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 1w76_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 XXXXXXFSFV 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 EPXXXXSKWP 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 0.074 0.000 1.055 4 S CA 0.000 58.229 58.200 0.049 0.000 1.107 4 S CB 0.000 63.230 63.200 0.049 0.000 0.593 5 E N 2.926 123.178 120.200 0.087 0.000 2.208 5 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 5 E C 1.136 177.870 176.600 0.223 0.000 0.988 5 E CA 0.906 57.387 56.400 0.134 0.000 0.828 5 E CB 0.023 29.794 29.700 0.119 0.000 0.763 5 E HN 0.726 nan 8.360 nan 0.000 0.478 6 L N 0.552 121.874 121.223 0.165 0.000 2.477 6 L HA 0.142 4.481 4.340 -0.000 0.000 0.220 6 L C 0.536 177.575 176.870 0.282 0.000 1.106 6 L CA -0.285 54.657 54.840 0.171 0.000 0.851 6 L CB 0.289 42.351 42.059 0.006 0.000 0.994 6 L HN 0.178 nan 8.230 nan 0.000 0.462 7 L N 1.042 122.385 121.223 0.201 0.000 2.257 7 L HA 0.477 4.817 4.340 -0.000 0.000 0.290 7 L C -0.619 176.330 176.870 0.132 0.000 1.044 7 L CA -0.025 54.924 54.840 0.181 0.000 0.810 7 L CB 1.237 43.360 42.059 0.106 0.000 1.193 7 L HN -0.318 nan 8.230 nan 0.000 0.425 8 V N 4.894 124.887 119.914 0.132 0.000 2.735 8 V HA 0.528 4.648 4.120 -0.000 0.000 0.310 8 V C -0.401 175.648 176.094 -0.075 0.000 1.061 8 V CA -0.864 61.373 62.300 -0.104 0.000 0.913 8 V CB 2.037 33.539 31.823 -0.536 0.000 1.005 8 V HN 0.757 nan 8.190 nan 0.000 0.428 9 N N 2.137 120.712 118.700 -0.208 0.000 2.408 9 N HA 0.589 5.329 4.740 -0.000 0.000 0.280 9 N C -0.383 174.867 175.510 -0.433 0.000 1.002 9 N CA -0.022 52.884 53.050 -0.241 0.000 0.907 9 N CB 2.120 40.433 38.487 -0.289 0.000 1.161 9 N HN 0.962 nan 8.380 nan 0.000 0.488 10 T N -0.796 113.598 114.554 -0.266 0.000 2.910 10 T HA 0.388 4.738 4.350 -0.000 0.000 0.287 10 T C 0.974 175.498 174.700 -0.293 0.000 1.050 10 T CA -0.606 61.338 62.100 -0.260 0.000 1.011 10 T CB 1.417 70.358 68.868 0.121 0.000 1.195 10 T HN 0.329 nan 8.240 nan 0.000 0.540 11 K N 0.312 120.588 120.400 -0.207 0.000 2.442 11 K HA 0.029 4.349 4.320 -0.000 0.000 0.198 11 K C 1.542 178.029 176.600 -0.188 0.000 1.044 11 K CA 0.872 57.056 56.287 -0.172 0.000 0.948 11 K CB -0.076 32.372 32.500 -0.086 0.000 0.762 11 K HN 0.433 nan 8.250 nan 0.000 0.472 12 S N -0.574 114.990 115.700 -0.226 0.000 2.526 12 S HA 0.213 4.683 4.470 -0.000 0.000 0.220 12 S C 0.355 174.243 174.600 -1.188 0.000 1.017 12 S CA 0.132 58.075 58.200 -0.429 0.000 0.930 12 S CB 1.336 64.484 63.200 -0.087 0.000 0.856 12 S HN 0.518 nan 8.310 nan 0.000 0.497 13 G N 1.173 109.421 108.800 -0.920 0.000 2.368 13 G HA2 0.172 4.131 3.960 -0.000 0.000 0.302 13 G HA3 0.172 4.131 3.960 -0.000 0.000 0.302 13 G C -1.881 172.902 174.900 -0.195 0.000 1.329 13 G CA -1.086 43.393 45.100 -1.034 0.000 0.935 13 G HN 0.032 nan 8.290 nan 0.000 0.590 14 K N -0.769 119.722 120.400 0.151 0.000 2.126 14 K HA 0.686 5.006 4.320 -0.000 0.000 0.257 14 K C -0.649 176.325 176.600 0.622 0.000 1.007 14 K CA -0.562 55.908 56.287 0.304 0.000 0.928 14 K CB 2.063 34.694 32.500 0.218 0.000 1.013 14 K HN 0.361 nan 8.250 nan 0.000 0.473 15 V N 2.298 122.505 119.914 0.489 0.000 2.888 15 V HA 0.267 4.387 4.120 -0.000 0.000 0.309 15 V C -1.340 175.030 176.094 0.460 0.000 1.114 15 V CA -0.886 61.760 62.300 0.576 0.000 0.940 15 V CB 2.052 34.283 31.823 0.680 0.000 1.021 15 V HN 0.703 nan 8.190 nan 0.000 0.426 16 M N 4.208 124.040 119.600 0.388 0.000 2.043 16 M HA 0.740 5.220 4.480 -0.000 0.000 0.322 16 M C 0.109 176.482 176.300 0.122 0.000 0.962 16 M CA -0.134 55.309 55.300 0.239 0.000 0.927 16 M CB 0.888 33.571 32.600 0.140 0.000 1.466 16 M HN 0.727 nan 8.290 nan 0.000 0.412 17 G N 1.637 110.388 108.800 -0.081 0.000 2.543 17 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 17 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 17 G C -0.865 173.789 174.900 -0.410 0.000 1.310 17 G CA -0.350 44.368 45.100 -0.638 0.000 1.025 17 G HN 0.658 nan 8.290 nan 0.000 0.502 18 T N -1.914 112.382 114.554 -0.430 0.000 2.916 18 T HA 0.562 4.912 4.350 -0.000 0.000 0.292 18 T C -0.342 174.236 174.700 -0.204 0.000 1.064 18 T CA -0.789 61.166 62.100 -0.240 0.000 1.011 18 T CB 1.434 70.194 68.868 -0.179 0.000 1.152 18 T HN 0.641 nan 8.240 nan 0.000 0.510 19 R N 2.407 122.844 120.500 -0.104 0.000 2.229 19 R HA 0.656 4.996 4.340 -0.000 0.000 0.328 19 R C -0.607 175.703 176.300 0.017 0.000 1.009 19 R CA -0.608 55.472 56.100 -0.032 0.000 0.864 19 R CB 0.628 30.913 30.300 -0.025 0.000 1.085 19 R HN 0.536 nan 8.270 nan 0.000 0.453 20 V N 2.117 122.068 119.914 0.062 0.000 2.769 20 V HA 0.748 4.868 4.120 -0.000 0.000 0.312 20 V C -2.638 173.507 176.094 0.085 0.000 1.061 20 V CA -2.713 59.627 62.300 0.067 0.000 0.931 20 V CB 1.848 33.694 31.823 0.037 0.000 1.010 20 V HN 0.806 nan 8.190 nan 0.000 0.433 21 P HA 0.444 nan 4.420 nan 0.000 0.284 21 P C -1.021 176.138 177.300 -0.235 0.000 1.253 21 P CA -0.297 62.660 63.100 -0.239 0.000 0.800 21 P CB 1.712 33.295 31.700 -0.196 0.000 0.961 22 V N 4.611 124.304 119.914 -0.368 0.000 2.488 22 V HA 0.149 4.269 4.120 -0.000 0.000 0.293 22 V C 0.641 176.488 176.094 -0.411 0.000 1.027 22 V CA -0.850 61.235 62.300 -0.358 0.000 0.862 22 V CB 0.981 32.478 31.823 -0.543 0.000 1.008 22 V HN 0.483 nan 8.190 nan 0.000 0.428 23 L N 4.399 125.522 121.223 -0.167 0.000 3.879 23 L HA -0.241 4.099 4.340 -0.000 0.000 0.481 23 L C 0.898 177.657 176.870 -0.184 0.000 1.232 23 L CA 0.731 55.489 54.840 -0.137 0.000 0.736 23 L CB -1.702 40.303 42.059 -0.089 0.000 1.511 23 L HN 1.324 nan 8.230 nan 0.000 0.830 24 S N -2.237 113.344 115.700 -0.198 0.000 3.711 24 S HA -0.145 4.325 4.470 -0.000 0.000 0.374 24 S C 0.013 174.501 174.600 -0.187 0.000 0.969 24 S CA 0.994 59.091 58.200 -0.172 0.000 1.198 24 S CB -1.204 61.952 63.200 -0.073 0.000 0.903 24 S HN 1.378 nan 8.310 nan 0.000 0.493 25 S N -0.187 115.291 115.700 -0.369 0.000 2.680 25 S HA 0.768 5.237 4.470 -0.000 0.000 0.276 25 S C -1.659 172.616 174.600 -0.541 0.000 1.189 25 S CA -0.351 57.712 58.200 -0.230 0.000 0.909 25 S CB 0.748 63.893 63.200 -0.092 0.000 1.227 25 S HN 0.977 nan 8.310 nan 0.000 0.501 26 H N -0.315 118.735 119.070 -0.034 0.000 3.008 26 H HA 0.823 5.379 4.556 -0.000 0.000 0.354 26 H C -0.595 174.778 175.328 0.074 0.000 1.252 26 H CA -0.149 55.893 56.048 -0.011 0.000 1.117 26 H CB 1.344 31.114 29.762 0.013 0.000 1.857 26 H HN 0.777 nan 8.280 nan 0.000 0.547 27 I N -2.597 118.101 120.570 0.214 0.000 3.263 27 I HA 0.647 4.817 4.170 -0.000 0.000 0.314 27 I C -1.079 175.154 176.117 0.194 0.000 1.269 27 I CA -1.077 60.365 61.300 0.237 0.000 0.942 27 I CB 2.445 40.622 38.000 0.295 0.000 1.305 27 I HN 0.373 nan 8.210 nan 0.000 0.474 28 S N 1.575 117.412 115.700 0.230 0.000 2.499 28 S HA 0.788 5.258 4.470 -0.000 0.000 0.279 28 S C -0.220 174.453 174.600 0.121 0.000 1.219 28 S CA -0.463 57.832 58.200 0.159 0.000 1.062 28 S CB 1.269 64.681 63.200 0.352 0.000 0.978 28 S HN 0.833 nan 8.310 nan 0.000 0.489 29 A N 2.709 125.388 122.820 -0.235 0.000 2.374 29 A HA 0.798 5.118 4.320 -0.000 0.000 0.305 29 A C -1.325 175.888 177.584 -0.618 0.000 1.053 29 A CA -0.649 51.175 52.037 -0.355 0.000 0.726 29 A CB 0.561 19.331 19.000 -0.384 0.000 1.229 29 A HN 0.645 nan 8.150 nan 0.000 0.431 30 F N 2.771 122.585 119.950 -0.226 0.000 2.434 30 F HA 0.457 4.984 4.527 -0.000 0.000 0.367 30 F C -0.215 175.457 175.800 -0.213 0.000 1.093 30 F CA -0.500 57.450 58.000 -0.083 0.000 1.085 30 F CB 1.210 40.270 39.000 0.100 0.000 1.322 30 F HN 0.360 nan 8.300 nan 0.000 0.452 31 L N 2.134 123.282 121.223 -0.125 0.000 2.325 31 L HA 0.677 5.017 4.340 -0.000 0.000 0.279 31 L C 1.061 177.944 176.870 0.021 0.000 1.054 31 L CA -0.935 53.821 54.840 -0.141 0.000 0.804 31 L CB 1.400 43.273 42.059 -0.312 0.000 1.200 31 L HN 0.842 nan 8.230 nan 0.000 0.436 32 G N 3.154 111.996 108.800 0.071 0.000 2.273 32 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 32 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 32 G C -0.077 174.915 174.900 0.152 0.000 1.047 32 G CA -0.240 44.917 45.100 0.095 0.000 0.869 32 G HN 0.493 nan 8.290 nan 0.000 0.502 33 I N 2.209 122.781 120.570 0.003 0.000 2.471 33 I HA 0.222 4.392 4.170 -0.000 0.000 0.286 33 I C -1.284 174.614 176.117 -0.365 0.000 1.079 33 I CA -2.093 59.027 61.300 -0.301 0.000 1.398 33 I CB 1.109 38.933 38.000 -0.294 0.000 1.403 33 I HN 0.007 nan 8.210 nan 0.000 0.530 34 P HA 0.045 nan 4.420 nan 0.000 0.276 34 P C -0.346 176.591 177.300 -0.605 0.000 1.230 34 P CA 0.047 62.606 63.100 -0.902 0.000 0.776 34 P CB 0.608 31.658 31.700 -1.083 0.000 0.888 35 F N 0.890 120.493 119.950 -0.578 0.000 2.746 35 F HA 0.735 5.262 4.527 -0.000 0.000 0.320 35 F C -0.038 175.659 175.800 -0.171 0.000 1.097 35 F CA -0.742 57.007 58.000 -0.418 0.000 1.195 35 F CB 0.170 38.883 39.000 -0.478 0.000 1.056 35 F HN 0.366 nan 8.300 nan 0.000 0.562 36 A N -0.005 122.416 122.820 -0.665 0.000 2.593 36 A HA 0.654 4.974 4.320 -0.000 0.000 0.290 36 A C -1.107 176.276 177.584 -0.334 0.000 1.126 36 A CA -0.737 51.066 52.037 -0.390 0.000 0.695 36 A CB 1.032 19.739 19.000 -0.487 0.000 1.290 36 A HN 0.033 nan 8.150 nan 0.000 0.414 37 E N 1.316 121.415 120.200 -0.168 0.000 2.289 37 E HA 0.351 4.701 4.350 -0.000 0.000 0.278 37 E C -2.395 174.119 176.600 -0.144 0.000 1.032 37 E CA -1.687 54.647 56.400 -0.111 0.000 0.854 37 E CB 0.370 30.049 29.700 -0.035 0.000 1.046 37 E HN 0.237 nan 8.360 nan 0.000 0.409 38 P HA -0.044 nan 4.420 nan 0.000 0.257 38 P C -2.210 175.046 177.300 -0.074 0.000 1.162 38 P CA -0.521 62.516 63.100 -0.105 0.000 0.762 38 P CB -0.042 31.636 31.700 -0.036 0.000 0.753 39 P HA 0.007 nan 4.420 nan 0.000 0.218 39 P C -0.107 177.160 177.300 -0.054 0.000 1.793 39 P CA 0.069 63.136 63.100 -0.056 0.000 0.941 39 P CB -0.143 31.527 31.700 -0.051 0.000 1.919 40 V N -2.314 117.574 119.914 -0.043 0.000 3.211 40 V HA 0.869 4.989 4.120 -0.000 0.000 0.319 40 V C 1.051 177.121 176.094 -0.039 0.000 1.096 40 V CA 0.233 62.509 62.300 -0.041 0.000 1.029 40 V CB 0.479 32.288 31.823 -0.024 0.000 1.137 40 V HN 0.547 nan 8.190 nan 0.000 0.453 41 G N 0.843 109.618 108.800 -0.041 0.000 2.611 41 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.301 41 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.301 41 G C 0.901 175.780 174.900 -0.035 0.000 1.233 41 G CA 1.553 46.633 45.100 -0.032 0.000 0.993 41 G HN 2.153 nan 8.290 nan 0.000 0.553 42 N N -0.543 118.154 118.700 -0.004 0.000 2.609 42 N HA 0.179 4.919 4.740 -0.000 0.000 0.190 42 N C 2.148 177.668 175.510 0.016 0.000 1.157 42 N CA 2.238 55.299 53.050 0.018 0.000 0.918 42 N CB -0.327 38.184 38.487 0.041 0.000 0.978 42 N HN 0.511 nan 8.380 nan 0.000 0.448 43 M N -0.188 119.407 119.600 -0.008 0.000 2.394 43 M HA 0.109 4.589 4.480 -0.000 0.000 0.266 43 M C 1.224 177.506 176.300 -0.031 0.000 1.098 43 M CA 0.148 55.444 55.300 -0.008 0.000 1.149 43 M CB -0.834 31.757 32.600 -0.016 0.000 1.369 43 M HN 0.431 nan 8.290 nan 0.000 0.450 44 R N 0.685 121.120 120.500 -0.107 0.000 2.494 44 R HA -0.156 4.183 4.340 -0.000 0.000 0.291 44 R C -0.549 175.614 176.300 -0.229 0.000 0.953 44 R CA 0.729 56.662 56.100 -0.278 0.000 1.098 44 R CB -0.013 29.991 30.300 -0.493 0.000 0.911 44 R HN 0.267 nan 8.270 nan 0.000 0.407 45 F N -0.160 119.771 119.950 -0.031 0.000 2.397 45 F HA -0.247 4.280 4.527 -0.000 0.000 0.438 45 F C 0.338 176.111 175.800 -0.045 0.000 0.555 45 F CA 0.835 58.795 58.000 -0.066 0.000 1.561 45 F CB -1.346 37.600 39.000 -0.090 0.000 2.188 45 F HN 0.634 nan 8.300 nan 0.000 0.267 46 R N 0.994 121.572 120.500 0.129 0.000 2.573 46 R HA 0.598 4.938 4.340 -0.000 0.000 0.272 46 R C 0.483 176.814 176.300 0.051 0.000 1.009 46 R CA -1.064 55.084 56.100 0.081 0.000 1.059 46 R CB 0.810 31.147 30.300 0.061 0.000 1.112 46 R HN 0.045 nan 8.270 nan 0.000 0.517 47 R N 2.306 122.835 120.500 0.049 0.000 2.583 47 R HA -0.005 4.335 4.340 -0.000 0.000 0.274 47 R C -1.828 174.498 176.300 0.043 0.000 0.998 47 R CA -0.640 55.489 56.100 0.049 0.000 1.081 47 R CB -0.163 30.170 30.300 0.055 0.000 0.940 47 R HN 0.404 nan 8.270 nan 0.000 0.413 48 P HA 0.102 nan 4.420 nan 0.000 0.274 48 P C -0.902 176.423 177.300 0.043 0.000 1.256 48 P CA -0.152 62.969 63.100 0.035 0.000 0.795 48 P CB 0.828 32.560 31.700 0.053 0.000 1.038 49 E N 0.394 120.608 120.200 0.024 0.000 2.266 49 E HA 0.422 4.772 4.350 -0.000 0.000 0.268 49 E C -2.433 174.188 176.600 0.035 0.000 0.879 49 E CA -2.782 53.639 56.400 0.035 0.000 0.762 49 E CB 1.351 31.066 29.700 0.025 0.000 1.199 49 E HN 0.292 nan 8.360 nan 0.000 0.422 50 P HA -0.037 nan 4.420 nan 0.000 0.266 50 P C -0.717 176.625 177.300 0.071 0.000 1.195 50 P CA -0.243 62.914 63.100 0.096 0.000 0.768 50 P CB 0.478 32.249 31.700 0.118 0.000 0.838 51 K N 3.754 124.200 120.400 0.076 0.000 2.484 51 K HA 0.003 4.323 4.320 -0.000 0.000 0.280 51 K C 0.153 176.835 176.600 0.136 0.000 1.013 51 K CA 0.410 56.743 56.287 0.076 0.000 1.029 51 K CB 0.006 32.560 32.500 0.090 0.000 0.902 51 K HN 0.176 nan 8.250 nan 0.000 0.481 52 K N 5.731 126.212 120.400 0.135 0.000 2.350 52 K HA 0.217 4.537 4.320 -0.000 0.000 0.279 52 K C -2.272 174.434 176.600 0.176 0.000 1.027 52 K CA -2.022 54.340 56.287 0.126 0.000 0.969 52 K CB 0.134 32.702 32.500 0.113 0.000 0.954 52 K HN 0.539 nan 8.250 nan 0.000 0.474 53 P HA -0.009 nan 4.420 nan 0.000 0.267 53 P C -0.740 176.617 177.300 0.096 0.000 1.200 53 P CA -0.021 63.053 63.100 -0.044 0.000 0.772 53 P CB 0.252 31.876 31.700 -0.128 0.000 0.855 54 W N 1.233 122.619 121.300 0.143 0.000 2.671 54 W HA 0.720 5.380 4.660 -0.000 0.000 0.360 54 W C -0.705 175.892 176.519 0.131 0.000 1.128 54 W CA -0.890 56.553 57.345 0.162 0.000 1.184 54 W CB 0.009 29.632 29.460 0.272 0.000 1.415 54 W HN 0.381 nan 8.180 nan 0.000 0.604 55 S N 0.880 116.806 115.700 0.376 0.000 2.621 55 S HA 0.890 5.360 4.470 -0.000 0.000 0.302 55 S C 0.265 175.081 174.600 0.359 0.000 1.093 55 S CA -0.112 58.226 58.200 0.230 0.000 1.017 55 S CB 1.022 64.309 63.200 0.145 0.000 1.077 55 S HN 2.197 nan 8.310 nan 0.000 0.517 56 G N -0.257 108.690 108.800 0.246 0.000 2.681 56 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 56 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 56 G C -0.951 174.157 174.900 0.347 0.000 1.353 56 G CA -0.418 44.824 45.100 0.236 0.000 0.872 56 G HN 1.647 nan 8.290 nan 0.000 0.557 57 V N 0.588 120.656 119.914 0.256 0.000 2.384 57 V HA 0.495 4.614 4.120 -0.000 0.000 0.287 57 V C 0.276 176.505 176.094 0.225 0.000 1.020 57 V CA -0.572 61.906 62.300 0.296 0.000 0.850 57 V CB 1.736 33.665 31.823 0.178 0.000 0.987 57 V HN 0.711 nan 8.190 nan 0.000 0.436 58 W N 5.360 126.766 121.300 0.175 0.000 2.304 58 W HA 0.219 4.878 4.660 -0.000 0.000 0.313 58 W C 0.275 176.795 176.519 0.002 0.000 1.323 58 W CA -0.383 56.905 57.345 -0.094 0.000 1.223 58 W CB 0.808 30.061 29.460 -0.345 0.000 1.237 58 W HN 0.624 nan 8.180 nan 0.000 0.535 59 N N 4.297 122.866 118.700 -0.219 0.000 2.452 59 N HA 0.200 4.940 4.740 -0.000 0.000 0.266 59 N C -0.538 175.072 175.510 0.166 0.000 1.175 59 N CA 0.349 53.364 53.050 -0.057 0.000 0.945 59 N CB 1.086 39.459 38.487 -0.190 0.000 1.063 59 N HN 0.390 nan 8.380 nan 0.000 0.472 60 A N 2.558 125.501 122.820 0.204 0.000 2.959 60 A HA 0.207 4.527 4.320 -0.000 0.000 0.280 60 A C 0.705 178.288 177.584 -0.002 0.000 0.953 60 A CA -0.429 51.731 52.037 0.206 0.000 1.047 60 A CB -0.452 18.742 19.000 0.324 0.000 1.147 60 A HN 0.608 nan 8.150 nan 0.000 0.489 61 S N -1.022 114.648 115.700 -0.050 0.000 2.539 61 S HA 0.241 4.711 4.470 -0.000 0.000 0.221 61 S C 0.551 175.061 174.600 -0.150 0.000 0.987 61 S CA 0.533 58.657 58.200 -0.127 0.000 0.929 61 S CB -0.209 62.928 63.200 -0.104 0.000 0.832 61 S HN 0.714 nan 8.310 nan 0.000 0.492 62 T N -0.602 113.881 114.554 -0.118 0.000 2.903 62 T HA 0.612 4.962 4.350 -0.000 0.000 0.299 62 T C -1.030 173.628 174.700 -0.070 0.000 1.093 62 T CA -0.718 61.309 62.100 -0.123 0.000 1.002 62 T CB 0.659 69.485 68.868 -0.070 0.000 1.127 62 T HN 0.058 nan 8.240 nan 0.000 0.488 63 Y N 2.897 123.168 120.300 -0.050 0.000 2.597 63 Y HA 0.330 4.880 4.550 -0.000 0.000 0.336 63 Y C -1.348 174.492 175.900 -0.100 0.000 1.216 63 Y CA -1.249 56.821 58.100 -0.051 0.000 1.463 63 Y CB 0.169 38.618 38.460 -0.020 0.000 1.303 63 Y HN 0.508 nan 8.280 nan 0.000 0.576 64 P HA 0.126 nan 4.420 nan 0.000 0.293 64 P C -0.666 176.546 177.300 -0.147 0.000 1.304 64 P CA -0.534 62.437 63.100 -0.215 0.000 0.767 64 P CB 0.934 32.350 31.700 -0.474 0.000 1.247 65 N N -0.110 118.465 118.700 -0.210 0.000 2.371 65 N HA 0.117 4.857 4.740 -0.000 0.000 0.243 65 N C -0.018 175.444 175.510 -0.081 0.000 1.287 65 N CA 0.201 53.179 53.050 -0.120 0.000 0.911 65 N CB -0.352 38.073 38.487 -0.104 0.000 1.142 65 N HN 0.391 nan 8.380 nan 0.000 0.451 66 N N -0.764 117.883 118.700 -0.089 0.000 2.456 66 N HA 0.310 5.050 4.740 -0.000 0.000 0.296 66 N C -0.406 175.044 175.510 -0.100 0.000 1.102 66 N CA -0.699 52.289 53.050 -0.102 0.000 0.924 66 N CB 1.151 39.556 38.487 -0.137 0.000 1.186 66 N HN 0.391 nan 8.380 nan 0.000 0.492 67 c N 1.206 119.747 118.600 -0.099 0.000 2.745 67 c HA 0.022 4.592 4.570 -0.000 0.000 0.387 67 c C 0.711 174.680 174.090 -0.203 0.000 1.312 67 c CA -0.449 55.796 56.329 -0.141 0.000 2.204 67 c CB -0.102 42.345 42.510 -0.105 0.000 2.686 67 c HN 0.538 nan 8.230 nan 0.000 0.705 68 Q N 2.107 121.685 119.800 -0.370 0.000 2.337 68 Q HA 0.308 4.648 4.340 -0.000 0.000 0.270 68 Q C -0.132 175.730 176.000 -0.230 0.000 1.002 68 Q CA 0.784 56.339 55.803 -0.413 0.000 0.888 68 Q CB 0.728 28.921 28.738 -0.909 0.000 1.222 68 Q HN 0.883 nan 8.270 nan 0.000 0.400 69 Q N 1.003 120.789 119.800 -0.024 0.000 2.647 69 Q HA 0.250 4.590 4.340 -0.000 0.000 0.283 69 Q C -1.347 174.807 176.000 0.257 0.000 0.943 69 Q CA -0.967 54.936 55.803 0.166 0.000 0.813 69 Q CB 0.549 29.359 28.738 0.119 0.000 1.477 69 Q HN 0.473 nan 8.270 nan 0.000 0.393 70 Y N 1.192 121.686 120.300 0.323 0.000 2.712 70 Y HA 0.293 4.843 4.550 -0.000 0.000 0.333 70 Y C -0.927 175.152 175.900 0.299 0.000 1.225 70 Y CA 0.521 58.843 58.100 0.370 0.000 1.499 70 Y CB 0.813 39.624 38.460 0.586 0.000 1.288 70 Y HN 0.451 nan 8.280 nan 0.000 0.575 71 V N 6.875 126.578 119.914 -0.352 0.000 2.384 71 V HA 0.115 4.235 4.120 -0.000 0.000 0.287 71 V C -0.555 175.372 176.094 -0.279 0.000 1.020 71 V CA -1.037 61.157 62.300 -0.176 0.000 0.850 71 V CB 1.452 33.207 31.823 -0.113 0.000 0.987 71 V HN 0.770 nan 8.190 nan 0.000 0.436 72 D N 3.837 124.272 120.400 0.057 0.000 2.401 72 D HA 0.111 4.751 4.640 -0.000 0.000 0.254 72 D C 0.570 176.953 176.300 0.138 0.000 1.192 72 D CA 0.431 54.556 54.000 0.207 0.000 0.885 72 D CB 0.841 41.865 40.800 0.374 0.000 1.147 72 D HN 0.683 nan 8.370 nan 0.000 0.478 73 E N 2.408 122.666 120.200 0.096 0.000 2.758 73 E HA -0.017 4.333 4.350 -0.000 0.000 0.215 73 E C 0.911 177.511 176.600 -0.000 0.000 0.985 73 E CA -0.308 56.123 56.400 0.053 0.000 1.102 73 E CB 0.644 30.343 29.700 -0.002 0.000 1.042 73 E HN 0.399 nan 8.360 nan 0.000 0.480 74 Q N -0.236 119.537 119.800 -0.045 0.000 2.096 74 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 74 Q C -0.090 175.533 176.000 -0.628 0.000 0.982 74 Q CA 1.297 56.839 55.803 -0.434 0.000 0.850 74 Q CB 0.166 28.458 28.738 -0.744 0.000 0.901 74 Q HN 0.197 nan 8.270 nan 0.000 0.422 75 F N 0.874 120.914 119.950 0.150 0.000 2.564 75 F HA 0.355 4.882 4.527 -0.000 0.000 0.361 75 F C -2.086 173.812 175.800 0.163 0.000 1.161 75 F CA -2.951 55.128 58.000 0.132 0.000 1.198 75 F CB 1.065 40.170 39.000 0.177 0.000 1.424 75 F HN -0.128 nan 8.300 nan 0.000 0.517 76 P HA 0.147 nan 4.420 nan 0.000 0.258 76 P C 1.033 178.426 177.300 0.154 0.000 1.187 76 P CA 1.062 64.249 63.100 0.144 0.000 0.767 76 P CB 0.591 32.338 31.700 0.079 0.000 0.770 77 G N 2.782 111.659 108.800 0.128 0.000 2.234 77 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 77 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 77 G C 0.030 174.997 174.900 0.111 0.000 0.987 77 G CA -0.365 44.788 45.100 0.088 0.000 0.625 77 G HN 0.540 nan 8.290 nan 0.000 0.532 78 F N 3.249 123.202 119.950 0.006 0.000 2.504 78 F HA 0.483 5.009 4.527 -0.000 0.000 0.369 78 F C 1.691 177.425 175.800 -0.111 0.000 1.082 78 F CA -0.148 57.800 58.000 -0.087 0.000 1.216 78 F CB 1.111 40.044 39.000 -0.112 0.000 1.108 78 F HN 0.275 nan 8.300 nan 0.000 0.554 79 S N 3.082 118.288 115.700 -0.823 0.000 2.447 79 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 79 S C 2.044 176.157 174.600 -0.813 0.000 1.006 79 S CA 0.737 58.529 58.200 -0.681 0.000 0.957 79 S CB -0.905 61.987 63.200 -0.514 0.000 0.773 79 S HN 0.811 nan 8.310 nan 0.000 0.507 80 G N 1.582 109.418 108.800 -1.605 0.000 2.421 80 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.217 80 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.217 80 G C 1.682 176.723 174.900 0.234 0.000 1.143 80 G CA 0.919 45.465 45.100 -0.922 0.000 0.784 80 G HN 0.729 nan 8.290 nan 0.000 0.541 81 S N 0.421 116.283 115.700 0.270 0.000 2.412 81 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 81 S C 1.901 176.749 174.600 0.412 0.000 1.048 81 S CA 0.986 59.668 58.200 0.804 0.000 0.954 81 S CB -0.151 63.623 63.200 0.958 0.000 0.840 81 S HN 0.200 nan 8.310 nan 0.000 0.503 82 E N 2.348 122.632 120.200 0.141 0.000 2.219 82 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 82 E C 2.077 178.606 176.600 -0.117 0.000 0.998 82 E CA 1.491 57.903 56.400 0.021 0.000 0.818 82 E CB -0.643 29.030 29.700 -0.044 0.000 0.741 82 E HN 0.838 nan 8.360 nan 0.000 0.477 83 M N -2.360 117.064 119.600 -0.294 0.000 2.549 83 M HA -0.052 4.428 4.480 -0.000 0.000 0.260 83 M C 0.909 176.820 176.300 -0.649 0.000 1.076 83 M CA 1.192 56.162 55.300 -0.549 0.000 1.090 83 M CB -0.347 31.788 32.600 -0.776 0.000 1.418 83 M HN 0.046 nan 8.290 nan 0.000 0.486 84 W N 0.975 122.235 121.300 -0.066 0.000 3.107 84 W HA 0.286 4.946 4.660 -0.000 0.000 0.293 84 W C 0.356 176.807 176.519 -0.112 0.000 1.239 84 W CA -0.878 56.403 57.345 -0.106 0.000 1.653 84 W CB -0.023 29.413 29.460 -0.039 0.000 1.068 84 W HN 0.102 nan 8.180 nan 0.000 0.615 85 N N 1.455 120.196 118.700 0.069 0.000 2.513 85 N HA 0.179 4.919 4.740 -0.000 0.000 0.274 85 N C -2.482 172.986 175.510 -0.070 0.000 1.189 85 N CA -1.547 51.517 53.050 0.022 0.000 0.975 85 N CB 0.024 38.532 38.487 0.035 0.000 1.157 85 N HN -0.388 nan 8.380 nan 0.000 0.465 86 P HA -0.020 nan 4.420 nan 0.000 0.261 86 P C 0.229 177.461 177.300 -0.113 0.000 1.173 86 P CA 0.244 63.275 63.100 -0.115 0.000 0.760 86 P CB 0.266 31.911 31.700 -0.090 0.000 0.783 87 N N 2.342 120.957 118.700 -0.141 0.000 2.204 87 N HA 0.076 4.816 4.740 -0.000 0.000 0.219 87 N C 0.179 175.634 175.510 -0.093 0.000 1.151 87 N CA 0.028 53.006 53.050 -0.120 0.000 0.867 87 N CB 0.411 38.810 38.487 -0.147 0.000 1.043 87 N HN 0.176 nan 8.380 nan 0.000 0.516 88 R N 0.137 120.579 120.500 -0.096 0.000 2.905 88 R HA 0.343 4.683 4.340 -0.000 0.000 0.260 88 R C -0.558 175.698 176.300 -0.072 0.000 1.086 88 R CA -0.689 55.366 56.100 -0.075 0.000 0.978 88 R CB 0.976 31.227 30.300 -0.082 0.000 1.215 88 R HN 0.175 nan 8.270 nan 0.000 0.480 89 E N 1.141 121.302 120.200 -0.064 0.000 2.392 89 E HA 0.104 4.454 4.350 -0.000 0.000 0.264 89 E C -0.218 176.339 176.600 -0.072 0.000 1.024 89 E CA 0.065 56.428 56.400 -0.061 0.000 0.903 89 E CB 0.697 30.365 29.700 -0.054 0.000 0.963 89 E HN 0.211 nan 8.360 nan 0.000 0.432 90 M N 2.022 121.579 119.600 -0.071 0.000 2.274 90 M HA 0.244 4.724 4.480 -0.000 0.000 0.344 90 M C -0.132 176.114 176.300 -0.089 0.000 1.161 90 M CA 0.118 55.365 55.300 -0.088 0.000 1.126 90 M CB 1.568 34.113 32.600 -0.092 0.000 1.522 90 M HN 0.333 nan 8.290 nan 0.000 0.461 91 S N 0.301 115.936 115.700 -0.109 0.000 2.558 91 S HA 0.203 4.673 4.470 -0.000 0.000 0.277 91 S C -0.071 174.452 174.600 -0.128 0.000 1.143 91 S CA -0.676 57.467 58.200 -0.096 0.000 0.865 91 S CB 1.481 64.648 63.200 -0.055 0.000 1.102 91 S HN 0.837 nan 8.310 nan 0.000 0.454 92 E N 0.893 121.017 120.200 -0.127 0.000 2.347 92 E HA -0.054 4.296 4.350 -0.000 0.000 0.196 92 E C -0.386 176.177 176.600 -0.061 0.000 1.008 92 E CA 0.484 56.799 56.400 -0.141 0.000 0.852 92 E CB 0.125 29.770 29.700 -0.092 0.000 0.783 92 E HN 0.526 nan 8.360 nan 0.000 0.505 93 D N 0.022 120.416 120.400 -0.010 0.000 2.483 93 D HA 0.003 4.643 4.640 -0.000 0.000 0.220 93 D C 0.146 176.553 176.300 0.178 0.000 1.173 93 D CA -0.282 53.758 54.000 0.066 0.000 0.964 93 D CB -0.030 40.825 40.800 0.092 0.000 1.046 93 D HN 0.112 nan 8.370 nan 0.000 0.517 94 c N 2.155 120.840 118.600 0.141 0.000 3.785 94 c HA 0.367 4.937 4.570 -0.000 0.000 0.312 94 c C 0.837 175.089 174.090 0.271 0.000 1.566 94 c CA -0.669 55.800 56.329 0.233 0.000 1.837 94 c CB -1.269 41.279 42.510 0.064 0.000 2.826 94 c HN 0.433 nan 8.230 nan 0.000 0.667 95 L N 2.579 123.729 121.223 -0.122 0.000 2.382 95 L HA 0.309 4.649 4.340 -0.000 0.000 0.259 95 L C -0.826 175.478 176.870 -0.943 0.000 1.291 95 L CA 0.682 55.194 54.840 -0.547 0.000 1.176 95 L CB -0.936 40.577 42.059 -0.910 0.000 1.373 95 L HN 0.388 nan 8.230 nan 0.000 0.426 96 Y N 1.575 121.853 120.300 -0.036 0.000 2.570 96 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 96 Y C -0.041 176.022 175.900 0.271 0.000 1.014 96 Y CA -1.388 56.746 58.100 0.057 0.000 1.063 96 Y CB 1.833 40.278 38.460 -0.026 0.000 1.272 96 Y HN 0.158 nan 8.280 nan 0.000 0.477 97 L N -0.108 121.264 121.223 0.249 0.000 2.333 97 L HA 0.768 5.108 4.340 -0.000 0.000 0.263 97 L C -1.264 175.630 176.870 0.039 0.000 1.014 97 L CA -1.211 53.688 54.840 0.099 0.000 0.820 97 L CB 1.821 43.805 42.059 -0.124 0.000 1.352 97 L HN 0.475 nan 8.230 nan 0.000 0.421 98 N N 1.672 120.411 118.700 0.064 0.000 2.269 98 N HA 0.720 5.460 4.740 -0.000 0.000 0.304 98 N C -1.306 174.144 175.510 -0.100 0.000 1.072 98 N CA -0.229 52.777 53.050 -0.073 0.000 0.802 98 N CB 2.728 41.157 38.487 -0.097 0.000 1.348 98 N HN 0.656 nan 8.380 nan 0.000 0.484 99 I N 0.342 120.778 120.570 -0.224 0.000 2.533 99 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 99 I C -0.792 175.292 176.117 -0.056 0.000 1.056 99 I CA -0.717 60.550 61.300 -0.055 0.000 1.057 99 I CB 2.350 40.240 38.000 -0.184 0.000 1.240 99 I HN 0.244 nan 8.210 nan 0.000 0.423 100 W N 5.794 127.233 121.300 0.232 0.000 2.411 100 W HA 0.564 5.224 4.660 -0.000 0.000 0.317 100 W C -1.091 175.577 176.519 0.247 0.000 1.030 100 W CA -0.618 56.869 57.345 0.237 0.000 1.239 100 W CB 2.133 31.698 29.460 0.175 0.000 1.304 100 W HN 0.089 nan 8.180 nan 0.000 0.437 101 V N 5.249 125.452 119.914 0.481 0.000 2.448 101 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 101 V C -2.057 174.243 176.094 0.345 0.000 1.025 101 V CA -2.430 60.108 62.300 0.397 0.000 0.859 101 V CB 1.981 34.077 31.823 0.456 0.000 0.988 101 V HN 0.241 nan 8.190 nan 0.000 0.431 102 P HA 0.097 nan 4.420 nan 0.000 0.268 102 P C -0.511 176.921 177.300 0.221 0.000 1.205 102 P CA 0.320 63.560 63.100 0.234 0.000 0.771 102 P CB 0.582 32.375 31.700 0.155 0.000 0.858 103 S N 3.296 119.131 115.700 0.224 0.000 2.437 103 S HA 0.545 5.015 4.470 -0.000 0.000 0.305 103 S C -2.232 172.462 174.600 0.157 0.000 1.109 103 S CA -1.625 56.688 58.200 0.189 0.000 1.099 103 S CB -0.042 63.271 63.200 0.187 0.000 1.004 103 S HN 0.245 nan 8.310 nan 0.000 0.475 104 P HA 0.227 nan 4.420 nan 0.000 0.274 104 P C -0.638 176.733 177.300 0.119 0.000 1.237 104 P CA -0.675 62.493 63.100 0.113 0.000 0.793 104 P CB 0.456 32.206 31.700 0.084 0.000 0.977 105 R N 2.217 122.792 120.500 0.124 0.000 2.473 105 R HA 0.097 4.437 4.340 -0.000 0.000 0.315 105 R C -1.836 174.518 176.300 0.090 0.000 0.972 105 R CA -0.865 55.310 56.100 0.125 0.000 1.047 105 R CB -0.685 29.687 30.300 0.119 0.000 0.932 105 R HN 0.369 nan 8.270 nan 0.000 0.411 106 P HA -0.003 nan 4.420 nan 0.000 0.270 106 P C 0.120 177.448 177.300 0.045 0.000 1.223 106 P CA -0.351 62.786 63.100 0.061 0.000 0.785 106 P CB 0.734 32.472 31.700 0.064 0.000 0.923 107 K N 0.222 120.639 120.400 0.028 0.000 1.967 107 K HA -0.001 4.319 4.320 -0.000 0.000 0.212 107 K C 0.664 177.267 176.600 0.005 0.000 1.044 107 K CA 1.533 57.828 56.287 0.015 0.000 0.942 107 K CB -0.568 31.936 32.500 0.007 0.000 0.726 107 K HN 0.306 nan 8.250 nan 0.000 0.440 108 S N 0.875 116.575 115.700 0.001 0.000 2.564 108 S HA 0.123 4.593 4.470 -0.000 0.000 0.141 108 S C -0.666 173.930 174.600 -0.006 0.000 1.474 108 S CA -0.303 57.889 58.200 -0.012 0.000 1.236 108 S CB 0.545 63.726 63.200 -0.031 0.000 1.481 108 S HN 0.199 nan 8.310 nan 0.000 0.397 109 T N 1.823 116.384 114.554 0.011 0.000 2.824 109 T HA 0.438 4.788 4.350 -0.000 0.000 0.277 109 T C 0.354 175.060 174.700 0.010 0.000 0.975 109 T CA 0.083 62.191 62.100 0.013 0.000 0.966 109 T CB 0.697 69.584 68.868 0.031 0.000 1.054 109 T HN 0.440 nan 8.240 nan 0.000 0.533 110 T N 2.176 116.732 114.554 0.003 0.000 2.916 110 T HA 0.355 4.705 4.350 -0.000 0.000 0.303 110 T C -0.326 174.388 174.700 0.024 0.000 1.025 110 T CA -0.355 61.742 62.100 -0.004 0.000 1.142 110 T CB 0.420 69.271 68.868 -0.028 0.000 0.947 110 T HN 0.373 nan 8.240 nan 0.000 0.544 111 V N 4.906 124.840 119.914 0.033 0.000 2.513 111 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 111 V C -0.040 176.106 176.094 0.086 0.000 1.035 111 V CA -0.763 61.582 62.300 0.074 0.000 0.889 111 V CB 1.652 33.523 31.823 0.080 0.000 0.988 111 V HN 0.839 nan 8.190 nan 0.000 0.440 112 M N 4.263 123.946 119.600 0.139 0.000 2.263 112 M HA 0.525 5.005 4.480 -0.000 0.000 0.295 112 M C -1.305 175.255 176.300 0.433 0.000 1.028 112 M CA -0.608 54.797 55.300 0.176 0.000 0.921 112 M CB 2.287 34.852 32.600 -0.059 0.000 1.601 112 M HN 0.348 nan 8.290 nan 0.000 0.440 113 V N 3.044 123.250 119.914 0.486 0.000 2.347 113 V HA 0.296 4.416 4.120 -0.000 0.000 0.280 113 V C -0.710 175.678 176.094 0.490 0.000 1.021 113 V CA -0.553 62.002 62.300 0.424 0.000 0.847 113 V CB 1.274 33.216 31.823 0.198 0.000 0.990 113 V HN 0.854 nan 8.190 nan 0.000 0.444 114 W N 6.990 128.378 121.300 0.148 0.000 2.322 114 W HA 0.554 5.214 4.660 -0.000 0.000 0.307 114 W C -1.099 175.293 176.519 -0.211 0.000 1.220 114 W CA -0.719 56.435 57.345 -0.319 0.000 1.210 114 W CB 1.067 30.416 29.460 -0.184 0.000 1.223 114 W HN 0.452 nan 8.180 nan 0.000 0.511 115 I N 9.628 129.495 120.570 -1.171 0.000 2.371 115 I HA 0.038 4.208 4.170 -0.000 0.000 0.282 115 I C -0.130 175.201 176.117 -1.310 0.000 1.031 115 I CA -1.091 59.628 61.300 -0.967 0.000 1.180 115 I CB 0.316 37.926 38.000 -0.650 0.000 1.336 115 I HN 0.296 nan 8.210 nan 0.000 0.467 116 Y N 4.546 124.342 120.300 -0.839 0.000 2.652 116 Y HA 0.527 5.077 4.550 -0.000 0.000 0.344 116 Y C 0.808 176.575 175.900 -0.222 0.000 1.254 116 Y CA -0.658 57.147 58.100 -0.492 0.000 1.480 116 Y CB -0.122 38.318 38.460 -0.034 0.000 1.345 116 Y HN 0.507 nan 8.280 nan 0.000 0.617 117 G N -0.592 108.290 108.800 0.136 0.000 2.606 117 G HA2 0.500 4.460 3.960 -0.000 0.000 0.262 117 G HA3 0.500 4.460 3.960 -0.000 0.000 0.262 117 G C 0.307 175.209 174.900 0.004 0.000 1.394 117 G CA -0.930 44.167 45.100 -0.005 0.000 1.044 117 G HN 1.741 nan 8.290 nan 0.000 0.553 118 G N -2.813 105.828 108.800 -0.264 0.000 2.223 118 G HA2 0.406 4.365 3.960 -0.000 0.000 0.200 118 G HA3 0.406 4.365 3.960 -0.000 0.000 0.200 118 G C 1.045 175.484 174.900 -0.768 0.000 1.061 118 G CA 0.702 45.529 45.100 -0.456 0.000 0.790 118 G HN 2.309 nan 8.290 nan 0.000 0.498 119 G N -0.495 107.846 108.800 -0.765 0.000 2.233 119 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.270 119 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.270 119 G C 0.928 175.590 174.900 -0.396 0.000 1.011 119 G CA 0.839 45.362 45.100 -0.961 0.000 0.762 119 G HN 1.769 nan 8.290 nan 0.000 0.511 120 F N -3.471 116.395 119.950 -0.139 0.000 2.871 120 F HA -0.309 4.218 4.527 -0.000 0.000 0.326 120 F C 1.440 177.357 175.800 0.195 0.000 0.675 120 F CA 2.163 60.197 58.000 0.056 0.000 1.188 120 F CB -2.058 36.816 39.000 -0.210 0.000 1.567 120 F HN 0.941 nan 8.300 nan 0.000 0.325 121 Y N -1.043 119.346 120.300 0.148 0.000 2.500 121 Y HA 0.673 5.223 4.550 -0.000 0.000 0.246 121 Y C 0.533 176.535 175.900 0.169 0.000 1.146 121 Y CA 0.192 58.397 58.100 0.175 0.000 1.230 121 Y CB -0.006 38.486 38.460 0.054 0.000 1.214 121 Y HN 0.080 nan 8.280 nan 0.000 0.526 122 S N -0.944 114.601 115.700 -0.258 0.000 2.727 122 S HA 0.865 5.334 4.470 -0.000 0.000 0.278 122 S C -0.213 174.264 174.600 -0.206 0.000 1.186 122 S CA -0.577 57.507 58.200 -0.195 0.000 0.836 122 S CB 1.367 64.391 63.200 -0.293 0.000 1.186 122 S HN 1.328 nan 8.310 nan 0.000 0.499 123 G N -0.312 108.336 108.800 -0.254 0.000 2.528 123 G HA2 0.413 4.373 3.960 -0.000 0.000 0.681 123 G HA3 0.413 4.373 3.960 -0.000 0.000 0.681 123 G C -0.991 173.330 174.900 -0.964 0.000 1.340 123 G CA -0.357 44.457 45.100 -0.477 0.000 0.855 123 G HN 1.350 nan 8.290 nan 0.000 0.649 124 S N -0.753 114.350 115.700 -0.995 0.000 2.564 124 S HA 0.724 5.194 4.470 -0.000 0.000 0.274 124 S C 1.061 175.397 174.600 -0.440 0.000 1.124 124 S CA 0.117 57.862 58.200 -0.759 0.000 0.869 124 S CB 1.815 64.801 63.200 -0.356 0.000 1.105 124 S HN 2.012 nan 8.310 nan 0.000 0.472 125 S N 0.063 115.715 115.700 -0.080 0.000 2.527 125 S HA -0.064 4.406 4.470 -0.000 0.000 0.222 125 S C 1.348 176.020 174.600 0.120 0.000 0.985 125 S CA 1.014 59.406 58.200 0.319 0.000 0.921 125 S CB -0.608 62.826 63.200 0.391 0.000 0.772 125 S HN 0.846 nan 8.310 nan 0.000 0.529 126 T N 0.265 114.680 114.554 -0.232 0.000 3.122 126 T HA 0.414 4.764 4.350 -0.000 0.000 0.250 126 T C 0.515 174.877 174.700 -0.562 0.000 1.067 126 T CA -0.573 61.075 62.100 -0.754 0.000 0.966 126 T CB -0.614 67.682 68.868 -0.954 0.000 1.002 126 T HN 0.325 nan 8.240 nan 0.000 0.542 127 L N 1.914 122.902 121.223 -0.391 0.000 2.506 127 L HA 0.125 4.465 4.340 -0.000 0.000 0.281 127 L C 1.352 177.953 176.870 -0.448 0.000 1.228 127 L CA -0.425 54.111 54.840 -0.507 0.000 0.850 127 L CB 0.302 41.840 42.059 -0.869 0.000 1.110 127 L HN 0.086 nan 8.230 nan 0.000 0.496 128 D N 1.067 121.239 120.400 -0.381 0.000 2.182 128 D HA -0.137 4.502 4.640 -0.000 0.000 0.201 128 D C 1.972 178.068 176.300 -0.340 0.000 0.986 128 D CA 1.262 55.105 54.000 -0.262 0.000 0.847 128 D CB -0.034 40.634 40.800 -0.220 0.000 0.942 128 D HN 0.525 nan 8.370 nan 0.000 0.467 129 V N -1.286 118.286 119.914 -0.571 0.000 2.913 129 V HA -0.154 3.966 4.120 -0.000 0.000 0.260 129 V C 1.119 176.760 176.094 -0.754 0.000 1.098 129 V CA 1.034 62.969 62.300 -0.609 0.000 1.121 129 V CB -1.064 30.325 31.823 -0.724 0.000 0.714 129 V HN 0.077 nan 8.190 