000 2.370 98 N HA 0.742 5.481 4.740 -0.000 0.000 0.303 98 N C -1.181 174.260 175.510 -0.115 0.000 1.103 98 N CA -0.269 52.748 53.050 -0.055 0.000 0.848 98 N CB 2.690 41.168 38.487 -0.015 0.000 1.235 98 N HN 0.648 nan 8.380 nan 0.000 0.496 99 I N 0.364 120.777 120.570 -0.261 0.000 2.619 99 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 99 I C -0.890 175.164 176.117 -0.105 0.000 1.100 99 I CA -0.709 60.543 61.300 -0.081 0.000 1.043 99 I CB 2.416 40.325 38.000 -0.151 0.000 1.239 99 I HN 0.246 nan 8.210 nan 0.000 0.420 100 W N 5.828 127.269 121.300 0.236 0.000 2.411 100 W HA 0.574 5.234 4.660 -0.000 0.000 0.317 100 W C -1.080 175.588 176.519 0.247 0.000 1.030 100 W CA -0.618 56.864 57.345 0.229 0.000 1.239 100 W CB 2.105 31.667 29.460 0.170 0.000 1.304 100 W HN 0.072 nan 8.180 nan 0.000 0.437 101 V N 5.112 125.306 119.914 0.465 0.000 2.495 101 V HA 0.322 4.442 4.120 -0.000 0.000 0.298 101 V C -2.067 174.226 176.094 0.332 0.000 1.031 101 V CA -2.417 60.121 62.300 0.397 0.000 0.871 101 V CB 2.045 34.155 31.823 0.479 0.000 0.988 101 V HN 0.238 nan 8.190 nan 0.000 0.432 102 P HA 0.152 nan 4.420 nan 0.000 0.268 102 P C -0.640 176.788 177.300 0.213 0.000 1.205 102 P CA 0.202 63.440 63.100 0.230 0.000 0.771 102 P CB 0.648 32.446 31.700 0.163 0.000 0.858 103 S N 2.727 118.553 115.700 0.211 0.000 2.498 103 S HA 0.516 4.986 4.470 -0.000 0.000 0.317 103 S C -2.305 172.385 174.600 0.150 0.000 1.090 103 S CA -1.628 56.677 58.200 0.175 0.000 1.089 103 S CB -0.008 63.294 63.200 0.169 0.000 0.997 103 S HN 0.269 nan 8.310 nan 0.000 0.470 104 P HA 0.145 nan 4.420 nan 0.000 0.269 104 P C -0.488 176.882 177.300 0.117 0.000 1.209 104 P CA -0.534 62.630 63.100 0.106 0.000 0.776 104 P CB 0.406 32.154 31.700 0.079 0.000 0.876 105 R N 2.917 123.492 120.500 0.126 0.000 2.480 105 R HA 0.094 4.434 4.340 -0.000 0.000 0.303 105 R C -1.855 174.506 176.300 0.102 0.000 0.985 105 R CA -0.865 55.317 56.100 0.137 0.000 1.051 105 R CB -0.502 29.881 30.300 0.138 0.000 0.935 105 R HN 0.369 nan 8.270 nan 0.000 0.410 106 P HA 0.012 nan 4.420 nan 0.000 0.272 106 P C -0.292 177.043 177.300 0.058 0.000 1.254 106 P CA -0.295 62.849 63.100 0.074 0.000 0.795 106 P CB 0.675 32.422 31.700 0.078 0.000 1.022 107 K N -0.349 120.074 120.400 0.038 0.000 2.063 107 K HA 0.186 4.506 4.320 -0.000 0.000 0.204 107 K C 0.217 176.822 176.600 0.009 0.000 1.039 107 K CA 1.230 57.530 56.287 0.022 0.000 0.957 107 K CB -0.029 32.479 32.500 0.013 0.000 0.764 107 K HN 0.252 nan 8.250 nan 0.000 0.447 108 S N 0.096 115.799 115.700 0.005 0.000 2.605 108 S HA 0.147 4.617 4.470 -0.000 0.000 0.142 108 S C -1.006 173.593 174.600 -0.001 0.000 1.452 108 S CA -0.574 57.620 58.200 -0.010 0.000 1.240 108 S CB 0.942 64.124 63.200 -0.029 0.000 1.538 108 S HN 0.315 nan 8.310 nan 0.000 0.394 109 T N 1.654 116.219 114.554 0.018 0.000 2.847 109 T HA 0.413 4.763 4.350 -0.000 0.000 0.279 109 T C 0.587 175.297 174.700 0.017 0.000 0.984 109 T CA 0.081 62.193 62.100 0.019 0.000 0.988 109 T CB 0.616 69.507 68.868 0.038 0.000 1.040 109 T HN 0.341 nan 8.240 nan 0.000 0.528 110 T N 2.210 116.769 114.554 0.008 0.000 2.937 110 T HA 0.342 4.692 4.350 -0.000 0.000 0.316 110 T C -0.363 174.358 174.700 0.035 0.000 1.079 110 T CA -0.293 61.808 62.100 0.003 0.000 1.131 110 T CB 0.367 69.221 68.868 -0.024 0.000 1.000 110 T HN 0.427 nan 8.240 nan 0.000 0.549 111 V N 4.124 124.065 119.914 0.045 0.000 2.604 111 V HA 0.519 4.639 4.120 -0.000 0.000 0.305 111 V C -0.191 175.967 176.094 0.107 0.000 1.043 111 V CA -0.797 61.556 62.300 0.089 0.000 0.888 111 V CB 1.831 33.709 31.823 0.092 0.000 0.995 111 V HN 0.825 nan 8.190 nan 0.000 0.429 112 M N 4.313 124.012 119.600 0.164 0.000 2.197 112 M HA 0.547 5.027 4.480 -0.000 0.000 0.301 112 M C -1.268 175.304 176.300 0.454 0.000 0.987 112 M CA -0.620 54.821 55.300 0.235 0.000 0.921 112 M CB 2.195 34.834 32.600 0.065 0.000 1.569 112 M HN 0.369 nan 8.290 nan 0.000 0.431 113 V N 3.183 123.381 119.914 0.474 0.000 2.370 113 V HA 0.329 4.449 4.120 -0.000 0.000 0.283 113 V C -0.696 175.624 176.094 0.376 0.000 1.023 113 V CA -0.610 61.914 62.300 0.374 0.000 0.857 113 V CB 1.349 33.272 31.823 0.166 0.000 0.985 113 V HN 0.855 nan 8.190 nan 0.000 0.443 114 W N 6.836 128.142 121.300 0.009 0.000 2.365 114 W HA 0.627 5.287 4.660 -0.000 0.000 0.316 114 W C -1.255 175.114 176.519 -0.250 0.000 1.164 114 W CA -0.772 56.325 57.345 -0.413 0.000 1.204 114 W CB 1.211 30.493 29.460 -0.297 0.000 1.213 114 W HN 0.443 nan 8.180 nan 0.000 0.539 115 I N 9.166 129.025 120.570 -1.185 0.000 2.437 115 I HA 0.052 4.222 4.170 -0.000 0.000 0.279 115 I C -0.291 175.042 176.117 -1.305 0.000 1.028 115 I CA -1.097 59.621 61.300 -0.970 0.000 1.142 115 I CB 0.591 38.212 38.000 -0.633 0.000 1.266 115 I HN 0.289 nan 8.210 nan 0.000 0.461 116 Y N 4.497 124.325 120.300 -0.787 0.000 2.550 116 Y HA 0.583 5.133 4.550 -0.000 0.000 0.343 116 Y C 0.782 176.540 175.900 -0.237 0.000 1.245 116 Y CA -0.734 57.079 58.100 -0.479 0.000 1.462 116 Y CB -0.133 38.362 38.460 0.058 0.000 1.340 116 Y HN 0.506 nan 8.280 nan 0.000 0.604 117 G N -0.637 108.203 108.800 0.068 0.000 2.583 117 G HA2 0.503 4.462 3.960 -0.000 0.000 0.280 117 G HA3 0.503 4.462 3.960 -0.000 0.000 0.280 117 G C 0.274 175.131 174.900 -0.071 0.000 1.376 117 G CA -0.930 44.127 45.100 -0.071 0.000 1.043 117 G HN 1.723 nan 8.290 nan 0.000 0.538 118 G N -2.834 105.766 108.800 -0.333 0.000 2.223 118 G HA2 0.410 4.370 3.960 -0.000 0.000 0.200 118 G HA3 0.410 4.370 3.960 -0.000 0.000 0.200 118 G C 1.038 175.381 174.900 -0.928 0.000 1.061 118 G CA 0.706 45.465 45.100 -0.569 0.000 0.790 118 G HN 2.302 nan 8.290 nan 0.000 0.498 119 G N -0.475 107.798 108.800 -0.879 0.000 2.212 119 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.267 119 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.267 119 G C 0.940 175.628 174.900 -0.354 0.000 1.002 119 G CA 0.853 45.283 45.100 -1.116 0.000 0.729 119 G HN 1.755 nan 8.290 nan 0.000 0.517 120 F N -3.393 116.462 119.950 -0.159 0.000 2.871 120 F HA -0.309 4.218 4.527 -0.000 0.000 0.326 120 F C 1.446 177.329 175.800 0.139 0.000 0.675 120 F CA 2.155 60.178 58.000 0.038 0.000 1.188 120 F CB -2.036 36.862 39.000 -0.170 0.000 1.567 120 F HN 0.932 nan 8.300 nan 0.000 0.325 121 Y N -1.050 119.313 120.300 0.106 0.000 2.453 121 Y HA 0.652 5.202 4.550 -0.000 0.000 0.247 121 Y C 0.635 176.603 175.900 0.113 0.000 1.124 121 Y CA 0.228 58.397 58.100 0.114 0.000 1.243 121 Y CB -0.046 38.387 38.460 -0.045 0.000 1.213 121 Y HN 0.087 nan 8.280 nan 0.000 0.523 122 S N -0.834 114.593 115.700 -0.456 0.000 2.757 122 S HA 0.875 5.345 4.470 -0.000 0.000 0.285 122 S C -0.133 174.279 174.600 -0.314 0.000 1.196 122 S CA -0.540 57.461 58.200 -0.331 0.000 0.856 122 S CB 1.386 64.307 63.200 -0.464 0.000 1.212 122 S HN 1.364 nan 8.310 nan 0.000 0.516 123 G N -0.355 108.246 108.800 -0.332 0.000 2.525 123 G HA2 0.418 4.378 3.960 -0.000 0.000 0.685 123 G HA3 0.418 4.378 3.960 -0.000 0.000 0.685 123 G C -0.851 173.451 174.900 -0.996 0.000 1.285 123 G CA -0.312 44.459 45.100 -0.549 0.000 0.849 123 G HN 1.529 nan 8.290 nan 0.000 0.653 124 S N -0.998 114.065 115.700 -1.062 0.000 2.607 124 S HA 0.777 5.247 4.470 -0.000 0.000 0.273 124 S C 0.880 175.227 174.600 -0.422 0.000 1.148 124 S CA 0.067 57.793 58.200 -0.789 0.000 0.833 124 S CB 1.797 64.772 63.200 -0.375 0.000 1.130 124 S HN 2.029 nan 8.310 nan 0.000 0.470 125 S N -0.725 114.966 115.700 -0.015 0.000 2.535 125 S HA 0.016 4.486 4.470 -0.000 0.000 0.214 125 S C 1.197 175.852 174.600 0.092 0.000 0.980 125 S CA 0.574 58.987 58.200 0.356 0.000 0.907 125 S CB -0.545 62.916 63.200 0.434 0.000 0.790 125 S HN 0.849 nan 8.310 nan 0.000 0.510 126 T N 0.254 114.650 114.554 -0.264 0.000 3.105 126 T HA 0.425 4.775 4.350 -0.000 0.000 0.253 126 T C 0.557 174.951 174.700 -0.511 0.000 1.047 126 T CA -0.540 61.092 62.100 -0.780 0.000 0.944 126 T CB -0.536 67.781 68.868 -0.917 0.000 1.016 126 T HN 0.298 nan 8.240 nan 0.000 0.544 127 L N 1.707 122.695 121.223 -0.392 0.000 2.492 127 L HA 0.141 4.481 4.340 -0.000 0.000 0.280 127 L C 1.455 178.081 176.870 -0.407 0.000 1.240 127 L CA -0.402 54.141 54.840 -0.496 0.000 0.831 127 L CB 0.313 41.851 42.059 -0.868 0.000 1.100 127 L HN 0.078 nan 8.230 nan 0.000 0.505 128 D N 0.542 120.717 120.400 -0.376 0.000 2.144 128 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 128 D C 1.928 178.043 176.300 -0.308 0.000 0.978 128 D CA 1.237 55.089 54.000 -0.247 0.000 0.833 128 D CB -0.019 40.648 40.800 -0.221 0.000 0.961 128 D HN 0.491 nan 8.370 nan 0.000 0.470 129 V N -1.170 118.432 119.914 -0.519 0.000 3.444 129 V HA -0.111 4.008 4.120 -0.000 0.000 0.271 129 V C 1.003 176.739 176.094 -0.597 0.000 1.188 129 V CA 0.935 62.937 62.300 -0.498 0.000 1.168 129 V CB -1.087 30.407 31.823 -0.549 0.000 0.810 129 V HN 0.063 nan 8.190 nan 0.000 0.500 130 Y N -0.308 119.546 120.300 -0.744 0.000 2.481 130 Y HA 0.433 4.983 4.550 -0.000 0.000 0.247 130 Y C 1.124 176.679 175.900 -0.575 0.000 1.151 130 Y CA -1.747 55.650 58.100 -1.171 0.000 1.238 130 Y CB -0.792 37.297 38.460 -0.618 0.000 1.179 130 Y HN 0.299 nan 8.280 nan 0.000 0.524 131 N N 1.690 120.298 118.700 -0.153 0.000 2.417 131 N HA -0.039 4.701 4.740 -0.000 0.000 0.272 131 N C 1.313 176.599 175.510 -0.373 0.000 1.304 131 N CA 0.773 53.762 53.050 -0.101 0.000 0.906 131 N CB 1.120 39.629 38.487 0.036 0.000 1.135 131 N HN 0.450 nan 8.380 nan 0.000 0.483 132 G N 3.370 111.384 108.800 -1.311 0.000 2.920 132 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.208 132 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.208 132 G C 1.410 175.631 174.900 -1.132 0.000 1.159 132 G CA 0.340 44.684 45.100 -1.261 0.000 0.784 132 G HN 0.773 nan 8.290 nan 0.000 0.535 133 K N -0.306 119.367 120.400 -1.211 0.000 2.152 133 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 133 K C 1.736 178.103 176.600 -0.388 0.000 1.048 133 K CA 1.208 57.122 56.287 -0.621 0.000 0.933 133 K CB -0.548 31.668 32.500 -0.474 0.000 0.721 133 K HN 0.404 nan 8.250 nan 0.000 0.447 134 Y N 0.958 121.184 120.300 -0.123 0.000 2.163 134 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 134 Y C 2.422 178.321 175.900 -0.001 0.000 1.136 134 Y CA 0.618 58.702 58.100 -0.027 0.000 1.147 134 Y CB -0.346 38.073 38.460 -0.068 0.000 0.987 134 Y HN 0.039 nan 8.280 nan 0.000 0.509 135 L N 0.483 121.734 121.223 0.046 0.000 2.072 135 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 135 L C 2.340 179.213 176.870 0.006 0.000 1.079 135 L CA 1.877 56.697 54.840 -0.033 0.000 0.752 135 L CB -1.157 40.787 42.059 -0.192 0.000 0.906 135 L HN 0.128 nan 8.230 nan 0.000 0.436 136 A N -1.250 121.581 122.820 0.019 0.000 1.902 136 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 136 A C 2.330 179.997 177.584 0.138 0.000 1.181 136 A CA 1.951 54.052 52.037 0.108 0.000 0.623 136 A CB -1.205 17.918 19.000 0.205 0.000 0.818 136 A HN 0.673 nan 8.150 nan 0.000 0.443 137 Y N 0.763 121.081 120.300 0.030 0.000 2.133 137 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 137 Y C 2.682 178.608 175.900 0.043 0.000 1.134 137 Y CA 2.388 60.514 58.100 0.043 0.000 1.133 137 Y CB -0.496 37.975 38.460 0.019 0.000 0.987 137 Y HN 0.283 nan 8.280 nan 0.000 0.502 138 T N 0.379 114.902 114.554 -0.051 0.000 2.746 138 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 138 T C 1.286 175.922 174.700 -0.107 0.000 1.039 138 T CA 1.649 63.667 62.100 -0.137 0.000 1.142 138 T CB -0.130 68.756 68.868 0.030 0.000 0.866 138 T HN 0.315 nan 8.240 nan 0.000 0.444 139 E N 0.445 120.623 120.200 -0.038 0.000 2.474 139 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 139 E C 0.203 176.797 176.600 -0.010 0.000 1.039 139 E CA -0.001 56.398 56.400 -0.002 0.000 0.881 139 E CB 0.074 29.781 29.700 0.011 0.000 0.970 139 E HN 0.548 nan 8.360 nan 0.000 0.486 140 E N 0.111 120.293 120.200 -0.030 0.000 2.271 140 E HA -0.172 4.178 4.350 -0.000 0.000 0.223 140 E C -0.565 176.057 176.600 0.036 0.000 1.223 140 E CA 0.404 56.803 56.400 -0.002 0.000 0.704 140 E CB -1.212 28.479 29.700 -0.016 0.000 1.194 140 E HN 0.129 nan 8.360 nan 0.000 0.375 141 V N -3.176 116.774 119.914 0.059 0.000 2.960 141 V HA 0.717 4.837 4.120 -0.000 0.000 0.315 141 V C 0.308 176.483 176.094 0.135 0.000 1.087 141 V CA -1.020 61.325 62.300 0.075 0.000 0.982 141 V CB 2.273 34.123 31.823 0.046 0.000 1.039 141 V HN -0.062 nan 8.190 nan 0.000 0.437 142 V N 4.152 124.153 119.914 0.146 0.000 2.368 142 V HA 0.337 4.457 4.120 -0.000 0.000 0.266 142 V C -0.061 176.171 176.094 0.229 0.000 1.045 142 V CA -0.099 62.321 62.300 0.201 0.000 0.899 142 V CB 0.792 32.718 31.823 0.173 0.000 1.006 142 V HN 0.756 nan 8.190 nan 0.000 0.470 143 L N 7.675 129.091 121.223 0.320 0.000 2.257 143 L HA 0.567 4.907 4.340 -0.000 0.000 0.290 143 L C -0.206 176.962 176.870 0.497 0.000 1.044 143 L CA 0.350 55.426 54.840 0.392 0.000 0.810 143 L CB 1.479 43.758 42.059 0.367 0.000 1.193 143 L HN 0.405 nan 8.230 nan 0.000 0.425 144 V N 3.763 123.925 119.914 0.413 0.000 2.547 144 V HA 0.539 4.659 4.120 -0.000 0.000 0.299 144 V C 0.058 176.414 176.094 0.437 0.000 1.040 144 V CA -0.545 61.965 62.300 0.349 0.000 0.913 144 V CB 1.712 33.656 31.823 0.201 0.000 0.992 144 V HN 0.804 nan 8.190 nan 0.000 0.449 145 S N 4.413 120.369 115.700 0.427 0.000 2.669 145 S HA 0.665 5.135 4.470 -0.000 0.000 0.315 145 S C -0.604 174.165 174.600 0.282 0.000 1.106 145 S CA -0.681 57.806 58.200 0.477 0.000 1.107 145 S CB 0.293 63.908 63.200 0.692 0.000 0.990 145 S HN 0.595 nan 8.310 nan 0.000 0.471 146 L N 3.454 124.782 121.223 0.175 0.000 2.544 146 L HA 0.993 5.333 4.340 -0.000 0.000 0.256 146 L C 0.048 177.039 176.870 0.201 0.000 1.097 146 L CA -0.531 54.350 54.840 0.069 0.000 0.812 146 L CB 0.629 42.604 42.059 -0.140 0.000 1.440 146 L HN 0.550 nan 8.230 nan 0.000 0.496 147 S N -1.526 114.339 115.700 0.275 0.000 2.607 147 S HA 0.876 5.346 4.470 -0.000 0.000 0.273 147 S C -1.308 173.560 174.600 0.447 0.000 1.148 147 S CA -0.497 57.945 58.200 0.404 0.000 0.833 147 S CB 1.463 64.950 63.200 0.478 0.000 1.130 147 S HN 1.298 nan 8.310 nan 0.000 0.470 148 Y N -1.653 118.786 120.300 0.232 0.000 2.592 148 Y HA 0.687 5.237 4.550 -0.000 0.000 0.334 148 Y C -0.815 175.228 175.900 0.239 0.000 1.136 148 Y CA -1.355 56.864 58.100 0.199 0.000 1.042 148 Y CB 0.707 39.233 38.460 0.110 0.000 1.325 148 Y HN 0.792 nan 8.280 nan 0.000 0.457 149 R N 1.962 122.587 120.500 0.209 0.000 2.537 149 R HA 0.511 4.851 4.340 -0.000 0.000 0.280 149 R C -0.113 176.316 176.300 0.215 0.000 1.058 149 R CA -0.071 56.101 56.100 0.119 0.000 1.057 149 R CB 0.809 31.149 30.300 0.068 0.000 0.973 149 R HN 0.698 nan 8.270 nan 0.000 0.438 150 V N 0.054 120.115 119.914 0.245 0.000 3.204 150 V HA 0.875 4.995 4.120 -0.000 0.000 0.316 150 V C 0.807 177.212 176.094 0.517 0.000 1.160 150 V CA -0.175 62.392 62.300 0.444 0.000 1.044 150 V CB 1.088 33.061 31.823 0.249 0.000 1.136 150 V HN 0.968 nan 8.190 nan 0.000 0.455 151 G N 0.329 109.475 108.800 0.576 0.000 2.578 151 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.275 151 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.275 151 G C 1.043 176.141 174.900 0.330 0.000 1.271 151 G CA 1.109 46.506 45.100 0.495 0.000 0.941 151 G HN 2.204 nan 8.290 nan 0.000 0.564 152 A N -1.313 121.420 122.820 -0.146 0.000 1.940 152 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 152 A C 2.257 179.718 177.584 -0.205 0.000 1.176 152 A CA 2.618 54.210 52.037 -0.741 0.000 0.631 152 A CB -0.553 17.800 19.000 -1.078 0.000 0.814 152 A HN 0.993 nan 8.150 nan 0.000 0.446 153 F N -0.001 119.990 119.950 0.068 0.000 2.202 153 F HA -0.067 4.460 4.527 -0.000 0.000 0.301 153 F C 2.403 178.190 175.800 -0.022 0.000 1.082 153 F CA 1.233 59.228 58.000 -0.009 0.000 1.313 153 F CB -0.546 38.412 39.000 -0.071 0.000 1.024 153 F HN 0.304 nan 8.300 nan 0.000 0.495 154 G N -2.668 106.206 108.800 0.123 0.000 2.944 154 G HA2 0.109 4.069 3.960 -0.000 0.000 0.220 154 G HA3 0.109 4.069 3.960 -0.000 0.000 0.220 154 G C 0.678 175.087 174.900 -0.818 0.000 1.100 154 G CA 0.051 44.977 45.100 -0.291 0.000 0.780 154 G HN 0.330 nan 8.290 nan 0.000 0.539 155 F N -0.374 119.665 119.950 0.147 0.000 2.899 155 F HA 0.417 4.943 4.527 -0.000 0.000 0.337 155 F C 0.322 176.181 175.800 0.098 0.000 1.129 155 F CA -1.022 57.046 58.000 0.113 0.000 1.128 155 F CB 0.419 39.499 39.000 0.132 0.000 1.154 155 F HN -0.074 nan 8.300 nan 0.000 0.531 156 L N 2.354 123.591 121.223 0.023 0.000 2.540 156 L HA 0.441 4.781 4.340 -0.000 0.000 0.276 156 L C 0.084 176.940 176.870 -0.023 0.000 1.212 156 L CA 0.292 55.034 54.840 -0.163 0.000 0.893 156 L CB 0.278 41.958 42.059 -0.631 0.000 1.138 156 L HN 0.162 nan 8.230 nan 0.000 0.491 157 A N 6.768 129.621 122.820 0.055 0.000 2.385 157 A HA 0.636 4.956 4.320 -0.000 0.000 0.290 157 A C -0.978 176.630 177.584 0.040 0.000 1.094 157 A CA -0.494 51.576 52.037 0.055 0.000 0.729 157 A CB 0.747 19.808 19.000 0.103 0.000 1.194 157 A HN 0.694 nan 8.150 nan 0.000 0.442 158 L N 3.600 124.835 121.223 0.021 0.000 2.435 158 L HA 0.257 4.597 4.340 -0.000 0.000 0.253 158 L C 0.019 176.933 176.870 0.073 0.000 1.087 158 L CA -0.812 54.043 54.840 0.025 0.000 0.950 158 L CB 0.398 42.438 42.059 -0.031 0.000 1.304 158 L HN 0.869 nan 8.230 nan 0.000 0.453 159 H N 1.895 120.968 119.070 0.005 0.000 3.140 159 H HA 0.224 4.780 4.556 -0.000 0.000 0.316 159 H C 1.089 176.423 175.328 0.011 0.000 0.986 159 H CA 1.522 57.579 56.048 0.015 0.000 1.397 159 H CB 0.748 30.522 29.762 0.020 0.000 1.377 159 H HN 0.712 nan 8.280 nan 0.000 0.585 160 G N 2.606 111.164 108.800 -0.404 0.000 2.491 160 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.203 160 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.203 160 G C 0.546 175.364 174.900 -0.138 0.000 1.052 160 G CA 0.165 45.085 45.100 -0.299 0.000 0.675 160 G HN 0.896 nan 8.290 nan 0.000 0.504 161 S N 0.256 115.913 115.700 -0.072 0.000 2.593 161 S HA 0.541 5.011 4.470 -0.000 0.000 0.269 161 S C 0.944 175.537 174.600 -0.012 0.000 1.334 161 S CA 0.640 58.822 58.200 -0.030 0.000 1.015 161 S CB 1.209 64.399 63.200 -0.016 0.000 0.912 161 S HN 0.318 nan 8.310 nan 0.000 0.541 162 Q N 1.019 120.821 119.800 0.003 0.000 2.189 162 Q HA 0.225 4.565 4.340 -0.000 0.000 0.223 162 Q C 0.591 176.612 176.000 0.036 0.000 0.828 162 Q CA -0.052 55.763 55.803 0.019 0.000 0.967 162 Q CB 0.608 29.355 28.738 0.014 0.000 1.139 162 Q HN 0.693 nan 8.270 nan 0.000 0.497 163 E N 0.296 120.520 120.200 0.039 0.000 2.307 163 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 163 E C 0.170 176.825 176.600 0.092 0.000 0.975 163 E CA 0.328 56.768 56.400 0.066 0.000 0.878 163 E CB 0.918 30.659 29.700 0.067 0.000 0.845 163 E HN 0.101 nan 8.360 nan 0.000 0.488 164 A N 1.894 124.745 122.820 0.051 0.000 3.307 164 A HA 0.280 4.600 4.320 -0.000 0.000 0.289 164 A C -2.131 175.466 177.584 0.021 0.000 1.138 164 A CA -0.812 51.246 52.037 0.035 0.000 0.860 164 A CB 0.645 19.585 19.000 -0.099 0.000 1.318 164 A HN -0.131 nan 8.150 nan 0.000 0.551 165 P HA 0.158 nan 4.420 nan 0.000 0.222 165 P C 0.898 178.255 177.300 0.096 0.000 1.153 165 P CA 1.798 64.946 63.100 0.079 0.000 0.798 165 P CB 0.285 32.033 31.700 0.080 0.000 0.796 166 G N 0.388 109.227 108.800 0.064 0.000 2.612 166 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 166 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 166 G C -0.255 174.665 174.900 0.033 0.000 1.274 166 G CA -0.311 44.831 45.100 0.070 0.000 0.849 166 G HN 0.101 nan 8.290 nan 0.000 0.595 167 N N -2.288 116.442 118.700 0.050 0.000 2.713 167 N HA -0.272 4.468 4.740 -0.000 0.000 0.251 167 N C 1.853 177.254 175.510 -0.181 0.000 1.117 167 N CA 2.366 55.383 53.050 -0.054 0.000 0.770 167 N CB -1.634 36.722 38.487 -0.219 0.000 1.137 167 N HN 1.899 nan 8.380 nan 0.000 0.566 168 V N -3.195 116.586 119.914 -0.222 0.000 2.809 168 V HA 0.075 4.195 4.120 -0.000 0.000 0.256 168 V C 2.231 178.196 176.094 -0.215 0.000 1.080 168 V CA 2.069 64.278 62.300 -0.153 0.000 1.102 168 V CB -0.651 31.121 31.823 -0.085 0.000 0.705 168 V HN 0.271 nan 8.190 nan 0.000 0.475 169 G N 0.476 108.924 108.800 -0.587 0.000 2.403 169 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 169 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 169 G C 1.508 176.431 174.900 0.038 0.000 1.154 169 G CA 0.990 45.887 45.100 -0.337 0.000 0.784 169 G HN 0.522 nan 8.290 nan 0.000 0.538 170 L N -0.116 121.104 121.223 -0.006 0.000 2.109 170 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 170 L C 2.821 179.783 176.870 0.153 0.000 1.086 170 L CA 0.399 55.224 54.840 -0.026 0.000 0.760 170 L CB -0.319 41.418 42.059 -0.537 0.000 0.910 170 L HN 0.168 nan 8.230 nan 0.000 0.437 171 L N -0.524 120.768 121.223 0.115 0.000 2.083 171 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 171 L C 2.161 179.130 176.870 0.166 0.000 1.083 171 L CA 0.925 55.881 54.840 0.193 0.000 0.752 171 L CB -0.640 41.503 42.059 0.139 0.000 0.899 171 L HN 0.260 nan 8.230 nan 0.000 0.433 172 D N -0.102 120.393 120.400 0.158 0.000 2.123 172 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 172 D C 2.323 178.745 176.300 0.203 0.000 0.992 172 D CA 1.158 55.313 54.000 0.259 0.000 0.833 172 D CB -0.134 40.843 40.800 0.294 0.000 0.954 172 D HN 0.402 nan 8.370 nan 0.000 0.455 173 Q N 0.000 119.860 119.800 0.099 0.000 2.050 173 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 173 Q C 2.273 178.188 176.000 -0.142 0.000 0.980 173 Q CA 0.923 56.689 55.803 -0.062 0.000 0.840 173 Q CB -0.062 28.649 28.738 -0.045 0.000 0.898 173 Q HN 0.196 nan 8.270 nan 0.000 0.424 174 R N 0.574 121.060 120.500 -0.023 0.000 2.105 174 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 174 R C 2.118 178.402 176.300 -0.027 0.000 1.135 174 R CA 1.466 57.534 56.100 -0.055 0.000 0.967 174 R CB -0.113 30.245 30.300 0.096 0.000 0.861 174 R HN 0.256 nan 8.270 nan 0.000 0.442 175 M N -0.255 119.368 119.600 0.038 0.000 2.254 175 M HA 0.005 4.484 4.480 -0.000 0.000 0.265 175 M C 1.969 178.269 176.300 -0.001 0.000 1.066 175 M CA 1.647 57.012 55.300 0.107 0.000 1.123 175 M CB 0.150 32.908 32.600 0.264 0.000 1.388 175 M HN 0.271 nan 8.290 nan 0.000 0.425 176 A N 0.080 122.669 122.820 -0.385 0.000 1.968 176 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 176 A C 1.969 179.436 177.584 -0.196 0.000 1.169 176 A CA 1.086 52.678 52.037 -0.742 0.000 0.638 176 A CB -0.786 17.485 19.000 -1.215 0.000 0.812 176 A HN 0.552 nan 8.150 nan 0.000 0.446 177 L N -1.090 120.047 121.223 -0.143 0.000 2.109 177 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 177 L C 2.766 179.675 176.870 0.064 0.000 1.086 177 L CA 1.524 56.338 54.840 -0.043 0.000 0.760 177 L CB -0.400 41.587 42.059 -0.121 0.000 0.910 177 L HN 0.483 nan 8.230 nan 0.000 0.437 178 Q N -0.329 119.504 119.800 0.054 0.000 2.167 178 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 178 Q C 1.982 178.079 176.000 0.160 0.000 0.970 178 Q CA 1.626 57.472 55.803 0.072 0.000 0.855 178 Q CB -0.364 28.401 28.738 0.045 0.000 0.911 178 Q HN 0.480 nan 8.270 nan 0.000 0.438 179 W N -0.913 120.397 121.300 0.017 0.000 2.409 179 W HA -0.084 4.576 4.660 -0.000 0.000 0.299 179 W C 1.708 178.259 176.519 0.054 0.000 1.203 179 W CA 1.405 58.781 57.345 0.051 0.000 1.298 179 W CB -0.016 29.464 29.460 0.034 0.000 1.127 179 W HN -0.015 nan 8.180 nan 0.000 0.528 180 V N 0.097 120.232 119.914 0.369 0.000 2.343 180 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 180 V C 2.504 178.638 176.094 0.066 0.000 1.051 180 V CA 2.292 64.738 62.300 0.243 0.000 1.036 180 V CB -1.241 30.696 31.823 0.190 0.000 0.654 180 V HN 0.337 nan 8.190 nan 0.000 0.451 181 H N 0.227 119.292 119.070 -0.008 0.000 2.421 181 H HA -0.151 4.404 4.556 -0.000 0.000 0.298 181 H C 1.745 176.997 175.328 -0.127 0.000 1.087 181 H CA 1.880 57.898 56.048 -0.051 0.000 1.330 181 H CB 0.142 29.890 29.762 -0.023 0.000 1.388 181 H HN 0.439 nan 8.280 nan 0.000 0.526 182 D N -0.514 119.856 120.400 -0.051 0.000 2.327 182 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 182 D C 1.069 177.186 176.300 -0.304 0.000 0.989 182 D CA 0.348 54.253 54.000 -0.159 0.000 0.873 182 D CB 0.170 40.902 40.800 -0.113 0.000 0.955 182 D HN 0.441 nan 8.370 nan 0.000 0.515 183 N N -0.078 118.360 118.700 -0.437 0.000 2.145 183 N HA 0.035 4.775 4.740 -0.000 0.000 0.219 183 N C 1.429 176.883 175.510 -0.094 0.000 1.266 183 N CA -0.154 52.702 53.050 -0.323 0.000 0.902 183 N CB 1.159 39.208 38.487 -0.729 0.000 1.078 183 N HN 0.007 nan 8.380 nan 0.000 0.513 184 I N 3.054 123.560 120.570 -0.107 0.000 2.454 184 I HA -0.239 3.931 4.170 -0.000 0.000 0.254 184 I C 2.543 178.671 176.117 0.020 0.000 1.156 184 I CA 1.376 62.728 61.300 0.087 0.000 1.433 184 I CB -0.171 37.846 38.000 0.028 0.000 1.082 184 I HN 0.191 nan 8.210 nan 0.000 0.432 185 Q N -0.846 118.766 119.800 -0.313 0.000 2.226 185 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 185 Q C 1.753 177.557 176.000 -0.326 0.000 0.975 185 Q CA 1.593 57.172 55.803 -0.375 0.000 0.866 185 Q CB -0.769 27.632 28.738 -0.563 0.000 0.915 185 Q HN 0.417 nan 8.270 nan 0.000 0.440 186 F N -0.289 119.625 119.950 -0.061 0.000 2.661 186 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 186 F C 0.871 176.428 175.800 -0.406 0.000 1.137 186 F CA 0.153 57.997 58.000 -0.261 0.000 1.454 186 F CB -0.068 38.679 39.000 -0.422 0.000 1.103 186 F HN -0.000 nan 8.300 nan 0.000 0.577 187 F N -0.607 119.357 119.950 0.022 0.000 2.664 187 F HA 0.448 4.975 4.527 -0.000 0.000 0.303 187 F C 1.748 177.565 175.800 0.028 0.000 1.092 187 F CA 0.193 58.180 58.000 -0.021 0.000 1.305 187 F CB -0.028 38.922 39.000 -0.083 0.000 1.054 187 F HN 0.027 nan 8.300 nan 0.000 0.565 188 G N 0.203 109.085 108.800 0.138 0.000 2.157 188 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.239 188 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.239 188 G C 0.533 175.481 174.900 0.080 0.000 0.982 188 G CA -0.297 44.860 45.100 0.095 0.000 0.650 188 G HN 0.726 nan 8.290 nan 0.000 0.527 189 G N -0.408 108.443 108.800 0.085 0.000 2.412 189 G HA2 0.523 4.483 3.960 -0.000 0.000 0.318 189 G HA3 0.523 4.483 3.960 -0.000 0.000 0.318 189 G C -0.806 174.084 174.900 -0.017 0.000 1.146 189 G CA 0.249 45.381 45.100 0.053 0.000 0.882 189 G HN 0.332 nan 8.290 nan 0.000 0.501 190 D N 1.584 121.971 120.400 -0.021 0.000 2.396 190 D HA 0.295 4.935 4.640 -0.000 0.000 0.225 190 D C -0.939 175.322 176.300 -0.066 0.000 1.121 190 D CA -2.328 51.637 54.000 -0.057 0.000 0.853 190 D CB 1.783 42.557 40.800 -0.043 0.000 1.043 190 D HN 0.071 nan 8.370 nan 0.000 0.500 191 P HA -0.155 nan 4.420 nan 0.000 0.223 191 P C 0.530 177.775 177.300 -0.091 0.000 1.144 191 P CA 0.877 63.889 63.100 -0.146 0.000 0.783 191 P CB 0.335 31.830 31.700 -0.343 0.000 0.771 192 K N -0.926 119.424 120.400 -0.083 0.000 2.426 192 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 192 K C 0.338 176.921 176.600 -0.029 0.000 1.028 192 K CA 0.643 56.901 56.287 -0.048 0.000 1.047 192 K CB 0.154 32.619 32.500 -0.058 0.000 0.821 192 K HN 0.041 nan 8.250 nan 0.000 0.513 193 T N 1.158 115.697 114.554 -0.024 0.000 3.514 193 T HA 0.161 4.511 4.350 -0.000 0.000 0.259 193 T C -0.967 173.738 174.700 0.008 0.000 1.466 193 T CA -0.261 61.826 62.100 -0.022 0.000 1.562 193 T CB 0.719 69.564 68.868 -0.039 0.000 0.924 193 T HN -0.147 nan 8.240 nan 0.000 0.678 194 V N 1.935 121.879 119.914 0.051 0.000 2.435 194 V HA 0.647 4.766 4.120 -0.000 0.000 0.290 194 V C -0.387 175.795 176.094 0.147 0.000 1.030 194 V CA -0.022 62.338 62.300 0.100 0.000 0.881 194 V CB 1.744 33.646 31.823 0.132 0.000 0.983 194 V HN 0.537 nan 8.190 nan 0.000 0.445 195 T N 8.195 122.829 114.554 0.133 0.000 2.797 195 T HA 0.552 4.902 4.350 -0.000 0.000 0.279 195 T C -0.239 174.594 174.700 0.220 0.000 0.991 195 T CA -0.162 62.034 62.100 0.160 0.000 0.979 195 T CB 0.898 69.805 68.868 0.064 0.000 0.943 195 T HN 0.732 nan 8.240 nan 0.000 0.444 196 I N 1.734 122.416 120.570 0.187 0.000 2.359 196 I HA 0.864 5.034 4.170 -0.000 0.000 0.294 196 I C -0.974 175.322 176.117 0.298 0.000 0.987 196 I CA -1.026 60.360 61.300 0.143 0.000 1.225 196 I CB 0.966 38.828 38.000 -0.231 0.000 1.366 196 I HN 0.497 nan 8.210 nan 0.000 0.466 197 F N 3.266 123.242 119.950 0.044 0.000 2.601 197 F HA 1.005 5.532 4.527 -0.000 0.000 0.309 197 F C -0.439 175.321 175.800 -0.067 0.000 1.089 197 F CA -1.265 56.790 58.000 0.091 0.000 0.940 197 F CB 1.343 40.508 39.000 0.276 0.000 1.273 197 F HN 0.815 nan 8.300 nan 0.000 0.450 198 G N 1.041 109.709 108.800 -0.220 0.000 2.623 198 G HA2 0.501 4.461 3.960 -0.000 0.000 0.290 198 G HA3 0.501 4.461 3.960 -0.000 0.000 0.290 198 G C -2.498 172.221 174.900 -0.302 0.000 1.437 198 G CA -0.799 43.808 45.100 -0.821 0.000 0.798 198 G HN 0.855 nan 8.290 nan 0.000 0.488 199 E N 0.277 120.279 120.200 -0.330 0.000 2.238 199 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 199 E C 0.660 177.221 176.600 -0.066 0.000 0.887 199 E CA 0.293 56.694 56.400 0.001 0.000 0.769 199 E CB 2.059 31.894 29.700 0.226 0.000 1.187 199 E HN 0.833 nan 8.360 nan 0.000 0.416 200 S N 2.853 118.574 115.700 0.035 0.000 4.114 200 S HA -0.393 4.077 4.470 -0.000 0.000 0.618 200 S C 1.482 176.160 174.600 0.130 0.000 1.937 200 S CA 2.160 60.449 58.200 0.148 0.000 4.228 200 S CB -1.641 61.596 63.200 0.061 0.000 0.216 200 S HN 0.988 nan 8.310 nan 0.000 0.528 201 A N 0.972 123.755 122.820 -0.062 0.000 1.978 201 A HA 0.111 4.431 4.320 -0.000 0.000 0.220 201 A C 2.445 179.751 177.584 -0.462 0.000 1.170 201 A CA 2.538 54.330 52.037 -0.408 0.000 0.636 201 A CB -1.529 16.910 19.000 -0.936 0.000 0.810 201 A HN 1.595 nan 8.150 nan 0.000 0.448 202 G N -0.867 107.735 108.800 -0.331 0.000 2.421 202 G HA2 0.111 4.071 3.960 -0.000 0.000 0.217 202 G HA3 0.111 4.071 3.960 -0.000 0.000 0.217 202 G C 1.440 176.160 174.900 -0.300 0.000 1.143 202 G CA 1.105 45.970 45.100 -0.393 0.000 0.784 202 G HN 0.667 nan 8.290 nan 0.000 0.541 203 G N 0.972 109.661 108.800 -0.185 0.000 2.403 203 G HA2 0.125 4.085 3.960 -0.000 0.000 0.216 203 G HA3 0.125 4.085 3.960 -0.000 0.000 0.216 203 G C 1.995 176.799 174.900 -0.161 0.000 1.154 203 G CA 1.361 46.388 45.100 -0.122 0.000 0.784 203 G HN 0.565 nan 8.290 nan 0.000 0.538 204 A N 0.984 123.727 122.820 -0.129 0.000 1.902 204 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 204 A C 2.699 180.208 177.584 -0.126 0.000 1.181 204 A CA 2.209 54.152 52.037 -0.157 0.000 0.623 204 A CB -0.644 18.308 19.000 -0.079 0.000 0.818 204 A HN 0.296 nan 8.150 nan 0.000 0.443 205 S N -0.312 115.330 115.700 -0.096 0.000 2.359 205 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 205 S C 1.915 176.360 174.600 -0.257 0.000 1.035 205 S CA 1.503 59.600 58.200 -0.171 0.000 1.018 205 S CB -0.642 62.425 63.200 -0.221 0.000 0.876 205 S HN 0.341 nan 8.310 nan 0.000 0.448 206 V N 1.692 121.504 119.914 -0.171 0.000 2.282 206 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 206 V C 2.602 178.624 176.094 -0.120 0.000 1.057 206 V CA 2.089 64.314 62.300 -0.125 0.000 1.032 206 V CB -1.475 30.275 31.823 -0.121 0.000 0.645 206 V HN 0.622 nan 8.190 nan 0.000 0.447 207 G N -1.458 107.223 108.800 -0.199 0.000 2.471 207 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 207 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 