nan 0.000 0.487 130 Y N 0.094 119.916 120.300 -0.796 0.000 2.607 130 Y HA 0.441 4.991 4.550 -0.000 0.000 0.266 130 Y C 1.020 176.498 175.900 -0.704 0.000 1.178 130 Y CA -1.907 55.418 58.100 -1.291 0.000 1.226 130 Y CB -1.073 36.960 38.460 -0.711 0.000 1.144 130 Y HN 0.250 nan 8.280 nan 0.000 0.528 131 N N 1.570 120.095 118.700 -0.292 0.000 2.434 131 N HA -0.022 4.718 4.740 -0.000 0.000 0.268 131 N C 1.274 176.472 175.510 -0.521 0.000 1.256 131 N CA 0.657 53.569 53.050 -0.229 0.000 0.914 131 N CB 1.175 39.591 38.487 -0.119 0.000 1.088 131 N HN 0.487 nan 8.380 nan 0.000 0.478 132 G N 3.304 111.196 108.800 -1.513 0.000 2.985 132 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.209 132 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.209 132 G C 1.384 175.571 174.900 -1.190 0.000 1.165 132 G CA 0.144 44.415 45.100 -1.383 0.000 0.776 132 G HN 0.754 nan 8.290 nan 0.000 0.541 133 K N -0.291 119.387 120.400 -1.202 0.000 2.148 133 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 133 K C 1.622 178.018 176.600 -0.340 0.000 1.050 133 K CA 0.889 56.807 56.287 -0.614 0.000 0.942 133 K CB -0.482 31.740 32.500 -0.463 0.000 0.724 133 K HN 0.415 nan 8.250 nan 0.000 0.446 134 Y N 0.805 121.046 120.300 -0.097 0.000 2.314 134 Y HA -0.099 4.451 4.550 -0.000 0.000 0.293 134 Y C 2.332 178.239 175.900 0.012 0.000 1.129 134 Y CA 0.201 58.298 58.100 -0.006 0.000 1.201 134 Y CB -0.126 38.301 38.460 -0.055 0.000 0.999 134 Y HN 0.021 nan 8.280 nan 0.000 0.541 135 L N 0.319 121.560 121.223 0.030 0.000 2.068 135 L HA 0.024 4.364 4.340 -0.000 0.000 0.204 135 L C 2.442 179.319 176.870 0.011 0.000 1.076 135 L CA 1.783 56.600 54.840 -0.039 0.000 0.753 135 L CB -1.124 40.817 42.059 -0.196 0.000 0.910 135 L HN 0.110 nan 8.230 nan 0.000 0.439 136 A N -1.179 121.659 122.820 0.030 0.000 1.892 136 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 136 A C 2.319 179.984 177.584 0.134 0.000 1.188 136 A CA 2.191 54.299 52.037 0.118 0.000 0.631 136 A CB -1.263 17.872 19.000 0.226 0.000 0.822 136 A HN 0.651 nan 8.150 nan 0.000 0.447 137 Y N 0.764 121.092 120.300 0.046 0.000 2.092 137 Y HA -0.177 4.373 4.550 -0.000 0.000 0.282 137 Y C 2.755 178.688 175.900 0.055 0.000 1.126 137 Y CA 2.532 60.668 58.100 0.061 0.000 1.111 137 Y CB -0.655 37.836 38.460 0.050 0.000 0.987 137 Y HN 0.285 nan 8.280 nan 0.000 0.489 138 T N 0.467 114.992 114.554 -0.048 0.000 2.759 138 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 138 T C 1.202 175.843 174.700 -0.099 0.000 1.042 138 T CA 1.722 63.749 62.100 -0.121 0.000 1.140 138 T CB -0.142 68.753 68.868 0.045 0.000 0.864 138 T HN 0.356 nan 8.240 nan 0.000 0.455 139 E N 0.183 120.358 120.200 -0.043 0.000 2.501 139 E HA 0.148 4.498 4.350 -0.000 0.000 0.201 139 E C 0.453 177.043 176.600 -0.017 0.000 1.016 139 E CA 0.021 56.416 56.400 -0.008 0.000 0.920 139 E CB 0.322 30.020 29.700 -0.003 0.000 1.023 139 E HN 0.481 nan 8.360 nan 0.000 0.474 140 E N 0.173 120.349 120.200 -0.039 0.000 2.513 140 E HA -0.174 4.176 4.350 -0.000 0.000 0.257 140 E C -0.623 175.993 176.600 0.027 0.000 1.098 140 E CA 0.561 56.955 56.400 -0.010 0.000 0.752 140 E CB -1.678 28.014 29.700 -0.014 0.000 1.324 140 E HN 0.138 nan 8.360 nan 0.000 0.403 141 V N -2.904 117.037 119.914 0.044 0.000 2.881 141 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 141 V C 0.528 176.693 176.094 0.118 0.000 1.070 141 V CA -0.798 61.538 62.300 0.060 0.000 0.976 141 V CB 2.217 34.061 31.823 0.034 0.000 1.038 141 V HN -0.004 nan 8.190 nan 0.000 0.446 142 V N 4.021 124.012 119.914 0.129 0.000 2.389 142 V HA 0.342 4.462 4.120 -0.000 0.000 0.264 142 V C -0.036 176.185 176.094 0.211 0.000 1.049 142 V CA -0.027 62.381 62.300 0.180 0.000 0.932 142 V CB 0.828 32.737 31.823 0.144 0.000 1.011 142 V HN 0.767 nan 8.190 nan 0.000 0.475 143 L N 7.287 128.694 121.223 0.307 0.000 2.272 143 L HA 0.624 4.964 4.340 -0.000 0.000 0.289 143 L C -0.420 176.755 176.870 0.510 0.000 1.032 143 L CA 0.216 55.287 54.840 0.384 0.000 0.810 143 L CB 1.554 43.823 42.059 0.351 0.000 1.205 143 L HN 0.423 nan 8.230 nan 0.000 0.422 144 V N 3.556 123.739 119.914 0.448 0.000 2.495 144 V HA 0.607 4.727 4.120 -0.000 0.000 0.298 144 V C -0.345 176.030 176.094 0.468 0.000 1.031 144 V CA -0.539 61.997 62.300 0.393 0.000 0.871 144 V CB 1.875 33.834 31.823 0.227 0.000 0.988 144 V HN 0.854 nan 8.190 nan 0.000 0.432 145 S N 5.184 121.177 115.700 0.488 0.000 2.498 145 S HA 0.813 5.283 4.470 -0.000 0.000 0.317 145 S C -0.624 174.145 174.600 0.282 0.000 1.090 145 S CA -0.798 57.690 58.200 0.480 0.000 1.089 145 S CB 1.453 65.059 63.200 0.677 0.000 0.997 145 S HN 0.627 nan 8.310 nan 0.000 0.470 146 L N 1.097 122.410 121.223 0.150 0.000 2.657 146 L HA 0.967 5.307 4.340 -0.000 0.000 0.240 146 L C 0.166 177.148 176.870 0.186 0.000 1.151 146 L CA -0.637 54.227 54.840 0.040 0.000 0.831 146 L CB -0.134 41.819 42.059 -0.177 0.000 1.539 146 L HN 0.810 nan 8.230 nan 0.000 0.511 147 S N -2.062 113.785 115.700 0.246 0.000 2.651 147 S HA 0.877 5.347 4.470 -0.000 0.000 0.279 147 S C -1.355 173.471 174.600 0.378 0.000 1.148 147 S CA -0.591 57.822 58.200 0.355 0.000 0.837 147 S CB 1.475 64.949 63.200 0.457 0.000 1.138 147 S HN 1.086 nan 8.310 nan 0.000 0.478 148 Y N -1.926 118.487 120.300 0.187 0.000 2.604 148 Y HA 0.681 5.231 4.550 -0.000 0.000 0.331 148 Y C -0.854 175.171 175.900 0.208 0.000 1.158 148 Y CA -1.414 56.784 58.100 0.164 0.000 1.056 148 Y CB 0.680 39.178 38.460 0.063 0.000 1.330 148 Y HN 0.719 nan 8.280 nan 0.000 0.457 149 R N 1.910 122.522 120.500 0.187 0.000 2.537 149 R HA 0.514 4.854 4.340 -0.000 0.000 0.280 149 R C -0.082 176.357 176.300 0.232 0.000 1.058 149 R CA -0.102 56.068 56.100 0.115 0.000 1.057 149 R CB 0.824 31.169 30.300 0.076 0.000 0.973 149 R HN 0.695 nan 8.270 nan 0.000 0.438 150 V N -0.026 120.042 119.914 0.256 0.000 3.204 150 V HA 0.865 4.985 4.120 -0.000 0.000 0.316 150 V C 0.787 177.201 176.094 0.533 0.000 1.160 150 V CA -0.235 62.349 62.300 0.474 0.000 1.044 150 V CB 1.041 33.046 31.823 0.303 0.000 1.136 150 V HN 0.968 nan 8.190 nan 0.000 0.455 151 G N 0.036 109.210 108.800 0.623 0.000 2.622 151 G HA2 0.016 3.976 3.960 -0.000 0.000 0.272 151 G HA3 0.016 3.976 3.960 -0.000 0.000 0.272 151 G C 1.069 176.275 174.900 0.511 0.000 1.308 151 G CA 1.109 46.566 45.100 0.596 0.000 0.919 151 G HN 2.262 nan 8.290 nan 0.000 0.565 152 A N -1.269 121.652 122.820 0.169 0.000 1.940 152 A HA -0.018 4.302 4.320 -0.000 0.000 0.221 152 A C 2.250 179.811 177.584 -0.040 0.000 1.190 152 A CA 2.793 54.543 52.037 -0.478 0.000 0.647 152 A CB -0.619 17.922 19.000 -0.764 0.000 0.821 152 A HN 1.060 nan 8.150 nan 0.000 0.457 153 F N -0.340 119.655 119.950 0.075 0.000 2.250 153 F HA -0.046 4.481 4.527 -0.000 0.000 0.301 153 F C 2.371 178.168 175.800 -0.004 0.000 1.077 153 F CA 1.082 59.079 58.000 -0.005 0.000 1.348 153 F CB -0.304 38.659 39.000 -0.061 0.000 1.040 153 F HN 0.331 nan 8.300 nan 0.000 0.509 154 G N -2.493 106.402 108.800 0.158 0.000 2.833 154 G HA2 0.093 4.053 3.960 -0.000 0.000 0.214 154 G HA3 0.093 4.053 3.960 -0.000 0.000 0.214 154 G C 0.688 175.165 174.900 -0.705 0.000 1.075 154 G CA 0.032 44.971 45.100 -0.267 0.000 0.799 154 G HN 0.311 nan 8.290 nan 0.000 0.541 155 F N -0.078 119.981 119.950 0.181 0.000 2.825 155 F HA 0.437 4.964 4.527 -0.000 0.000 0.322 155 F C 0.313 176.179 175.800 0.109 0.000 1.127 155 F CA -0.979 57.103 58.000 0.135 0.000 1.164 155 F CB 0.578 39.672 39.000 0.156 0.000 1.101 155 F HN -0.074 nan 8.300 nan 0.000 0.529 156 L N 2.359 123.589 121.223 0.012 0.000 2.584 156 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 156 L C 0.159 176.996 176.870 -0.056 0.000 1.195 156 L CA 0.148 54.868 54.840 -0.201 0.000 0.920 156 L CB 0.067 41.721 42.059 -0.675 0.000 1.173 156 L HN 0.156 nan 8.230 nan 0.000 0.489 157 A N 6.952 129.802 122.820 0.050 0.000 2.311 157 A HA 0.630 4.950 4.320 -0.000 0.000 0.306 157 A C -0.658 176.945 177.584 0.030 0.000 1.189 157 A CA -0.520 51.547 52.037 0.049 0.000 0.791 157 A CB 0.580 19.641 19.000 0.102 0.000 1.172 157 A HN 0.740 nan 8.150 nan 0.000 0.481 158 L N 3.556 124.785 121.223 0.010 0.000 2.599 158 L HA 0.210 4.550 4.340 -0.000 0.000 0.241 158 L C -0.041 176.866 176.870 0.060 0.000 1.207 158 L CA -0.778 54.070 54.840 0.013 0.000 0.987 158 L CB 0.120 42.149 42.059 -0.050 0.000 1.318 158 L HN 0.872 nan 8.230 nan 0.000 0.458 159 H N 1.632 120.702 119.070 0.000 0.000 3.192 159 H HA 0.173 4.729 4.556 -0.000 0.000 0.295 159 H C 1.110 176.442 175.328 0.007 0.000 0.943 159 H CA 1.562 57.616 56.048 0.011 0.000 1.416 159 H CB 0.529 30.302 29.762 0.019 0.000 1.434 159 H HN 0.706 nan 8.280 nan 0.000 0.565 160 G N 2.628 111.197 108.800 -0.385 0.000 2.391 160 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.204 160 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.204 160 G C 0.463 175.281 174.900 -0.136 0.000 1.012 160 G CA 0.094 45.026 45.100 -0.279 0.000 0.651 160 G HN 0.864 nan 8.290 nan 0.000 0.494 161 S N 0.248 115.899 115.700 -0.082 0.000 2.580 161 S HA 0.568 5.038 4.470 -0.000 0.000 0.274 161 S C 0.973 175.558 174.600 -0.026 0.000 1.329 161 S CA 0.250 58.425 58.200 -0.042 0.000 1.036 161 S CB 1.268 64.449 63.200 -0.031 0.000 0.919 161 S HN 0.262 nan 8.310 nan 0.000 0.515 162 Q N 1.629 121.423 119.800 -0.010 0.000 2.217 162 Q HA 0.232 4.572 4.340 -0.000 0.000 0.217 162 Q C 0.514 176.529 176.000 0.024 0.000 0.844 162 Q CA -0.002 55.805 55.803 0.007 0.000 0.957 162 Q CB 0.544 29.285 28.738 0.005 0.000 1.127 162 Q HN 0.679 nan 8.270 nan 0.000 0.503 163 E N 0.268 120.483 120.200 0.024 0.000 2.415 163 E HA 0.196 4.546 4.350 -0.000 0.000 0.197 163 E C 0.017 176.658 176.600 0.068 0.000 1.007 163 E CA 0.178 56.608 56.400 0.050 0.000 0.890 163 E CB 1.032 30.763 29.700 0.051 0.000 0.891 163 E HN 0.114 nan 8.360 nan 0.000 0.496 164 A N 1.674 124.506 122.820 0.020 0.000 3.277 164 A HA 0.261 4.581 4.320 -0.000 0.000 0.281 164 A C -2.213 175.362 177.584 -0.015 0.000 1.179 164 A CA -0.732 51.294 52.037 -0.017 0.000 0.879 164 A CB 0.583 19.464 19.000 -0.199 0.000 1.374 164 A HN -0.140 nan 8.150 nan 0.000 0.590 165 P HA 0.154 nan 4.420 nan 0.000 0.229 165 P C 0.876 178.231 177.300 0.092 0.000 1.160 165 P CA 1.680 64.817 63.100 0.063 0.000 0.777 165 P CB 0.176 31.915 31.700 0.065 0.000 0.814 166 G N 0.896 109.730 108.800 0.057 0.000 2.692 166 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 166 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 166 G C -0.153 174.775 174.900 0.046 0.000 1.243 166 G CA -0.314 44.831 45.100 0.076 0.000 0.782 166 G HN 0.142 nan 8.290 nan 0.000 0.625 167 N N -2.225 116.508 118.700 0.055 0.000 2.829 167 N HA -0.256 4.484 4.740 -0.000 0.000 0.250 167 N C 1.737 177.133 175.510 -0.191 0.000 1.090 167 N CA 2.382 55.400 53.050 -0.053 0.000 0.781 167 N CB -1.638 36.743 38.487 -0.177 0.000 1.124 167 N HN 1.891 nan 8.380 nan 0.000 0.559 168 V N -3.325 116.447 119.914 -0.237 0.000 2.871 168 V HA 0.151 4.271 4.120 -0.000 0.000 0.256 168 V C 2.235 178.211 176.094 -0.197 0.000 1.082 168 V CA 2.014 64.222 62.300 -0.155 0.000 1.105 168 V CB -0.555 31.228 31.823 -0.068 0.000 0.713 168 V HN 0.258 nan 8.190 nan 0.000 0.473 169 G N 0.345 108.829 108.800 -0.526 0.000 2.422 169 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 169 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 169 G C 1.514 176.424 174.900 0.018 0.000 1.140 169 G CA 0.984 45.952 45.100 -0.220 0.000 0.775 169 G HN 0.508 nan 8.290 nan 0.000 0.545 170 L N -0.231 120.955 121.223 -0.061 0.000 2.044 170 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 170 L C 2.862 179.834 176.870 0.170 0.000 1.075 170 L CA 0.503 55.311 54.840 -0.054 0.000 0.747 170 L CB -0.304 41.434 42.059 -0.534 0.000 0.903 170 L HN 0.180 nan 8.230 nan 0.000 0.435 171 L N -0.540 120.769 121.223 0.144 0.000 2.083 171 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 171 L C 2.233 179.217 176.870 0.190 0.000 1.083 171 L CA 0.983 55.962 54.840 0.232 0.000 0.752 171 L CB -0.666 41.489 42.059 0.160 0.000 0.899 171 L HN 0.295 nan 8.230 nan 0.000 0.433 172 D N -0.068 120.433 120.400 0.170 0.000 2.104 172 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 172 D C 2.274 178.703 176.300 0.215 0.000 0.994 172 D CA 1.247 55.409 54.000 0.270 0.000 0.830 172 D CB -0.205 40.782 40.800 0.312 0.000 0.959 172 D HN 0.412 nan 8.370 nan 0.000 0.452 173 Q N 0.052 119.931 119.800 0.133 0.000 2.096 173 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 173 Q C 2.282 178.228 176.000 -0.089 0.000 0.982 173 Q CA 1.033 56.833 55.803 -0.006 0.000 0.850 173 Q CB -0.063 28.703 28.738 0.047 0.000 0.901 173 Q HN 0.203 nan 8.270 nan 0.000 0.422 174 R N 0.433 120.950 120.500 0.029 0.000 2.096 174 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 174 R C 2.133 178.430 176.300 -0.005 0.000 1.127 174 R CA 1.387 57.468 56.100 -0.032 0.000 0.968 174 R CB -0.101 30.262 30.300 0.105 0.000 0.861 174 R HN 0.261 nan 8.270 nan 0.000 0.440 175 M N -0.148 119.493 119.600 0.069 0.000 2.200 175 M HA -0.012 4.468 4.480 -0.000 0.000 0.265 175 M C 2.050 178.376 176.300 0.043 0.000 1.066 175 M CA 1.757 57.139 55.300 0.137 0.000 1.127 175 M CB 0.078 32.853 32.600 0.291 0.000 1.379 175 M HN 0.262 nan 8.290 nan 0.000 0.420 176 A N 0.259 122.880 122.820 -0.331 0.000 1.930 176 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 176 A C 2.028 179.514 177.584 -0.162 0.000 1.175 176 A CA 1.270 52.899 52.037 -0.679 0.000 0.627 176 A CB -0.934 17.331 19.000 -1.225 0.000 0.815 176 A HN 0.565 nan 8.150 nan 0.000 0.443 177 L N -1.119 120.029 121.223 -0.125 0.000 2.056 177 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 177 L C 2.869 179.780 176.870 0.069 0.000 1.078 177 L CA 1.775 56.596 54.840 -0.032 0.000 0.749 177 L CB -0.453 41.544 42.059 -0.105 0.000 0.901 177 L HN 0.506 nan 8.230 nan 0.000 0.433 178 Q N -0.412 119.426 119.800 0.062 0.000 2.124 178 Q HA -0.269 4.070 4.340 -0.000 0.000 0.202 178 Q C 1.974 178.085 176.000 0.186 0.000 0.977 178 Q CA 1.948 57.806 55.803 0.090 0.000 0.850 178 Q CB -0.462 28.318 28.738 0.070 0.000 0.901 178 Q HN 0.472 nan 8.270 nan 0.000 0.429 179 W N -0.739 120.582 121.300 0.036 0.000 2.358 179 W HA -0.164 4.496 4.660 -0.000 0.000 0.303 179 W C 1.816 178.373 176.519 0.062 0.000 1.208 179 W CA 1.739 59.126 57.345 0.069 0.000 1.274 179 W CB -0.234 29.268 29.460 0.069 0.000 1.138 179 W HN 0.011 nan 8.180 nan 0.000 0.515 180 V N 0.179 120.302 119.914 0.349 0.000 2.287 180 V HA -0.395 3.725 4.120 -0.000 0.000 0.248 180 V C 2.569 178.694 176.094 0.052 0.000 1.053 180 V CA 2.386 64.810 62.300 0.205 0.000 1.027 180 V CB -1.399 30.531 31.823 0.179 0.000 0.646 180 V HN 0.372 nan 8.190 nan 0.000 0.447 181 H N 0.144 119.207 119.070 -0.011 0.000 2.422 181 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 181 H C 1.806 177.062 175.328 -0.119 0.000 1.098 181 H CA 1.993 58.010 56.048 -0.051 0.000 1.315 181 H CB 0.062 29.810 29.762 -0.023 0.000 1.382 181 H HN 0.435 nan 8.280 nan 0.000 0.523 182 D N -0.518 119.865 120.400 -0.029 0.000 2.305 182 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 182 D C 1.267 177.373 176.300 -0.323 0.000 0.974 182 D CA 0.481 54.394 54.000 -0.145 0.000 0.871 182 D CB 0.128 40.873 40.800 -0.092 0.000 0.947 182 D HN 0.476 nan 8.370 nan 0.000 0.516 183 N N -0.320 118.108 118.700 -0.453 0.000 2.211 183 N HA 0.027 4.767 4.740 -0.000 0.000 0.216 183 N C 1.481 176.788 175.510 -0.339 0.000 1.240 183 N CA -0.143 52.611 53.050 -0.492 0.000 0.895 183 N CB 1.128 39.055 38.487 -0.933 0.000 1.102 183 N HN -0.019 nan 8.380 nan 0.000 0.498 184 I N 3.429 123.863 120.570 -0.226 0.000 2.315 184 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 184 I C 2.627 178.708 176.117 -0.060 0.000 1.125 184 I CA 1.564 62.843 61.300 -0.034 0.000 1.392 184 I CB -0.214 37.772 38.000 -0.024 0.000 1.065 184 I HN 0.221 nan 8.210 nan 0.000 0.424 185 Q N -0.589 118.993 119.800 -0.364 0.000 2.181 185 Q HA -0.246 4.094 4.340 -0.000 0.000 0.205 185 Q C 1.730 177.496 176.000 -0.390 0.000 0.980 185 Q CA 1.731 57.286 55.803 -0.414 0.000 0.862 185 Q CB -0.889 27.512 28.738 -0.560 0.000 0.905 185 Q HN 0.458 nan 8.270 nan 0.000 0.429 186 F N -0.489 119.425 119.950 -0.060 0.000 2.771 186 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 186 F C 0.591 176.137 175.800 -0.424 0.000 1.177 186 F CA 0.154 58.005 58.000 -0.248 0.000 1.450 186 F CB -0.106 38.671 39.000 -0.371 0.000 1.114 186 F HN 0.008 nan 8.300 nan 0.000 0.587 187 F N -0.899 119.021 119.950 -0.050 0.000 2.706 187 F HA 0.448 4.975 4.527 -0.000 0.000 0.313 187 F C 1.730 177.515 175.800 -0.025 0.000 1.096 187 F CA 0.194 58.149 58.000 -0.074 0.000 1.219 187 F CB 0.452 39.372 39.000 -0.134 0.000 1.051 187 F HN 0.008 nan 8.300 nan 0.000 0.568 188 G N 0.244 109.105 108.800 0.101 0.000 2.176 188 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.232 188 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.232 188 G C 0.628 175.560 174.900 0.054 0.000 0.986 188 G CA -0.306 44.835 45.100 0.069 0.000 0.643 188 G HN 0.693 nan 8.290 nan 0.000 0.522 189 G N -0.203 108.633 108.800 0.059 0.000 2.420 189 G HA2 0.486 4.446 3.960 -0.000 0.000 0.284 189 G HA3 0.486 4.446 3.960 -0.000 0.000 0.284 189 G C -0.712 174.169 174.900 -0.030 0.000 1.177 189 G CA 0.403 45.521 45.100 0.030 0.000 0.841 189 G HN 0.299 nan 8.290 nan 0.000 0.527 190 D N 2.006 122.390 120.400 -0.028 0.000 2.396 190 D HA 0.266 4.906 4.640 -0.000 0.000 0.225 190 D C -0.891 175.372 176.300 -0.062 0.000 1.121 190 D CA -2.425 51.541 54.000 -0.057 0.000 0.853 190 D CB 1.818 42.592 40.800 -0.043 0.000 1.043 190 D HN 0.076 nan 8.370 nan 0.000 0.500 191 P HA -0.179 nan 4.420 nan 0.000 0.219 191 P C 0.731 177.999 177.300 -0.055 0.000 1.146 191 P CA 0.798 63.832 63.100 -0.110 0.000 0.808 191 P CB 0.381 31.917 31.700 -0.273 0.000 0.779 192 K N -0.477 119.884 120.400 -0.065 0.000 2.432 192 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 192 K C 0.697 177.281 176.600 -0.026 0.000 1.038 192 K CA 0.691 56.955 56.287 -0.038 0.000 0.986 192 K CB -0.745 31.725 32.500 -0.049 0.000 0.782 192 K HN 0.155 nan 8.250 nan 0.000 0.485 193 T N 1.501 116.042 114.554 -0.022 0.000 3.514 193 T HA 0.202 4.552 4.350 -0.000 0.000 0.259 193 T C -0.326 174.380 174.700 0.010 0.000 1.466 193 T CA -0.576 61.511 62.100 -0.020 0.000 1.562 193 T CB 0.289 69.133 68.868 -0.040 0.000 0.924 193 T HN -0.040 nan 8.240 nan 0.000 0.678 194 V N -0.527 119.420 119.914 0.055 0.000 2.435 194 V HA 0.809 4.929 4.120 -0.000 0.000 0.290 194 V C -0.245 175.943 176.094 0.157 0.000 1.030 194 V CA -0.447 61.915 62.300 0.104 0.000 0.881 194 V CB 1.633 33.540 31.823 0.140 0.000 0.983 194 V HN 0.313 nan 8.190 nan 0.000 0.445 195 T N 7.304 121.939 114.554 0.136 0.000 2.779 195 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 195 T C -0.016 174.811 174.700 0.213 0.000 0.987 195 T CA -0.184 62.017 62.100 0.168 0.000 0.966 195 T CB 0.986 69.898 68.868 0.074 0.000 0.933 195 T HN 0.925 nan 8.240 nan 0.000 0.442 196 I N 1.462 122.145 120.570 0.189 0.000 2.428 196 I HA 0.878 5.048 4.170 -0.000 0.000 0.296 196 I C -0.870 175.424 176.117 0.294 0.000 0.985 196 I CA -1.016 60.372 61.300 0.147 0.000 1.260 196 I CB 0.944 38.811 38.000 -0.223 0.000 1.389 196 I HN 0.511 nan 8.210 nan 0.000 0.484 197 F N 2.839 122.789 119.950 -0.001 0.000 2.628 197 F HA 0.981 5.508 4.527 -0.000 0.000 0.309 197 F C -0.486 175.201 175.800 -0.188 0.000 1.108 197 F CA -1.263 56.754 58.000 0.028 0.000 0.971 197 F CB 1.213 40.359 39.000 0.244 0.000 1.279 197 F HN 0.825 nan 8.300 nan 0.000 0.441 198 G N 1.095 109.710 108.800 -0.309 0.000 2.660 198 G HA2 0.521 4.481 3.960 -0.000 0.000 0.290 198 G HA3 0.521 4.481 3.960 -0.000 0.000 0.290 198 G C -2.430 172.257 174.900 -0.355 0.000 1.432 198 G CA -0.800 43.782 45.100 -0.863 0.000 0.807 198 G HN 0.841 nan 8.290 nan 0.000 0.485 199 E N 0.272 120.261 120.200 -0.352 0.000 2.222 199 E HA 0.599 4.949 4.350 -0.000 0.000 0.267 199 E C 0.619 177.165 176.600 -0.090 0.000 0.884 199 E CA 0.242 56.633 56.400 -0.014 0.000 0.764 199 E CB 2.000 31.849 29.700 0.248 0.000 1.169 199 E HN 0.778 nan 8.360 nan 0.000 0.413 200 S N 3.095 118.781 115.700 -0.024 0.000 4.114 200 S HA -0.395 4.075 4.470 -0.000 0.000 0.618 200 S C 1.483 176.120 174.600 0.061 0.000 1.937 200 S CA 2.138 60.381 58.200 0.072 0.000 4.228 200 S CB -1.617 61.594 63.200 0.018 0.000 0.216 200 S HN 0.983 nan 8.310 nan 0.000 0.528 201 A N 0.955 123.713 122.820 -0.103 0.000 2.024 201 A HA 0.114 4.434 4.320 -0.000 0.000 0.220 201 A C 2.416 179.689 177.584 -0.518 0.000 1.164 201 A CA 2.509 54.288 52.037 -0.430 0.000 0.643 201 A CB -1.495 16.942 19.000 -0.939 0.000 0.806 201 A HN 1.589 nan 8.150 nan 0.000 0.451 202 G N -0.972 107.607 108.800 -0.368 0.000 2.430 202 G HA2 0.141 4.101 3.960 -0.000 0.000 0.216 202 G HA3 0.141 4.101 3.960 -0.000 0.000 0.216 202 G C 1.412 176.101 174.900 -0.350 0.000 1.146 202 G CA 1.080 45.925 45.100 -0.425 0.000 0.793 202 G HN 0.654 nan 8.290 nan 0.000 0.537 203 G N 1.035 109.690 108.800 -0.242 0.000 2.403 203 G HA2 0.128 4.088 3.960 -0.000 0.000 0.216 203 G HA3 0.128 4.088 3.960 -0.000 0.000 0.216 203 G C 2.013 176.778 174.900 -0.224 0.000 1.154 203 G CA 1.336 46.322 45.100 -0.189 0.000 0.784 203 G HN 0.544 nan 8.290 nan 0.000 0.538 204 A N 1.042 123.747 122.820 -0.192 0.000 1.908 204 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 204 A C 2.694 180.172 177.584 -0.176 0.000 1.181 204 A CA 2.285 54.190 52.037 -0.220 0.000 0.627 204 A CB -0.703 18.202 19.000 -0.157 0.000 0.818 204 A HN 0.302 nan 8.150 nan 0.000 0.445 205 S N -0.407 115.203 115.700 -0.150 0.000 2.359 205 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 205 S C 1.922 176.369 174.600 -0.255 0.000 1.039 205 S CA 1.548 59.626 58.200 -0.204 0.000 1.042 205 S CB -0.683 62.347 63.200 -0.284 0.000 0.915 205 S HN 0.356 nan 8.310 nan 0.000 0.439 206 V N 1.653 121.443 119.914 -0.208 0.000 2.252 206 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 206 V C 2.641 178.643 176.094 -0.153 0.000 1.056 206 V CA 2.144 64.339 62.300 -0.175 0.000 1.022 206 V CB -1.532 30.183 31.823 -0.180 0.000 0.641 206 V HN 0.623 nan 8.190 nan 0.000 0.445 207 G N -1.277 107.385 108.800 -0.230 0.000 2.448 207 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 207 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 207 G C 1.572 176.434 174.900 -0.064 0.000 1.127 207 G CA 1.021 45.966 45.100 -0.258 0.000 0.766 207 G HN 0.474 nan 8.290 nan 0.000 0.552 208 M N -0.300 119.266 119.600 -0.057 0.000 2.319 208 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 208 M C 2.090 178.519 176.300 0.215 0.000 1.068 208 M CA 0.735 56.141 55.300 0.177 0.000 1.118 208 M CB -0.091 32.618 32.600 0.183 0.000 1.395 208 M HN 0.166 nan 8.290 nan 0.000 0.435 209 H N -0.465 118.710 119.070 0.176 0.000 2.529 209 H HA 0.111 4.667 4.556 -0.000 0.000 0.277 209 H C 2.002 177.514 175.328 0.306 0.000 0.999 209 H CA 1.039 57.176 56.048 0.149 0.000 1.256 209 H CB -0.020 29.693 29.762 -0.081 0.000 1.402 209 H HN 0.400 nan 8.280 nan 0.000 0.566 210 I N 0.169 120.985 120.570 0.410 0.000 2.353 210 I HA -0.191 3.978 4.170 -0.000 0.000 0.248 210 I C 2.014 178.370 176.117 0.398 0.000 1.119 210 I CA 0.588 62.185 61.300 0.494 0.000 1.417 210 I CB 0.090 38.304 38.000 0.356 0.000 1.078 210 I HN 0.081 nan 8.210 nan 0.000 0.421 211 L N -0.555 120.873 121.223 0.341 0.000 2.004 211 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 211 L C 1.537 178.549 176.870 0.237 0.000 1.089 211 L CA 0.360 55.410 54.840 0.350 0.000 0.756 211 L CB -0.652 41.643 42.059 0.392 0.000 0.900 211 L HN 0.075 nan 8.230 nan 0.000 0.440 212 S N 0.992 116.773 115.700 0.136 0.000 3.225 212 S HA -0.066 4.404 4.470 -0.000 0.000 0.378 212 S C -1.495 173.014 174.600 -0.151 0.000 1.190 212 S CA -0.906 57.181 58.200 -0.187 0.000 1.104 212 S CB 0.295 62.991 63.200 -0.839 0.000 0.795 212 S HN 0.000 nan 8.310 nan 0.000 0.517 213 P HA -0.077 nan 4.420 nan 0.000 0.217 213 P C 1.349 178.573 177.300 -0.128 0.000 1.151 213 P CA 1.486 64.532 63.100 -0.090 0.000 0.849 213 P CB -0.177 31.476 31.700 -0.078 0.000 0.787 214 G N -1.914 106.753 108.800 -0.222 0.000 2.956 214 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.207 214 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.207 214 G C 1.148 175.942 174.900 -0.177 0.000 1.162 214 G CA 0.357 45.333 45.100 -0.208 0.000 0.796 214 G HN 0.219 nan 8.290 nan 0.000 0.527 215 S N -0.808 114.820 115.700 -0.119 0.000 2.593 215 S HA 0.129 4.599 4.470 -0.000 0.000 0.235 215 S C 2.100 176.802 174.600 0.169 0.000 1.059 215 S CA -0.515 57.702 58.200 0.029 0.000 0.953 215 S CB 0.310 63.603 63.200 0.154 0.000 0.897 215 S HN 0.328 nan 8.310 nan 0.000 0.507 216 R N 2.084 122.635 120.500 0.085 0.000 2.140 216 R HA -0.123 4.217 4.340 -0.000 0.000 0.250 216 R C 0.744 176.879 176.300 -0.274 0.000 1.150 216 R CA 1.739 57.796 56.100 -0.072 0.000 0.966 216 R CB -0.360 29.908 30.300 -0.053 0.000 0.869 216 R HN 0.304 nan 8.270 nan 0.000 0.445 217 D N 0.258 120.565 120.400 -0.155 0.000 2.349 217 D HA -0.009 4.631 4.640 -0.000 0.000 0.224 217 D C 1.183 177.403 176.300 -0.134 0.000 1.029 217 D CA 0.622 54.522 54.000 -0.166 0.000 0.879 217 D CB 0.251 40.971 40.800 -0.133 0.000 0.906 217 D HN 0.270 nan 8.370 nan 0.000 0.528 218 L N 0.024 121.222 121.223 -0.041 0.000 2.611 218 L HA 0.147 4.486 4.340 -0.000 0.000 0.229 218 L C -0.060 176.970 176.870 0.267 0.000 1.137 218 L CA -0.041 54.845 54.840 0.076 0.000 0.901 218 L CB -0.138 41.956 42.059 0.060 0.000 1.098 218 L HN -0.080 nan 8.230 nan 0.000 0.456 219 F N -4.479 115.476 119.950 0.009 0.000 2.713 219 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 219 F C 0.305 176.128 175.800 0.038 0.000 1.141 219 F CA -1.379 56.640 58.000 0.031 0.000 0.939 219 F CB 1.081 40.099 39.000 0.032 0.000 1.325 219 F HN -0.410 nan 8.300 nan 0.000 0.453 220 R N 0.712 121.251 120.500 0.066 0.000 2.062 220 R HA 0.473 4.813 4.340 -0.000 0.000 0.218 220 R C -0.075 176.253 176.300 0.045 0.000 1.161 220 R CA 1.107 57.190 56.100 -0.028 0.000 0.994 220 R CB 0.193 30.494 30.300 0.001 0.000 0.888 220 R HN 0.816 nan 8.270 nan 0.000 0.442 221 R N -1.336 119.304 120.500 0.234 0.000 2.930 221 R HA 0.780 5.120 4.340 -0.000 0.000 0.257 221 R C -1.363 175.228 176.300 0.485 0.000 1.107 221 R CA -0.732 55.552 56.100 0.306 0.000 0.999 221 R CB 2.030 32.387 30.300 0.095 0.000 1.209 221 R HN 0.210 nan 8.270 nan 0.000 0.486 222 A N 1.095 124.174 122.820 0.431 0.000 2.449 222 A HA 0.701 5.021 4.320 -0.000 0.000 0.302 222 A C -1.112 176.551 177.584 0.131 0.000 1.048 222 A CA -0.671 51.520 52.037 0.257 0.000 0.708 222 A CB 1.241 20.354 19.000 0.189 0.000 1.274 222 A HN 0.578 nan 8.150 nan 0.000 0.410 223 I N 2.124 122.732 120.570 0.063 0.000 2.447 223 I HA 0.327 4.496 4.170 -0.000 0.000 0.287 223 I C -1.501 174.628 176.117 0.021 0.000 1.023 223 I CA -0.591 60.668 61.300 -0.068 0.000 1.083 223 I CB 1.817 39.746 38.000 -0.118 0.000 1.245 223 I HN 0.416 nan 8.210 nan 0.000 0.434 224 L N 6.798 128.000 121.223 -0.035 0.000 2.294 224 L HA 0.410 4.750 4.340 -0.000 0.000 0.283 224 L C -0.280 176.624 176.870 0.058 0.000 1.015 224 L CA -0.259 54.564 54.840 -0.029 0.000 0.831 224 L CB 1.270 43.245 42.059 -0.139 0.000 1.217 224 L HN 0.485 nan 8.230 nan 0.000 0.420 225 Q N 2.005 121.896 119.800 0.152 0.000 2.368 225 Q HA 0.424 4.764 4.340 -0.000 0.000 0.256 225 Q C 0.130 176.210 176.000 0.134 0.000 0.980 225 Q CA -0.528 55.431 55.803 0.261 0.000 0.887 225 Q CB 1.241 30.241 28.738 0.436 0.000 1.221 225 Q HN 0.653 nan 8.270 nan 0.000 0.458 226 S N 1.054 116.819 115.700 0.109 0.000 3.549 226 S HA -0.176 4.294 4.470 -0.000 0.000 0.366 226 S C 0.088 174.784 174.600 0.159 0.000 1.012 226 S CA 0.579 58.853 58.200 0.124 0.000 1.141 226 S CB -1.192 62.069 63.200 0.102 0.000 0.910 226 S HN 0.983 nan 8.310 nan 0.000 0.471 227 G N -0.387 108.453 108.800 0.067 0.000 2.655 227 G HA2 0.616 4.576 3.960 -0.000 0.000 0.296 227 G HA3 0.616 4.576 3.960 -0.000 0.000 0.296 227 G C -0.982 173.822 174.900 -0.160 0.000 1.485 227 G CA 0.099 45.232 45.100 0.054 0.000 0.869 227 G HN 1.076 nan 8.290 nan 0.000 0.540 228 S N 1.179 116.707 115.700 -0.287 0.000 2.579 228 S HA 0.790 5.260 4.470 -0.000 0.000 0.272 228 S C -1.979 172.302 174.600 -0.531 0.000 1.141 228 S CA -1.060 56.824 58.200 -0.526 0.000 0.843 228 S CB 2.936 65.806 63.200 -0.549 0.000 1.122 228 S HN 0.439 nan 8.310 nan 0.000 0.468 229 P HA -0.184 nan 4.420 nan 0.000 0.216 229 P C 0.716 177.768 177.300 -0.414 0.000 1.153 229 P CA 1.634 64.475 63.100 -0.432 0.000 0.858 229 P CB -0.425 31.072 31.700 -0.338 0.000 0.789 230 N N -0.509 117.995 118.700 -0.327 0.000 2.485 230 N HA -0.036 4.704 4.740 -0.000 0.000 0.199 230 N C -0.065 175.226 175.510 -0.365 0.000 1.236 230 N CA -0.062 52.831 53.050 -0.261 0.000 0.852 230 N CB -1.515 36.943 38.487 -0.047 0.000 1.018 230 N HN 0.080 nan 8.380 nan 0.000 0.457 231 C N 2.545 121.508 119.300 -0.562 0.000 2.662 231 C HA 0.123 4.583 4.460 -0.000 0.000 0.420 231 C C -0.108 174.414 174.990 -0.779 0.000 1.314 231 C CA -1.045 57.516 59.018 -0.762 0.000 1.963 231 C CB 1.193 28.141 27.740 -1.320 0.000 2.686 231 C HN 0.356 nan 8.230 nan 0.000 0.609 232 P HA -0.127 nan 4.420 nan 0.000 0.218 232 P C 1.018 178.102 177.300 -0.360 0.000 1.146 232 P CA 1.886 64.713 63.100 -0.454 0.000 0.813 232 P CB -0.075 31.357 31.700 -0.446 0.000 0.778 233 W N -1.835 119.333 121.300 -0.219 0.000 3.239 233 W HA 0.651 5.311 4.660 -0.000 0.000 0.348 233 W C 0.846 177.371 176.519 0.010 0.000 1.183 233 W CA 0.224 57.494 57.345 -0.124 0.000 1.819 233 W CB -0.881 28.512 29.460 -0.111 0.000 1.091 233 W HN -0.101 nan 8.180 nan 0.000 0.629 234 A N 1.253 123.733 122.820 -0.567 0.000 2.220 234 A HA 0.271 4.591 4.320 -0.000 0.000 0.211 234 A C 0.925 178.274 177.584 -0.392 0.000 1.176 234 A CA 0.943 52.726 52.037 -0.423 0.000 0.834 234 A CB -0.375 18.169 19.000 -0.761 0.000 0.868 234 A HN 0.185 nan 8.150 nan 0.000 0.488 235 S N -1.698 113.784 115.700 -0.362 0.000 2.615 235 S HA 0.675 5.144 4.470 -0.000 0.000 0.269 235 S C -0.840 173.602 174.600 -0.263 0.000 1.161 235 S CA -0.080 57.903 58.200 -0.363 0.000 0.817 235 S CB 1.307 64.231 63.200 -0.460 0.000 1.131 235 S HN 1.299 nan 8.310 nan 0.000 0.467 236 V N -1.322 118.461 119.914 -0.219 0.000 3.181 236 V HA 0.930 5.050 4.120 -0.000 0.000 0.308 236 V C 0.206 176.217 176.094 -0.138 0.000 1.214 236 V CA -0.490 61.712 62.300 -0.162 0.000 1.053 236 V CB 1.064 32.810 31.823 -0.128 0.000 1.069 236 V HN 1.537 nan 8.190 nan 0.000 0.441 237 S N 0.547 116.181 115.700 -0.110 0.000 2.600 237 S HA 0.328 4.797 4.470 -0.000 0.000 0.265 237 S C 1.299 175.854 174.600 -0.076 0.000 1.325 237 S CA 0.055 58.200 58.200 -0.093 0.000 1.002 237 S CB 1.242 64.398 63.200 -0.073 0.000 0.921 237 S HN 2.054 nan 8.310 nan 0.000 0.554 238 V N -0.510 119.352 119.914 -0.087 0.000 2.407 238 V HA -0.034 4.086 4.120 -0.000 0.000 0.248 238 V C 2.725 178.811 176.094 -0.014 0.000 1.055 238 V CA 1.725 63.982 62.300 -0.072 0.000 1.049 238 V CB -2.240 29.503 31.823 -0.132 0.000 0.662 238 V HN 1.014 nan 8.190 nan 0.000 0.455 239 A N 0.842 123.651 122.820 -0.018 0.000 1.851 239 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 239 A C 2.239 179.815 177.584 -0.012 0.000 1.195 239 A CA 2.252 54.285 52.037 -0.006 0.000 0.622 239 A CB -0.829 18.164 19.000 -0.012 0.000 0.831 239 A HN 0.605 nan 8.150 nan 0.000 0.444 240 E N 0.091 120.272 120.200 -0.031 0.000 2.153 240 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 240 E C 1.883 178.464 176.600 -0.032 0.000 0.988 240 E CA 1.526 57.902 56.400 -0.040 0.000 0.811 240 E CB -0.763 28.900 29.700 -0.063 0.000 0.746 240 E HN 0.441 nan 8.360 nan 0.000 0.466 241 G N 0.338 109.128 108.800 -0.017 0.000 2.394 241 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 241 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 241 G C 1.738 176.667 174.900 0.047 0.000 1.165 241 G CA 0.684 45.797 45.100 0.021 0.000 0.784 241 G HN 0.305 nan 8.290 nan 0.000 0.535 242 R N 0.330 120.850 120.500 0.033 0.000 2.070 242 R HA -0.002 4.338 4.340 -0.000 0.000 0.233 242 R C 2.569 178.884 176.300 0.024 0.000 1.137 242 R CA 1.426 57.545 56.100 0.032 0.000 0.945 242 R CB -0.402 29.917 30.300 0.032 0.000 0.845 242 R HN 0.289 nan 8.270 nan 0.000 0.430 243 R N 0.529 121.036 120.500 0.012 0.000 2.096 243 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 243 R C 2.183 178.489 176.300 0.009 0.000 1.139 243 R CA 2.100 58.203 56.100 0.005 0.000 0.952 243 R CB -0.156 30.139 30.300 -0.009 0.000 0.854 243 R HN 0.292 nan 8.270 nan 0.000 0.436 244 R N -0.371 120.132 120.500 0.004 0.000 2.115 244 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 244 R C 2.318 178.698 176.300 0.134 0.000 1.100 244 R CA 1.028 57.131 56.100 0.004 0.000 0.980 244 R CB -0.208 30.012 30.300 -0.133 0.000 0.875 244 R HN 0.274 nan 8.270 nan 0.000 0.445 245 A N 0.766 123.676 122.820 0.151 0.000 1.898 245 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 245 A C 2.316 179.924 177.584 0.040 0.000 1.181 245 A CA 1.206 53.313 52.037 0.117 0.000 0.620 245 A CB -0.434 18.576 19.000 0.016 0.000 0.819 245 A HN 0.096 nan 8.150 nan 0.000 0.442 246 V N -0.013 119.917 119.914 0.027 0.000 2.358 246 V HA -0.211 3.908 4.120 -0.000 0.000 0.246 246 V C 2.579 178.688 176.094 0.025 0.000 1.047 246 V CA 2.327 64.635 62.300 0.013 0.000 1.035 246 V CB -0.673 31.156 31.823 0.010 0.000 0.658 246 V HN 0.664 nan 8.190 nan 0.000 0.452 247 E N 0.202 120.424 120.200 0.035 0.000 2.204 247 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 247 E C 1.875 178.510 176.600 0.058 0.000 0.990 247 E CA 1.038 57.461 56.400 0.037 0.000 0.821 247 E CB -0.378 29.335 29.700 0.023 0.000 0.750 247 E HN 0.474 nan 8.360 nan 0.000 0.477 248 L N -0.593 120.687 121.223 0.094 0.000 2.093 248 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 248 L C 2.087 178.987 176.870 0.049 0.000 1.085 248 L CA 2.154 57.060 54.840 0.110 0.000 0.755 248 L CB -0.872 41.282 42.059 0.158 0.000 0.904 248 L HN 0.209 nan 8.230 nan 0.000 0.435 249 G N -0.856 107.958 108.800 0.023 0.000 2.421 249 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 249 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 249 G C 1.766 176.679 174.900 0.021 0.000 1.171 249 G CA 0.754 45.859 45.100 0.009 0.000 0.775 249 G HN 0.389 nan 8.290 nan 0.000 0.543 250 R N 0.472 120.987 120.500 0.024 0.000 2.094 250 R HA -0.105 4.235 4.340 -0.000 0.000 0.239 250 R C 2.350 178.669 