207 G C 1.557 176.410 174.900 -0.078 0.000 1.125 207 G CA 0.753 45.700 45.100 -0.256 0.000 0.775 207 G HN 0.459 nan 8.290 nan 0.000 0.548 208 M N -0.380 119.178 119.600 -0.070 0.000 2.288 208 M HA 0.082 4.562 4.480 -0.000 0.000 0.266 208 M C 2.163 178.537 176.300 0.122 0.000 1.072 208 M CA 0.706 56.079 55.300 0.122 0.000 1.132 208 M CB -0.077 32.585 32.600 0.104 0.000 1.386 208 M HN 0.168 nan 8.290 nan 0.000 0.432 209 H N -0.245 118.921 119.070 0.161 0.000 2.470 209 H HA 0.078 4.634 4.556 -0.000 0.000 0.289 209 H C 2.068 177.603 175.328 0.344 0.000 1.033 209 H CA 1.122 57.259 56.048 0.148 0.000 1.331 209 H CB -0.149 29.554 29.762 -0.099 0.000 1.414 209 H HN 0.387 nan 8.280 nan 0.000 0.545 210 I N 0.410 121.246 120.570 0.443 0.000 2.286 210 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 210 I C 2.218 178.590 176.117 0.424 0.000 1.115 210 I CA 0.925 62.544 61.300 0.532 0.000 1.392 210 I CB -0.034 38.192 38.000 0.376 0.000 1.065 210 I HN 0.118 nan 8.210 nan 0.000 0.418 211 L N -0.668 120.765 121.223 0.351 0.000 2.068 211 L HA -0.043 4.297 4.340 -0.000 0.000 0.204 211 L C 1.530 178.533 176.870 0.221 0.000 1.076 211 L CA 0.294 55.347 54.840 0.355 0.000 0.753 211 L CB -0.268 42.024 42.059 0.388 0.000 0.910 211 L HN 0.071 nan 8.230 nan 0.000 0.439 212 S N 0.225 115.974 115.700 0.082 0.000 2.509 212 S HA 0.057 4.527 4.470 -0.000 0.000 0.287 212 S C -1.483 173.015 174.600 -0.170 0.000 1.248 212 S CA -1.265 56.794 58.200 -0.234 0.000 1.089 212 S CB 0.777 63.411 63.200 -0.943 0.000 0.900 212 S HN -0.062 nan 8.310 nan 0.000 0.496 213 P HA -0.078 nan 4.420 nan 0.000 0.217 213 P C 1.396 178.617 177.300 -0.131 0.000 1.151 213 P CA 1.229 64.268 63.100 -0.101 0.000 0.849 213 P CB -0.087 31.560 31.700 -0.088 0.000 0.787 214 G N -1.699 106.969 108.800 -0.221 0.000 2.598 214 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.215 214 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.215 214 G C 1.363 176.180 174.900 -0.139 0.000 1.131 214 G CA 0.530 45.514 45.100 -0.193 0.000 0.785 214 G HN 0.235 nan 8.290 nan 0.000 0.539 215 S N -0.507 115.133 115.700 -0.099 0.000 2.514 215 S HA 0.130 4.600 4.470 -0.000 0.000 0.223 215 S C 2.170 176.907 174.600 0.228 0.000 1.046 215 S CA -0.410 57.841 58.200 0.085 0.000 0.914 215 S CB 0.243 63.586 63.200 0.239 0.000 0.807 215 S HN 0.322 nan 8.310 nan 0.000 0.497 216 R N 2.126 122.685 120.500 0.099 0.000 2.133 216 R HA -0.133 4.207 4.340 -0.000 0.000 0.245 216 R C 0.819 176.931 176.300 -0.313 0.000 1.137 216 R CA 1.809 57.843 56.100 -0.110 0.000 0.947 216 R CB -0.479 29.773 30.300 -0.080 0.000 0.865 216 R HN 0.324 nan 8.270 nan 0.000 0.437 217 D N 0.395 120.698 120.400 -0.162 0.000 2.363 217 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 217 D C 1.138 177.373 176.300 -0.108 0.000 1.020 217 D CA 0.696 54.603 54.000 -0.156 0.000 0.892 217 D CB 0.173 40.901 40.800 -0.120 0.000 0.900 217 D HN 0.290 nan 8.370 nan 0.000 0.531 218 L N -0.091 121.121 121.223 -0.018 0.000 2.628 218 L HA 0.163 4.503 4.340 -0.000 0.000 0.229 218 L C -0.155 176.902 176.870 0.311 0.000 1.137 218 L CA -0.128 54.778 54.840 0.109 0.000 0.909 218 L CB -0.097 42.016 42.059 0.090 0.000 1.137 218 L HN -0.085 nan 8.230 nan 0.000 0.470 219 F N -4.475 115.492 119.950 0.029 0.000 2.713 219 F HA 0.555 5.081 4.527 -0.000 0.000 0.311 219 F C 0.314 176.140 175.800 0.044 0.000 1.141 219 F CA -1.389 56.636 58.000 0.042 0.000 0.939 219 F CB 1.104 40.127 39.000 0.039 0.000 1.325 219 F HN -0.384 nan 8.300 nan 0.000 0.453 220 R N 0.846 121.416 120.500 0.116 0.000 2.074 220 R HA 0.467 4.807 4.340 -0.000 0.000 0.218 220 R C -0.119 176.212 176.300 0.051 0.000 1.137 220 R CA 1.108 57.207 56.100 -0.002 0.000 0.998 220 R CB 0.251 30.551 30.300 0.000 0.000 0.895 220 R HN 0.799 nan 8.270 nan 0.000 0.442 221 R N -1.333 119.286 120.500 0.200 0.000 2.855 221 R HA 0.746 5.086 4.340 -0.000 0.000 0.266 221 R C -1.479 175.065 176.300 0.407 0.000 1.034 221 R CA -0.700 55.541 56.100 0.236 0.000 0.944 221 R CB 2.191 32.471 30.300 -0.033 0.000 1.219 221 R HN 0.204 nan 8.270 nan 0.000 0.474 222 A N 1.508 124.567 122.820 0.398 0.000 2.414 222 A HA 0.726 5.046 4.320 -0.000 0.000 0.306 222 A C -1.005 176.704 177.584 0.209 0.000 1.054 222 A CA -0.673 51.535 52.037 0.285 0.000 0.724 222 A CB 1.164 20.305 19.000 0.235 0.000 1.267 222 A HN 0.584 nan 8.150 nan 0.000 0.418 223 I N 2.102 122.754 120.570 0.137 0.000 2.447 223 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 223 I C -1.471 174.699 176.117 0.087 0.000 1.023 223 I CA -0.586 60.720 61.300 0.010 0.000 1.083 223 I CB 1.817 39.772 38.000 -0.075 0.000 1.245 223 I HN 0.396 nan 8.210 nan 0.000 0.434 224 L N 6.750 127.993 121.223 0.033 0.000 2.298 224 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 224 L C -0.301 176.650 176.870 0.135 0.000 1.013 224 L CA -0.212 54.654 54.840 0.042 0.000 0.824 224 L CB 1.327 43.348 42.059 -0.064 0.000 1.221 224 L HN 0.497 nan 8.230 nan 0.000 0.418 225 Q N 1.990 121.921 119.800 0.218 0.000 2.347 225 Q HA 0.441 4.781 4.340 -0.000 0.000 0.262 225 Q C 0.108 176.229 176.000 0.202 0.000 0.980 225 Q CA -0.536 55.465 55.803 0.330 0.000 0.867 225 Q CB 1.374 30.405 28.738 0.488 0.000 1.242 225 Q HN 0.644 nan 8.270 nan 0.000 0.453 226 S N 1.070 116.874 115.700 0.174 0.000 3.614 226 S HA -0.170 4.300 4.470 -0.000 0.000 0.360 226 S C 0.022 174.754 174.600 0.220 0.000 1.023 226 S CA 0.611 58.922 58.200 0.184 0.000 1.114 226 S CB -1.113 62.202 63.200 0.192 0.000 0.907 226 S HN 0.986 nan 8.310 nan 0.000 0.470 227 G N -0.425 108.450 108.800 0.124 0.000 2.556 227 G HA2 0.611 4.571 3.960 -0.000 0.000 0.294 227 G HA3 0.611 4.571 3.960 -0.000 0.000 0.294 227 G C -1.032 173.806 174.900 -0.104 0.000 1.516 227 G CA 0.130 45.298 45.100 0.115 0.000 0.824 227 G HN 1.077 nan 8.290 nan 0.000 0.535 228 S N 0.841 116.396 115.700 -0.241 0.000 2.570 228 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 228 S C -2.101 172.194 174.600 -0.509 0.000 1.149 228 S CA -1.103 56.808 58.200 -0.482 0.000 0.837 228 S CB 2.908 65.811 63.200 -0.494 0.000 1.124 228 S HN 0.444 nan 8.310 nan 0.000 0.465 229 P HA -0.169 nan 4.420 nan 0.000 0.217 229 P C 0.679 177.738 177.300 -0.401 0.000 1.148 229 P CA 1.494 64.348 63.100 -0.411 0.000 0.828 229 P CB -0.325 31.179 31.700 -0.327 0.000 0.783 230 N N -0.741 117.747 118.700 -0.353 0.000 2.449 230 N HA -0.028 4.712 4.740 -0.000 0.000 0.191 230 N C -0.005 175.260 175.510 -0.408 0.000 1.161 230 N CA -0.125 52.751 53.050 -0.290 0.000 0.863 230 N CB -1.316 37.121 38.487 -0.083 0.000 0.980 230 N HN 0.046 nan 8.380 nan 0.000 0.458 231 C N 3.136 122.074 119.300 -0.603 0.000 2.642 231 C HA 0.091 4.551 4.460 -0.000 0.000 0.420 231 C C -0.153 174.322 174.990 -0.858 0.000 1.349 231 C CA -0.974 57.531 59.018 -0.855 0.000 1.821 231 C CB 1.017 27.887 27.740 -1.451 0.000 2.637 231 C HN 0.360 nan 8.230 nan 0.000 0.605 232 P HA -0.140 nan 4.420 nan 0.000 0.218 232 P C 1.080 178.164 177.300 -0.359 0.000 1.146 232 P CA 1.934 64.739 63.100 -0.493 0.000 0.813 232 P CB -0.080 31.326 31.700 -0.490 0.000 0.778 233 W N -1.818 119.344 121.300 -0.230 0.000 3.220 233 W HA 0.623 5.283 4.660 -0.000 0.000 0.328 233 W C 0.927 177.485 176.519 0.065 0.000 1.205 233 W CA 0.262 57.550 57.345 -0.095 0.000 1.773 233 W CB -0.846 28.582 29.460 -0.054 0.000 1.086 233 W HN -0.112 nan 8.180 nan 0.000 0.622 234 A N 1.328 123.811 122.820 -0.562 0.000 2.238 234 A HA 0.277 4.597 4.320 -0.000 0.000 0.210 234 A C 0.908 178.312 177.584 -0.301 0.000 1.179 234 A CA 0.960 52.777 52.037 -0.366 0.000 0.827 234 A CB -0.438 18.115 19.000 -0.744 0.000 0.856 234 A HN 0.220 nan 8.150 nan 0.000 0.488 235 S N -1.904 113.621 115.700 -0.293 0.000 2.611 235 S HA 0.644 5.114 4.470 -0.000 0.000 0.268 235 S C -0.849 173.617 174.600 -0.223 0.000 1.156 235 S CA -0.073 57.947 58.200 -0.301 0.000 0.817 235 S CB 1.104 64.067 63.200 -0.395 0.000 1.122 235 S HN 1.372 nan 8.310 nan 0.000 0.466 236 V N -1.288 118.510 119.914 -0.193 0.000 3.202 236 V HA 0.945 5.064 4.120 -0.000 0.000 0.306 236 V C 0.062 176.077 176.094 -0.132 0.000 1.283 236 V CA -0.454 61.757 62.300 -0.148 0.000 1.065 236 V CB 1.034 32.785 31.823 -0.121 0.000 1.079 236 V HN 1.597 nan 8.190 nan 0.000 0.448 237 S N 0.217 115.852 115.700 -0.108 0.000 2.632 237 S HA 0.456 4.925 4.470 -0.000 0.000 0.267 237 S C 1.274 175.827 174.600 -0.078 0.000 1.276 237 S CA -0.009 58.135 58.200 -0.094 0.000 0.998 237 S CB 1.315 64.470 63.200 -0.075 0.000 0.953 237 S HN 2.128 nan 8.310 nan 0.000 0.547 238 V N -0.884 118.977 119.914 -0.089 0.000 2.407 238 V HA -0.043 4.077 4.120 -0.000 0.000 0.248 238 V C 2.577 178.661 176.094 -0.016 0.000 1.055 238 V CA 1.776 64.035 62.300 -0.067 0.000 1.049 238 V CB -2.100 29.642 31.823 -0.136 0.000 0.662 238 V HN 1.010 nan 8.190 nan 0.000 0.455 239 A N 0.780 123.587 122.820 -0.023 0.000 1.851 239 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 239 A C 2.238 179.805 177.584 -0.028 0.000 1.195 239 A CA 2.286 54.314 52.037 -0.014 0.000 0.622 239 A CB -0.843 18.147 19.000 -0.017 0.000 0.831 239 A HN 0.630 nan 8.150 nan 0.000 0.444 240 E N 0.081 120.252 120.200 -0.048 0.000 2.110 240 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 240 E C 1.958 178.516 176.600 -0.070 0.000 0.988 240 E CA 1.652 58.010 56.400 -0.071 0.000 0.804 240 E CB -0.873 28.774 29.700 -0.088 0.000 0.745 240 E HN 0.418 nan 8.360 nan 0.000 0.458 241 G N 0.629 109.402 108.800 -0.046 0.000 2.421 241 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.216 241 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.216 241 G C 1.754 176.665 174.900 0.017 0.000 1.171 241 G CA 0.874 45.967 45.100 -0.011 0.000 0.775 241 G HN 0.344 nan 8.290 nan 0.000 0.543 242 R N 0.279 120.788 120.500 0.015 0.000 2.073 242 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 242 R C 2.572 178.873 176.300 0.002 0.000 1.134 242 R CA 1.539 57.649 56.100 0.018 0.000 0.952 242 R CB -0.403 29.911 30.300 0.023 0.000 0.850 242 R HN 0.310 nan 8.270 nan 0.000 0.433 243 R N 0.385 120.875 120.500 -0.018 0.000 2.096 243 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 243 R C 2.324 178.601 176.300 -0.038 0.000 1.139 243 R CA 2.052 58.132 56.100 -0.033 0.000 0.952 243 R CB -0.133 30.134 30.300 -0.055 0.000 0.854 243 R HN 0.295 nan 8.270 nan 0.000 0.436 244 R N -0.367 120.097 120.500 -0.061 0.000 2.115 244 R HA -0.068 4.271 4.340 -0.000 0.000 0.230 244 R C 2.309 178.651 176.300 0.070 0.000 1.111 244 R CA 1.151 57.198 56.100 -0.089 0.000 0.976 244 R CB -0.262 29.872 30.300 -0.276 0.000 0.870 244 R HN 0.267 nan 8.270 nan 0.000 0.445 245 A N 0.770 123.660 122.820 0.117 0.000 1.858 245 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 245 A C 2.345 179.946 177.584 0.029 0.000 1.190 245 A CA 1.419 53.525 52.037 0.116 0.000 0.617 245 A CB -0.573 18.442 19.000 0.025 0.000 0.827 245 A HN 0.106 nan 8.150 nan 0.000 0.443 246 V N 0.103 120.022 119.914 0.008 0.000 2.343 246 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 246 V C 2.560 178.657 176.094 0.004 0.000 1.051 246 V CA 2.349 64.646 62.300 -0.004 0.000 1.036 246 V CB -0.756 31.063 31.823 -0.007 0.000 0.654 246 V HN 0.700 nan 8.190 nan 0.000 0.451 247 E N 0.277 120.481 120.200 0.007 0.000 2.204 247 E HA -0.208 4.141 4.350 -0.000 0.000 0.195 247 E C 1.859 178.477 176.600 0.031 0.000 0.990 247 E CA 0.960 57.364 56.400 0.006 0.000 0.821 247 E CB -0.338 29.351 29.700 -0.019 0.000 0.750 247 E HN 0.467 nan 8.360 nan 0.000 0.477 248 L N -0.503 120.760 121.223 0.066 0.000 2.056 248 L HA 0.097 4.436 4.340 -0.000 0.000 0.207 248 L C 2.082 178.970 176.870 0.029 0.000 1.078 248 L CA 2.208 57.099 54.840 0.084 0.000 0.749 248 L CB -0.951 41.189 42.059 0.134 0.000 0.901 248 L HN 0.209 nan 8.230 nan 0.000 0.433 249 G N -0.965 107.839 108.800 0.007 0.000 2.433 249 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 249 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 249 G C 1.786 176.693 174.900 0.011 0.000 1.186 249 G CA 0.688 45.788 45.100 -0.002 0.000 0.779 249 G HN 0.330 nan 8.290 nan 0.000 0.543 250 R N 0.154 120.661 120.500 0.012 0.000 2.113 250 R HA -0.122 4.218 4.340 -0.000 0.000 0.244 250 R C 2.440 178.752 176.300 0.021 0.000 1.142 250 R CA 1.530 57.639 56.100 0.014 0.000 0.953 250 R CB -0.314 29.992 30.300 0.010 0.000 0.860 250 R HN 0.300 nan 8.270 nan 0.000 0.438 251 N N 0.382 119.098 118.700 0.027 0.000 2.272 251 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 251 N C 1.068 176.600 175.510 0.037 0.000 1.014 251 N CA 1.103 54.175 53.050 0.035 0.000 0.870 251 N CB 0.078 38.593 38.487 0.047 0.000 0.975 251 N HN 0.246 nan 8.380 nan 0.000 0.433 252 L N 0.619 121.861 121.223 0.031 0.000 2.818 252 L HA 0.217 4.557 4.340 -0.000 0.000 0.243 252 L C -0.315 176.572 176.870 0.027 0.000 1.185 252 L CA -0.193 54.666 54.840 0.031 0.000 0.988 252 L CB -0.078 41.999 42.059 0.029 0.000 1.292 252 L HN -0.019 nan 8.230 nan 0.000 0.519 253 N N 0.036 118.751 118.700 0.025 0.000 2.681 253 N HA -0.172 4.568 4.740 -0.000 0.000 0.259 253 N C -0.536 174.988 175.510 0.024 0.000 1.066 253 N CA 0.503 53.567 53.050 0.023 0.000 0.717 253 N CB -1.428 37.074 38.487 0.025 0.000 0.885 253 N HN 0.274 nan 8.380 nan 0.000 0.547 254 c N 0.744 119.357 118.600 0.021 0.000 2.399 254 c HA 0.340 4.910 4.570 -0.000 0.000 0.348 254 c C 1.150 175.253 174.090 0.023 0.000 1.183 254 c CA -0.996 55.347 56.329 0.024 0.000 2.023 254 c CB 1.549 44.069 42.510 0.017 0.000 2.361 254 c HN 0.466 nan 8.230 nan 0.000 0.521 255 N N 1.893 120.612 118.700 0.030 0.000 2.431 255 N HA 0.110 4.850 4.740 -0.000 0.000 0.265 255 N C 0.005 175.526 175.510 0.018 0.000 1.184 255 N CA 0.258 53.323 53.050 0.025 0.000 0.943 255 N CB 0.416 38.922 38.487 0.032 0.000 1.080 255 N HN 0.607 nan 8.380 nan 0.000 0.477 256 L N 3.039 124.269 121.223 0.012 0.000 2.741 256 L HA 0.176 4.516 4.340 -0.000 0.000 0.237 256 L C 1.341 178.214 176.870 0.004 0.000 1.178 256 L CA -0.301 54.543 54.840 0.006 0.000 0.973 256 L CB -0.194 41.867 42.059 0.004 0.000 1.255 256 L HN 0.416 nan 8.230 nan 0.000 0.498 257 N N 0.494 119.197 118.700 0.006 0.000 2.216 257 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 257 N C 0.815 176.326 175.510 0.001 0.000 1.017 257 N CA 0.909 53.961 53.050 0.003 0.000 0.861 257 N CB 0.241 38.730 38.487 0.004 0.000 0.986 257 N HN 0.427 nan 8.380 nan 0.000 0.428 258 S N -0.990 114.711 115.700 0.002 0.000 2.579 258 S HA 0.346 4.816 4.470 -0.000 0.000 0.272 258 S C -0.053 174.547 174.600 -0.000 0.000 1.141 258 S CA -0.856 57.344 58.200 -0.001 0.000 0.843 258 S CB 2.200 65.399 63.200 -0.001 0.000 1.122 258 S HN -0.206 nan 8.310 nan 0.000 0.468 259 D N 1.254 121.650 120.400 -0.005 0.000 2.182 259 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 259 D C 1.430 177.733 176.300 0.004 0.000 0.986 259 D CA 1.616 55.610 54.000 -0.011 0.000 0.847 259 D CB -0.124 40.666 40.800 -0.016 0.000 0.942 259 D HN 0.702 nan 8.370 nan 0.000 0.467 260 E N 0.872 121.080 120.200 0.013 0.000 2.051 260 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 260 E C 2.074 178.712 176.600 0.063 0.000 0.991 260 E CA 0.940 57.359 56.400 0.033 0.000 0.799 260 E CB -0.129 29.578 29.700 0.013 0.000 0.748 260 E HN 0.435 nan 8.360 nan 0.000 0.449 261 E N 0.097 120.322 120.200 0.042 0.000 2.072 261 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 261 E C 2.082 178.731 176.600 0.081 0.000 0.985 261 E CA 0.735 57.173 56.400 0.064 0.000 0.801 261 E CB -0.156 29.562 29.700 0.031 0.000 0.750 261 E HN 0.101 nan 8.360 nan 0.000 0.452 262 L N 1.457 122.703 121.223 0.037 0.000 2.017 262 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 262 L C 2.071 178.943 176.870 0.004 0.000 1.073 262 L CA 1.638 56.484 54.840 0.010 0.000 0.745 262 L CB -0.365 41.682 42.059 -0.021 0.000 0.894 262 L HN 0.089 nan 8.230 nan 0.000 0.432 263 I N -0.910 119.664 120.570 0.007 0.000 2.202 263 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 263 I C 2.638 178.819 176.117 0.105 0.000 1.091 263 I CA 1.558 62.868 61.300 0.015 0.000 1.368 263 I CB -0.760 37.257 38.000 0.028 0.000 1.058 263 I HN 0.478 nan 8.210 nan 0.000 0.410 264 H N 0.503 119.601 119.070 0.047 0.000 2.387 264 H HA -0.274 4.282 4.556 -0.000 0.000 0.299 264 H C 2.423 177.785 175.328 0.056 0.000 1.099 264 H CA 2.214 58.294 56.048 0.054 0.000 1.315 264 H CB -0.083 29.699 29.762 0.034 0.000 1.380 264 H HN 0.501 nan 8.280 nan 0.000 0.513 265 c N 0.685 119.314 118.600 0.048 0.000 2.453 265 c HA -0.072 4.498 4.570 -0.000 0.000 0.277 265 c C 3.040 177.122 174.090 -0.014 0.000 1.262 265 c CA 0.701 57.035 56.329 0.009 0.000 1.718 265 c CB -1.345 41.197 42.510 0.053 0.000 2.031 265 c HN 0.562 nan 8.230 nan 0.000 0.480 266 L N 0.322 121.564 121.223 0.031 0.000 2.131 266 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 266 L C 2.907 179.867 176.870 0.150 0.000 1.092 266 L CA 1.484 56.383 54.840 0.098 0.000 0.759 266 L CB -0.649 41.464 42.059 0.090 0.000 0.903 266 L HN 0.340 nan 8.230 nan 0.000 0.435 267 R N -0.408 120.153 120.500 0.102 0.000 2.235 267 R HA -0.076 4.264 4.340 -0.000 0.000 0.213 267 R C 1.824 178.075 176.300 -0.082 0.000 1.059 267 R CA 0.484 56.580 56.100 -0.005 0.000 0.997 267 R CB 0.006 30.290 30.300 -0.026 0.000 0.884 267 R HN 0.326 nan 8.270 nan 0.000 0.462 268 E N 0.673 120.803 120.200 -0.116 0.000 2.299 268 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 268 E C 0.145 176.725 176.600 -0.033 0.000 0.998 268 E CA 0.608 56.946 56.400 -0.103 0.000 0.851 268 E CB 0.255 29.874 29.700 -0.135 0.000 0.795 268 E HN 0.086 nan 8.360 nan 0.000 0.492 269 K N 1.752 122.148 120.400 -0.006 0.000 2.237 269 K HA 0.183 4.503 4.320 -0.000 0.000 0.270 269 K C 0.375 176.999 176.600 0.041 0.000 1.015 269 K CA -0.104 56.196 56.287 0.023 0.000 0.949 269 K CB 0.818 33.340 32.500 0.036 0.000 0.976 269 K HN -0.087 nan 8.250 nan 0.000 0.472 270 K N 2.249 122.680 120.400 0.051 0.000 2.258 270 K HA 0.051 4.371 4.320 -0.000 0.000 0.264 270 K C -1.598 175.079 176.600 0.128 0.000 1.007 270 K CA -1.471 54.855 56.287 0.065 0.000 0.941 270 K CB 0.084 32.614 32.500 0.049 0.000 0.966 270 K HN 0.178 nan 8.250 nan 0.000 0.480 271 P HA -0.252 nan 4.420 nan 0.000 0.215 271 P C 1.147 178.653 177.300 0.343 0.000 1.163 271 P CA 1.283 64.593 63.100 0.349 0.000 0.894 271 P CB 0.219 31.947 31.700 0.047 0.000 0.791 272 Q N -0.007 119.901 119.800 0.180 0.000 2.297 272 Q HA -0.200 4.140 4.340 -0.000 0.000 0.208 272 Q C 1.875 177.968 176.000 0.155 0.000 0.981 272 Q CA 1.624 57.522 55.803 0.159 0.000 0.876 272 Q CB -0.794 28.002 28.738 0.097 0.000 0.921 272 Q HN 0.374 nan 8.270 nan 0.000 0.446 273 E N -1.059 119.221 120.200 0.133 0.000 2.107 273 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 273 E C 1.523 178.185 176.600 0.103 0.000 0.982 273 E CA 0.797 57.259 56.400 0.103 0.000 0.809 273 E CB 0.029 29.775 29.700 0.077 0.000 0.756 273 E HN 0.241 nan 8.360 nan 0.000 0.459 274 L N 0.600 121.885 121.223 0.104 0.000 2.109 274 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 274 L C 2.114 179.037 176.870 0.088 0.000 1.086 274 L CA 1.343 56.201 54.840 0.031 0.000 0.760 274 L CB -0.306 41.667 42.059 -0.144 0.000 0.910 274 L HN 0.150 nan 8.230 nan 0.000 0.437 275 I N -0.829 119.857 120.570 0.193 0.000 2.286 275 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 275 I C 1.688 177.959 176.117 0.256 0.000 1.104 275 I CA 0.840 62.294 61.300 0.256 0.000 1.397 275 I CB -0.409 37.791 38.000 0.332 0.000 1.072 275 I HN 0.185 nan 8.210 nan 0.000 0.417 276 D N 0.606 121.135 120.400 0.215 0.000 2.354 276 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 276 D C 1.754 178.174 176.300 0.200 0.000 0.970 276 D CA 1.298 55.424 54.000 0.210 0.000 0.905 276 D CB 0.169 41.059 40.800 0.150 0.000 0.903 276 D HN 0.407 nan 8.370 nan 0.000 0.508 277 V N -3.398 116.618 119.914 0.171 0.000 3.398 277 V HA 0.196 4.316 4.120 -0.000 0.000 0.298 277 V C 1.726 177.902 176.094 0.137 0.000 1.496 277 V CA -0.193 62.196 62.300 0.148 0.000 1.044 277 V CB 0.484 32.371 31.823 0.106 0.000 0.880 277 V HN -0.120 nan 8.190 nan 0.000 0.443 278 E N 0.929 121.200 120.200 0.118 0.000 2.086 278 E HA -0.287 4.063 4.350 -0.000 0.000 0.205 278 E C 1.550 178.064 176.600 -0.143 0.000 1.027 278 E CA 2.907 59.314 56.400 0.011 0.000 0.830 278 E CB -0.232 29.379 29.700 -0.148 0.000 0.751 278 E HN 0.826 nan 8.360 nan 0.000 0.456 279 W N 0.775 122.081 121.300 0.010 0.000 2.699 279 W HA -0.001 4.659 4.660 -0.000 0.000 0.249 279 W C 1.737 178.224 176.519 -0.053 0.000 1.280 279 W CA 0.092 57.397 57.345 -0.067 0.000 1.345 279 W CB -0.067 29.322 29.460 -0.118 0.000 1.128 279 W HN 0.097 nan 8.180 nan 0.000 0.642 280 N N 0.327 119.117 118.700 0.150 0.000 2.550 280 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 280 N C 1.712 177.231 175.510 0.015 0.000 1.110 280 N CA 1.431 54.531 53.050 0.085 0.000 0.912 280 N CB -0.466 38.069 38.487 0.080 0.000 0.968 280 N HN 0.279 nan 8.380 nan 0.000 0.448 281 V N -2.098 117.792 119.914 -0.039 0.000 3.649 281 V HA 0.218 4.338 4.120 -0.000 0.000 0.275 281 V C 0.914 176.905 176.094 -0.171 0.000 1.281 281 V CA -0.050 62.184 62.300 -0.111 0.000 1.143 281 V CB -0.599 31.125 31.823 -0.165 0.000 0.892 281 V HN -0.010 nan 8.190 nan 0.000 0.441 282 L N 1.148 122.289 121.223 -0.136 0.000 2.483 282 L HA 0.165 4.505 4.340 -0.000 0.000 0.276 282 L C -0.684 176.050 176.870 -0.226 0.000 1.213 282 L CA -0.817 53.928 54.840 -0.159 0.000 0.843 282 L CB 0.432 42.463 42.059 -0.048 0.000 1.107 282 L HN 0.131 nan 8.230 nan 0.000 0.487 283 P HA -0.043 nan 4.420 nan 0.000 0.216 283 P C -0.694 176.115 177.300 -0.817 0.000 1.153 283 P CA 1.249 63.884 63.100 -0.774 0.000 0.844 283 P CB 0.280 31.234 31.700 -1.243 0.000 0.787 284 F N -2.143 117.809 119.950 0.004 0.000 2.640 284 F HA 0.379 4.906 4.527 -0.000 0.000 0.324 284 F C -0.001 175.807 175.800 0.014 0.000 1.077 284 F CA -1.574 56.433 58.000 0.011 0.000 0.965 284 F CB -0.039 38.972 39.000 0.018 0.000 1.351 284 F HN -0.455 nan 8.300 nan 0.000 0.487 285 D N 0.893 121.427 120.400 0.224 0.000 2.425 285 D HA 0.474 5.114 4.640 -0.000 0.000 0.247 285 D C -0.394 175.985 176.300 0.132 0.000 1.147 285 D CA 0.647 54.721 54.000 0.124 0.000 0.879 285 D CB 0.750 41.602 40.800 0.086 0.000 1.179 285 D HN 0.722 nan 8.370 nan 0.000 0.456 286 S N 0.873 116.628 115.700 0.091 0.000 2.636 286 S HA 0.664 5.133 4.470 -0.000 0.000 0.266 286 S C -1.037 173.587 174.600 0.040 0.000 1.147 286 S CA -1.127 57.122 58.200 0.081 0.000 0.815 286 S CB 0.522 63.799 63.200 0.128 0.000 1.119 286 S HN 0.486 nan 8.310 nan 0.000 0.470 287 I N -2.748 117.848 120.570 0.043 0.000 2.689 287 I HA 0.837 5.007 4.170 -0.000 0.000 0.299 287 I C -0.584 175.555 176.117 0.038 0.000 1.059 287 I CA -1.007 60.319 61.300 0.044 0.000 1.055 287 I CB 1.485 39.535 38.000 0.084 0.000 1.243 287 I HN 0.814 nan 8.210 nan 0.000 0.425 288 F N 3.021 122.817 119.950 -0.257 0.000 3.030 288 F HA -0.155 4.372 4.527 -0.000 0.000 0.309 288 F C -0.551 174.762 175.800 -0.812 0.000 0.941 288 F CA 0.501 58.100 58.000 -0.669 0.000 1.082 288 F CB -0.564 38.005 39.000 -0.719 0.000 1.113 288 F HN 0.668 nan 8.300 nan 0.000 0.716 289 R N 0.909 120.966 120.500 -0.739 0.000 2.533 289 R HA 0.535 4.875 4.340 -0.000 0.000 0.288 289 R C -1.154 174.770 176.300 -0.627 0.000 1.039 289 R CA -0.517 55.255 56.100 -0.547 0.000 0.909 289 R CB 1.174 31.399 30.300 -0.124 0.000 1.195 289 R HN -0.005 nan 8.270 nan 0.000 0.438 290 F N -0.200 119.865 119.950 0.191 0.000 2.532 290 F HA 0.378 4.904 4.527 -0.000 0.000 0.321 290 F C 1.651 177.382 175.800 -0.116 0.000 1.089 290 F CA -0.813 57.217 58.000 0.051 0.000 0.926 290 F CB 1.737 40.882 39.000 0.242 0.000 1.168 290 F HN 0.352 nan 8.300 nan 0.000 0.459 291 S N 1.012 116.584 115.700 -0.213 0.000 2.354 291 S HA -0.124 4.346 4.470 -0.000 0.000 0.219 291 S C 0.181 174.402 174.600 -0.631 0.000 1.035 291 S CA 1.345 59.238 58.200 -0.511 0.000 1.037 291 S CB -0.310 62.448 63.200 -0.736 0.000 0.956 291 S HN 0.352 nan 8.310 nan 0.000 0.428 292 F N 1.593 121.554 119.950 0.019 0.000 2.361 292 F HA 0.573 5.100 4.527 -0.000 0.000 0.364 292 F C 0.144 175.979 175.800 0.058 0.000 1.117 292 F CA -0.865 57.183 58.000 0.080 0.000 1.071 292 F CB 1.121 40.203 39.000 0.137 0.000 1.188 292 F HN -0.029 nan 8.300 nan 0.000 0.464 293 V N 1.038 120.957 119.914 0.007 0.000 3.182 293 V HA 0.739 4.859 4.120 -0.000 0.000 0.308 293 V C -2.953 172.847 176.094 -0.491 0.000 1.240 293 V CA -3.293 58.715 62.300 -0.487 0.000 1.063 293 V CB 1.945 33.622 31.823 -0.244 0.000 1.076 293 V HN 0.284 nan 8.190 nan 0.000 0.446 294 P HA 0.218 nan 4.420 nan 0.000 0.266 294 P C -0.600 176.606 177.300 -0.157 0.000 1.186 294 P CA 0.391 63.275 63.100 -0.361 0.000 0.767 294 P CB 0.356 31.774 31.700 -0.471 0.000 0.820 295 V N 1.358 121.274 119.914 0.003 0.000 2.555 295 V HA 0.405 4.525 4.120 -0.000 0.000 0.302 295 V C 0.124 176.254 176.094 0.061 0.000 1.038 295 V CA -0.827 61.466 62.300 -0.012 0.000 0.887 295 V CB 1.772 33.603 31.823 0.012 0.000 0.991 295 V HN 0.234 nan 8.190 nan 0.000 0.434 296 I N 4.939 125.474 120.570 -0.058 0.000 2.352 296 I HA 0.128 4.298 4.170 -0.000 0.000 0.303 296 I C 1.090 177.203 176.117 -0.007 0.000 1.194 296 I CA 0.181 61.469 61.300 -0.020 0.000 1.518 296 I CB -0.425 37.488 38.000 -0.146 0.000 1.489 296 I HN 0.966 nan 8.210 nan 0.000 0.702 297 D N 3.333 123.781 120.400 0.080 0.000 2.194 297 D HA -0.028 4.612 4.640 -0.000 0.000 0.204 297 D C 1.485 177.757 176.300 -0.047 0.000 0.964 297 D CA 1.179 55.125 54.000 -0.090 0.000 0.846 297 D CB 0.130 40.963 40.800 0.054 0.000 0.962 297 D HN 0.597 nan 8.370 nan 0.000 0.490 298 G N 0.174 109.035 108.800 0.102 0.000 2.148 298 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.203 298 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.203 298 G C 0.591 175.564 174.900 0.121 0.000 0.993 298 G CA 0.443 45.605 45.100 0.104 0.000 0.661 298 G HN 0.519 nan 8.290 nan 0.000 0.518 299 E N -1.555 118.729 120.200 0.140 0.000 2.905 299 E HA 0.327 4.677 4.350 -0.000 0.000 0.197 299 E C 1.682 178.321 176.600 0.066 0.000 1.016 299 E CA -0.170 56.293 56.400 0.106 0.000 1.307 299 E CB 0.059 29.836 29.700 0.128 0.000 1.255 299 E HN 0.264 nan 8.360 nan 0.000 0.527 300 F N 0.507 120.397 119.950 -0.101 0.000 2.259 300 F HA 0.175 4.702 4.527 -0.000 0.000 0.298 300 F C 0.011 175.541 175.800 -0.449 0.000 1.088 300 F CA 0.855 58.667 58.000 -0.313 0.000 1.358 300 F CB 0.409 39.127 39.000 -0.469 0.000 1.040 300 F HN -0.092 nan 8.300 nan 0.000 0.505 301 F N 1.147 121.253 119.950 0.260 0.000 2.359 301 F HA 0.378 4.905 4.527 -0.000 0.000 0.369 301 F C -1.649 174.197 175.800 0.076 0.000 1.084 301 F CA -2.980 55.112 58.000 0.154 0.000 1.096 301 F CB 0.524 39.604 39.000 0.132 0.000 1.335 301 F HN -0.229 nan 8.300 nan 0.000 0.457 302 P HA -0.163 nan 4.420 nan 0.000 0.217 302 P C 0.547 177.913 177.300 0.110 0.000 1.162 302 P CA 2.100 65.266 63.100 0.110 0.000 0.901 302 P CB 0.162 31.904 31.700 0.069 0.000 0.793 303 T N -6.445 108.181 114.554 0.122 0.000 2.626 303 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 303 T C -0.227 174.513 174.700 0.068 0.000 0.983 303 T CA -0.644 61.504 62.100 0.079 0.000 1.059 303 T CB 0.654 69.555 68.868 0.055 0.000 1.396 303 T HN -0.005 nan 8.240 nan 0.000 0.519 304 S N 0.103 115.818 115.700 0.026 0.000 2.568 304 S HA 0.182 4.652 4.470 -0.000 0.000 0.282 304 S C 1.486 176.084 174.600 -0.004 0.000 1.338 304 S CA -0.738 57.452 58.200 -0.017 0.000 1.045 304 S CB -0.367 62.822 63.200 -0.017 0.000 0.873 304 S HN 0.647 nan 8.310 nan 0.000 0.516 305 L N 0.657 121.837 121.223 -0.072 0.000 2.042 305 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 305 L C 2.916 179.821 176.870 0.058 0.000 1.076 305 L CA 1.932 56.750 54.840 -0.037 0.000 0.749 305 L CB -0.739 41.229 42.059 -0.152 0.000 0.893 305 L HN 0.784 nan 8.230 nan 0.000 0.432 306 E N 0.612 120.842 120.200 0.049 0.000 2.051 306 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 306 E C 2.299 178.967 176.600 0.113 0.000 0.991 306 E CA 1.726 58.192 56.400 0.109 0.000 0.799 306 E CB -0.132 29.617 29.700 0.082 0.000 0.748 306 E HN 0.465 nan 8.360 nan 0.000 0.449 307 S N -0.416 115.331 115.700 0.078 0.000 2.399 307 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 307 S C 2.087 176.740 174.600 0.087 0.000 1.022 307 S CA 1.435 59.678 58.200 0.073 0.000 0.983 307 S CB -0.377 62.852 63.200 0.048 0.000 0.803 307 S HN 0.263 nan 8.310 nan 0.000 0.480 308 M N 0.889 120.558 119.600 0.115 0.000 2.123 308 M HA 0.105 4.585 4.480 -0.000 0.000 0.263 308 M C 2.257 178.707 176.300 0.249 0.000 1.069 308 M CA 1.234 56.626 55.300 0.153 0.000 1.133 308 M CB -0.646 32.077 32.600 0.205 0.000 1.356 308 M HN 0.282 nan 8.290 nan 0.000 0.415 309 L N 0.249 121.637 121.223 0.277 0.000 2.083 309 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 309 L C 2.189 179.256 176.870 0.329 0.000 1.083 309 L CA 0.949 55.994 54.840 0.341 0.000 0.752 309 L CB -0.897 41.273 42.059 0.186 0.000 0.899 309 L HN 0.383 nan 8.230 nan 0.000 0.433 310 N N -0.200 118.628 118.700 0.213 0.000 2.142 310 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 310 N C 2.016 177.644 175.510 0.196 0.000 1.023 310 N CA 1.723 54.895 53.050 0.203 0.000 0.852 310 N CB -0.215 38.355 38.487 0.138 0.000 0.998 310 N HN 0.341 nan 8.380 nan 0.000 0.424 311 S N -0.891 114.840 115.700 0.051 0.000 2.562 311 S HA 0.199 4.669 4.470 -0.000 0.000 0.221 311 S C 1.354 175.634 174.600 -0.534 0.000 0.975 311 S CA 0.549 58.690 58.200 -0.098 0.000 0.918 311 S CB 0.037 63.184 63.200 -0.088 0.000 0.772 311 S HN 0.418 nan 8.310 nan 0.000 0.531 312 G N 1.733 110.089 108.800 -0.740 0.000 2.147 312 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 312 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 312 G C -0.129 173.898 174.900 -1.455 0.000 1.005 312 G CA 0.020 43.996 45.100 -1.873 0.000 0.713 312 G HN 0.643 nan 8.290 nan 0.000 0.515 313 N N 0.658 118.959 118.700 -0.666 0.000 2.605 313 N HA 0.554 5.294 4.740 -0.000 0.000 0.258 313 N C -0.157 175.286 175.510 -0.111 0.000 1.156 313 N CA -0.119 52.715 53.050 -0.360 0.000 1.008 313 N CB -0.693 37.722 38.487 -0.120 0.000 1.354 313 N HN 0.836 nan 8.380 nan 0.000 0.509 314 F N -0.748 119.166 119.950 -0.059 0.000 2.829 314 F HA 0.329 4.856 4.527 -0.000 0.000 0.319 314 F C -0.545 175.288 175.800 0.055 0.000 1.153 314 F CA -1.415 56.620 58.000 0.058 0.000 0.912 314 F CB 0.476 39.583 39.000 0.179 0.000 1.292 314 F HN -0.046 nan 8.300 nan 0.000 0.447 315 K N 1.508 122.168 120.400 0.433 0.000 2.484 315 K HA 0.201 4.521 4.320 -0.000 0.000 0.280 315 K C -1.031 175.842 176.600 0.454 0.000 1.013 315 K CA -0.053 56.400 56.287 0.276 0.000 1.029 315 K CB 0.475 33.075 32.500 0.167 0.000 0.902 315 K HN 0.646 nan 8.250 nan 0.000 0.481 316 K N 2.799 123.321 120.400 0.203 0.000 2.292 316 K HA 0.195 4.515 4.320 -0.000 0.000 0.270 316 K C -0.287 176.433 176.600 0.199 0.000 1.062 316 K CA -0.251 56.151 56.287 0.192 0.000 0.916 316 K CB 1.831 34.344 32.500 0.021 0.000 1.166 316 K HN 0.632 nan 8.250 nan 0.000 0.458 317 T N 1.248 116.009 114.554 0.346 0.000 2.606 317 T HA 0.320 4.670 4.350 -0.000 0.000 0.289 317 T C -1.367 173.534 174.700 0.336 0.000 1.113 317 T CA -0.626 61.625 62.100 0.252 0.000 1.106 317 T CB 