176.300 0.031 0.000 1.137 250 R CA 1.701 57.816 56.100 0.025 0.000 0.943 250 R CB -0.453 29.862 30.300 0.024 0.000 0.850 250 R HN 0.324 nan 8.270 nan 0.000 0.433 251 N N 0.213 118.936 118.700 0.039 0.000 2.348 251 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 251 N C 1.058 176.595 175.510 0.044 0.000 1.019 251 N CA 1.036 54.114 53.050 0.046 0.000 0.880 251 N CB 0.056 38.579 38.487 0.060 0.000 0.965 251 N HN 0.326 nan 8.380 nan 0.000 0.437 252 L N 0.674 121.920 121.223 0.039 0.000 2.818 252 L HA 0.166 4.506 4.340 -0.000 0.000 0.243 252 L C -0.458 176.430 176.870 0.030 0.000 1.185 252 L CA -0.185 54.676 54.840 0.035 0.000 0.988 252 L CB -0.038 42.040 42.059 0.031 0.000 1.292 252 L HN 0.002 nan 8.230 nan 0.000 0.519 253 N N 0.066 118.783 118.700 0.028 0.000 2.648 253 N HA -0.169 4.571 4.740 -0.000 0.000 0.265 253 N C -0.919 174.607 175.510 0.026 0.000 1.100 253 N CA 0.494 53.560 53.050 0.026 0.000 0.715 253 N CB -1.617 36.886 38.487 0.027 0.000 0.881 253 N HN 0.184 nan 8.380 nan 0.000 0.548 254 c N 1.234 119.848 118.600 0.024 0.000 2.417 254 c HA 0.410 4.980 4.570 -0.000 0.000 0.324 254 c C 0.930 175.034 174.090 0.024 0.000 1.240 254 c CA -1.261 55.083 56.329 0.025 0.000 1.632 254 c CB 1.227 43.748 42.510 0.019 0.000 2.241 254 c HN 0.636 nan 8.230 nan 0.000 0.499 255 N N 2.508 121.226 118.700 0.030 0.000 2.447 255 N HA 0.093 4.833 4.740 -0.000 0.000 0.263 255 N C -0.112 175.410 175.510 0.019 0.000 1.226 255 N CA 0.349 53.414 53.050 0.024 0.000 0.906 255 N CB 0.254 38.757 38.487 0.028 0.000 1.060 255 N HN 0.654 nan 8.380 nan 0.000 0.468 256 L N 1.872 123.103 121.223 0.014 0.000 2.912 256 L HA 0.243 4.582 4.340 -0.000 0.000 0.240 256 L C 1.985 178.859 176.870 0.006 0.000 1.262 256 L CA -0.091 54.754 54.840 0.009 0.000 1.058 256 L CB -1.325 40.739 42.059 0.008 0.000 1.383 256 L HN 0.727 nan 8.230 nan 0.000 0.512 257 N N 0.859 119.563 118.700 0.007 0.000 2.062 257 N HA -0.094 4.646 4.740 -0.000 0.000 0.191 257 N C 1.036 176.547 175.510 0.001 0.000 1.042 257 N CA 1.495 54.548 53.050 0.004 0.000 0.845 257 N CB 0.050 38.540 38.487 0.004 0.000 1.024 257 N HN 0.489 nan 8.380 nan 0.000 0.424 258 S N -2.319 113.381 115.700 0.001 0.000 2.627 258 S HA 0.475 4.945 4.470 -0.000 0.000 0.283 258 S C -0.458 174.140 174.600 -0.003 0.000 1.127 258 S CA -0.270 57.929 58.200 -0.002 0.000 0.863 258 S CB 1.700 64.898 63.200 -0.004 0.000 1.121 258 S HN 0.179 nan 8.310 nan 0.000 0.479 259 D N 1.130 121.525 120.400 -0.009 0.000 2.158 259 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 259 D C 1.535 177.832 176.300 -0.005 0.000 0.995 259 D CA 1.803 55.793 54.000 -0.016 0.000 0.846 259 D CB -0.221 40.565 40.800 -0.023 0.000 0.941 259 D HN 0.696 nan 8.370 nan 0.000 0.456 260 E N 1.012 121.215 120.200 0.006 0.000 2.051 260 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 260 E C 2.033 178.664 176.600 0.052 0.000 0.991 260 E CA 0.845 57.260 56.400 0.025 0.000 0.799 260 E CB -0.284 29.421 29.700 0.008 0.000 0.748 260 E HN 0.364 nan 8.360 nan 0.000 0.449 261 E N 0.582 120.801 120.200 0.032 0.000 2.033 261 E HA -0.209 4.140 4.350 -0.000 0.000 0.199 261 E C 2.181 178.824 176.600 0.071 0.000 1.011 261 E CA 0.918 57.346 56.400 0.047 0.000 0.815 261 E CB -0.621 29.093 29.700 0.024 0.000 0.755 261 E HN 0.167 nan 8.360 nan 0.000 0.451 262 L N 1.490 122.731 121.223 0.031 0.000 1.956 262 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 262 L C 2.439 179.311 176.870 0.004 0.000 1.073 262 L CA 1.630 56.474 54.840 0.006 0.000 0.762 262 L CB -0.869 41.173 42.059 -0.028 0.000 0.889 262 L HN 0.092 nan 8.230 nan 0.000 0.433 263 I N -0.864 119.702 120.570 -0.007 0.000 2.194 263 I HA -0.384 3.786 4.170 -0.000 0.000 0.246 263 I C 2.624 178.800 176.117 0.099 0.000 1.093 263 I CA 1.783 63.086 61.300 0.005 0.000 1.355 263 I CB -0.705 37.300 38.000 0.008 0.000 1.046 263 I HN 0.515 nan 8.210 nan 0.000 0.413 264 H N 0.144 119.235 119.070 0.036 0.000 2.421 264 H HA -0.226 4.330 4.556 -0.000 0.000 0.298 264 H C 2.425 177.780 175.328 0.045 0.000 1.087 264 H CA 1.967 58.041 56.048 0.044 0.000 1.330 264 H CB 0.037 29.815 29.762 0.026 0.000 1.388 264 H HN 0.509 nan 8.280 nan 0.000 0.526 265 c N 0.729 119.352 118.600 0.037 0.000 2.462 265 c HA -0.085 4.485 4.570 -0.000 0.000 0.278 265 c C 2.984 177.060 174.090 -0.023 0.000 1.253 265 c CA 0.696 57.025 56.329 0.001 0.000 1.713 265 c CB -1.303 41.231 42.510 0.040 0.000 2.049 265 c HN 0.556 nan 8.230 nan 0.000 0.477 266 L N 0.279 121.518 121.223 0.027 0.000 2.127 266 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 266 L C 2.875 179.805 176.870 0.101 0.000 1.089 266 L CA 1.613 56.512 54.840 0.099 0.000 0.757 266 L CB -0.707 41.450 42.059 0.162 0.000 0.899 266 L HN 0.353 nan 8.230 nan 0.000 0.434 267 R N -0.497 120.033 120.500 0.050 0.000 2.236 267 R HA -0.066 4.274 4.340 -0.000 0.000 0.208 267 R C 1.775 177.996 176.300 -0.132 0.000 1.036 267 R CA 0.456 56.516 56.100 -0.066 0.000 1.001 267 R CB 0.106 30.368 30.300 -0.065 0.000 0.896 267 R HN 0.286 nan 8.270 nan 0.000 0.464 268 E N 0.317 120.426 120.200 -0.151 0.000 2.447 268 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 268 E C -0.064 176.501 176.600 -0.057 0.000 1.028 268 E CA 0.409 56.734 56.400 -0.125 0.000 0.876 268 E CB 0.376 29.989 29.700 -0.146 0.000 0.885 268 E HN 0.037 nan 8.360 nan 0.000 0.500 269 K N 1.814 122.189 120.400 -0.042 0.000 2.270 269 K HA 0.130 4.450 4.320 -0.000 0.000 0.276 269 K C 0.612 177.212 176.600 -0.000 0.000 1.023 269 K CA -0.299 55.981 56.287 -0.012 0.000 0.955 269 K CB 0.862 33.360 32.500 -0.003 0.000 0.975 269 K HN -0.212 nan 8.250 nan 0.000 0.471 270 K N 2.522 122.936 120.400 0.024 0.000 2.219 270 K HA 0.073 4.393 4.320 -0.000 0.000 0.258 270 K C -1.571 175.088 176.600 0.097 0.000 1.008 270 K CA -1.932 54.383 56.287 0.048 0.000 0.928 270 K CB -0.050 32.475 32.500 0.043 0.000 0.983 270 K HN 0.202 nan 8.250 nan 0.000 0.484 271 P HA -0.205 nan 4.420 nan 0.000 0.214 271 P C 1.126 178.598 177.300 0.287 0.000 1.169 271 P CA 1.441 64.737 63.100 0.327 0.000 0.908 271 P CB 0.248 32.068 31.700 0.200 0.000 0.791 272 Q N -0.007 119.896 119.800 0.171 0.000 2.297 272 Q HA -0.208 4.132 4.340 -0.000 0.000 0.208 272 Q C 1.853 177.941 176.000 0.147 0.000 0.981 272 Q CA 1.614 57.507 55.803 0.151 0.000 0.876 272 Q CB -0.833 27.963 28.738 0.097 0.000 0.921 272 Q HN 0.377 nan 8.270 nan 0.000 0.446 273 E N -1.125 119.148 120.200 0.121 0.000 2.152 273 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 273 E C 1.375 178.034 176.600 0.098 0.000 0.983 273 E CA 0.708 57.166 56.400 0.095 0.000 0.818 273 E CB 0.088 29.827 29.700 0.065 0.000 0.758 273 E HN 0.263 nan 8.360 nan 0.000 0.467 274 L N 0.512 121.794 121.223 0.098 0.000 2.127 274 L HA -0.044 4.295 4.340 -0.000 0.000 0.203 274 L C 2.172 179.130 176.870 0.146 0.000 1.080 274 L CA 1.160 56.034 54.840 0.057 0.000 0.768 274 L CB -0.465 41.526 42.059 -0.113 0.000 0.924 274 L HN 0.117 nan 8.230 nan 0.000 0.444 275 I N -0.240 120.472 120.570 0.237 0.000 2.208 275 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 275 I C 1.899 178.200 176.117 0.306 0.000 1.097 275 I CA 1.205 62.689 61.300 0.306 0.000 1.363 275 I CB -0.360 37.840 38.000 0.334 0.000 1.051 275 I HN 0.269 nan 8.210 nan 0.000 0.413 276 D N 0.328 120.873 120.400 0.242 0.000 2.178 276 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 276 D C 1.960 178.399 176.300 0.233 0.000 0.980 276 D CA 1.467 55.609 54.000 0.237 0.000 0.842 276 D CB 0.025 40.923 40.800 0.164 0.000 0.948 276 D HN 0.391 nan 8.370 nan 0.000 0.472 277 V N -2.385 117.641 119.914 0.187 0.000 3.578 277 V HA 0.189 4.309 4.120 -0.000 0.000 0.290 277 V C 1.773 177.958 176.094 0.152 0.000 1.376 277 V CA 0.029 62.426 62.300 0.162 0.000 1.083 277 V CB 0.331 32.224 31.823 0.118 0.000 0.911 277 V HN -0.073 nan 8.190 nan 0.000 0.433 278 E N 0.735 121.018 120.200 0.137 0.000 2.086 278 E HA -0.271 4.079 4.350 -0.000 0.000 0.200 278 E C 1.615 178.101 176.600 -0.189 0.000 1.012 278 E CA 2.720 59.123 56.400 0.005 0.000 0.812 278 E CB -0.192 29.427 29.700 -0.133 0.000 0.743 278 E HN 0.850 nan 8.360 nan 0.000 0.453 279 W N 0.853 122.159 121.300 0.010 0.000 2.519 279 W HA -0.007 4.653 4.660 -0.000 0.000 0.266 279 W C 1.703 178.193 176.519 -0.048 0.000 1.253 279 W CA 0.059 57.362 57.345 -0.070 0.000 1.274 279 W CB -0.157 29.227 29.460 -0.127 0.000 1.114 279 W HN 0.055 nan 8.180 nan 0.000 0.596 280 N N 0.551 119.350 118.700 0.164 0.000 2.609 280 N HA -0.092 4.648 4.740 -0.000 0.000 0.190 280 N C 1.517 177.055 175.510 0.046 0.000 1.157 280 N CA 1.289 54.400 53.050 0.102 0.000 0.918 280 N CB -0.211 38.335 38.487 0.099 0.000 0.978 280 N HN 0.283 nan 8.380 nan 0.000 0.448 281 V N -2.036 117.877 119.914 -0.002 0.000 3.483 281 V HA 0.299 4.419 4.120 -0.000 0.000 0.301 281 V C 0.513 176.556 176.094 -0.085 0.000 1.389 281 V CA -0.216 62.057 62.300 -0.045 0.000 1.101 281 V CB -0.338 31.446 31.823 -0.065 0.000 0.971 281 V HN -0.055 nan 8.190 nan 0.000 0.434 282 L N 2.727 123.911 121.223 -0.065 0.000 2.436 282 L HA 0.432 4.772 4.340 -0.000 0.000 0.265 282 L C -1.002 175.843 176.870 -0.042 0.000 1.168 282 L CA -1.433 53.364 54.840 -0.071 0.000 0.815 282 L CB 0.508 42.543 42.059 -0.040 0.000 1.109 282 L HN 0.281 nan 8.230 nan 0.000 0.462 291 S N 1.251 116.766 115.700 -0.307 0.000 2.338 291 S HA 0.008 4.478 4.470 -0.000 0.000 0.218 291 S C 0.083 174.197 174.600 -0.811 0.000 1.032 291 S CA 1.227 59.045 58.200 -0.638 0.000 0.999 291 S CB -0.032 62.631 63.200 -0.896 0.000 0.905 291 S HN 0.348 nan 8.310 nan 0.000 0.439 292 F N 1.743 121.707 119.950 0.023 0.000 2.347 292 F HA 0.542 5.069 4.527 -0.000 0.000 0.366 292 F C 0.005 175.830 175.800 0.041 0.000 1.107 292 F CA -1.017 57.040 58.000 0.094 0.000 1.058 292 F CB 1.065 40.174 39.000 0.182 0.000 1.236 292 F HN -0.088 nan 8.300 nan 0.000 0.456 293 V N 0.907 120.789 119.914 -0.054 0.000 3.141 293 V HA 0.749 4.869 4.120 -0.000 0.000 0.312 293 V C -2.851 172.902 176.094 -0.568 0.000 1.157 293 V CA -3.359 58.589 62.300 -0.588 0.000 1.041 293 V CB 1.955 33.574 31.823 -0.340 0.000 1.071 293 V HN 0.258 nan 8.190 nan 0.000 0.441 294 P HA 0.154 nan 4.420 nan 0.000 0.266 294 P C -0.543 176.650 177.300 -0.178 0.000 1.180 294 P CA 0.449 63.314 63.100 -0.391 0.000 0.765 294 P CB 0.301 31.686 31.700 -0.525 0.000 0.806 295 V N 1.168 121.083 119.914 0.002 0.000 2.555 295 V HA 0.428 4.548 4.120 -0.000 0.000 0.302 295 V C 0.028 176.162 176.094 0.066 0.000 1.038 295 V CA -0.780 61.511 62.300 -0.014 0.000 0.887 295 V CB 1.803 33.633 31.823 0.012 0.000 0.991 295 V HN 0.221 nan 8.190 nan 0.000 0.434 296 I N 5.021 125.563 120.570 -0.046 0.000 2.278 296 I HA 0.175 4.345 4.170 -0.000 0.000 0.300 296 I C 0.937 177.051 176.117 -0.004 0.000 1.174 296 I CA 0.183 61.492 61.300 0.016 0.000 1.347 296 I CB -0.113 37.813 38.000 -0.123 0.000 1.473 296 I HN 0.958 nan 8.210 nan 0.000 0.595 297 D N 3.488 123.928 120.400 0.066 0.000 2.305 297 D HA 0.005 4.645 4.640 -0.000 0.000 0.206 297 D C 1.455 177.723 176.300 -0.054 0.000 0.974 297 D CA 0.977 54.896 54.000 -0.135 0.000 0.871 297 D CB 0.280 41.089 40.800 0.015 0.000 0.947 297 D HN 0.645 nan 8.370 nan 0.000 0.516 298 G N 0.072 108.922 108.800 0.084 0.000 2.157 298 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.239 298 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.239 298 G C 0.690 175.655 174.900 0.109 0.000 0.982 298 G CA 0.467 45.624 45.100 0.095 0.000 0.650 298 G HN 0.468 nan 8.290 nan 0.000 0.527 299 E N -1.561 118.711 120.200 0.121 0.000 3.312 299 E HA 0.340 4.690 4.350 -0.000 0.000 0.178 299 E C 1.700 178.319 176.600 0.032 0.000 1.204 299 E CA -0.252 56.200 56.400 0.086 0.000 1.335 299 E CB -0.033 29.738 29.700 0.120 0.000 1.680 299 E HN 0.195 nan 8.360 nan 0.000 0.503 300 F N 1.060 120.910 119.950 -0.167 0.000 2.171 300 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 300 F C 0.165 175.610 175.800 -0.592 0.000 1.090 300 F CA 1.080 58.835 58.000 -0.408 0.000 1.293 300 F CB 0.338 38.986 39.000 -0.587 0.000 1.013 300 F HN -0.132 nan 8.300 nan 0.000 0.486 301 F N 1.598 121.703 119.950 0.259 0.000 2.382 301 F HA 0.352 4.879 4.527 -0.000 0.000 0.361 301 F C -1.468 174.377 175.800 0.075 0.000 1.109 301 F CA -3.071 55.018 58.000 0.149 0.000 1.031 301 F CB 0.551 39.619 39.000 0.113 0.000 1.234 301 F HN -0.254 nan 8.300 nan 0.000 0.445 302 P HA -0.110 nan 4.420 nan 0.000 0.215 302 P C 0.485 177.848 177.300 0.106 0.000 1.157 302 P CA 1.684 64.847 63.100 0.105 0.000 0.868 302 P CB 0.196 31.934 31.700 0.062 0.000 0.788 303 T N -4.222 110.402 114.554 0.117 0.000 2.693 303 T HA 0.442 4.792 4.350 -0.000 0.000 0.278 303 T C -0.027 174.717 174.700 0.074 0.000 0.994 303 T CA -0.594 61.553 62.100 0.079 0.000 1.033 303 T CB 0.831 69.731 68.868 0.054 0.000 1.342 303 T HN 0.117 nan 8.240 nan 0.000 0.538 304 S N 0.085 115.805 115.700 0.034 0.000 2.563 304 S HA 0.135 4.605 4.470 -0.000 0.000 0.284 304 S C 1.493 176.100 174.600 0.012 0.000 1.331 304 S CA -0.738 57.461 58.200 -0.002 0.000 1.047 304 S CB -0.398 62.798 63.200 -0.006 0.000 0.859 304 S HN 0.644 nan 8.310 nan 0.000 0.514 305 L N 0.676 121.870 121.223 -0.048 0.000 2.012 305 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 305 L C 2.952 179.863 176.870 0.068 0.000 1.073 305 L CA 2.021 56.848 54.840 -0.022 0.000 0.748 305 L CB -0.796 41.182 42.059 -0.135 0.000 0.891 305 L HN 0.790 nan 8.230 nan 0.000 0.431 306 E N 0.577 120.812 120.200 0.059 0.000 2.118 306 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 306 E C 2.261 178.931 176.600 0.117 0.000 0.992 306 E CA 1.771 58.241 56.400 0.117 0.000 0.804 306 E CB -0.102 29.650 29.700 0.086 0.000 0.741 306 E HN 0.506 nan 8.360 nan 0.000 0.458 307 S N -0.704 115.044 115.700 0.081 0.000 2.395 307 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 307 S C 2.142 176.788 174.600 0.076 0.000 1.027 307 S CA 1.053 59.295 58.200 0.070 0.000 0.965 307 S CB -0.341 62.886 63.200 0.045 0.000 0.812 307 S HN 0.239 nan 8.310 nan 0.000 0.482 308 M N 1.033 120.694 119.600 0.102 0.000 2.117 308 M HA 0.039 4.519 4.480 -0.000 0.000 0.262 308 M C 2.189 178.607 176.300 0.197 0.000 1.065 308 M CA 1.416 56.791 55.300 0.125 0.000 1.114 308 M CB -0.663 32.053 32.600 0.194 0.000 1.361 308 M HN 0.303 nan 8.290 nan 0.000 0.408 309 L N -0.090 121.293 121.223 0.267 0.000 2.141 309 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 309 L C 2.113 179.153 176.870 0.284 0.000 1.094 309 L CA 0.769 55.835 54.840 0.376 0.000 0.763 309 L CB -0.718 41.486 42.059 0.241 0.000 0.908 309 L HN 0.356 nan 8.230 nan 0.000 0.437 310 N N -0.348 118.458 118.700 0.177 0.000 2.270 310 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 310 N C 1.962 177.546 175.510 0.124 0.000 1.016 310 N CA 1.591 54.742 53.050 0.167 0.000 0.870 310 N CB -0.087 38.475 38.487 0.125 0.000 0.979 310 N HN 0.323 nan 8.380 nan 0.000 0.431 311 S N -1.084 114.603 115.700 -0.022 0.000 2.562 311 S HA 0.222 4.692 4.470 -0.000 0.000 0.221 311 S C 1.445 175.663 174.600 -0.638 0.000 0.975 311 S CA 0.476 58.575 58.200 -0.168 0.000 0.918 311 S CB 0.132 63.253 63.200 -0.131 0.000 0.772 311 S HN 0.384 nan 8.310 nan 0.000 0.531 312 G N 2.043 110.234 108.800 -1.014 0.000 2.143 312 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 312 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 312 G C 0.017 173.925 174.900 -1.655 0.000 0.991 312 G CA 0.059 43.799 45.100 -2.266 0.000 0.689 312 G HN 0.615 nan 8.290 nan 0.000 0.522 313 N N 0.770 118.968 118.700 -0.837 0.000 2.819 313 N HA 0.489 5.229 4.740 -0.000 0.000 0.284 313 N C -0.123 175.281 175.510 -0.178 0.000 1.196 313 N CA 0.093 52.892 53.050 -0.418 0.000 1.114 313 N CB -0.942 37.444 38.487 -0.167 0.000 1.437 313 N HN 0.817 nan 8.380 nan 0.000 0.518 314 F N -1.073 118.819 119.950 -0.098 0.000 2.842 314 F HA 0.359 4.886 4.527 -0.000 0.000 0.319 314 F C -0.504 175.312 175.800 0.026 0.000 1.159 314 F CA -1.527 56.486 58.000 0.022 0.000 0.902 314 F CB 0.440 39.512 39.000 0.121 0.000 1.311 314 F HN -0.071 nan 8.300 nan 0.000 0.453 315 K N 1.624 122.309 120.400 0.476 0.000 2.447 315 K HA 0.200 4.520 4.320 -0.000 0.000 0.281 315 K C -1.000 175.874 176.600 0.457 0.000 1.031 315 K CA -0.070 56.404 56.287 0.312 0.000 1.019 315 K CB 0.442 33.057 32.500 0.191 0.000 0.918 315 K HN 0.650 nan 8.250 nan 0.000 0.476 316 K N 2.947 123.484 120.400 0.229 0.000 2.268 316 K HA 0.183 4.503 4.320 -0.000 0.000 0.276 316 K C -0.300 176.417 176.600 0.195 0.000 1.080 316 K CA -0.197 56.210 56.287 0.201 0.000 0.910 316 K CB 1.764 34.299 32.500 0.060 0.000 1.163 316 K HN 0.681 nan 8.250 nan 0.000 0.465 317 T N 1.270 116.016 114.554 0.321 0.000 2.606 317 T HA 0.324 4.674 4.350 -0.000 0.000 0.289 317 T C -1.317 173.580 174.700 0.328 0.000 1.113 317 T CA -0.618 61.627 62.100 0.243 0.000 1.106 317 T CB 0.607 69.583 68.868 0.181 0.000 1.611 317 T HN 0.385 nan 8.240 nan 0.000 0.471 318 Q N 0.755 120.731 119.800 0.294 0.000 2.214 318 Q HA 0.779 5.119 4.340 -0.000 0.000 0.251 318 Q C -0.464 175.825 176.000 0.482 0.000 0.936 318 Q CA -0.517 55.519 55.803 0.389 0.000 0.894 318 Q CB 1.549 30.518 28.738 0.384 0.000 1.252 318 Q HN 0.678 nan 8.270 nan 0.000 0.448 319 I N -1.715 119.066 120.570 0.352 0.000 2.894 319 I HA 0.691 4.861 4.170 -0.000 0.000 0.302 319 I C -1.619 174.340 176.117 -0.264 0.000 1.188 319 I CA -1.353 59.982 61.300 0.059 0.000 1.014 319 I CB 1.879 39.787 38.000 -0.153 0.000 1.242 319 I HN 0.532 nan 8.210 nan 0.000 0.430 320 L N 6.531 127.378 121.223 -0.626 0.000 2.406 320 L HA 0.798 5.138 4.340 -0.000 0.000 0.272 320 L C -1.297 175.363 176.870 -0.350 0.000 0.980 320 L CA -0.469 53.944 54.840 -0.712 0.000 0.831 320 L CB 1.632 42.751 42.059 -1.566 0.000 1.253 320 L HN 0.838 nan 8.230 nan 0.000 0.406 321 L N 2.416 123.565 121.223 -0.124 0.000 2.600 321 L HA 1.122 5.462 4.340 -0.000 0.000 0.257 321 L C -0.755 175.884 176.870 -0.385 0.000 1.048 321 L CA -0.409 54.356 54.840 -0.125 0.000 0.869 321 L CB 1.929 43.915 42.059 -0.121 0.000 1.482 321 L HN 0.667 nan 8.230 nan 0.000 0.408 322 G N -0.183 108.196 108.800 -0.702 0.000 2.342 322 G HA2 0.564 4.524 3.960 -0.000 0.000 0.297 322 G HA3 0.564 4.524 3.960 -0.000 0.000 0.297 322 G C -1.547 173.021 174.900 -0.554 0.000 1.313 322 G CA 0.013 44.423 45.100 -1.151 0.000 0.830 322 G HN 1.485 nan 8.290 nan 0.000 0.506 323 V N -2.534 117.234 119.914 -0.244 0.000 3.160 323 V HA 0.886 5.006 4.120 -0.000 0.000 0.310 323 V C -0.932 175.278 176.094 0.192 0.000 1.181 323 V CA -1.436 60.915 62.300 0.085 0.000 1.047 323 V CB 1.928 33.836 31.823 0.141 0.000 1.068 323 V HN 0.685 nan 8.190 nan 0.000 0.441 324 N N 0.644 119.450 118.700 0.176 0.000 2.472 324 N HA 0.444 5.184 4.740 -0.000 0.000 0.289 324 N C 0.557 176.024 175.510 -0.071 0.000 1.156 324 N CA -0.504 52.613 53.050 0.111 0.000 0.940 324 N CB 1.830 40.468 38.487 0.252 0.000 1.200 324 N HN 0.936 nan 8.380 nan 0.000 0.511 325 K N 0.184 120.405 120.400 -0.298 0.000 2.063 325 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 325 K C -0.570 176.112 176.600 0.136 0.000 1.048 325 K CA 1.400 57.616 56.287 -0.118 0.000 0.928 325 K CB 0.171 32.604 32.500 -0.113 0.000 0.713 325 K HN 0.531 nan 8.250 nan 0.000 0.442 326 D N 1.239 121.704 120.400 0.108 0.000 2.683 326 D HA 0.025 4.665 4.640 -0.000 0.000 0.309 326 D C 0.054 176.447 176.300 0.155 0.000 1.238 326 D CA -0.083 53.994 54.000 0.129 0.000 0.936 326 D CB 1.225 42.068 40.800 0.071 0.000 1.001 326 D HN 0.188 nan 8.370 nan 0.000 0.505 327 E N 0.438 120.757 120.200 0.199 0.000 2.267 327 E HA -0.117 4.232 4.350 -0.000 0.000 0.197 327 E C 1.883 178.609 176.600 0.209 0.000 0.998 327 E CA 0.573 57.124 56.400 0.251 0.000 0.830 327 E CB 0.136 29.971 29.700 0.225 0.000 0.751 327 E HN 0.440 nan 8.360 nan 0.000 0.491 328 G N 0.704 109.599 108.800 0.158 0.000 2.986 328 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.213 328 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.213 328 G C 1.619 176.604 174.900 0.143 0.000 1.156 328 G CA 0.571 45.769 45.100 0.163 0.000 0.763 328 G HN 0.327 nan 8.290 nan 0.000 0.547 329 S N 0.488 116.230 115.700 0.070 0.000 2.382 329 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 329 S C 2.019 176.543 174.600 -0.127 0.000 1.027 329 S CA 0.634 58.818 58.200 -0.026 0.000 0.991 329 S CB -0.483 62.611 63.200 -0.175 0.000 0.823 329 S HN 0.092 nan 8.310 nan 0.000 0.469 330 F N 2.231 121.972 119.950 -0.348 0.000 2.065 330 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 330 F C 1.881 177.359 175.800 -0.536 0.000 1.112 330 F CA 0.628 58.273 58.000 -0.590 0.000 1.212 330 F CB -0.972 37.497 39.000 -0.885 0.000 0.975 330 F HN 0.195 nan 8.300 nan 0.000 0.476 331 F N -0.706 119.264 119.950 0.034 0.000 2.325 331 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 331 F C 2.308 178.081 175.800 -0.045 0.000 1.090 331 F CA 0.601 58.571 58.000 -0.049 0.000 1.392 331 F CB -1.041 37.861 39.000 -0.162 0.000 1.053 331 F HN -0.090 nan 8.300 nan 0.000 0.521 332 L N -0.528 120.664 121.223 -0.053 0.000 2.056 332 L HA -0.192 4.147 4.340 -0.000 0.000 0.207 332 L C 2.460 179.148 176.870 -0.304 0.000 1.078 332 L CA 0.780 55.359 54.840 -0.435 0.000 0.749 332 L CB -0.590 40.811 42.059 -1.096 0.000 0.901 332 L HN 0.197 nan 8.230 nan 0.000 0.433 333 L N -1.451 119.772 121.223 -0.000 0.000 2.191 333 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 333 L C 2.117 179.159 176.870 0.288 0.000 1.103 333 L CA 1.858 56.876 54.840 0.296 0.000 0.769 333 L CB -0.451 41.820 42.059 0.353 0.000 0.908 333 L HN 0.116 nan 8.230 nan 0.000 0.438 334 Y N -1.198 119.170 120.300 0.112 0.000 2.389 334 Y HA 0.271 4.821 4.550 -0.000 0.000 0.292 334 Y C 2.341 178.260 175.900 0.032 0.000 1.117 334 Y CA 0.934 59.082 58.100 0.079 0.000 1.195 334 Y CB -0.314 38.152 38.460 0.011 0.000 1.076 334 Y HN 0.161 nan 8.280 nan 0.000 0.548 335 G N -1.290 107.615 108.800 0.175 0.000 3.192 335 G HA2 0.462 4.422 3.960 -0.000 0.000 0.239 335 G HA3 0.462 4.422 3.960 -0.000 0.000 0.239 335 G C 0.024 174.982 174.900 0.097 0.000 1.084 335 G CA 0.472 45.629 45.100 0.094 0.000 0.784 335 G HN 0.279 nan 8.290 nan 0.000 0.540 336 A N 1.130 124.043 122.820 0.155 0.000 2.355 336 A HA 0.814 5.134 4.320 -0.000 0.000 0.324 336 A C -2.603 175.188 177.584 0.344 0.000 1.117 336 A CA -1.624 50.559 52.037 0.243 0.000 0.785 336 A CB 1.459 20.637 19.000 0.296 0.000 1.254 336 A HN 0.041 nan 8.150 nan 0.000 0.453 337 P HA 0.216 nan 4.420 nan 0.000 0.267 337 P C 0.806 178.092 177.300 -0.023 0.000 1.205 337 P CA 1.574 64.726 63.100 0.086 0.000 0.765 337 P CB 0.839 32.560 31.700 0.035 0.000 0.828 338 G N 1.667 110.424 108.800 -0.071 0.000 2.159 338 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.256 338 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.256 338 G C -0.282 174.385 174.900 -0.389 0.000 0.977 338 G CA -0.426 44.533 45.100 -0.235 0.000 0.652 338 G HN 0.423 nan 8.290 nan 0.000 0.531 339 F N 1.288 121.216 119.950 -0.036 0.000 2.422 339 F HA 0.748 5.275 4.527 -0.000 0.000 0.333 339 F C 0.697 176.542 175.800 0.076 0.000 1.095 339 F CA -0.406 57.572 58.000 -0.036 0.000 1.038 339 F CB 2.328 41.376 39.000 0.079 0.000 1.156 339 F HN 0.042 nan 8.300 nan 0.000 0.483 340 S N 1.141 117.026 115.700 0.308 0.000 2.537 340 S HA 0.231 4.701 4.470 -0.000 0.000 0.270 340 S C 0.417 175.270 174.600 0.422 0.000 1.142 340 S CA -1.125 57.254 58.200 0.298 0.000 0.870 340 S CB 2.117 65.404 63.200 0.145 0.000 1.112 340 S HN 0.720 nan 8.310 nan 0.000 0.466 341 K N 0.847 121.413 120.400 0.277 0.000 2.288 341 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 341 K C 0.067 176.706 176.600 0.064 0.000 1.048 341 K CA 1.430 57.783 56.287 0.109 0.000 0.956 341 K CB 0.065 32.365 32.500 -0.334 0.000 0.746 341 K HN 0.515 nan 8.250 nan 0.000 0.461 342 D N -0.074 120.372 120.400 0.077 0.000 2.388 342 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 342 D C 0.665 177.015 176.300 0.084 0.000 1.035 342 D CA 0.206 54.230 54.000 0.040 0.000 0.875 342 D CB 0.603 41.400 40.800 -0.004 0.000 0.984 342 D HN 0.117 nan 8.370 nan 0.000 0.508 343 S N 0.005 115.772 115.700 0.112 0.000 2.722 343 S HA 0.160 4.630 4.470 -0.000 0.000 0.292 343 S C 0.927 175.566 174.600 0.066 0.000 1.135 343 S CA -0.523 57.711 58.200 0.056 0.000 1.003 343 S CB 2.575 65.769 63.200 -0.010 0.000 1.067 343 S HN -0.102 nan 8.310 nan 0.000 0.546 344 E N 0.718 120.903 120.200 -0.024 0.000 2.409 344 E HA 0.000 4.350 4.350 -0.000 0.000 0.198 344 E C -0.289 176.035 176.600 -0.461 0.000 1.024 344 E CA 0.537 56.888 56.400 -0.081 0.000 0.861 344 E CB -0.143 29.529 29.700 -0.048 0.000 0.788 344 E HN 0.748 nan 8.360 nan 0.000 0.521 345 S N 0.641 116.064 115.700 -0.462 0.000 3.783 345 S HA -0.163 4.307 4.470 -0.000 0.000 0.360 345 S C -0.413 173.831 174.600 -0.592 0.000 1.006 345 S CA 0.621 58.430 58.200 -0.651 0.000 1.115 345 S CB -1.115 61.373 63.200 -1.188 0.000 0.893 345 S HN 0.287 nan 8.310 nan 0.000 0.475 346 K N 0.901 121.080 120.400 -0.369 0.000 2.401 346 K HA 0.281 4.601 4.320 -0.000 0.000 0.278 346 K C 0.304 176.708 176.600 -0.326 0.000 1.018 346 K CA 0.033 56.150 56.287 -0.285 0.000 0.981 346 K CB 0.380 32.773 32.500 -0.179 0.000 0.933 346 K HN 0.215 nan 8.250 nan 0.000 0.477 347 I N 2.575 122.968 120.570 -0.296 0.000 2.378 347 I HA 0.075 4.245 4.170 -0.000 0.000 0.291 347 I C 0.792 176.827 176.117 -0.136 0.000 0.992 347 I CA -0.415 60.720 61.300 -0.274 0.000 1.154 347 I CB 1.199 39.032 38.000 -0.278 0.000 1.315 347 I HN 0.685 nan 8.210 nan 0.000 0.448 348 S N 5.951 121.587 115.700 -0.107 0.000 2.624 348 S HA 0.279 4.749 4.470 -0.000 0.000 0.263 348 S C 1.134 175.734 174.600 -0.001 0.000 1.287 348 S CA -0.349 57.815 58.200 -0.060 0.000 0.990 348 S CB 1.590 64.760 63.200 -0.050 0.000 0.950 348 S HN 0.641 nan 8.310 nan 0.000 0.561 349 R N 0.622 121.123 120.500 0.002 0.000 2.120 349 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 349 R C 2.218 178.584 176.300 0.110 0.000 1.123 349 R CA 2.044 58.176 56.100 0.053 0.000 0.975 349 R CB -0.717 29.589 30.300 0.010 0.000 0.866 349 R HN 0.928 nan 8.270 nan 0.000 0.446 350 E N -0.163 120.072 120.200 0.059 0.000 2.031 350 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 350 E C 1.028 177.658 176.600 0.051 0.000 0.994 350 E CA 1.670 58.101 56.400 0.051 0.000 0.800 350 E CB -0.053 29.661 29.700 0.023 0.000 0.752 350 E HN 0.342 nan 8.360 nan 0.000 0.447 351 D N 0.041 120.459 120.400 0.030 0.000 2.117 351 D HA -0.169 4.470 4.640 -0.000 0.000 0.197 351 D C 1.691 178.018 176.300 0.045 0.000 0.987 351 D CA 0.744 54.752 54.000 0.013 0.000 0.829 351 D CB -0.484 40.285 40.800 -0.052 0.000 0.961 351 D HN 0.199 nan 8.370 nan 0.000 0.460 352 F N 1.445 121.373 119.950 -0.036 0.000 2.065 352 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 352 F C 2.280 178.090 175.800 0.016 0.000 1.112 352 F CA 1.481 59.474 58.000 -0.011 0.000 1.212 352 F CB -0.197 38.779 39.000 -0.041 0.000 0.975 352 F HN -0.169 nan 8.300 nan 0.000 0.476 353 M N 0.300 119.939 119.600 0.066 0.000 2.080 353 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 353 M C 2.510 178.763 176.300 -0.078 0.000 1.068 353 M CA 2.097 57.394 55.300 -0.006 0.000 1.109 353 M CB -1.688 30.972 32.600 0.100 0.000 1.342 353 M HN 0.418 nan 8.290 nan 0.000 0.405 354 S N -0.325 115.353 115.700 -0.037 0.000 2.428 354 S HA -0.014 4.456 4.470 -0.000 0.000 0.230 354 S C 2.044 176.612 174.600 -0.054 0.000 1.014 354 S CA 1.021 59.203 58.200 -0.030 0.000 0.957 354 S CB -1.130 62.069 63.200 -0.002 0.000 0.784 354 S HN 0.530 nan 8.310 nan 0.000 0.499 355 G N 1.769 110.516 108.800 -0.089 0.000 2.408 355 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 355 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 355 G C 1.551 176.349 174.900 -0.171 0.000 1.150 355 G CA 1.000 46.048 45.100 -0.087 0.000 0.776 355 G HN 0.788 nan 8.290 nan 0.000 0.542 356 V N -0.040 119.702 119.914 -0.287 0.000 2.591 356 V HA 0.117 4.237 4.120 -0.000 0.000 0.249 356 V C 2.481 178.516 176.094 -0.097 0.000 1.053 356 V CA 2.360 64.527 62.300 -0.221 0.000 1.068 356 V CB -0.295 31.363 31.823 -0.274 0.000 0.689 356 V HN 0.256 nan 8.190 nan 0.000 0.462 357 K N 0.331 120.685 120.400 -0.077 0.000 2.152 357 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 357 K C 1.732 178.314 176.600 -0.031 0.000 1.048 357 K CA 2.052 58.314 56.287 -0.041 0.000 0.933 357 K CB -0.657 31.828 32.500 -0.027 0.000 0.721 357 K HN 0.496 nan 8.250 nan 0.000 0.447 358 L N 0.177 121.380 121.223 -0.034 0.000 2.418 358 L HA 0.128 4.468 4.340 -0.000 0.000 0.218 358 L C 1.525 178.386 176.870 -0.015 0.000 1.125 358 L CA 1.187 56.016 54.840 -0.019 0.000 0.835 358 L CB -0.103 41.950 42.059 -0.010 0.000 0.953 358 L HN 0.098 nan 8.230 nan 0.000 0.454 359 S N -2.011 113.677 115.700 -0.021 0.000 2.503 359 S HA 0.167 4.637 4.470 -0.000 0.000 0.215 359 S C 0.818 175.439 174.600 0.035 0.000 1.003 359 S CA 0.028 58.227 58.200 -0.002 0.000 0.910 359 S CB 0.647 63.831 63.200 -0.027 0.000 0.790 359 S HN 0.074 nan 8.310 nan 0.000 0.514 360 V N 3.624 123.544 119.914 0.009 0.000 2.454 360 V HA 0.211 4.331 4.120 -0.000 0.000 0.255 360 V C -1.752 174.346 176.094 0.007 0.000 1.009 360 V CA -1.400 60.895 62.300 -0.010 0.000 1.149 360 V CB 0.705 32.476 31.823 -0.087 0.000 1.418 360 V HN 0.169 nan 8.190 nan 0.000 0.567 361 P HA -0.223 nan 4.420 nan 0.000 0.219 361 P C 0.967 178.329 177.300 0.104 0.000 1.144 361 P CA 1.744 64.895 63.100 0.086 0.000 0.806 361 P CB 0.046 31.793 31.700 0.078 0.000 0.771 362 H N -1.701 117.369 119.070 -0.000 0.000 2.586 362 H HA 0.562 5.118 4.556 -0.000 0.000 0.273 362 H C 0.414 175.736 175.328 -0.011 0.000 0.997 362 H CA -0.333 55.711 56.048 -0.006 0.000 1.177 362 H CB -0.304 29.459 29.762 0.002 0.000 1.471 362 H HN -0.018 nan 8.280 nan 0.000 0.538 363 A N 1.885 124.465 122.820 -0.400 0.000 2.293 363 A HA 0.388 4.708 4.320 -0.000 0.000 0.302 363 A C 0.222 177.717 177.584 -0.148 0.000 1.119 363 A CA -0.458 51.379 52.037 -0.334 0.000 0.823 363 A CB 0.666 19.462 19.000 -0.341 0.000 1.097 363 A HN 0.646 nan 8.150 nan 0.000 0.491 364 N N -0.060 118.571 118.700 -0.116 0.000 2.476 364 N HA 0.222 4.962 4.740 -0.000 0.000 0.287 364 N C 0.354 175.836 175.510 -0.047 0.000 1.262 364 N CA 0.074 53.085 53.050 -0.065 0.000 0.980 364 N CB -0.047 38.407 38.487 -0.054 0.000 1.163 364 N HN 0.317 nan 8.380 nan 0.000 0.592 365 D N -1.165 119.220 120.400 -0.024 0.000 2.116 365 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 365 D C 1.817 178.120 176.300 0.004 0.000 0.998 365 D CA 1.389 55.385 54.000 -0.005 0.000 0.836 365 D CB -0.365 40.436 40.800 0.002 0.000 0.951 365 D HN 0.482 nan 8.370 nan 0.000 0.449 366 L N 0.827 122.047 121.223 -0.005 0.000 2.017 366 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 366 L C 2.635 179.511 176.870 0.010 0.000 1.073 366 L CA 2.310 57.155 54.840 0.007 0.000 0.745 366 L CB -1.186 40.867 42.059 -0.010 0.000 0.894 366 L HN 0.202 nan 8.230 nan 0.000 0.432 367 G N -0.436 108.342 108.800 -0.036 0.000 2.459 367 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 367 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 367 G C 1.595 176.496 174.900 0.002 0.000 1.183 367 G CA 1.164 46.229 45.100 -0.058 0.000 0.776 367 G HN 0.442 nan 8.290 nan 0.000 0.552 368 L N 0.409 121.630 121.223 -0.003 0.000 2.042 368 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 368 L C 2.506 179.425 176.870 0.083 0.000 1.076 368 L CA 1.254 56.111 54.840 0.028 0.000 0.749 368 L CB -0.453 41.612 42.059 0.011 0.000 0.893 368 L HN 0.099 nan 8.230 nan 0.000 0.432 369 D N 0.180 120.633 120.400 0.088 0.000 2.144 369 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 369 D C 2.234 178.631 176.300 0.160 0.000 0.984 369 D CA 1.457 55.531 54.000 0.124 0.000 0.834 369 D CB 0.027 40.888 40.800 0.100 0.000 0.955 369 D HN 0.317 nan 8.370 nan 0.000 0.465 370 A N 0.478 123.406 122.820 0.179 0.000 1.877 370 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 370 A C 2.542 180.274 177.584 0.247 0.000 1.186 370 A CA 1.227 53.434 52.037 0.283 0.000 0.620 370 A CB -0.750 18.496 19.000 0.411 0.000 0.822 370 A HN 0.138 nan 8.150 nan 0.000 0.443 371 V N -0.239 119.832 119.914 0.262 0.000 2.261 371 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 371 V C 2.768 178.997 176.094 0.225 0.000 1.047 371 V CA 2.521 64.952 62.300 0.218 0.000 1.015 371 V CB -1.343 30.595 31.823 0.193 0.000 0.642 371 V HN 0.612 nan 8.190 nan 0.000 0.446 372 T N 0.759 115.442 114.554 0.216 0.000 2.635 372 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 372 T C 1.899 176.766 174.700 0.278 0.000 1.040 372 T CA 2.135 64.416 62.100 0.301 0.000 1.156 372 T CB -0.456 68.585 68.868 0.289 0.000 0.863 372 T HN 0.321 nan 8.240 nan 0.000 0.430 373 L N 1.137 122.498 121.223 0.230 0.000 2.131 373 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 373 L C 2.371 179.269 176.870 0.045 0.000 1.092 373 L CA 1.755 56.734 54.840 0.231 0.000 0.759 373 L CB -0.786 41.391 42.059 0.196 0.000 0.903 373 L HN 0.152 nan 8.230 nan 0.000 0.435 374 Q N -1.419 118.312 119.800 -0.113 0.000 2.230 374 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 374 Q C 0.747 176.508 176.000 -0.399 0.000 0.963 374 Q CA 1.600 57.150 55.803 -0.422 0.000 0.866 374 Q CB -0.110 28.009 28.738 -1.033 0.000 0.931 374 Q HN 0.692 nan 8.270 nan 0.000 0.452 375 Y N -1.038 119.222 120.300 -0.067 0.000 2.660 375 Y HA 0.360 4.910 4.550 -0.000 0.000 0.254 375 Y C -0.384 175.457 175.900 -0.097 0.000 1.176 375 Y CA -0.397 57.710 58.100 0.012 0.000 1.195 375 Y CB 1.097 39.675 38.460 0.196 0.000 1.190 375 Y HN -0.182 nan 8.280 nan 0.000 0.535 376 T N 0.562 115.035 114.554 -0.135 0.000 2.797 376 T HA 0.115 4.465 4.350 -0.000 0.000 0.279 376 T C -0.958 173.432 174.700 -0.517 0.000 0.991 376 T CA -0.679 61.108 62.100 -0.522 0.000 0.979 376 T CB 1.235 69.579 68.868 -0.873 0.000 0.943 376 T HN 0.001 nan 8.240 nan 0.000 0.444 377 D N 1.703 121.829 120.400 -0.457 0.000 2.339 377 D HA 0.118 4.758 4.640 -0.000 0.000 0.241 377 D C 0.008 176.115 176.300 -0.321 0.000 1.183 377 D CA -0.697 53.142 54.000 -0.268 0.000 0.859 377 D CB 0.521 41.215 40.800 -0.178 0.000 1.067 377 D HN 0.619 nan 8.370 nan 0.000 0.484 378 W N 3.368 124.631 121.300 -0.062 0.000 2.961 378 W HA 0.004 4.664 4.660 -0.000 0.000 0.240 378 W C 1.895 178.387 176.519 -0.045 0.000 1.305 378 W CA -0.080 57.233 57.345 -0.053 0.000 1.465 378 W CB 0.122 29.556 29.460 -0.042 0.000 1.135 378 W HN 0.425 nan 8.180 nan 0.000 0.688 379 M N -1.362 118.313 119.600 0.126 0.000 