0.626 69.606 68.868 0.186 0.000 1.611 317 T HN 0.377 nan 8.240 nan 0.000 0.471 318 Q N 1.034 121.002 119.800 0.280 0.000 2.235 318 Q HA 0.762 5.102 4.340 -0.000 0.000 0.256 318 Q C -0.486 175.805 176.000 0.483 0.000 0.951 318 Q CA -0.513 55.512 55.803 0.370 0.000 0.890 318 Q CB 1.548 30.484 28.738 0.330 0.000 1.279 318 Q HN 0.676 nan 8.270 nan 0.000 0.444 319 I N -1.387 119.416 120.570 0.388 0.000 2.769 319 I HA 0.678 4.848 4.170 -0.000 0.000 0.298 319 I C -1.552 174.448 176.117 -0.194 0.000 1.128 319 I CA -1.353 60.035 61.300 0.146 0.000 1.031 319 I CB 1.897 39.832 38.000 -0.108 0.000 1.235 319 I HN 0.563 nan 8.210 nan 0.000 0.423 320 L N 7.157 128.031 121.223 -0.583 0.000 2.372 320 L HA 0.747 5.087 4.340 -0.000 0.000 0.274 320 L C -1.315 175.348 176.870 -0.345 0.000 0.988 320 L CA -0.510 53.888 54.840 -0.736 0.000 0.833 320 L CB 1.492 42.568 42.059 -1.640 0.000 1.236 320 L HN 0.827 nan 8.230 nan 0.000 0.410 321 L N 2.467 123.620 121.223 -0.117 0.000 2.403 321 L HA 1.133 5.473 4.340 -0.000 0.000 0.253 321 L C -0.621 176.069 176.870 -0.300 0.000 1.045 321 L CA -0.487 54.316 54.840 -0.062 0.000 0.845 321 L CB 2.058 44.069 42.059 -0.079 0.000 1.447 321 L HN 0.633 nan 8.230 nan 0.000 0.411 322 G N -0.197 108.198 108.800 -0.675 0.000 2.430 322 G HA2 0.579 4.539 3.960 -0.000 0.000 0.300 322 G HA3 0.579 4.539 3.960 -0.000 0.000 0.300 322 G C -1.476 173.045 174.900 -0.632 0.000 1.330 322 G CA 0.021 44.331 45.100 -1.316 0.000 0.813 322 G HN 1.387 nan 8.290 nan 0.000 0.487 323 V N -2.751 116.968 119.914 -0.326 0.000 3.182 323 V HA 0.874 4.994 4.120 -0.000 0.000 0.308 323 V C -1.067 175.117 176.094 0.151 0.000 1.240 323 V CA -1.426 60.904 62.300 0.050 0.000 1.063 323 V CB 1.837 33.722 31.823 0.104 0.000 1.076 323 V HN 0.689 nan 8.190 nan 0.000 0.446 324 N N 0.482 119.281 118.700 0.165 0.000 2.443 324 N HA 0.459 5.199 4.740 -0.000 0.000 0.293 324 N C 0.505 175.984 175.510 -0.052 0.000 1.159 324 N CA -0.569 52.560 53.050 0.131 0.000 0.904 324 N CB 1.837 40.498 38.487 0.290 0.000 1.214 324 N HN 0.912 nan 8.380 nan 0.000 0.513 325 K N 0.018 120.289 120.400 -0.214 0.000 2.063 325 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 325 K C -0.636 176.063 176.600 0.166 0.000 1.048 325 K CA 1.322 57.575 56.287 -0.057 0.000 0.928 325 K CB 0.191 32.672 32.500 -0.032 0.000 0.713 325 K HN 0.523 nan 8.250 nan 0.000 0.442 326 D N 1.047 121.535 120.400 0.147 0.000 2.634 326 D HA 0.037 4.677 4.640 -0.000 0.000 0.318 326 D C 0.073 176.495 176.300 0.204 0.000 1.226 326 D CA -0.086 54.016 54.000 0.169 0.000 0.899 326 D CB 1.342 42.214 40.800 0.120 0.000 1.025 326 D HN 0.148 nan 8.370 nan 0.000 0.501 327 E N 0.438 120.784 120.200 0.244 0.000 2.204 327 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 327 E C 1.883 178.686 176.600 0.338 0.000 0.990 327 E CA 0.601 57.197 56.400 0.328 0.000 0.821 327 E CB 0.216 30.087 29.700 0.286 0.000 0.750 327 E HN 0.436 nan 8.360 nan 0.000 0.477 328 G N 0.965 109.919 108.800 0.257 0.000 2.744 328 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.211 328 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.211 328 G C 1.690 176.755 174.900 0.274 0.000 1.146 328 G CA 0.642 45.914 45.100 0.286 0.000 0.787 328 G HN 0.335 nan 8.290 nan 0.000 0.534 329 S N 0.788 116.593 115.700 0.174 0.000 2.370 329 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 329 S C 2.063 176.652 174.600 -0.018 0.000 1.033 329 S CA 1.011 59.255 58.200 0.073 0.000 1.011 329 S CB -0.580 62.541 63.200 -0.132 0.000 0.852 329 S HN 0.133 nan 8.310 nan 0.000 0.457 330 F N 2.205 122.012 119.950 -0.239 0.000 2.120 330 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 330 F C 1.746 177.267 175.800 -0.466 0.000 1.095 330 F CA 0.549 58.254 58.000 -0.493 0.000 1.249 330 F CB -0.770 37.787 39.000 -0.739 0.000 0.995 330 F HN 0.186 nan 8.300 nan 0.000 0.480 331 F N -0.812 119.151 119.950 0.021 0.000 2.367 331 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 331 F C 2.178 177.964 175.800 -0.024 0.000 1.094 331 F CA 0.627 58.582 58.000 -0.075 0.000 1.409 331 F CB -0.926 37.942 39.000 -0.220 0.000 1.064 331 F HN -0.110 nan 8.300 nan 0.000 0.528 332 L N -0.721 120.522 121.223 0.033 0.000 2.131 332 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 332 L C 2.416 179.176 176.870 -0.183 0.000 1.087 332 L CA 0.452 55.089 54.840 -0.339 0.000 0.767 332 L CB -0.563 40.877 42.059 -1.031 0.000 0.917 332 L HN 0.157 nan 8.230 nan 0.000 0.441 333 L N -1.038 120.263 121.223 0.130 0.000 2.079 333 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 333 L C 2.280 179.347 176.870 0.328 0.000 1.081 333 L CA 2.022 57.096 54.840 0.389 0.000 0.752 333 L CB -0.578 41.731 42.059 0.418 0.000 0.896 333 L HN 0.117 nan 8.230 nan 0.000 0.433 334 Y N -0.831 119.551 120.300 0.136 0.000 2.365 334 Y HA 0.205 4.755 4.550 -0.000 0.000 0.293 334 Y C 2.349 178.265 175.900 0.028 0.000 1.119 334 Y CA 1.059 59.211 58.100 0.087 0.000 1.203 334 Y CB -0.365 38.115 38.460 0.034 0.000 1.026 334 Y HN 0.241 nan 8.280 nan 0.000 0.549 335 G N -1.609 107.296 108.800 0.175 0.000 3.274 335 G HA2 0.465 4.425 3.960 -0.000 0.000 0.250 335 G HA3 0.465 4.425 3.960 -0.000 0.000 0.250 335 G C -0.077 174.882 174.900 0.099 0.000 1.024 335 G CA 0.435 45.591 45.100 0.094 0.000 0.840 335 G HN 0.279 nan 8.290 nan 0.000 0.522 336 A N 1.361 124.268 122.820 0.146 0.000 2.337 336 A HA 0.822 5.142 4.320 -0.000 0.000 0.329 336 A C -2.621 175.177 177.584 0.356 0.000 1.146 336 A CA -1.618 50.555 52.037 0.227 0.000 0.800 336 A CB 1.600 20.741 19.000 0.235 0.000 1.220 336 A HN 0.045 nan 8.150 nan 0.000 0.472 337 P HA 0.287 nan 4.420 nan 0.000 0.268 337 P C 0.842 178.143 177.300 0.002 0.000 1.205 337 P CA 1.443 64.610 63.100 0.111 0.000 0.771 337 P CB 1.143 32.873 31.700 0.051 0.000 0.858 338 G N 1.645 110.390 108.800 -0.092 0.000 2.234 338 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.235 338 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.235 338 G C -0.217 174.401 174.900 -0.471 0.000 0.997 338 G CA -0.486 44.428 45.100 -0.311 0.000 0.623 338 G HN 0.425 nan 8.290 nan 0.000 0.514 339 F N 1.721 121.607 119.950 -0.106 0.000 2.394 339 F HA 0.746 5.273 4.527 -0.000 0.000 0.340 339 F C 0.726 176.526 175.800 -0.000 0.000 1.105 339 F CA 0.048 57.954 58.000 -0.157 0.000 1.124 339 F CB 2.079 41.051 39.000 -0.046 0.000 1.145 339 F HN 0.135 nan 8.300 nan 0.000 0.505 340 S N 1.620 117.438 115.700 0.197 0.000 2.541 340 S HA 0.295 4.765 4.470 -0.000 0.000 0.271 340 S C 0.204 175.065 174.600 0.435 0.000 1.133 340 S CA -0.927 57.428 58.200 0.258 0.000 0.876 340 S CB 1.332 64.596 63.200 0.107 0.000 1.105 340 S HN 0.770 nan 8.310 nan 0.000 0.470 341 K N 1.394 121.987 120.400 0.322 0.000 2.459 341 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 341 K C -0.221 176.444 176.600 0.110 0.000 1.030 341 K CA 0.660 57.088 56.287 0.236 0.000 1.026 341 K CB -0.003 32.421 32.500 -0.125 0.000 0.809 341 K HN 0.441 nan 8.250 nan 0.000 0.504 342 D N 1.421 121.873 120.400 0.088 0.000 2.368 342 D HA 0.036 4.676 4.640 -0.000 0.000 0.218 342 D C 0.013 176.352 176.300 0.064 0.000 1.112 342 D CA 0.217 54.235 54.000 0.030 0.000 0.834 342 D CB 0.888 41.679 40.800 -0.015 0.000 0.953 342 D HN 0.360 nan 8.370 nan 0.000 0.505 343 S N -1.136 114.636 115.700 0.120 0.000 2.705 343 S HA 0.272 4.742 4.470 -0.000 0.000 0.280 343 S C 0.517 175.163 174.600 0.078 0.000 1.174 343 S CA -0.714 57.523 58.200 0.061 0.000 0.823 343 S CB 1.995 65.187 63.200 -0.014 0.000 1.162 343 S HN -0.162 nan 8.310 nan 0.000 0.487 344 E N 0.823 121.022 120.200 -0.002 0.000 2.478 344 E HA 0.073 4.423 4.350 -0.000 0.000 0.198 344 E C -0.381 176.013 176.600 -0.343 0.000 1.046 344 E CA 0.553 56.934 56.400 -0.032 0.000 0.870 344 E CB -0.278 29.416 29.700 -0.009 0.000 0.818 344 E HN 0.683 nan 8.360 nan 0.000 0.527 345 S N 1.336 116.778 115.700 -0.430 0.000 3.550 345 S HA -0.178 4.291 4.470 -0.000 0.000 0.372 345 S C -0.262 173.997 174.600 -0.569 0.000 0.966 345 S CA 0.689 58.501 58.200 -0.647 0.000 1.229 345 S CB -1.198 61.271 63.200 -1.219 0.000 0.917 345 S HN 0.281 nan 8.310 nan 0.000 0.496 346 K N 0.978 121.171 120.400 -0.346 0.000 2.368 346 K HA 0.290 4.610 4.320 -0.000 0.000 0.282 346 K C 0.352 176.769 176.600 -0.304 0.000 1.035 346 K CA -0.224 55.907 56.287 -0.260 0.000 0.973 346 K CB 0.420 32.824 32.500 -0.159 0.000 0.957 346 K HN 0.220 nan 8.250 nan 0.000 0.474 347 I N 2.711 123.112 120.570 -0.282 0.000 2.359 347 I HA 0.048 4.218 4.170 -0.000 0.000 0.294 347 I C 1.036 177.076 176.117 -0.127 0.000 0.987 347 I CA -0.331 60.815 61.300 -0.256 0.000 1.225 347 I CB 1.021 38.879 38.000 -0.238 0.000 1.366 347 I HN 0.672 nan 8.210 nan 0.000 0.466 348 S N 6.010 121.648 115.700 -0.102 0.000 2.608 348 S HA 0.232 4.702 4.470 -0.000 0.000 0.261 348 S C 1.153 175.749 174.600 -0.006 0.000 1.314 348 S CA -0.371 57.795 58.200 -0.057 0.000 0.992 348 S CB 1.413 64.585 63.200 -0.046 0.000 0.935 348 S HN 0.611 nan 8.310 nan 0.000 0.564 349 R N 0.733 121.228 120.500 -0.008 0.000 2.096 349 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 349 R C 2.258 178.622 176.300 0.107 0.000 1.127 349 R CA 2.086 58.202 56.100 0.026 0.000 0.968 349 R CB -0.926 29.375 30.300 0.001 0.000 0.861 349 R HN 0.936 nan 8.270 nan 0.000 0.440 350 E N -0.147 120.092 120.200 0.064 0.000 2.031 350 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 350 E C 0.981 177.622 176.600 0.069 0.000 0.994 350 E CA 1.733 58.171 56.400 0.064 0.000 0.800 350 E CB -0.086 29.634 29.700 0.033 0.000 0.752 350 E HN 0.340 nan 8.360 nan 0.000 0.447 351 D N -0.203 120.226 120.400 0.048 0.000 2.178 351 D HA -0.142 4.498 4.640 -0.000 0.000 0.202 351 D C 1.632 177.979 176.300 0.079 0.000 0.974 351 D CA 0.562 54.583 54.000 0.034 0.000 0.841 351 D CB -0.342 40.436 40.800 -0.037 0.000 0.953 351 D HN 0.214 nan 8.370 nan 0.000 0.478 352 F N 1.412 121.350 119.950 -0.019 0.000 2.102 352 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 352 F C 2.222 178.041 175.800 0.031 0.000 1.105 352 F CA 1.290 59.295 58.000 0.008 0.000 1.239 352 F CB -0.128 38.855 39.000 -0.027 0.000 0.991 352 F HN -0.193 nan 8.300 nan 0.000 0.474 353 M N -0.105 119.579 119.600 0.140 0.000 2.080 353 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 353 M C 2.339 178.616 176.300 -0.038 0.000 1.068 353 M CA 1.824 57.156 55.300 0.054 0.000 1.109 353 M CB -1.675 30.995 32.600 0.117 0.000 1.342 353 M HN 0.128 nan 8.290 nan 0.000 0.405 354 S N 0.531 116.228 115.700 -0.005 0.000 2.399 354 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 354 S C 2.045 176.626 174.600 -0.031 0.000 1.022 354 S CA 1.272 59.468 58.200 -0.006 0.000 0.983 354 S CB -0.755 62.457 63.200 0.021 0.000 0.803 354 S HN 0.698 nan 8.310 nan 0.000 0.480 355 G N 1.617 110.378 108.800 -0.064 0.000 2.408 355 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 355 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 355 G C 1.635 176.436 174.900 -0.165 0.000 1.150 355 G CA 1.074 46.129 45.100 -0.074 0.000 0.776 355 G HN 0.546 nan 8.290 nan 0.000 0.542 356 V N -0.603 119.141 119.914 -0.282 0.000 2.453 356 V HA 0.067 4.187 4.120 -0.000 0.000 0.247 356 V C 2.394 178.417 176.094 -0.119 0.000 1.048 356 V CA 2.430 64.595 62.300 -0.225 0.000 1.049 356 V CB -0.552 31.125 31.823 -0.243 0.000 0.672 356 V HN 0.324 nan 8.190 nan 0.000 0.457 357 K N -0.555 119.788 120.400 -0.096 0.000 2.097 357 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 357 K C 2.060 178.621 176.600 -0.065 0.000 1.049 357 K CA 1.616 57.854 56.287 -0.081 0.000 0.933 357 K CB -0.196 32.269 32.500 -0.058 0.000 0.717 357 K HN 0.445 nan 8.250 nan 0.000 0.442 358 L N 0.654 121.854 121.223 -0.039 0.000 2.217 358 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 358 L C 1.990 178.862 176.870 0.003 0.000 1.107 358 L CA 1.508 56.346 54.840 -0.003 0.000 0.783 358 L CB -0.284 41.784 42.059 0.015 0.000 0.919 358 L HN 0.079 nan 8.230 nan 0.000 0.442 359 S N -1.772 113.912 115.700 -0.027 0.000 2.425 359 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 359 S C 0.932 175.520 174.600 -0.021 0.000 1.024 359 S CA 0.344 58.534 58.200 -0.017 0.000 0.951 359 S CB 0.324 63.492 63.200 -0.052 0.000 0.796 359 S HN 0.137 nan 8.310 nan 0.000 0.498 360 V N 3.497 123.362 119.914 -0.083 0.000 2.446 360 V HA 0.215 4.335 4.120 -0.000 0.000 0.257 360 V C -1.756 174.205 176.094 -0.222 0.000 1.036 360 V CA -1.346 60.841 62.300 -0.188 0.000 1.196 360 V CB 0.631 32.303 31.823 -0.251 0.000 1.446 360 V HN 0.216 nan 8.190 nan 0.000 0.558 361 P HA -0.190 nan 4.420 nan 0.000 0.221 361 P C 1.099 178.057 177.300 -0.569 0.000 1.145 361 P CA 1.553 64.532 63.100 -0.201 0.000 0.795 361 P CB 0.084 31.844 31.700 0.099 0.000 0.775 362 H N -0.940 117.926 119.070 -0.339 0.000 2.551 362 H HA 0.427 4.983 4.556 -0.000 0.000 0.266 362 H C 0.643 175.822 175.328 -0.249 0.000 0.964 362 H CA -0.124 55.736 56.048 -0.314 0.000 1.180 362 H CB -0.706 29.041 29.762 -0.025 0.000 1.408 362 H HN -0.021 nan 8.280 nan 0.000 0.563 363 A N 2.394 124.856 122.820 -0.597 0.000 2.371 363 A HA 0.262 4.582 4.320 -0.000 0.000 0.257 363 A C 0.331 177.758 177.584 -0.262 0.000 1.089 363 A CA -0.355 51.436 52.037 -0.411 0.000 0.794 363 A CB 0.256 19.013 19.000 -0.404 0.000 1.029 363 A HN 0.676 nan 8.150 nan 0.000 0.488 364 N N 1.121 119.714 118.700 -0.178 0.000 2.405 364 N HA 0.200 4.940 4.740 -0.000 0.000 0.269 364 N C -0.029 175.423 175.510 -0.096 0.000 1.249 364 N CA -0.161 52.816 53.050 -0.123 0.000 0.974 364 N CB 0.086 38.522 38.487 -0.087 0.000 1.204 364 N HN 0.497 nan 8.380 nan 0.000 0.565 365 D N -0.889 119.473 120.400 -0.063 0.000 2.116 365 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 365 D C 1.605 177.893 176.300 -0.019 0.000 0.998 365 D CA 1.018 54.996 54.000 -0.035 0.000 0.836 365 D CB -0.208 40.580 40.800 -0.020 0.000 0.951 365 D HN 0.426 nan 8.370 nan 0.000 0.449 366 L N 0.334 121.543 121.223 -0.024 0.000 2.083 366 L HA 0.019 4.358 4.340 -0.000 0.000 0.209 366 L C 2.158 179.025 176.870 -0.005 0.000 1.083 366 L CA 1.930 56.766 54.840 -0.007 0.000 0.752 366 L CB -0.955 41.091 42.059 -0.021 0.000 0.899 366 L HN 0.104 nan 8.230 nan 0.000 0.433 367 G N -0.707 108.061 108.800 -0.053 0.000 2.404 367 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 367 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 367 G C 1.610 176.501 174.900 -0.015 0.000 1.174 367 G CA 0.915 45.972 45.100 -0.072 0.000 0.780 367 G HN 0.413 nan 8.290 nan 0.000 0.537 368 L N 0.532 121.737 121.223 -0.031 0.000 2.042 368 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 368 L C 2.489 179.399 176.870 0.067 0.000 1.076 368 L CA 1.249 56.089 54.840 -0.000 0.000 0.749 368 L CB -0.382 41.663 42.059 -0.024 0.000 0.893 368 L HN 0.128 nan 8.230 nan 0.000 0.432 369 D N 0.101 120.546 120.400 0.075 0.000 2.144 369 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 369 D C 2.234 178.624 176.300 0.149 0.000 0.978 369 D CA 1.399 55.468 54.000 0.115 0.000 0.833 369 D CB -0.010 40.845 40.800 0.092 0.000 0.961 369 D HN 0.299 nan 8.370 nan 0.000 0.470 370 A N 0.740 123.662 122.820 0.170 0.000 1.877 370 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 370 A C 2.551 180.262 177.584 0.212 0.000 1.186 370 A CA 1.339 53.535 52.037 0.265 0.000 0.620 370 A CB -0.816 18.434 19.000 0.415 0.000 0.822 370 A HN 0.137 nan 8.150 nan 0.000 0.443 371 V N -0.251 119.817 119.914 0.257 0.000 2.261 371 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 371 V C 2.766 178.977 176.094 0.194 0.000 1.047 371 V CA 2.549 64.971 62.300 0.202 0.000 1.015 371 V CB -1.392 30.551 31.823 0.200 0.000 0.642 371 V HN 