2.476 379 M HA 0.075 4.555 4.480 -0.000 0.000 0.262 379 M C 0.135 176.451 176.300 0.027 0.000 1.111 379 M CA 1.229 56.575 55.300 0.076 0.000 1.127 379 M CB -0.011 32.611 32.600 0.037 0.000 1.376 379 M HN -0.207 nan 8.290 nan 0.000 0.465 380 D N 0.988 121.367 120.400 -0.035 0.000 2.945 380 D HA 0.045 4.685 4.640 -0.000 0.000 0.340 380 D C 0.268 176.468 176.300 -0.166 0.000 1.240 380 D CA -0.032 53.924 54.000 -0.074 0.000 0.749 380 D CB 0.285 41.044 40.800 -0.069 0.000 1.217 380 D HN 0.176 nan 8.370 nan 0.000 0.514 381 D N -0.687 119.595 120.400 -0.196 0.000 2.310 381 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 381 D C 0.358 176.494 176.300 -0.273 0.000 0.965 381 D CA 0.318 54.098 54.000 -0.367 0.000 0.879 381 D CB 0.107 40.622 40.800 -0.475 0.000 0.921 381 D HN 0.186 nan 8.370 nan 0.000 0.510 382 N N 0.477 119.086 118.700 -0.153 0.000 2.321 382 N HA 0.007 4.747 4.740 -0.000 0.000 0.242 382 N C -0.479 174.963 175.510 -0.113 0.000 1.141 382 N CA -0.195 52.787 53.050 -0.115 0.000 0.864 382 N CB 0.173 38.625 38.487 -0.058 0.000 1.100 382 N HN 0.364 nan 8.380 nan 0.000 0.510 383 N N -0.175 118.441 118.700 -0.141 0.000 2.422 383 N HA 0.146 4.886 4.740 -0.000 0.000 0.264 383 N C 1.424 176.857 175.510 -0.127 0.000 1.063 383 N CA -0.325 52.656 53.050 -0.115 0.000 0.959 383 N CB 1.009 39.431 38.487 -0.108 0.000 1.087 383 N HN 0.021 nan 8.380 nan 0.000 0.483 384 G N 4.047 112.783 108.800 -0.107 0.000 2.422 384 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.218 384 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.218 384 G C 1.297 176.128 174.900 -0.115 0.000 1.146 384 G CA 0.548 45.576 45.100 -0.121 0.000 0.769 384 G HN 0.598 nan 8.290 nan 0.000 0.547 385 I N 0.903 121.422 120.570 -0.084 0.000 2.202 385 I HA -0.050 4.120 4.170 -0.000 0.000 0.242 385 I C 2.553 178.655 176.117 -0.025 0.000 1.091 385 I CA 1.099 62.371 61.300 -0.048 0.000 1.368 385 I CB -1.080 36.908 38.000 -0.020 0.000 1.058 385 I HN 0.176 nan 8.210 nan 0.000 0.410 386 K N 0.714 121.082 120.400 -0.054 0.000 2.152 386 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 386 K C 1.814 178.367 176.600 -0.078 0.000 1.048 386 K CA 1.247 57.497 56.287 -0.062 0.000 0.933 386 K CB -0.094 32.336 32.500 -0.117 0.000 0.721 386 K HN 0.310 nan 8.250 nan 0.000 0.447 387 N N 0.544 119.170 118.700 -0.123 0.000 2.270 387 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 387 N C 1.643 177.264 175.510 0.185 0.000 1.016 387 N CA 0.766 53.764 53.050 -0.088 0.000 0.870 387 N CB -0.088 38.323 38.487 -0.127 0.000 0.979 387 N HN 0.199 nan 8.380 nan 0.000 0.431 388 R N 1.166 121.712 120.500 0.076 0.000 2.070 388 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 388 R C 0.777 177.247 176.300 0.283 0.000 1.138 388 R CA 1.627 57.811 56.100 0.141 0.000 0.936 388 R CB -0.116 30.155 30.300 -0.048 0.000 0.839 388 R HN 0.011 nan 8.270 nan 0.000 0.429 389 D N -0.576 119.948 120.400 0.207 0.000 2.221 389 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 389 D C 1.628 178.073 176.300 0.243 0.000 0.982 389 D CA 1.443 55.579 54.000 0.226 0.000 0.857 389 D CB -0.402 40.500 40.800 0.170 0.000 0.934 389 D HN 0.555 nan 8.370 nan 0.000 0.475 390 G N -0.012 108.943 108.800 0.259 0.000 2.430 390 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 390 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 390 G C 1.472 176.548 174.900 0.294 0.000 1.146 390 G CA 0.016 45.318 45.100 0.337 0.000 0.793 390 G HN 0.171 nan 8.290 nan 0.000 0.537 391 L N 0.998 122.424 121.223 0.339 0.000 2.109 391 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 391 L C 2.243 179.179 176.870 0.110 0.000 1.086 391 L CA 1.512 56.456 54.840 0.173 0.000 0.760 391 L CB -0.458 41.775 42.059 0.291 0.000 0.910 391 L HN 0.185 nan 8.230 nan 0.000 0.437 392 D N -0.392 120.121 120.400 0.189 0.000 2.092 392 D HA -0.229 4.411 4.640 -0.000 0.000 0.193 392 D C 1.484 177.858 176.300 0.123 0.000 0.994 392 D CA 1.507 55.603 54.000 0.159 0.000 0.828 392 D CB 0.138 41.082 40.800 0.240 0.000 0.963 392 D HN 0.319 nan 8.370 nan 0.000 0.450 393 D N 0.228 120.722 120.400 0.157 0.000 2.144 393 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 393 D C 2.340 178.667 176.300 0.045 0.000 0.984 393 D CA 0.392 54.503 54.000 0.184 0.000 0.834 393 D CB -0.205 40.807 40.800 0.352 0.000 0.955 393 D HN 0.400 nan 8.370 nan 0.000 0.465 394 I N 0.482 120.936 120.570 -0.193 0.000 2.179 394 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 394 I C 2.469 178.505 176.117 -0.135 0.000 1.088 394 I CA 0.701 61.821 61.300 -0.300 0.000 1.357 394 I CB -0.157 37.646 38.000 -0.328 0.000 1.051 394 I HN -0.111 nan 8.210 nan 0.000 0.409 395 V N 0.861 120.723 119.914 -0.086 0.000 2.295 395 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 395 V C 2.547 178.574 176.094 -0.112 0.000 1.049 395 V CA 2.233 64.479 62.300 -0.089 0.000 1.024 395 V CB -1.387 30.406 31.823 -0.050 0.000 0.648 395 V HN 0.578 nan 8.190 nan 0.000 0.447 396 G N -0.479 108.301 108.800 -0.032 0.000 2.402 396 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 396 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 396 G C 1.241 176.123 174.900 -0.030 0.000 1.162 396 G CA 0.957 46.059 45.100 0.003 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.191 120.190 120.400 -0.031 0.000 2.097 397 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 397 D C 2.102 178.141 176.300 -0.434 0.000 0.984 397 D CA 1.259 55.212 54.000 -0.078 0.000 0.826 397 D CB -0.453 40.459 40.800 0.186 0.000 0.973 397 D HN 0.382 nan 8.370 nan 0.000 0.460 398 H N 1.047 119.561 119.070 -0.927 0.000 2.321 398 H HA 0.018 4.574 4.556 -0.000 0.000 0.300 398 H C 1.593 176.646 175.328 -0.459 0.000 1.087 398 H CA 1.720 57.085 56.048 -1.139 0.000 1.319 398 H CB -0.005 28.971 29.762 -1.311 0.000 1.379 398 H HN 0.014 nan 8.280 nan 0.000 0.501 399 N N -0.705 117.725 118.700 -0.451 0.000 2.336 399 N HA -0.036 4.704 4.740 -0.000 0.000 0.177 399 N C 1.556 177.071 175.510 0.008 0.000 1.018 399 N CA 1.253 54.156 53.050 -0.245 0.000 0.878 399 N CB 0.644 38.999 38.487 -0.219 0.000 0.997 399 N HN 0.247 nan 8.380 nan 0.000 0.433 400 V N 1.046 120.943 119.914 -0.028 0.000 3.097 400 V HA 0.127 4.247 4.120 -0.000 0.000 0.223 400 V C 2.198 178.309 176.094 0.028 0.000 1.199 400 V CA 0.068 62.408 62.300 0.067 0.000 1.260 400 V CB -0.110 31.788 31.823 0.124 0.000 1.155 400 V HN -0.021 nan 8.190 nan 0.000 0.509 401 I N 0.589 121.182 120.570 0.038 0.000 2.099 401 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 401 I C 2.591 178.734 176.117 0.043 0.000 1.066 401 I CA 1.957 63.289 61.300 0.054 0.000 1.324 401 I CB -0.594 37.468 38.000 0.103 0.000 1.037 401 I HN 0.383 nan 8.210 nan 0.000 0.401 402 c N 0.596 119.218 118.600 0.038 0.000 2.440 402 c HA -0.034 4.535 4.570 -0.000 0.000 0.278 402 c C 0.278 174.420 174.090 0.088 0.000 1.295 402 c CA 0.618 57.006 56.329 0.099 0.000 1.738 402 c CB -1.883 40.728 42.510 0.169 0.000 1.987 402 c HN 0.372 nan 8.230 nan 0.000 0.492 403 P HA -0.095 nan 4.420 nan 0.000 0.217 403 P C 1.757 179.098 177.300 0.068 0.000 1.150 403 P CA 1.062 64.165 63.100 0.005 0.000 0.832 403 P CB -0.192 31.426 31.700 -0.136 0.000 0.787 404 L N -1.779 119.457 121.223 0.023 0.000 2.093 404 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 404 L C 2.013 178.929 176.870 0.077 0.000 1.085 404 L CA 1.604 56.463 54.840 0.031 0.000 0.755 404 L CB -0.475 41.572 42.059 -0.020 0.000 0.904 404 L HN -0.095 nan 8.230 nan 0.000 0.435 405 M N -1.237 118.402 119.600 0.066 0.000 2.319 405 M HA -0.169 4.310 4.480 -0.000 0.000 0.265 405 M C 2.167 178.532 176.300 0.109 0.000 1.068 405 M CA 1.412 56.742 55.300 0.050 0.000 1.118 405 M CB -1.431 31.215 32.600 0.076 0.000 1.395 405 M HN 0.431 nan 8.290 nan 0.000 0.435 406 H N 0.078 119.197 119.070 0.081 0.000 2.326 406 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 406 H C 1.848 177.243 175.328 0.112 0.000 1.081 406 H CA 1.969 58.075 56.048 0.098 0.000 1.334 406 H CB -0.391 29.425 29.762 0.090 0.000 1.385 406 H HN 0.237 nan 8.280 nan 0.000 0.504 407 F N 0.026 119.908 119.950 -0.114 0.000 2.102 407 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 407 F C 2.468 178.182 175.800 -0.143 0.000 1.105 407 F CA 1.475 59.377 58.000 -0.164 0.000 1.239 407 F CB -0.911 38.006 39.000 -0.139 0.000 0.991 407 F HN 0.128 nan 8.300 nan 0.000 0.474 408 V N 1.257 121.099 119.914 -0.121 0.000 2.287 408 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 408 V C 2.283 178.232 176.094 -0.243 0.000 1.053 408 V CA 2.589 64.695 62.300 -0.323 0.000 1.027 408 V CB -0.644 30.914 31.823 -0.442 0.000 0.646 408 V HN 0.451 nan 8.190 nan 0.000 0.447 409 N N -0.177 118.464 118.700 -0.099 0.000 2.084 409 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 409 N C 1.856 177.359 175.510 -0.013 0.000 1.030 409 N CA 1.297 54.380 53.050 0.055 0.000 0.849 409 N CB -0.284 38.269 38.487 0.110 0.000 1.012 409 N HN 0.391 nan 8.380 nan 0.000 0.423 410 K N 0.672 120.994 120.400 -0.130 0.000 2.026 410 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 410 K C 2.003 178.629 176.600 0.044 0.000 1.048 410 K CA 0.841 57.090 56.287 -0.064 0.000 0.929 410 K CB -0.945 31.461 32.500 -0.157 0.000 0.713 410 K HN 0.318 nan 8.250 nan 0.000 0.439 411 Y N 2.201 122.313 120.300 -0.313 0.000 2.224 411 Y HA -0.211 4.339 4.550 -0.000 0.000 0.289 411 Y C 2.120 178.019 175.900 -0.001 0.000 1.146 411 Y CA 1.866 59.776 58.100 -0.318 0.000 1.182 411 Y CB -0.273 37.610 38.460 -0.962 0.000 0.983 411 Y HN 0.057 nan 8.280 nan 0.000 0.524 412 T N -0.783 113.804 114.554 0.054 0.000 2.915 412 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 412 T C 1.955 176.648 174.700 -0.011 0.000 1.071 412 T CA 1.373 63.525 62.100 0.087 0.000 1.132 412 T CB -0.205 68.800 68.868 0.228 0.000 0.878 412 T HN 0.124 nan 8.240 nan 0.000 0.479 413 K N 0.453 120.819 120.400 -0.058 0.000 2.211 413 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 413 K C 1.528 177.830 176.600 -0.495 0.000 1.047 413 K CA 1.018 57.136 56.287 -0.281 0.000 0.935 413 K CB -0.472 31.806 32.500 -0.371 0.000 0.728 413 K HN 0.665 nan 8.250 nan 0.000 0.452 414 F N -1.427 118.459 119.950 -0.105 0.000 2.789 414 F HA 0.347 4.874 4.527 -0.000 0.000 0.320 414 F C 1.625 177.312 175.800 -0.188 0.000 1.079 414 F CA -0.325 57.583 58.000 -0.153 0.000 1.205 414 F CB -0.116 38.746 39.000 -0.231 0.000 1.046 414 F HN 0.156 nan 8.300 nan 0.000 0.586 415 G N 0.124 108.841 108.800 -0.138 0.000 2.647 415 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.271 415 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.271 415 G C 0.460 175.391 174.900 0.052 0.000 1.300 415 G CA -0.208 44.813 45.100 -0.132 0.000 0.997 415 G HN 0.320 nan 8.290 nan 0.000 0.533 416 N N -0.532 118.251 118.700 0.138 0.000 2.234 416 N HA 0.279 5.019 4.740 -0.000 0.000 0.227 416 N C 0.291 175.877 175.510 0.127 0.000 1.151 416 N CA 0.459 53.575 53.050 0.109 0.000 0.865 416 N CB 0.384 38.932 38.487 0.102 0.000 1.066 416 N HN 0.866 nan 8.380 nan 0.000 0.515 417 G N 0.389 109.278 108.800 0.148 0.000 2.158 417 G HA2 0.038 3.998 3.960 -0.000 0.000 0.238 417 G HA3 0.038 3.998 3.960 -0.000 0.000 0.238 417 G C -1.345 173.604 174.900 0.082 0.000 1.723 417 G CA -0.701 44.456 45.100 0.094 0.000 0.911 417 G HN 0.002 nan 8.290 nan 0.000 0.741 418 T N 1.635 116.109 114.554 -0.132 0.000 2.848 418 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 418 T C -1.248 173.182 174.700 -0.449 0.000 0.995 418 T CA -0.312 61.709 62.100 -0.132 0.000 0.970 418 T CB 1.228 70.110 68.868 0.023 0.000 0.976 418 T HN 0.412 nan 8.240 nan 0.000 0.441 419 Y N 2.317 122.574 120.300 -0.071 0.000 2.326 419 Y HA 0.631 5.181 4.550 -0.000 0.000 0.331 419 Y C -0.427 175.565 175.900 0.153 0.000 0.962 419 Y CA -1.103 56.931 58.100 -0.110 0.000 1.167 419 Y CB 1.422 39.428 38.460 -0.757 0.000 1.148 419 Y HN 0.437 nan 8.280 nan 0.000 0.463 420 L N 6.049 127.625 121.223 0.589 0.000 2.329 420 L HA 0.637 4.977 4.340 -0.000 0.000 0.279 420 L C -1.266 176.022 176.870 0.697 0.000 1.014 420 L CA -0.977 54.126 54.840 0.437 0.000 0.814 420 L CB 0.755 42.920 42.059 0.177 0.000 1.257 420 L HN 0.518 nan 8.230 nan 0.000 0.424 421 Y N 3.152 123.725 120.300 0.455 0.000 2.576 421 Y HA 0.715 5.264 4.550 -0.000 0.000 0.346 421 Y C -1.863 174.280 175.900 0.406 0.000 1.018 421 Y CA -2.058 56.253 58.100 0.352 0.000 1.050 421 Y CB 1.259 39.868 38.460 0.249 0.000 1.280 421 Y HN 0.531 nan 8.280 nan 0.000 0.474 422 F N 4.683 124.945 119.950 0.519 0.000 2.500 422 F HA 0.492 5.019 4.527 -0.000 0.000 0.349 422 F C -1.862 174.232 175.800 0.490 0.000 1.127 422 F CA -2.004 56.236 58.000 0.401 0.000 0.998 422 F CB 0.751 39.961 39.000 0.350 0.000 1.237 422 F HN 0.565 nan 8.300 nan 0.000 0.439 423 F N 8.058 128.041 119.950 0.054 0.000 2.404 423 F HA 0.312 4.839 4.527 -0.000 0.000 0.358 423 F C 0.230 175.833 175.800 -0.328 0.000 1.120 423 F CA -0.376 57.596 58.000 -0.046 0.000 1.144 423 F CB 0.572 39.620 39.000 0.079 0.000 1.133 423 F HN 0.535 nan 8.300 nan 0.000 0.495 424 N N 3.359 121.656 118.700 -0.671 0.000 2.433 424 N HA 0.076 4.816 4.740 -0.000 0.000 0.270 424 N C -1.109 174.103 175.510 -0.498 0.000 1.354 424 N CA -0.449 52.286 53.050 -0.526 0.000 0.889 424 N CB -0.656 37.680 38.487 -0.252 0.000 1.285 424 N HN 0.600 nan 8.380 nan 0.000 0.503 425 H N 0.806 119.251 119.070 -1.042 0.000 2.517 425 H HA 0.521 5.077 4.556 -0.000 0.000 0.317 425 H C -0.461 174.647 175.328 -0.367 0.000 1.080 425 H CA -0.599 55.038 56.048 -0.685 0.000 1.301 425 H CB 1.044 30.316 29.762 -0.817 0.000 1.425 425 H HN 0.064 nan 8.280 nan 0.000 0.471 426 R N 4.274 124.281 120.500 -0.821 0.000 2.230 426 R HA 0.499 4.839 4.340 -0.000 0.000 0.337 426 R C -0.690 175.290 176.300 -0.533 0.000 1.063 426 R CA -0.281 55.544 56.100 -0.458 0.000 0.935 426 R CB -0.310 29.831 30.300 -0.266 0.000 1.121 426 R HN 0.755 nan 8.270 nan 0.000 0.486 427 A N 3.010 125.758 122.820 -0.119 0.000 2.586 427 A HA 0.033 4.352 4.320 -0.000 0.000 0.231 427 A C 1.191 178.818 177.584 0.071 0.000 1.055 427 A CA 0.668 52.837 52.037 0.219 0.000 0.756 427 A CB 0.055 19.347 19.000 0.486 0.000 0.988 427 A HN 1.031 nan 8.150 nan 0.000 0.509 428 S N 0.908 116.689 115.700 0.135 0.000 2.453 428 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 428 S C 0.913 175.483 174.600 -0.049 0.000 1.005 428 S CA 0.996 59.220 58.200 0.039 0.000 0.949 428 S CB -0.399 62.847 63.200 0.078 0.000 0.774 428 S HN 0.931 nan 8.310 nan 0.000 0.510 429 N N 0.905 119.526 118.700 -0.130 0.000 2.235 429 N HA 0.175 4.914 4.740 -0.000 0.000 0.209 429 N C 0.141 175.564 175.510 -0.144 0.000 1.122 429 N CA -0.401 52.532 53.050 -0.195 0.000 0.845 429 N CB -0.408 37.850 38.487 -0.381 0.000 1.004 429 N HN 0.281 nan 8.380 nan 0.000 0.499 430 L N 2.453 123.632 121.223 -0.073 0.000 2.601 430 L HA -0.026 4.314 4.340 -0.000 0.000 0.277 430 L C 1.364 178.188 176.870 -0.076 0.000 1.219 430 L CA 0.480 55.293 54.840 -0.046 0.000 0.915 430 L CB 0.725 42.762 42.059 -0.037 0.000 1.160 430 L HN 0.207 nan 8.230 nan 0.000 0.494 431 V N 2.520 122.360 119.914 -0.122 0.000 3.461 431 V HA 0.018 4.138 4.120 -0.000 0.000 0.267 431 V C 0.694 176.742 176.094 -0.077 0.000 1.186 431 V CA -0.340 61.872 62.300 -0.146 0.000 1.154 431 V CB -0.860 30.774 31.823 -0.315 0.000 0.802 431 V HN 0.646 nan 8.190 nan 0.000 0.474 432 W N 1.443 122.694 121.300 -0.083 0.000 2.283 432 W HA 0.537 5.197 4.660 -0.000 0.000 0.341 432 W C -1.883 174.486 176.519 -0.250 0.000 1.206 432 W CA -2.380 54.864 57.345 -0.170 0.000 1.294 432 W CB 0.062 29.284 29.460 -0.395 0.000 1.154 432 W HN -0.047 nan 8.180 nan 0.000 0.613 433 P HA -0.078 nan 4.420 nan 0.000 0.268 433 P C 0.263 177.425 177.300 -0.230 0.000 1.205 433 P CA 0.390 63.422 63.100 -0.114 0.000 0.771 433 P CB 1.020 32.679 31.700 -0.069 0.000 0.858 434 E N 3.181 123.333 120.200 -0.080 0.000 2.171 434 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 434 E C 1.576 178.161 176.600 -0.024 0.000 0.997 434 E CA 1.401 57.772 56.400 -0.050 0.000 0.810 434 E CB -0.305 29.409 29.700 0.023 0.000 0.738 434 E HN 0.655 nan 8.360 nan 0.000 0.467 435 W N -0.388 120.927 121.300 0.025 0.000 2.421 435 W HA -0.136 4.524 4.660 -0.000 0.000 0.270 435 W C 1.203 177.741 176.519 0.031 0.000 1.233 435 W CA 0.351 57.719 57.345 0.039 0.000 1.226 435 W CB -0.598 28.900 29.460 0.064 0.000 1.121 435 W HN 0.072 nan 8.180 nan 0.000 0.579 436 M N 1.438 120.560 119.600 -0.797 0.000 2.557 436 M HA 0.108 4.587 4.480 -0.000 0.000 0.259 436 M C 1.750 177.846 176.300 -0.342 0.000 1.086 436 M CA 1.570 56.358 55.300 -0.854 0.000 1.096 436 M CB -0.695 31.219 32.600 -1.144 0.000 1.424 436 M HN 0.183 nan 8.290 nan 0.000 0.488 437 G N 0.400 109.087 108.800 -0.189 0.000 2.574 437 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.286 437 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.286 437 G C -0.195 174.633 174.900 -0.120 0.000 1.212 437 G CA -0.207 44.836 45.100 -0.095 0.000 0.979 437 G HN 0.214 nan 8.290 nan 0.000 0.557 438 V N 1.784 121.664 119.914 -0.057 0.000 2.299 438 V HA 0.424 4.544 4.120 -0.000 0.000 0.255 438 V C 1.008 177.138 176.094 0.059 0.000 1.100 438 V CA -0.132 62.170 62.300 0.003 0.000 0.938 438 V CB 0.125 31.945 31.823 -0.006 0.000 1.139 438 V HN 