0.617 nan 8.190 nan 0.000 0.446 372 T N 0.610 115.289 114.554 0.208 0.000 2.665 372 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 372 T C 1.892 176.738 174.700 0.244 0.000 1.035 372 T CA 2.093 64.373 62.100 0.300 0.000 1.151 372 T CB -0.440 68.604 68.868 0.294 0.000 0.862 372 T HN 0.294 nan 8.240 nan 0.000 0.438 373 L N 1.060 122.398 121.223 0.191 0.000 2.083 373 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 373 L C 2.409 179.266 176.870 -0.021 0.000 1.083 373 L CA 1.754 56.697 54.840 0.173 0.000 0.752 373 L CB -0.760 41.388 42.059 0.147 0.000 0.899 373 L HN 0.139 nan 8.230 nan 0.000 0.433 374 Q N -1.639 118.043 119.800 -0.196 0.000 2.291 374 Q HA -0.135 4.204 4.340 -0.000 0.000 0.205 374 Q C 0.655 176.345 176.000 -0.518 0.000 0.970 374 Q CA 1.560 57.052 55.803 -0.519 0.000 0.876 374 Q CB -0.045 28.003 28.738 -1.150 0.000 0.935 374 Q HN 0.690 nan 8.270 nan 0.000 0.455 375 Y N -1.528 118.717 120.300 -0.091 0.000 2.682 375 Y HA 0.348 4.898 4.550 -0.000 0.000 0.251 375 Y C -0.412 175.433 175.900 -0.092 0.000 1.172 375 Y CA -0.383 57.718 58.100 0.001 0.000 1.186 375 Y CB 1.172 39.740 38.460 0.181 0.000 1.216 375 Y HN -0.209 nan 8.280 nan 0.000 0.540 376 T N 0.876 115.347 114.554 -0.137 0.000 2.770 376 T HA 0.089 4.439 4.350 -0.000 0.000 0.283 376 T C -0.886 173.502 174.700 -0.519 0.000 0.988 376 T CA -0.674 61.127 62.100 -0.498 0.000 0.957 376 T CB 1.038 69.404 68.868 -0.838 0.000 0.930 376 T HN 0.018 nan 8.240 nan 0.000 0.443 377 D N 2.116 122.255 120.400 -0.435 0.000 2.352 377 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 377 D C 0.028 176.139 176.300 -0.315 0.000 1.224 377 D CA -0.601 53.242 54.000 -0.262 0.000 0.879 377 D CB 0.474 41.170 40.800 -0.172 0.000 1.057 377 D HN 0.634 nan 8.370 nan 0.000 0.491 378 W N 3.169 124.428 121.300 -0.067 0.000 3.077 378 W HA 0.064 4.723 4.660 -0.000 0.000 0.245 378 W C 1.944 178.434 176.519 -0.049 0.000 1.316 378 W CA -0.178 57.132 57.345 -0.059 0.000 1.537 378 W CB 0.115 29.545 29.460 -0.050 0.000 1.131 378 W HN 0.402 nan 8.180 nan 0.000 0.695 379 M N -1.044 118.625 119.600 0.114 0.000 2.509 379 M HA 0.045 4.525 4.480 -0.000 0.000 0.250 379 M C 0.192 176.509 176.300 0.028 0.000 1.132 379 M CA 1.079 56.424 55.300 0.074 0.000 1.080 379 M CB 0.291 32.913 32.600 0.038 0.000 1.408 379 M HN -0.230 nan 8.290 nan 0.000 0.484 380 D N 0.079 120.464 120.400 -0.024 0.000 3.078 380 D HA -0.001 4.639 4.640 -0.000 0.000 0.363 380 D C 0.463 176.677 176.300 -0.144 0.000 1.391 380 D CA 0.063 54.026 54.000 -0.062 0.000 0.754 380 D CB 0.280 41.044 40.800 -0.061 0.000 1.238 380 D HN 0.191 nan 8.370 nan 0.000 0.500 381 D N -0.712 119.585 120.400 -0.171 0.000 2.311 381 D HA -0.162 4.478 4.640 -0.000 0.000 0.212 381 D C 0.658 176.807 176.300 -0.252 0.000 0.972 381 D CA 0.406 54.200 54.000 -0.344 0.000 0.887 381 D CB 0.150 40.709 40.800 -0.402 0.000 0.915 381 D HN 0.187 nan 8.370 nan 0.000 0.497 382 N N 0.571 119.189 118.700 -0.136 0.000 2.270 382 N HA -0.048 4.692 4.740 -0.000 0.000 0.198 382 N C 0.069 175.515 175.510 -0.107 0.000 1.117 382 N CA -0.150 52.837 53.050 -0.105 0.000 0.845 382 N CB -0.042 38.414 38.487 -0.052 0.000 0.980 382 N HN 0.156 nan 8.380 nan 0.000 0.486 383 N N 1.274 119.898 118.700 -0.126 0.000 2.400 383 N HA 0.016 4.756 4.740 -0.000 0.000 0.267 383 N C 1.323 176.765 175.510 -0.113 0.000 1.208 383 N CA 0.037 53.025 53.050 -0.103 0.000 0.951 383 N CB 0.671 39.101 38.487 -0.095 0.000 1.227 383 N HN 0.161 nan 8.380 nan 0.000 0.488 384 G N 4.295 113.037 108.800 -0.097 0.000 2.503 384 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 384 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 384 G C 1.567 176.410 174.900 -0.094 0.000 1.131 384 G CA 0.581 45.617 45.100 -0.106 0.000 0.756 384 G HN 0.685 nan 8.290 nan 0.000 0.572 385 I N 0.077 120.609 120.570 -0.064 0.000 2.202 385 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 385 I C 2.794 178.910 176.117 -0.002 0.000 1.091 385 I CA 1.231 62.516 61.300 -0.026 0.000 1.368 385 I CB -0.169 37.828 38.000 -0.004 0.000 1.058 385 I HN 0.128 nan 8.210 nan 0.000 0.410 386 K N 0.589 120.970 120.400 -0.032 0.000 2.209 386 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 386 K C 1.751 178.326 176.600 -0.043 0.000 1.048 386 K CA 1.073 57.340 56.287 -0.032 0.000 0.940 386 K CB -0.168 32.280 32.500 -0.087 0.000 0.729 386 K HN 0.335 nan 8.250 nan 0.000 0.451 387 N N 0.816 119.459 118.700 -0.095 0.000 2.270 387 N HA -0.133 4.607 4.740 -0.000 0.000 0.181 387 N C 1.702 177.346 175.510 0.224 0.000 1.016 387 N CA 0.811 53.817 53.050 -0.073 0.000 0.870 387 N CB -0.095 38.312 38.487 -0.134 0.000 0.979 387 N HN 0.226 nan 8.380 nan 0.000 0.431 388 R N 1.171 121.740 120.500 0.114 0.000 2.062 388 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 388 R C 0.813 177.297 176.300 0.307 0.000 1.136 388 R CA 1.540 57.748 56.100 0.179 0.000 0.948 388 R CB -0.009 30.299 30.300 0.012 0.000 0.845 388 R HN 0.012 nan 8.270 nan 0.000 0.430 389 D N -0.429 120.111 120.400 0.233 0.000 2.144 389 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 389 D C 1.720 178.176 176.300 0.260 0.000 0.978 389 D CA 1.417 55.565 54.000 0.246 0.000 0.833 389 D CB -0.551 40.364 40.800 0.191 0.000 0.961 389 D HN 0.504 nan 8.370 nan 0.000 0.470 390 G N 0.848 109.813 108.800 0.275 0.000 2.433 390 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 390 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 390 G C 1.533 176.608 174.900 0.292 0.000 1.186 390 G CA 0.397 45.711 45.100 0.356 0.000 0.779 390 G HN 0.212 nan 8.290 nan 0.000 0.543 391 L N 0.959 122.410 121.223 0.379 0.000 2.131 391 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 391 L C 2.229 179.158 176.870 0.099 0.000 1.092 391 L CA 2.094 57.018 54.840 0.141 0.000 0.759 391 L CB -0.576 41.624 42.059 0.234 0.000 0.903 391 L HN 0.214 nan 8.230 nan 0.000 0.435 392 D N -0.728 119.793 120.400 0.201 0.000 2.097 392 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 392 D C 1.705 178.081 176.300 0.126 0.000 0.989 392 D CA 1.390 55.501 54.000 0.185 0.000 0.827 392 D CB 0.028 40.993 40.800 0.275 0.000 0.966 392 D HN 0.342 nan 8.370 nan 0.000 0.456 393 D N -0.245 120.238 120.400 0.137 0.000 2.144 393 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 393 D C 2.329 178.617 176.300 -0.019 0.000 0.978 393 D CA 0.370 54.457 54.000 0.145 0.000 0.833 393 D CB -0.162 40.828 40.800 0.318 0.000 0.961 393 D HN 0.365 nan 8.370 nan 0.000 0.470 394 I N 0.612 121.015 120.570 -0.277 0.000 2.127 394 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 394 I C 2.482 178.479 176.117 -0.200 0.000 1.075 394 I CA 0.811 61.907 61.300 -0.341 0.000 1.334 394 I CB -0.282 37.521 38.000 -0.329 0.000 1.040 394 I HN -0.108 nan 8.210 nan 0.000 0.405 395 V N 0.955 120.795 119.914 -0.124 0.000 2.295 395 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 395 V C 2.540 178.535 176.094 -0.165 0.000 1.049 395 V CA 2.265 64.500 62.300 -0.109 0.000 1.024 395 V CB -1.439 30.387 31.823 0.005 0.000 0.648 395 V HN 0.600 nan 8.190 nan 0.000 0.447 396 G N -0.579 108.186 108.800 -0.058 0.000 2.402 396 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 396 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 396 G C 1.229 176.066 174.900 -0.105 0.000 1.162 396 G CA 0.910 45.994 45.100 -0.026 0.000 0.777 396 G HN 0.497 nan 8.290 nan 0.000 0.539 397 D N -0.177 120.155 120.400 -0.114 0.000 2.084 397 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 397 D C 2.095 178.051 176.300 -0.572 0.000 0.985 397 D CA 1.265 55.161 54.000 -0.173 0.000 0.826 397 D CB -0.490 40.375 40.800 0.108 0.000 0.978 397 D HN 0.410 nan 8.370 nan 0.000 0.456 398 H N 0.792 119.183 119.070 -1.133 0.000 2.353 398 H HA 0.034 4.590 4.556 -0.000 0.000 0.300 398 H C 1.498 176.430 175.328 -0.660 0.000 1.090 398 H CA 1.661 56.925 56.048 -1.307 0.000 1.327 398 H CB 0.070 28.882 29.762 -1.584 0.000 1.383 398 H HN 0.004 nan 8.280 nan 0.000 0.508 399 N N -0.752 117.499 118.700 -0.748 0.000 2.409 399 N HA -0.008 4.732 4.740 -0.000 0.000 0.174 399 N C 1.131 176.397 175.510 -0.407 0.000 1.037 399 N CA 1.103 53.690 53.050 -0.772 0.000 0.898 399 N CB 1.016 38.628 38.487 -1.459 0.000 1.010 399 N HN 0.267 nan 8.380 nan 0.000 0.445 400 V N 0.564 120.305 119.914 -0.289 0.000 3.449 400 V HA 0.140 4.260 4.120 -0.000 0.000 0.208 400 V C 2.103 178.166 176.094 -0.051 0.000 1.269 400 V CA -0.121 62.137 62.300 -0.070 0.000 1.301 400 V CB -0.097 31.764 31.823 0.063 0.000 1.306 400 V HN -0.078 nan 8.190 nan 0.000 0.531 401 I N 0.815 121.374 120.570 -0.019 0.000 2.087 401 I HA -0.358 3.812 4.170 -0.000 0.000 0.240 401 I C 2.588 178.708 176.117 0.006 0.000 1.054 401 I CA 2.225 63.538 61.300 0.022 0.000 1.311 401 I CB -0.492 37.556 38.000 0.081 0.000 1.024 401 I HN 0.421 nan 8.210 nan 0.000 0.402 402 c N 0.362 118.956 118.600 -0.011 0.000 2.446 402 c HA -0.035 4.535 4.570 -0.000 0.000 0.277 402 c C 0.287 174.399 174.090 0.037 0.000 1.275 402 c CA 0.636 56.997 56.329 0.054 0.000 1.727 402 c CB -1.856 40.731 42.510 0.128 0.000 2.010 402 c HN 0.365 nan 8.230 nan 0.000 0.486 403 P HA -0.109 nan 4.420 nan 0.000 0.216 403 P C 1.721 179.041 177.300 0.034 0.000 1.150 403 P CA 1.133 64.196 63.100 -0.062 0.000 0.837 403 P CB -0.180 31.385 31.700 -0.225 0.000 0.786 404 L N -2.040 119.183 121.223 0.001 0.000 2.141 404 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 404 L C 1.985 178.895 176.870 0.066 0.000 1.094 404 L CA 1.428 56.289 54.840 0.035 0.000 0.763 404 L CB -0.416 41.633 42.059 -0.016 0.000 0.908 404 L HN -0.090 nan 8.230 nan 0.000 0.437 405 M N -1.223 118.408 119.600 0.053 0.000 2.200 405 M HA -0.170 4.310 4.480 -0.000 0.000 0.265 405 M C 2.201 178.555 176.300 0.090 0.000 1.066 405 M CA 1.499 56.823 55.300 0.040 0.000 1.127 405 M CB -1.466 31.177 32.600 0.072 0.000 1.379 405 M HN 0.387 nan 8.290 nan 0.000 0.420 406 H N -0.105 119.000 119.070 0.057 0.000 2.353 406 H HA -0.168 4.388 4.556 -0.000 0.000 0.300 406 H C 1.833 177.206 175.328 0.075 0.000 1.090 406 H CA 1.964 58.054 56.048 0.070 0.000 1.327 406 H CB -0.298 29.502 29.762 0.065 0.000 1.383 406 H HN 0.220 nan 8.280 nan 0.000 0.508 407 F N 0.026 119.936 119.950 -0.065 0.000 2.102 407 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 407 F C 2.515 178.233 175.800 -0.138 0.000 1.105 407 F CA 1.487 59.406 58.000 -0.135 0.000 1.239 407 F CB -0.980 37.944 39.000 -0.125 0.000 0.991 407 F HN 0.130 nan 8.300 nan 0.000 0.474 408 V N 1.080 120.870 119.914 -0.206 0.000 2.407 408 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 408 V C 2.222 178.152 176.094 -0.273 0.000 1.055 408 V CA 2.483 64.558 62.300 -0.375 0.000 1.049 408 V CB -0.625 30.907 31.823 -0.486 0.000 0.662 408 V HN 0.429 nan 8.190 nan 0.000 0.455 409 N N -0.155 118.467 118.700 -0.130 0.000 2.142 409 N HA -0.108 4.631 4.740 -0.000 0.000 0.186 409 N C 1.845 177.325 175.510 -0.050 0.000 1.023 409 N CA 1.151 54.224 53.050 0.040 0.000 0.852 409 N CB -0.231 38.306 38.487 0.082 0.000 0.998 409 N HN 0.406 nan 8.380 nan 0.000 0.424 410 K N 0.643 120.932 120.400 -0.185 0.000 2.025 410 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 410 K C 2.011 178.572 176.600 -0.066 0.000 1.049 410 K CA 0.748 56.952 56.287 -0.140 0.000 0.933 410 K CB -0.917 31.447 32.500 -0.227 0.000 0.714 410 K HN 0.261 nan 8.250 nan 0.000 0.438 411 Y N 2.448 122.494 120.300 -0.423 0.000 2.128 411 Y HA -0.246 4.303 4.550 -0.000 0.000 0.284 411 Y C 2.216 178.079 175.900 -0.061 0.000 1.154 411 Y CA 2.125 59.969 58.100 -0.427 0.000 1.149 411 Y CB -0.572 37.317 38.460 -0.951 0.000 0.976 411 Y HN 0.068 nan 8.280 nan 0.000 0.505 412 T N 0.971 115.520 114.554 -0.007 0.000 2.869 412 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 412 T C 1.698 176.362 174.700 -0.059 0.000 1.082 412 T CA 1.393 63.520 62.100 0.044 0.000 1.123 412 T CB -0.150 68.855 68.868 0.228 0.000 0.856 412 T HN 0.244 nan 8.240 nan 0.000 0.499 413 K N 0.152 120.483 120.400 -0.116 0.000 2.283 413 K HA 0.050 4.370 4.320 -0.000 0.000 0.202 413 K C 1.185 177.461 176.600 -0.540 0.000 1.048 413 K CA 1.042 57.139 56.287 -0.317 0.000 0.948 413 K CB -0.159 32.110 32.500 -0.384 0.000 0.742 413 K HN 0.450 nan 8.250 nan 0.000 0.458 414 F N -0.429 119.450 119.950 -0.118 0.000 2.778 414 F HA 0.237 4.763 4.527 -0.000 0.000 0.314 414 F C 1.552 177.215 175.800 -0.228 0.000 1.073 414 F CA -0.384 57.517 58.000 -0.165 0.000 1.218 414 F CB -0.244 38.633 39.000 -0.206 0.000 1.037 414 F HN -0.126 nan 8.300 nan 0.000 0.594 415 G N 0.061 108.716 108.800 -0.241 0.000 2.712 415 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.258 415 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.258 415 G C 0.459 175.366 174.900 0.013 0.000 1.241 415 G CA -0.229 44.734 45.100 -0.228 0.000 0.923 415 G HN 0.299 nan 8.290 nan 0.000 0.548 416 N N -0.297 118.472 118.700 0.115 0.000 2.275 416 N HA 0.281 5.021 4.740 -0.000 0.000 0.236 416 N C 0.255 175.832 175.510 0.112 0.000 1.154 416 N CA 0.459 53.564 53.050 0.092 0.000 0.866 416 N CB 0.318 38.857 38.487 0.087 0.000 1.093 416 N HN 0.892 nan 8.380 nan 0.000 0.515 417 G N 0.468 109.346 108.800 0.129 0.000 2.196 417 G HA2 0.023 3.983 3.960 -0.000 0.000 0.215 417 G HA3 0.023 3.983 3.960 -0.000 0.000 0.215 417 G C -1.323 173.620 174.900 0.071 0.000 1.640 417 G CA -0.712 44.433 45.100 0.075 0.000 0.946 417 G HN 0.019 nan 8.290 nan 0.000 0.710 418 T N 1.525 115.994 114.554 -0.142 0.000 2.861 418 T HA 0.676 5.026 4.350 -0.000 0.000 0.287 418 T C -1.303 173.119 174.700 -0.462 0.000 1.003 418 T CA -0.321 61.697 62.100 -0.137 0.000 0.977 418 T CB 1.322 70.204 68.868 0.023 0.000 0.996 418 T HN 0.421 nan 8.240 nan 0.000 0.448 419 Y N 2.185 122.387 120.300 -0.163 0.000 2.327 419 Y HA 0.581 5.131 4.550 -0.000 0.000 0.325 419 Y C -0.508 175.410 175.900 0.030 0.000 0.999 419 Y CA -1.050 56.888 58.100 -0.270 0.000 1.195 419 Y CB 1.326 39.180 38.460 -1.010 0.000 1.132 419 Y HN 0.422 nan 8.280 nan 0.000 0.455 420 L N 6.115 127.635 121.223 0.494 0.000 2.309 420 L HA 0.583 4.923 4.340 -0.000 0.000 0.282 420 L C -1.105 176.225 176.870 0.766 0.000 1.036 420 L CA -0.900 54.200 54.840 0.434 0.000 0.806 420 L CB 0.396 42.575 42.059 0.199 0.000 1.220 420 L HN 0.507 nan 8.230 nan 0.000 0.429 421 Y N 3.428 124.050 120.300 0.537 0.000 2.536 421 Y HA 0.697 5.247 4.550 -0.000 0.000 0.347 421 Y C -1.743 174.409 175.900 0.419 0.000 1.000 421 Y CA -2.037 56.325 58.100 0.437 0.000 1.051 421 Y CB 1.272 39.951 38.460 0.365 0.000 1.259 421 Y HN 0.522 nan 8.280 nan 0.000 0.468 422 F N 5.060 125.301 119.950 0.484 0.000 2.532 422 F HA 0.438 4.965 4.527 -0.000 0.000 0.365 422 F C -1.740 174.337 175.800 0.461 0.000 1.112 422 F CA -1.982 56.222 58.000 0.341 0.000 1.082 422 F CB 0.490 39.651 39.000 0.268 0.000 1.319 422 F HN 0.573 nan 8.300 nan 0.000 0.457 423 F N 7.787 127.794 119.950 0.094 0.000 2.438 423 F HA 0.265 4.792 4.527 -0.000 0.000 0.360 423 F C 0.328 175.975 175.800 -0.254 0.000 1.118 423 F CA -0.144 57.870 58.000 0.023 0.000 1.164 423 F CB 0.425 39.530 39.000 0.175 0.000 1.131 423 F HN 0.534 nan 8.300 nan 0.000 0.527 424 N N 3.663 121.985 118.700 -0.631 0.000 2.571 424 N HA 0.079 4.819 4.740 -0.000 0.000 0.298 424 N C -1.281 173.989 175.510 -0.400 0.000 1.671 424 N CA -0.517 52.268 53.050 -0.442 0.000 0.900 424 N CB -0.600 37.775 38.487 -0.186 0.000 1.365 424 N HN 0.621 nan 8.380 nan 0.000 0.493 425 H N 0.514 119.051 119.070 -0.888 0.000 2.519 425 H HA 0.512 5.068 4.556 -0.000 0.000 0.316 425 H C -0.472 174.726 175.328 -0.217 0.000 1.065 425 H CA -0.651 55.060 56.048 -0.560 0.000 1.264 425 H CB 1.031 30.343 29.762 -0.749 0.000 1.413 425 H HN 0.139 nan 8.280 nan 0.000 0.465 426 R N 4.275 124.398 120.500 -0.628 0.000 2.205 426 R HA 0.499 4.839 4.340 -0.000 0.000 0.342 426 R C -0.708 175.291 176.300 -0.502 0.000 1.058 426 R CA -0.276 55.606 56.100 -0.364 0.000 0.904 426 R CB -0.087 30.094 30.300 -0.198 0.000 1.089 426 R HN 0.740 nan 8.270 nan 0.000 0.471 427 A N 3.403 126.154 122.820 -0.115 0.000 2.531 427 A HA 0.074 4.394 4.320 -0.000 0.000 0.236 427 A C 1.326 178.963 177.584 0.088 0.000 1.062 427 A CA 0.526 52.678 52.037 0.191 0.000 0.760 427 A CB 0.079 19.382 19.000 0.505 0.000 0.995 427 A HN 1.073 nan 8.150 nan 0.000 0.501 428 S N 1.749 117.543 115.700 0.157 0.000 2.370 428 S HA -0.213 4.256 4.470 -0.000 0.000 0.226 428 S C 0.952 175.542 174.600 -0.016 0.000 1.033 428 S CA 1.402 59.642 58.200 0.066 0.000 1.011 428 S CB -0.567 62.696 63.200 0.104 0.000 0.852 428 S HN 0.980 nan 8.310 nan 0.000 0.457 429 N N 0.985 119.632 118.700 -0.089 0.000 2.378 429 N HA 0.289 5.029 4.740 -0.000 0.000 0.243 429 N C -0.478 174.964 175.510 -0.114 0.000 1.137 429 N CA -0.454 52.497 53.050 -0.164 0.000 0.862 429 N CB -0.499 37.779 38.487 -0.349 0.000 1.116 429 N HN 0.343 nan 8.380 nan 0.000 0.499 430 L N 1.179 122.381 121.223 -0.034 0.000 2.455 430 L HA 0.065 4.405 4.340 -0.000 0.000 0.272 430 L C 1.236 178.078 176.870 -0.047 0.000 1.174 430 L CA -0.013 54.825 54.840 -0.002 0.000 0.869 430 L CB 1.138 43.206 42.059 0.014 0.000 1.130 430 L HN 0.257 nan 8.230 nan 0.000 0.474 431 V N 0.938 120.791 119.914 -0.102 0.000 3.649 431 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 431 V C 0.366 176.405 176.094 -0.093 0.000 1.281 431 V CA -0.424 61.781 62.300 -0.158 0.000 1.143 431 V CB -1.206 30.404 31.823 -0.354 0.000 0.892 431 V HN 0.640 nan 8.190 nan 0.000 0.441 432 W N 1.750 123.020 121.300 -0.049 0.000 2.375 432 W HA 0.583 5.243 4.660 -0.000 0.000 0.336 432 W C -1.847 174.547 176.519 -0.209 0.000 1.160 432 W CA -2.413 54.852 57.345 -0.133 0.000 1.266 432 W CB 0.217 29.479 29.460 -0.330 0.000 1.195 432 W HN -0.055 nan 8.180 nan 0.000 0.599 433 P HA -0.098 nan 4.420 nan 0.000 0.268 433 P C 0.253 177.466 177.300 -0.144 0.000 1.208 433 P CA 0.383 63.455 63.100 -0.045 0.000 0.777 433 P CB 1.064 32.786 31.700 0.036 0.000 0.875 434 E N 2.555 122.744 120.200 -0.017 0.000 2.209 434 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 434 E C 1.691 178.307 176.600 0.026 0.000 0.993 434 E CA 1.334 57.733 56.400 -0.002 0.000 0.819 434 E CB -0.427 29.306 29.700 0.054 0.000 0.745 434 E HN 0.635 nan 8.360 nan 0.000 0.477 435 W N -0.245 121.086 121.300 0.052 0.000 2.392 435 W HA -0.157 4.503 4.660 -0.000 0.000 0.279 435 W C 1.269 177.829 176.519 0.067 0.000 1.225 435 W CA 0.459 57.845 57.345 0.069 0.000 1.233 435 W CB -0.706 28.809 29.460 0.091 0.000 1.122 435 W HN 0.082 nan 8.180 nan 0.000 0.561 436 M N 1.394 120.556 119.600 -0.731 0.000 2.476 436 M HA 0.085 4.565 4.480 -0.000 0.000 0.262 436 M C 1.811 177.937 176.300 -0.290 0.000 1.079 436 M CA 1.655 56.487 55.300 -0.780 0.000 1.104 436 M CB -0.770 31.173 32.600 -1.095 0.000 1.409 436 M HN 0.191 nan 8.290 nan 0.000 0.467 437 G N 0.422 109.129 108.800 -0.154 0.000 2.596 437 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.295 437 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.295 437 G C -0.145 174.715 174.900 -0.067 0.000 1.240 437 G CA -0.148 44.918 45.100 -0.057 0.000 0.985 437 G HN 0.218 nan 8.290 nan 0.000 0.555 438 V N 2.138 122.053 119.914 0.002 0.000 2.313 438 V HA 0.359 4.479 4.120 -0.000 0.000 0.252 438 V C 1.159 177.325 176.094 0.120 0.000 1.112 438 V CA -0.068 62.276 62.300 0.073 0.000 0.984 438 V CB -0.090 31.782 31.823 0.083 0.000 1.157 438 V HN 0.519 nan 8.190 nan 0.000 0.493 439 I N 2.914 123.511 120.570 0.044 0.000 2.813 439 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 439 I C 0.968 177.309 176.117 0.374 0.000 1.196 439 I CA -0.313 61.029 61.300 0.070 0.000 1.421 439 I CB 0.138 37.933 38.000 -0.342 0.000 1.365 439 I HN 0.579 nan 8.210 nan 0.000 0.591 440 H N 4.296 123.533 119.070 0.279 0.000 3.107 440 H HA 0.171 4.727 4.556 -0.000 0.000 0.301 440 H C 0.976 176.457 175.328 0.254 0.000 0.981 440 H CA 1.090 57.294 56.048 0.259 0.000 1.443 440 H CB 0.118 30.021 29.762 0.235 0.000 1.479 440 H HN 0.759 nan 8.280 nan 0.000 0.564 441 G N 3.759 112.469 108.800 -0.150 0.000 2.217 441 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.246 441 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.246 441 G C 0.480 175.426 174.900 0.077 0.000 0.990 441 G CA 0.359 45.367 45.100 -0.154 0.000 0.627 441 G HN 0.623 nan 8.290 nan 0.000 0.522 442 Y N 1.646 122.079 120.300 0.222 0.000 2.470 442 Y HA 0.275 4.825 4.550 -0.000 0.000 0.302 442 Y C 2.178 178.182 175.900 0.174 0.000 1.194 442 Y CA 0.812 59.094 58.100 0.302 0.000 1.271 442 Y CB 0.341 39.019 38.460 0.363 0.000 1.092 442 Y HN 0.522 nan 8.280 nan 0.000 0.513 443 E N -0.493 119.663 120.200 -0.073 0.000 2.460 443 E HA 0.003 4.353 4.350 -0.000 0.000 0.200 443 E C 1.537 178.059 176.600 -0.129 0.000 1.011 443 E CA 0.449 56.471 56.400 -0.630 0.000 0.912 443 E CB -0.460 28.544 29.700 -1.159 0.000 0.953 443 E HN 0.512 nan 8.360 nan 0.000 0.494 444 I N 2.666 123.274 120.570 0.063 0.000 2.226 444 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 444 I C 2.539 178.744 176.117 0.147 0.000 1.100 444 I CA 2.034 63.436 61.300 0.171 0.000 1.374 444 I CB -0.356 37.801 38.000 0.261 0.000 1.057 444 I HN 0.198 nan 8.210 nan 0.000 0.413 445 E N 0.621 120.862 120.200 0.068 0.000 2.338 445 E HA -0.200 4.149 4.350 -0.000 0.000 0.197 445 E C 1.862 178.332 176.600 -0.217 0.000 1.007 445 E CA 1.253 57.607 56.400 -0.076 0.000 0.849 445 E CB -0.345 29.294 29.700 -0.101 0.000 0.774 445 E HN 0.439 nan 8.360 nan 0.000 0.506 446 F N 0.826 120.696 119.950 -0.134 0.000 2.317 446 F HA 0.020 4.547 4.527 -0.000 0.000 0.293 446 F C 2.276 177.907 175.800 -0.281 0.000 1.085 446 F CA 0.342 58.219 58.000 -0.206 0.000 1.390 446 F CB 0.012 38.932 39.000 -0.134 0.000 1.077 446 F HN -0.139 nan 8.300 nan 0.000 0.517 447 V N -0.782 119.050 119.914 -0.137 0.000 2.407 447 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 447 V C 1.586 177.470 176.094 -0.349 0.000 1.055 447 V CA 1.667 63.724 62.300 -0.406 0.000 1.049 447 V CB -0.641 30.987 31.823 -0.325 0.000 0.662 447 V HN 0.204 nan 8.190 nan 0.000 0.455 448 F N 0.493 120.305 119.950 -0.230 0.000 2.731 448 F HA 0.399 4.926 4.527 -0.000 0.000 0.304 448 F C 1.806 177.506 175.800 -0.167 0.000 1.133 448 F CA 0.584 58.471 58.000 -0.188 0.000 1.380 448 F CB -0.372 38.504 39.000 -0.207 0.000 1.079 448 F HN 0.256 nan 8.300 nan 0.000 0.550 449 G N 0.095 108.814 108.800 -0.135 0.000 2.168 449 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 449 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 449 G C 1.251 175.862 174.900 -0.481 0.000 0.997 449 G CA 0.459 45.416 45.100 -0.238 0.000 0.708 449 G HN 0.296 nan 8.290 nan 0.000 0.520 450 L N 0.059 120.973 121.223 -0.515 0.000 2.079 450 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 450 L C 0.377 176.800 176.870 -0.746 0.000 1.081 450 L CA 2.702 57.166 54.840 -0.628 0.000 0.752 450 L CB -1.974 39.830 42.059 -0.426 0.000 0.896 450 L HN 0.214 nan 8.230 nan 0.000 0.433 451 P HA -0.130 nan 4.420 nan 0.000 0.223 451 P C 1.830 178.854 177.300 -0.461 0.000 1.144 451 P CA 0.778 63.213 63.100 -1.107 0.000 0.783 451 P CB 0.104 31.113 31.700 -1.152 0.000 0.771 452 L N -1.229 119.744 121.223 -0.417 0.000 2.156 452 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 452 L C 1.257 178.000 176.870 -0.211 0.000 1.095 452 L CA 1.073 55.760 54.840 -0.254 0.000 0.770 452 L CB -0.969 40.965 42.059 -0.207 0.000 0.914 452 L HN -0.107 nan 8.230 nan 0.000 0.439 453 V N 0.778 120.507 119.914 -0.309 0.000 2.415 453 V HA 0.040 4.160 4.120 -0.000 0.000 0.267 453 V C 1.515 177.558 176.094 -0.084 0.000 1.042 453 V CA -0.418 61.767 62.300 -0.193 0.000 1.000 453 V CB 0.407 32.073 31.823 -0.261 0.000 1.015 453 V HN 0.276 nan 8.190 nan 0.000 0.478 454 K N 4.775 125.147 120.400 -0.048 0.000 2.034 454 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 454 K C 1.885 178.476 176.600 -0.015 0.000 1.051 454 K CA 2.204 58.479 56.287 -0.019 0.000 0.931 454 K CB -0.300 32.189 32.500 -0.017 0.000 0.715 454 K HN 0.994 nan 8.250 nan 0.000 0.446 455 E N 1.152 121.337 120.200 -0.025 0.000 2.393 455 E HA -0.183 4.167 4.350 -0.000 0.000 0.201 455 E C 1.815 178.390 176.600 -0.041 0.000 1.025 455 E CA 0.798 57.180 56.400 -0.031 0.000 0.856 455 E CB -0.497 29.184 29.700 -0.031 0.000 0.771 455 E HN 0.366 nan 8.360 nan 0.000 0.526 456 L N 0.362 121.570 121.223 -0.024 0.000 2.599 456 L HA 0.067 4.407 4.340 -0.000 0.000 0.230 456 L C 0.108 176.912 176.870 -0.109 0.000 1.141 456 L CA 0.112 54.931 54.840 -0.035 0.000 0.877 456 L CB -0.782 41.329 42.059 0.087 0.000 1.009 456 L HN 0.137 nan 8.230 nan 0.000 0.447 457 N N -0.765 117.905 118.700 -0.050 0.000 2.725 457 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 457 N C -0.637 174.819 175.510 -0.090 0.000 1.031 457 N CA 0.151 53.160 53.050 -0.068 0.000 0.720 457 N CB -0.825 37.602 38.487 -0.101 0.000 0.930 457 N HN 0.261 nan 8.380 nan 0.000 0.543 458 Y N 0.167 120.433 120.300 -0.057 0.000 2.326 458 Y HA 0.253 4.803 4.550 -0.000 0.000 0.324 458 Y C 1.636 177.536 175.900 -0.001 0.000 1.291 458 Y CA -0.141 57.943 58.100 -0.028 0.000 1.348 458 Y CB 0.710 39.120 38.460 -0.084 0.000 1.294 458 Y HN 0.036 nan 8.280 nan 0.000 0.525 459 T N -1.820 112.866 114.554 0.220 0.000 2.816 459 T HA 0.411 4.761 4.350 -0.000 0.000 0.282 459 T C 1.173 175.939 174.700 0.109 0.000 0.993 459 T CA -0.278 61.903 62.100 0.135 0.000 0.994 459 T CB 1.203 70.152 68.868 0.134 0.000 1.025 459 T HN 0.761 nan 8.240 nan 0.000 0.529 460 A N 1.040 123.900 122.820 0.067 0.000 1.933 460 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 460 A C 2.307 179.914 177.584 0.038 0.000 1.175 460 A CA 1.458 53.519 52.037 0.041 0.000 0.628 460 A CB -0.782 18.234 19.000 0.027 0.000 0.814 460 A HN 0.957 nan 8.150 nan 0.000 0.444 461 E N 0.370 120.601 120.200 0.050 0.000 2.274 461 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 461 E C 1.351 177.972 176.600 0.035 0.000 0.996 461 E CA 1.161 57.579 56.400 0.030 0.000 0.840 461 E CB -0.465 29.251 29.700 0.026 0.000 0.772 461 E HN 0.794 nan 8.360 nan 0.000 0.491 462 E N 1.030 121.299 120.200 0.115 0.000 2.216 462 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 462 E C 1.989 178.677 176.600 0.145 0.000 0.988 462 E CA 0.496 57.042 56.400 0.244 0.000 0.834 462 E CB 0.058 30.024 29.700 0.443 0.000 0.772 462 E HN 0.360 nan 8.360 nan 0.000 0.479 463 E N 0.808 121.025 120.200 0.029 0.000 2.107 463 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 463 E C 1.970 178.552 176.600 -0.031 0.000 0.982 463 E CA 0.810 57.179 56.400 -0.051 0.000 0.809 463 E CB 0.044 29.716 29.700 -0.046 0.000 0.756 463 E HN 0.192 nan 8.360 nan 0.000 0.459 464 A N 1.049 123.862 122.820 -0.012 0.000 1.897 464 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 464 A C 2.089 179.652 177.584 -0.034 0.000 1.181 464 A CA 0.986 53.004 52.037 -0.031 0.000 0.620 464 A CB -0.532 18.451 19.000 -0.028 0.000 0.821 464 A HN 0.363 nan 8.150 nan 0.000 0.443 465 L N -0.146 121.072 121.223 -0.008 0.000 2.017 465 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 465 L C 2.550 179.448 176.870 0.047 0.000 1.073 465 L CA 2.660 57.486 54.840 -0.023 0.000 0.745 465 L CB -0.909 41.078 42.059 -0.120 0.000 0.894 465 L HN 0.329 nan 8.230 nan 0.000 0.432 466 S N -0.675 115.128 115.700 0.171 0.000 2.359 466 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 466 S C 2.199 176.766 174.600 -0.056 0.000 1.035 466 S CA 1.539 59.795 58.200 0.094 0.000 1.018 466 S CB -0.254 62.891 63.200 -0.093 0.000 0.876 466 S HN 0.546 nan 8.310 nan 0.000 0.448 467 R N 0.721 121.180 120.500 -0.067 0.000 2.081 467 R HA -0.065 4.274 4.340 -0.000 0.000 0.235 467 R C 2.656 178.892 176.300 -0.106 0.000 1.131 467 R CA 1.748 57.798 56.100 -0.083 0.000 0.960 467 R CB -0.318 29.934 30.300 -0.081 0.000 0.856 467 R HN 0.604 nan 8.270 nan 0.000 0.436 468 R N 0.268 120.678 120.500 -0.150 0.000 2.153 468 R HA 0.008 4.348 4.340 -0.000 0.000 0.218 468 R C 1.996 178.072 176.300 -0.374 0.000 1.072 468 R CA 1.069 56.989 56.100 -0.299 0.000 0.990 468 R CB -0.403 29.697 30.300 -0.335 0.000 0.889 468 R HN 0.204 nan 8.270 nan 0.000 0.452 469 I N 1.378 121.841 120.570 -0.179 0.000 2.233 469 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 469 I C 2.569 178.580 176.117 -0.177 0.000 1.093 469 I CA 1.376 62.586 61.300 -0.150 0.000 1.380 469 I CB -0.199 37.595 38.000 -0.343 0.000 1.067 469 I HN 0.140 nan 8.210 nan 0.000 0.413 470 M N -0.470 119.014 119.600 -0.193 0.000 2.149 470 M HA -0.273 4.207 4.480 -0.000 0.000 0.261 470 M C 2.397 178.731 176.300 0.056 0.000 1.064 470 M CA 1.815 57.040 55.300 -0.126 0.000 1.102 470 M CB -0.767 31.768 32.600 -0.109 0.000 1.369 470 M HN 0.275 nan 8.290 nan 0.000 0.408 471 H N -0.414 118.631 119.070 -0.042 0.000 2.389 471 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 471 H C 1.572 176.997 175.328 0.161 0.000 1.081 471 H CA 1.890 57.937 56.048 -0.002 0.000 1.345 471 H CB 0.013 29.715 29.762 -0.100 0.000 1.393 471 H HN 0.273 nan 8.280 nan 0.000 0.520 472 Y N -0.861 119.598 120.300 0.264 0.000 2.145 472 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 472 Y C 2.511 178.615 175.900 0.340 0.000 1.145 472 Y CA 1.038 59.343 58.100 0.342 0.000 1.148 472 Y CB -1.013 37.855 38.460 0.681 0.000 0.981 472 Y HN 0.372 nan 8.280 nan 0.000 0.507 473 W N -0.516 120.869 121.300 0.141 0.000 2.355 473 W HA -0.222 4.438 4.660 -0.000 0.000 0.309 473 W C 2.593 179.092 176.519 -0.034 0.000 1.206 473 W CA 1.100 58.457 57.345 0.020 0.000 1.284 473 W CB -0.513 28.892 29.460 -0.093 0.000 1.145 473 W HN 0.056 nan 8.180 nan 0.000 0.502 474 A N 0.109 123.018 122.820 0.148 0.000 1.873 474 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 474 A C 1.816 179.351 177.584 -0.081 0.000 1.186 474 A CA 2.270 54.300 52.037 -0.011 0.000 0.616 474 A CB -1.271 17.705 19.000 -0.041 0.000 0.823 474 A HN 0.195 nan 8.150 nan 0.000 0.442 475 T N -0.673 113.784 114.554 -0.162 0.000 2.788 475 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 475 T C 1.582 176.217 174.700 -0.108 0.000 1.044 475 T CA 1.552 63.535 62.100 -0.194 0.000 1.139 475 T CB -0.378 68.320 68.868 -0.283 0.000 0.867 475 T HN 0.492 nan 8.240 nan 0.000 0.454 476 F N 2.357 122.200 119.950 -0.179 0.000 2.113 476 F HA 0.058 4.585 4.527 -0.000 0.000 0.297 476 F C 2.445 178.149 175.800 -0.161 0.000 1.103 476 F CA 0.918 58.780 58.000 -0.229 0.000 1.248 476 F CB -0.791 38.012 39.000 -0.329 0.000 0.999 476 F HN 0.135 nan 8.300 nan 0.000 0.475 477 A N 0.630 123.317 122.820 -0.222 0.000 1.917 477 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 477 A C 2.261 179.693 177.584 -0.254 0.000 1.182 477 A CA 2.114 54.000 52.037 -0.252 0.000 0.633 477 A CB -0.728 18.208 19.000 -0.107 0.000 0.819 477 A HN 0.515 nan 8.150 nan 0.000 0.448 478 K N -1.401 118.884 120.400 -0.193 0.000 2.167 478 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 478 K C 1.778 178.277 176.600 -0.169 0.000 1.052 478 K CA 1.645 57.843 56.287 -0.148 0.000 0.956 478 K CB -0.072 32.365 32.500 -0.105 0.000 0.735 478 K HN 0.729 nan 8.250 nan 0.000 0.451 479 T N -4.896 109.525 114.554 -0.222 0.000 2.969 479 T HA 0.236 4.586 4.350 -0.000 0.000 0.258 479 T C 1.229 175.788 174.700 -0.235 0.000 0.962 479 T CA 0.471 62.460 62.100 -0.186 0.000 0.903 479 T CB 1.066 69.859 68.868 -0.125 0.000 1.177 479 T HN 0.257 nan 8.240 nan 0.000 0.511 480 G N 1.551 110.077 108.800 -0.456 0.000 2.157 480 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.239 480 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.239 480 G C -0.198 174.637 174.900 -0.110 0.000 0.982 480 G CA 0.041 44.845 45.100 -0.494 0.000 0.650 480 G HN 0.847 nan 8.290 nan 0.000 0.527 481 N N -0.104 118.519 118.700 -0.129 0.000 2.454 481 N HA 0.421 5.161 4.740 -0.000 0.000 0.291 481 N C -1.651 173.727 175.510 -0.219 0.000 1.079 481 N CA -1.416 51.536 53.050 -0.163 0.000 0.893 481 N CB 2.558 41.020 38.487 -0.042 0.000 1.512 481 N HN -0.050 nan 8.380 nan 0.000 0.497 482 P HA -0.046 nan 4.420 nan 0.000 0.226 482 P C -0.444 176.902 177.300 0.077 0.000 1.153 482 P CA 0.668 63.652 63.100 -0.193 0.000 0.777 482 P CB 0.377 31.739 31.700 -0.563 0.000 0.794 483 N N 1.343 120.043 118.700 -0.000 0.000 2.498 483 N HA 0.128 4.868 4.740 -0.000 0.000 0.287 483 N C 0.055 175.614 175.510 0.082 0.000 1.097 483 N CA -0.206 52.929 53.050 0.142 0.000 0.973 483 N CB 1.126 39.697 38.487 0.141 0.000 1.153 483 N HN 0.154 nan 8.380 nan 0.000 0.472 484 E N 2.572 122.843 120.200 0.119 0.000 2.259 484 E HA 0.140 4.490 4.350 -0.000 0.000 0.281 484 E C -1.977 174.609 176.600 -0.023 0.000 1.037 484 E CA -1.555 54.878 56.400 0.055 0.000 0.854 484 E CB 0.561 30.332 29.700 0.118 0.000 1.051 484 E HN 0.314 nan 8.360 nan 0.000 0.409 485 P HA -0.164 nan 4.420 nan 0.000 0.261 485 P C -0.542 176.473 177.300 -0.474 0.000 1.158 485 P CA 0.436 63.360 63.100 -0.293 0.000 0.758 485 P CB -0.052 31.412 31.700 -0.393 0.000 0.763 486 H N 0.636 119.746 119.070 0.067 0.000 2.092 486 H HA -0.203 4.353 4.556 -0.000 0.000 0.328 486 H C 0.612 175.977 175.328 0.062 0.000 0.925 486 H CA 0.440 56.524 56.048 0.061 0.000 1.084 486 H CB -2.338 27.452 29.762 0.048 0.000 1.580 486 H HN 0.426 nan 8.280 nan 0.000 0.346 487 S N -1.249 114.520 115.700 0.115 0.000 2.315 487 S HA 0.066 4.536 4.470 -0.000 0.000 0.196 487 S C 1.535 176.203 174.600 0.114 0.000 1.045 487 S CA 1.032 59.297 58.200 0.108 0.000 1.055 487 S CB 0.105 63.363 63.200 0.097 0.000 0.963 487 S HN 0.636 nan 8.310 nan 0.000 0.439 488 Q N -0.556 119.306 119.800 0.102 0.000 1.920 488 Q HA 0.233 4.573 4.340 -0.000 0.000 0.150 488 Q C -0.799 175.251 176.000 0.084 0.000 0.666 488 Q CA 0.285 56.139 55.803 0.085 0.000 0.856 488 Q CB -0.410 28.366 28.738 0.064 0.000 1.103 488 Q HN 0.442 nan 8.270 nan 0.000 0.309 489 E N 0.980 121.233 120.200 0.089 0.000 2.435 489 E HA 0.278 4.628 4.350 -0.000 0.000 0.256 489 E C -0.484 176.192 176.600 0.125 0.000 1.245 489 E CA 0.492 56.950 56.400 0.097 0.000 0.989 489 E CB 0.387 30.148 29.700 0.101 0.000 0.983 489 E HN 0.225 nan 8.360 nan 0.000 0.480 490 S N 1.270 117.045 115.700 0.125 0.000 2.558 490 S HA 0.026 4.496 4.470 -0.000 0.000 0.287 490 S C -0.016 174.698 174.600 0.190 0.000 1.321 490 S CA -0.019 58.260 58.200 0.131 0.000 1.048 490 S CB 0.252 63.517 63.200 0.108 0.000 0.844 490 S HN 0.179 nan 8.310 nan 0.000 0.512 491 K N 2.012 122.519 120.400 0.178 0.000 2.240 491 K HA 0.143 4.463 4.320 -0.000 0.000 0.271 491 K C -0.562 176.211 176.600 0.289 0.000 1.018 491 K CA -0.443 55.982 56.287 0.230 0.000 0.874 491 K CB 0.870 33.483 32.500 0.188 0.000 1.098 491 K HN 0.686 nan 8.250 nan 0.000 0.458 492 W N 7.574 128.935 121.300 0.102 0.000 2.529 492 W HA 0.123 4.783 4.660 -0.000 0.000 0.319 492 W C -2.259 174.387 176.519 0.212 0.000 1.362 492 W CA -2.211 55.188 57.345 0.089 0.000 1.348 492 W CB -0.014 29.399 29.460 -0.079 0.000 1.403 492 W HN 0.377 nan 8.180 nan 0.000 0.519 493 P HA 0.142 nan 4.420 nan 0.000 0.277 493 P C -0.207 177.292 177.300 0.332 0.000 1.240 493 P CA -0.295 63.033 63.100 0.380 0.000 0.798 493 P CB 1.648 33.488 31.700 0.234 0.000 0.979 494 L N 1.923 123.197 121.223 0.085 0.000 2.467 494 L HA 0.150 4.490 4.340 -0.000 0.000 0.270 494 L C 0.810 177.663 176.870 -0.029 0.000 1.205 494 L CA -0.386 54.308 54.840 -0.243 0.000 0.828 494 L CB -0.152 41.779 42.059 -0.214 0.000 1.101 494 L HN 0.351 nan 8.230 nan 0.000 0.479 495 F N 2.148 121.981 119.950 -0.195 0.000 2.405 495 F HA 0.362 4.889 4.527 -0.000 0.000 0.355 495 F C 0.373 176.139 175.800 -0.056 0.000 1.121 495 F CA -0.555 57.424 58.000 -0.034 0.000 1.112 495 F CB 0.980 39.985 39.000 0.009 0.000 1.126 495 F HN 0.446 nan 8.300 nan 0.000 0.481 496 T N 1.019 115.285 114.554 -0.481 0.000 2.912 496 T HA 0.190 4.540 4.350 -0.000 0.000 0.288 496 T C 0.905 175.317 174.700 -0.480 0.000 1.030 496 T CA -0.088 61.821 62.100 -0.319 0.000 1.020 496 T CB 1.512 70.260 68.868 -0.199 0.000 1.056 496 T HN 0.660 nan 8.240 nan 0.000 0.480 497 T N -0.283 114.146 114.554 -0.209 0.000 2.929 497 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 497 T C 1.454 176.056 174.700 -0.163 0.000 1.085 497 T CA 1.623 63.638 62.100 -0.142 0.000 1.125 497 T CB -0.461 68.367 68.868 -0.067 0.000 0.874 497 T HN 0.729 nan 8.240 nan 0.000 0.494 498 K N -0.450 119.848 120.400 -0.172 0.000 2.056 498 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 498 K C 2.255 178.767 176.600 -0.147 0.000 1.035 498 K CA 0.912 57.123 56.287 -0.127 0.000 0.955 498 K CB -0.010 32.434 32.500 -0.094 0.000 0.769 498 K HN 0.157 nan 8.250 nan 0.000 0.447 499 E N 0.791 120.882 120.200 -0.182 0.000 2.112 499 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 499 E C -0.222 176.247 176.600 -0.219 0.000 0.979 499 E CA 0.617 56.923 56.400 -0.157 0.000 0.814 499 E CB 0.274 29.902 29.700 -0.119 0.000 0.762 499 E HN 0.247 nan 8.360 nan 0.000 0.460 500 Q N -0.052 119.445 119.800 -0.504 0.000 2.475 500 Q HA -0.233 4.107 4.340 -0.000 0.000 0.280 500 Q C -0.788 175.128 176.000 -0.140 0.000 1.234 500 Q CA 0.525 55.854 55.803 -0.790 0.000 0.873 500 Q CB -1.580 26.976 28.738 -0.304 0.000 1.256 500 Q HN 0.196 nan 8.270 nan 0.000 0.475 501 K N 0.447 120.813 120.400 -0.056 0.000 2.219 501 K HA 0.549 4.869 4.320 -0.000 0.000 0.258 501 K C 0.024 176.932 176.600 0.513 0.000 1.008 501 K CA 0.270 56.663 56.287 0.177 0.000 0.928 501 K CB 0.411 32.962 32.500 0.085 0.000 0.983 501 K HN 0.222 nan 8.250 nan 0.000 0.484 502 F N -0.644 119.493 119.950 0.311 0.000 2.719 502 F HA 0.515 5.042 4.527 -0.000 0.000 0.309 502 F C -1.303 174.634 175.800 0.229 0.000 1.138 502 F CA -1.472 56.746 58.000 0.365 0.000 0.943 502 F CB 0.674 39.892 39.000 0.364 0.000 1.304 502 F HN 0.432 nan 8.300 nan 0.000 0.445 503 I N -0.402 120.312 120.570 0.240 0.000 2.797 503 I HA 0.676 4.846 4.170 -0.000 0.000 0.307 503 I C -1.065 175.209 176.117 0.261 0.000 1.033 503 I CA -0.803 60.479 61.300 -0.031 0.000 1.071 503 I CB 1.951 39.704 38.000 -0.412 0.000 1.255 503 I HN 0.469 nan 8.210 nan 0.000 0.445 504 D N 3.441 123.972 120.400 0.219 0.000 2.225 504 D HA 0.461 5.101 4.640 -0.000 0.000 0.249 504 D C -0.905 175.466 176.300 0.118 0.000 1.052 504 D CA -0.002 54.200 54.000 0.336 0.000 0.909 504 D CB 2.184 43.186 40.800 0.338 0.000 1.186 504 D HN 0.227 nan 8.370 nan 0.000 0.431 505 L N 3.069 124.357 121.223 0.107 0.000 2.318 505 L HA 0.320 4.660 4.340 -0.000 0.000 0.277 505 L C -0.440 176.322 176.870 -0.181 0.000 1.008 505 L CA -0.410 54.437 54.840 0.011 0.000 0.846 505 L CB 0.039 42.187 42.059 0.148 0.000 1.220 505 L HN 0.522 nan 8.230 nan 0.000 0.423 506 N N -0.450 118.151 118.700 -0.165 0.000 3.378 506 N HA 0.260 5.000 4.740 -0.000 0.000 0.294 506 N C 0.354 175.732 175.510 -0.221 0.000 1.544 506 N CA -0.068 52.823 53.050 -0.265 0.000 0.872 506 N CB 0.361 38.761 38.487 -0.145 0.000 1.670 506 N HN 0.099 nan 8.380 nan 0.000 0.551 507 T N -3.427 110.979 114.554 -0.247 0.000 3.160 507 T HA 0.166 4.516 4.350 -0.000 0.000 0.257 507 T C -0.026 174.637 174.700 -0.061 0.000 1.147 507 T CA 0.506 62.505 62.100 -0.168 0.000 1.064 507 T CB -0.530 68.240 68.868 -0.163 0.000 0.949 507 T HN 0.507 nan 8.240 nan 0.000 0.526 508 E N 1.735 121.915 120.200 -0.034 0.000 2.254 508 E HA 0.426 4.776 4.350 -0.000 0.000 0.261 508 E C -2.563 174.036 176.600 -0.002 0.000 1.051 508 E CA -2.647 53.751 56.400 -0.004 0.000 0.902 508 E CB 0.401 30.110 29.700 0.016 0.000 1.168 508 E HN 0.142 nan 8.360 nan 0.000 0.423 509 P HA -0.093 nan 4.420 nan 0.000 0.267 509 P C -0.478 176.825 177.300 0.004 0.000 1.200 509 P CA 0.273 63.378 63.100 0.009 0.000 0.772 509 P CB 0.386 32.092 31.700 0.009 0.000 0.855 510 M N 2.455 122.062 119.600 0.011 0.000 2.245 510 M HA -0.030 4.450 4.480 -0.000 0.000 0.335 510 M C -0.108 176.160 176.300 -0.054 0.000 1.155 510 M CA 0.962 56.256 55.300 -0.010 0.000 1.055 510 M CB 0.049 32.657 32.600 0.015 0.000 1.670 510 M HN 0.117 nan 8.290 nan 0.000 0.447 511 K N 3.819 124.157 120.400 -0.104 0.000 2.545 511 K HA 0.485 4.805 4.320 -0.000 0.000 0.252 511 K C -1.719 174.644 176.600 -0.394 0.000 0.948 511 K CA -0.633 55.517 56.287 -0.229 0.000 0.827 511 K CB 1.823 34.206 32.500 -0.194 0.000 1.128 511 K HN 0.557 nan 8.250 nan 0.000 0.429 512 V N 5.062 124.739 119.914 -0.396 0.000 2.546 512 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 512 V C 0.086 175.793 176.094 -0.644 0.000 1.050 512 V CA -0.370 61.694 62.300 -0.393 0.000 0.981 512 V CB 0.996 32.709 31.823 -0.183 0.000 0.990 512 V HN 0.758 nan 8.190 nan 0.000 0.474 513 H N 2.984 121.715 119.070 -0.565 0.000 2.906 513 H HA 0.642 5.198 4.556 -0.000 0.000 0.337 513 H C -1.006 174.026 175.328 -0.492 0.000 1.257 513 H CA -0.799 54.865 56.048 -0.639 0.000 1.192 513 H CB 2.225 31.330 29.762 -1.094 0.000 1.912 513 H HN 0.572 nan 8.280 nan 0.000 0.573 514 Q N 0.393 120.192 119.800 -0.002 0.000 2.389 514 Q HA 0.355 4.695 4.340 -0.000 0.000 0.277 514 Q C -0.681 175.523 176.000 0.340 0.000 1.082 514 Q CA -0.877 55.031 55.803 0.175 0.000 0.810 514 Q CB 2.953 31.736 28.738 0.075 0.000 1.374 514 Q HN 0.478 nan 8.270 nan 0.000 0.422 515 R N 1.018 121.733 120.500 0.359 0.000 3.079 515 R HA -0.204 4.136 4.340 -0.000 0.000 0.254 515 R C -0.489 175.963 176.300 0.252 0.000 0.900 515 R CA -0.136 56.131 56.100 0.278 0.000 0.641 515 R CB -1.492 28.906 30.300 0.164 0.000 1.307 515 R HN 0.479 nan 8.270 nan 0.000 0.477 516 L N 2.469 123.801 121.223 0.181 0.000 2.660 516 L HA -0.048 4.291 4.340 -0.000 0.000 0.272 516 L C 0.841 177.669 176.870 -0.070 0.000 1.194 516 L CA 0.776 55.495 54.840 -0.202 0.000 0.945 516 L CB -0.265 41.368 42.059 -0.710 0.000 1.212 516 L HN 0.469 nan 8.230 nan 0.000 0.490 517 R N 2.224 122.691 120.500 -0.056 0.000 3.301 517 R HA -0.201 4.139 4.340 -0.000 0.000 0.249 517 R C 1.265 177.621 176.300 0.093 0.000 0.964 517 R CA 0.601 56.715 56.100 0.024 0.000 0.653 517 R CB -1.902 28.425 30.300 0.044 0.000 1.043 517 R HN 0.777 nan 8.270 nan 0.000 0.454 518 V N -2.898 117.072 119.914 0.093 0.000 2.255 518 V HA -0.348 3.771 4.120 -0.000 0.000 0.247 518 V C 2.266 178.430 176.094 0.116 0.000 1.051 518 V CA 2.089 64.457 62.300 0.113 0.000 1.018 518 V CB -0.513 31.370 31.823 0.100 0.000 0.641 518 V HN 0.349 nan 8.190 nan 0.000 0.445 519 Q N -0.170 119.678 119.800 0.081 0.000 2.029 519 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 519 Q C 2.191 178.245 176.000 0.089 0.000 0.999 519 Q CA 2.535 58.370 55.803 0.054 0.000 0.857 519 Q CB -0.468 28.272 28.738 0.003 0.000 0.926 519 Q HN 0.561 nan 8.270 nan 0.000 0.415 520 M N -1.059 118.616 119.600 0.125 0.000 2.175 520 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 520 M C 2.421 178.998 176.300 0.463 0.000 1.063 520 M CA 1.003 56.450 55.300 0.246 0.000 1.119 520 M CB -1.323 31.492 32.600 0.358 0.000 1.377 520 M HN 0.352 nan 8.290 nan 0.000 0.415 521 c N -0.426 118.402 118.600 0.379 0.000 2.435 521 c HA -0.048 4.522 4.570 -0.000 0.000 0.279 521 c C 2.946 177.222 174.090 0.309 0.000 1.321 521 c CA 0.317 56.879 56.329 0.388 0.000 1.752 521 c CB -0.859 41.807 42.510 0.260 0.000 1.959 521 c HN 0.331 nan 8.230 nan 0.000 0.500 522 V N 0.570 120.626 119.914 0.236 0.000 2.407 522 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 522 V C 2.054 178.273 176.094 0.208 0.000 1.055 522 V CA 2.230 64.644 62.300 0.189 0.000 1.049 522 V CB -0.799 31.108 31.823 0.139 0.000 0.662 522 V HN 0.561 nan 8.190 nan 0.000 0.455 523 F N -0.053 119.932 119.950 0.058 0.000 2.075 523 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 523 F C 2.008 177.802 175.800 -0.010 0.000 1.113 523 F CA 1.621 59.607 58.000 -0.023 0.000 1.218 523 F CB -0.488 38.367 39.000 -0.240 0.000 0.984 523 F HN 0.166 nan 8.300 nan 0.000 0.472 524 W N 0.611 121.967 121.300 0.092 0.000 2.388 524 W HA -0.132 4.528 4.660 -0.000 0.000 0.294 524 W C 2.176 178.664 176.519 -0.053 0.000 1.212 524 W CA 0.893 58.229 57.345 -0.015 0.000 1.271 524 W CB -0.447 29.127 29.460 0.190 0.000 1.126 524 W HN -0.012 nan 8.180 nan 0.000 0.535 525 N N -0.564 118.263 118.700 0.211 0.000 2.368 525 N HA -0.031 4.709 4.740 -0.000 0.000 0.176 525 N C 1.399 176.921 175.510 0.020 0.000 1.021 525 N CA 1.031 54.125 53.050 0.074 0.000 0.888 525 N CB -0.217 38.338 38.487 0.115 0.000 0.995 525 N HN 0.262 nan 8.380 nan 0.000 0.437 526 Q N -0.743 119.090 119.800 0.055 0.000 2.525 526 Q HA 0.260 4.600 4.340 -0.000 0.000 0.203 526 Q C 1.474 177.489 176.000 0.024 0.000 0.947 526 Q CA 0.000 55.834 55.803 0.051 0.000 0.881 526 Q CB -0.242 28.558 28.738 0.104 0.000 1.049 526 Q HN 0.124 nan 8.270 nan 0.000 0.600 527 F N 1.039 120.922 119.950 -0.111 0.000 2.051 527 F HA -0.206 4.321 4.527 -0.000 0.000 0.296 527 F C 1.850 177.496 175.800 -0.257 0.000 1.122 527 F CA 1.175 59.087 58.000 -0.147 0.000 1.201 527 F CB -0.473 38.477 39.000 -0.082 0.000 0.978 527 F HN 0.134 nan 8.300 nan 0.000 0.472 528 L N 1.027 121.891 121.223 -0.598 0.000 2.013 528 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 528 L C -0.820 175.798 176.870 -0.421 0.000 1.073 528 L CA 2.253 56.683 54.840 -0.683 0.000 0.753 528 L CB -1.931 39.645 42.059 -0.804 0.000 0.890 528 L HN 0.018 nan 8.230 nan 0.000 0.432 529 P HA -0.192 nan 4.420 nan 0.000 0.215 529 P C 1.387 178.575 177.300 -0.186 0.000 1.153 529 P CA 1.738 64.743 63.100 -0.157 0.000 0.853 529 P CB -0.038 31.601 31.700 -0.101 0.000 0.788 530 K N -1.074 119.183 120.400 -0.238 0.000 2.097 530 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 530 K C 1.966 178.394 176.600 -0.288 0.000 1.050 530 K CA 0.926 57.082 56.287 -0.218 0.000 0.938 530 K CB -0.851 31.538 32.500 -0.185 0.000 0.718 530 K HN 0.068 nan 8.250 nan 0.000 0.442 531 L N 1.544 122.477 121.223 -0.483 0.000 2.017 531 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 531 L C 1.854 178.574 176.870 -0.251 0.000 1.073 531 L CA 1.610 56.181 54.840 -0.448 0.000 0.745 531 L CB -0.351 41.322 42.059 -0.643 0.000 0.894 531 L HN 0.108 nan 8.230 nan 0.000 0.432 532 L N -0.481 120.609 121.223 -0.222 0.000 2.109 532 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 532 L C 2.274 179.087 176.870 -0.094 0.000 1.086 532 L CA 1.370 56.128 54.840 -0.136 0.000 0.760 532 L CB -0.762 41.236 42.059 -0.102 0.000 0.910 532 L HN 0.423 nan 8.230 nan 0.000 0.437 533 N N 0.573 119.214 118.700 -0.099 0.000 2.309 533 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 533 N C 1.691 177.164 175.510 -0.063 0.000 1.018 533 N CA 1.269 54.278 53.050 -0.068 0.000 0.876 533 N CB 0.111 38.558 38.487 -0.066 0.000 0.972 533 N HN 0.267 nan 8.380 nan 0.000 0.434 534 A N -1.277 121.494 122.820 -0.082 0.000 1.930 534 A HA 0.232 4.551 4.320 -0.000 0.000 0.215 534 A C 0.615 178.169 177.584 -0.051 0.000 1.176 534 A CA 1.326 53.325 52.037 -0.064 0.000 0.632 534 A CB -0.223 18.732 19.000 -0.076 0.000 0.819 534 A HN 0.346 nan 8.150 nan 0.000 0.445 535 T N 0.000 114.518 114.554 -0.059 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.072 62.100 -0.046 0.000 1.349 535 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658