0.544 nan 8.190 nan 0.000 0.490 439 I N 2.902 123.469 120.570 -0.004 0.000 2.754 439 I HA 0.121 4.291 4.170 -0.000 0.000 0.285 439 I C 0.901 177.228 176.117 0.350 0.000 1.166 439 I CA -0.357 60.955 61.300 0.020 0.000 1.417 439 I CB 0.181 37.926 38.000 -0.425 0.000 1.382 439 I HN 0.574 nan 8.210 nan 0.000 0.588 440 H N 4.307 123.530 119.070 0.255 0.000 3.107 440 H HA 0.225 4.781 4.556 -0.000 0.000 0.301 440 H C 0.955 176.474 175.328 0.319 0.000 0.981 440 H CA 1.179 57.395 56.048 0.279 0.000 1.443 440 H CB 0.152 30.087 29.762 0.289 0.000 1.479 440 H HN 0.754 nan 8.280 nan 0.000 0.564 441 G N 3.611 112.372 108.800 -0.065 0.000 2.232 441 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.226 441 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.226 441 G C 0.503 175.434 174.900 0.052 0.000 0.996 441 G CA 0.291 45.349 45.100 -0.069 0.000 0.626 441 G HN 0.612 nan 8.290 nan 0.000 0.509 442 Y N 1.787 122.244 120.300 0.261 0.000 2.470 442 Y HA 0.270 4.820 4.550 -0.000 0.000 0.284 442 Y C 2.254 178.276 175.900 0.204 0.000 1.188 442 Y CA 0.840 59.124 58.100 0.307 0.000 1.269 442 Y CB 0.406 39.059 38.460 0.323 0.000 1.094 442 Y HN 0.492 nan 8.280 nan 0.000 0.518 443 E N 0.076 120.263 120.200 -0.021 0.000 2.340 443 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 443 E C 1.619 178.144 176.600 -0.126 0.000 0.996 443 E CA 0.601 56.644 56.400 -0.595 0.000 0.869 443 E CB -0.429 28.642 29.700 -1.049 0.000 0.835 443 E HN 0.523 nan 8.360 nan 0.000 0.493 444 I N 2.605 123.214 120.570 0.064 0.000 2.208 444 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 444 I C 2.550 178.751 176.117 0.141 0.000 1.097 444 I CA 2.157 63.551 61.300 0.155 0.000 1.363 444 I CB -0.505 37.637 38.000 0.236 0.000 1.051 444 I HN 0.228 nan 8.210 nan 0.000 0.413 445 E N 0.720 120.973 120.200 0.089 0.000 2.265 445 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 445 E C 1.928 178.435 176.600 -0.155 0.000 0.996 445 E CA 1.315 57.699 56.400 -0.027 0.000 0.832 445 E CB -0.384 29.302 29.700 -0.023 0.000 0.756 445 E HN 0.434 nan 8.360 nan 0.000 0.491 446 F N 1.024 120.907 119.950 -0.112 0.000 2.262 446 F HA -0.008 4.519 4.527 -0.000 0.000 0.292 446 F C 2.370 178.016 175.800 -0.257 0.000 1.081 446 F CA 0.434 58.323 58.000 -0.186 0.000 1.355 446 F CB -0.270 38.656 39.000 -0.123 0.000 1.069 446 F HN -0.155 nan 8.300 nan 0.000 0.506 447 V N -0.649 119.199 119.914 -0.109 0.000 2.380 447 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 447 V C 1.706 177.615 176.094 -0.310 0.000 1.063 447 V CA 1.766 63.857 62.300 -0.347 0.000 1.055 447 V CB -0.695 30.989 31.823 -0.232 0.000 0.657 447 V HN 0.220 nan 8.190 nan 0.000 0.455 448 F N 0.248 120.085 119.950 -0.189 0.000 2.732 448 F HA 0.407 4.934 4.527 -0.000 0.000 0.303 448 F C 1.786 177.532 175.800 -0.090 0.000 1.110 448 F CA 0.607 58.522 58.000 -0.143 0.000 1.355 448 F CB -0.203 38.691 39.000 -0.176 0.000 1.081 448 F HN 0.258 nan 8.300 nan 0.000 0.565 449 G N 0.339 109.083 108.800 -0.093 0.000 2.168 449 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 449 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 449 G C 1.253 175.887 174.900 -0.443 0.000 0.997 449 G CA 0.482 45.455 45.100 -0.212 0.000 0.708 449 G HN 0.403 nan 8.290 nan 0.000 0.520 450 L N -0.515 120.447 121.223 -0.436 0.000 2.187 450 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 450 L C 0.146 176.589 176.870 -0.711 0.000 1.100 450 L CA 1.986 56.503 54.840 -0.538 0.000 0.765 450 L CB -1.333 40.541 42.059 -0.308 0.000 0.904 450 L HN 0.222 nan 8.230 nan 0.000 0.437 451 P HA -0.127 nan 4.420 nan 0.000 0.225 451 P C 1.845 178.857 177.300 -0.479 0.000 1.148 451 P CA 0.926 63.383 63.100 -1.071 0.000 0.779 451 P CB 0.109 31.107 31.700 -1.169 0.000 0.780 452 L N -1.316 119.640 121.223 -0.445 0.000 2.376 452 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 452 L C 1.125 177.830 176.870 -0.274 0.000 1.133 452 L CA 0.713 55.372 54.840 -0.302 0.000 0.816 452 L CB -0.575 41.324 42.059 -0.268 0.000 0.933 452 L HN -0.054 nan 8.230 nan 0.000 0.449 453 V N -0.178 119.528 119.914 -0.346 0.000 2.334 453 V HA 0.138 4.258 4.120 -0.000 0.000 0.267 453 V C 1.213 177.242 176.094 -0.110 0.000 1.040 453 V CA -0.506 61.652 62.300 -0.238 0.000 0.866 453 V CB 1.421 33.058 31.823 -0.310 0.000 1.019 453 V HN 0.116 nan 8.190 nan 0.000 0.468 454 K N 4.065 124.421 120.400 -0.073 0.000 2.113 454 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 454 K C 1.682 178.266 176.600 -0.027 0.000 1.047 454 K CA 2.311 58.576 56.287 -0.036 0.000 0.928 454 K CB -0.208 32.272 32.500 -0.033 0.000 0.716 454 K HN 0.894 nan 8.250 nan 0.000 0.446 455 E N 0.097 120.275 120.200 -0.037 0.000 2.267 455 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 455 E C 1.313 177.887 176.600 -0.043 0.000 0.998 455 E CA 0.742 57.119 56.400 -0.038 0.000 0.830 455 E CB -0.137 29.541 29.700 -0.037 0.000 0.751 455 E HN 0.254 nan 8.360 nan 0.000 0.491 456 L N 0.066 121.275 121.223 -0.023 0.000 2.610 456 L HA 0.052 4.392 4.340 -0.000 0.000 0.232 456 L C -0.246 176.557 176.870 -0.111 0.000 1.149 456 L CA 0.110 54.935 54.840 -0.025 0.000 0.872 456 L CB -0.704 41.423 42.059 0.113 0.000 0.992 456 L HN 0.179 nan 8.230 nan 0.000 0.447 457 N N -1.622 117.046 118.700 -0.053 0.000 2.740 457 N HA -0.234 4.506 4.740 -0.000 0.000 0.248 457 N C -0.642 174.805 175.510 -0.106 0.000 1.062 457 N CA 0.447 53.449 53.050 -0.080 0.000 0.704 457 N CB -1.569 36.847 38.487 -0.117 0.000 0.968 457 N HN 0.286 nan 8.380 nan 0.000 0.547 458 Y N 0.014 120.274 120.300 -0.067 0.000 2.334 458 Y HA 0.365 4.915 4.550 -0.000 0.000 0.325 458 Y C 1.825 177.718 175.900 -0.012 0.000 1.308 458 Y CA -0.266 57.812 58.100 -0.036 0.000 1.389 458 Y CB 0.530 38.938 38.460 -0.087 0.000 1.328 458 Y HN 0.118 nan 8.280 nan 0.000 0.532 459 T N -1.989 112.686 114.554 0.201 0.000 2.788 459 T HA 0.405 4.755 4.350 -0.000 0.000 0.280 459 T C 1.240 175.995 174.700 0.091 0.000 0.984 459 T CA -0.259 61.912 62.100 0.117 0.000 0.972 459 T CB 0.984 69.920 68.868 0.114 0.000 1.039 459 T HN 0.747 nan 8.240 nan 0.000 0.530 460 A N 0.841 123.691 122.820 0.051 0.000 1.933 460 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 460 A C 2.309 179.906 177.584 0.020 0.000 1.175 460 A CA 1.464 53.517 52.037 0.025 0.000 0.628 460 A CB -0.785 18.224 19.000 0.014 0.000 0.814 460 A HN 0.941 nan 8.150 nan 0.000 0.444 461 E N 0.348 120.565 120.200 0.030 0.000 2.216 461 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 461 E C 1.441 178.049 176.600 0.013 0.000 0.988 461 E CA 1.105 57.509 56.400 0.006 0.000 0.834 461 E CB -0.475 29.220 29.700 -0.008 0.000 0.772 461 E HN 0.790 nan 8.360 nan 0.000 0.479 462 E N 1.214 121.467 120.200 0.089 0.000 2.107 462 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 462 E C 2.076 178.723 176.600 0.079 0.000 0.982 462 E CA 0.755 57.285 56.400 0.217 0.000 0.809 462 E CB 0.019 29.968 29.700 0.415 0.000 0.756 462 E HN 0.362 nan 8.360 nan 0.000 0.459 463 E N 0.937 121.126 120.200 -0.019 0.000 2.051 463 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 463 E C 2.092 178.662 176.600 -0.051 0.000 0.991 463 E CA 1.029 57.374 56.400 -0.093 0.000 0.799 463 E CB -0.068 29.586 29.700 -0.076 0.000 0.748 463 E HN 0.196 nan 8.360 nan 0.000 0.449 464 A N 1.250 124.054 122.820 -0.026 0.000 1.908 464 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 464 A C 2.165 179.733 177.584 -0.026 0.000 1.181 464 A CA 1.531 53.549 52.037 -0.032 0.000 0.627 464 A CB -0.760 18.223 19.000 -0.028 0.000 0.818 464 A HN 0.405 nan 8.150 nan 0.000 0.445 465 L N -0.099 121.129 121.223 0.008 0.000 2.046 465 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 465 L C 2.589 179.508 176.870 0.083 0.000 1.077 465 L CA 2.682 57.537 54.840 0.025 0.000 0.747 465 L CB -0.915 41.137 42.059 -0.012 0.000 0.896 465 L HN 0.362 nan 8.230 nan 0.000 0.432 466 S N -0.790 115.003 115.700 0.155 0.000 2.382 466 S HA -0.208 4.261 4.470 -0.000 0.000 0.228 466 S C 2.198 176.762 174.600 -0.060 0.000 1.027 466 S CA 1.338 59.578 58.200 0.068 0.000 0.991 466 S CB -0.240 62.885 63.200 -0.126 0.000 0.823 466 S HN 0.551 nan 8.310 nan 0.000 0.469 467 R N 0.617 121.076 120.500 -0.068 0.000 2.092 467 R HA -0.003 4.337 4.340 -0.000 0.000 0.231 467 R C 2.607 178.849 176.300 -0.097 0.000 1.119 467 R CA 1.676 57.730 56.100 -0.077 0.000 0.970 467 R CB -0.215 30.041 30.300 -0.073 0.000 0.864 467 R HN 0.566 nan 8.270 nan 0.000 0.440 468 R N 0.012 120.426 120.500 -0.144 0.000 2.193 468 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 468 R C 2.015 178.082 176.300 -0.389 0.000 1.055 468 R CA 0.826 56.736 56.100 -0.317 0.000 0.995 468 R CB -0.349 29.701 30.300 -0.418 0.000 0.893 468 R HN 0.195 nan 8.270 nan 0.000 0.459 469 I N 1.583 122.054 120.570 -0.164 0.000 2.163 469 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 469 I C 2.577 178.579 176.117 -0.192 0.000 1.081 469 I CA 1.547 62.756 61.300 -0.151 0.000 1.353 469 I CB -0.166 37.645 38.000 -0.316 0.000 1.054 469 I HN 0.135 nan 8.210 nan 0.000 0.407 470 M N -0.690 118.795 119.600 -0.191 0.000 2.080 470 M HA -0.274 4.206 4.480 -0.000 0.000 0.260 470 M C 2.449 178.768 176.300 0.032 0.000 1.068 470 M CA 1.870 57.099 55.300 -0.118 0.000 1.109 470 M CB -0.908 31.630 32.600 -0.105 0.000 1.342 470 M HN 0.262 nan 8.290 nan 0.000 0.405 471 H N -0.317 118.727 119.070 -0.043 0.000 2.421 471 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 471 H C 1.600 177.009 175.328 0.136 0.000 1.087 471 H CA 1.890 57.933 56.048 -0.008 0.000 1.330 471 H CB 0.030 29.736 29.762 -0.093 0.000 1.388 471 H HN 0.281 nan 8.280 nan 0.000 0.526 472 Y N -0.996 119.436 120.300 0.219 0.000 2.145 472 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 472 Y C 2.502 178.597 175.900 0.325 0.000 1.145 472 Y CA 1.004 59.293 58.100 0.315 0.000 1.148 472 Y CB -1.016 37.838 38.460 0.655 0.000 0.981 472 Y HN 0.367 nan 8.280 nan 0.000 0.507 473 W N -0.456 120.940 121.300 0.160 0.000 2.355 473 W HA -0.218 4.442 4.660 -0.000 0.000 0.309 473 W C 2.587 179.090 176.519 -0.025 0.000 1.206 473 W CA 1.155 58.533 57.345 0.054 0.000 1.284 473 W CB -0.474 28.968 29.460 -0.031 0.000 1.145 473 W HN 0.056 nan 8.180 nan 0.000 0.502 474 A N 0.167 123.065 122.820 0.131 0.000 1.873 474 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 474 A C 1.818 179.341 177.584 -0.100 0.000 1.186 474 A CA 2.376 54.392 52.037 -0.035 0.000 0.616 474 A CB -1.287 17.664 19.000 -0.082 0.000 0.823 474 A HN 0.211 nan 8.150 nan 0.000 0.442 475 T N -0.591 113.853 114.554 -0.183 0.000 2.720 475 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 475 T C 1.620 176.245 174.700 -0.126 0.000 1.037 475 T CA 1.626 63.611 62.100 -0.192 0.000 1.144 475 T CB -0.432 68.294 68.868 -0.237 0.000 0.864 475 T HN 0.492 nan 8.240 nan 0.000 0.444 476 F N 2.360 122.211 119.950 -0.165 0.000 2.126 476 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 476 F C 2.420 178.126 175.800 -0.156 0.000 1.096 476 F CA 0.966 58.833 58.000 -0.222 0.000 1.255 476 F CB -0.703 38.111 39.000 -0.311 0.000 0.997 476 F HN 0.142 nan 8.300 nan 0.000 0.479 477 A N 0.252 122.939 122.820 -0.221 0.000 1.902 477 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 477 A C 2.302 179.733 177.584 -0.255 0.000 1.181 477 A CA 1.968 53.861 52.037 -0.240 0.000 0.623 477 A CB -0.867 18.073 19.000 -0.100 0.000 0.818 477 A HN 0.512 nan 8.150 nan 0.000 0.443 478 K N -0.831 119.450 120.400 -0.199 0.000 2.155 478 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 478 K C 1.601 178.093 176.600 -0.180 0.000 1.052 478 K CA 1.861 58.055 56.287 -0.154 0.000 0.948 478 K CB -0.054 32.382 32.500 -0.106 0.000 0.728 478 K HN 0.601 nan 8.250 nan 0.000 0.448 479 T N -5.449 108.959 114.554 -0.244 0.000 2.986 479 T HA 0.278 4.628 4.350 -0.000 0.000 0.264 479 T C 1.126 175.670 174.700 -0.260 0.000 0.964 479 T CA 0.366 62.343 62.100 -0.205 0.000 0.895 479 T CB 0.966 69.752 68.868 -0.136 0.000 1.163 479 T HN 0.286 nan 8.240 nan 0.000 0.517 480 G N 1.583 110.079 108.800 -0.506 0.000 2.175 480 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 480 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 480 G C -0.165 174.609 174.900 -0.209 0.000 0.982 480 G CA 0.056 44.852 45.100 -0.507 0.000 0.641 480 G HN 0.878 nan 8.290 nan 0.000 0.527 481 N N -0.129 118.430 118.700 -0.235 0.000 2.454 481 N HA 0.422 5.161 4.740 -0.000 0.000 0.291 481 N C -1.547 173.790 175.510 -0.288 0.000 1.079 481 N CA -1.477 51.415 53.050 -0.263 0.000 0.893 481 N CB 2.458 40.901 38.487 -0.074 0.000 1.512 481 N HN -0.056 nan 8.380 nan 0.000 0.497 482 P HA -0.074 nan 4.420 nan 0.000 0.222 482 P C -0.449 176.891 177.300 0.065 0.000 1.147 482 P CA 0.823 63.778 63.100 -0.243 0.000 0.790 482 P CB 0.356 31.615 31.700 -0.734 0.000 0.780 483 N N 1.101 119.797 118.700 -0.008 0.000 2.473 483 N HA 0.149 4.889 4.740 -0.000 0.000 0.291 483 N C 0.021 175.599 175.510 0.113 0.000 1.083 483 N CA -0.292 52.846 53.050 0.148 0.000 0.951 483 N CB 1.304 39.872 38.487 0.136 0.000 1.164 483 N HN 0.121 nan 8.380 nan 0.000 0.480 484 E N 2.473 122.769 120.200 0.160 0.000 2.229 484 E HA 0.191 4.541 4.350 -0.000 0.000 0.283 484 E C -1.426 175.233 176.600 0.097 0.000 1.030 484 E CA -1.324 55.151 56.400 0.124 0.000 0.836 484 E CB 0.610 30.404 29.700 0.157 0.000 1.068 484 E HN 0.398 nan 8.360 nan 0.000 0.401 491 K N 3.185 123.694 120.400 0.182 0.000 2.258 491 K HA 0.205 4.525 4.320 -0.000 0.000 0.284 491 K C -0.426 176.350 176.600 0.293 0.000 1.051 491 K CA -0.462 55.964 56.287 0.232 0.000 0.923 491 K CB 0.672 33.283 32.500 0.186 0.000 1.046 491 K HN 0.630 nan 8.250 nan 0.000 0.474 492 W N 7.373 128.739 121.300 0.110 0.000 2.437 492 W HA 0.177 4.837 4.660 -0.000 0.000 0.312 492 W C -2.383 174.266 176.519 0.217 0.000 1.242 492 W CA -2.544 54.862 57.345 0.103 0.000 1.340 492 W CB 0.160 29.590 29.460 -0.050 0.000 1.327 492 W HN 0.411 nan 8.180 nan 0.000 0.476 493 P HA 0.097 nan 4.420 nan 0.000 0.279 493 P C -0.625 176.885 177.300 0.350 0.000 1.252 493 P CA -0.589 62.740 63.100 0.382 0.000 0.811 493 P CB 1.737 33.576 31.700 0.232 0.000 1.035 494 L N 2.280 123.571 121.223 0.114 0.000 2.461 494 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 494 L C -0.029 176.843 176.870 0.003 0.000 1.197 494 L CA -0.164 54.554 54.840 -0.202 0.000 0.836 494 L CB -0.748 41.208 42.059 -0.172 0.000 1.105 494 L HN 0.256 nan 8.230 nan 0.000 0.477 495 F N 3.452 123.309 119.950 -0.155 0.000 2.411 495 F HA 0.501 5.028 4.527 -0.000 0.000 0.355 495 F C 0.145 175.923 175.800 -0.037 0.000 1.117 495 F CA -0.404 57.591 58.000 -0.008 0.000 1.139 495 F CB 0.765 39.791 39.000 0.044 0.000 1.120 495 F HN 0.592 nan 8.300 nan 0.000 0.493 496 T N 0.933 115.228 114.554 -0.432 0.000 2.856 496 T HA 0.256 4.606 4.350 -0.000 0.000 0.283 496 T C 1.095 175.546 174.700 -0.416 0.000 1.008 496 T CA -0.011 61.930 62.100 -0.266 0.000 0.997 496 T CB 1.375 70.142 68.868 -0.168 0.000 0.992 496 T HN 0.689 nan 8.240 nan 0.000 0.454 497 T N -0.810 113.648 114.554 -0.161 0.000 2.869 497 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 497 T C 2.087 176.700 174.700 -0.146 0.000 1.082 497 T CA 1.630 63.663 62.100 -0.110 0.000 1.123 497 T CB -0.819 68.038 68.868 -0.018 0.000 0.856 497 T HN 0.913 nan 8.240 nan 0.000 0.499 498 K N 1.295 121.606 120.400 -0.148 0.000 2.044 498 K HA 0.193 4.513 4.320 -0.000 0.000 0.204 498 K C 2.134 178.652 176.600 -0.137 0.000 1.045 498 K CA 1.322 57.543 56.287 -0.110 0.000 0.951 498 K CB -0.967 31.485 32.500 -0.080 0.000 0.738 498 K HN 0.492 nan 8.250 nan 0.000 0.443 499 E N -0.199 119.890 120.200 -0.186 0.000 2.122 499 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 499 E C 0.051 176.512 176.600 -0.233 0.000 0.977 499 E CA 0.536 56.836 56.400 -0.168 0.000 0.820 499 E CB 0.262 29.881 29.700 -0.135 0.000 0.770 499 E HN 0.533 nan 8.360 nan 0.000 0.462 500 Q N -0.102 119.369 119.800 -0.549 0.000 2.475 500 Q HA -0.234 4.106 4.340 -0.000 0.000 0.280 500 Q C -0.860 175.067 176.000 -0.122 0.000 1.234 500 Q CA 0.587 55.910 55.803 -0.801 0.000 0.873 500 Q CB -1.466 27.116 28.738 -0.259 0.000 1.256 500 Q HN 0.170 nan 8.270 nan 0.000 0.475 501 K N 0.376 120.746 120.400 -0.051 0.000 2.168 501 K HA 0.643 4.963 4.320 -0.000 0.000 0.258 501 K C 0.016 176.958 176.600 0.571 0.000 1.010 501 K CA 0.082 56.495 56.287 0.211 0.000 0.929 501 K CB 0.542 33.098 32.500 0.094 0.000 0.998 501 K HN 0.215 nan 8.250 nan 0.000 0.479 502 F N -1.148 118.984 119.950 0.302 0.000 2.741 502 F HA 0.536 5.063 4.527 -0.000 0.000 0.311 502 F C -1.263 174.643 175.800 0.178 0.000 1.149 502 F CA -1.499 56.699 58.000 0.329 0.000 0.930 502 F CB 0.659 39.863 39.000 0.339 0.000 1.312 502 F HN 0.405 nan 8.300 nan 0.000 0.450 503 I N -0.876 119.776 120.570 0.138 0.000 2.910 503 I HA 0.699 4.869 4.170 -0.000 0.000 0.310 503 I C -1.056 175.187 176.117 0.211 0.000 1.043 503 I CA -0.856 60.387 61.300 -0.095 0.000 1.053 503 I CB 1.756 39.488 38.000 -0.447 0.000 1.242 503 I HN 0.443 nan 8.210 nan 0.000 0.452 504 D N 2.343 122.851 120.400 0.181 0.000 2.294 504 D HA 0.558 5.198 4.640 -0.000 0.000 0.250 504 D C -1.048 175.328 176.300 0.127 0.000 1.058 504 D CA 0.013 54.208 54.000 0.326 0.000 0.950 504 D CB 2.075 43.074 40.800 0.331 0.000 1.158 504 D HN 0.245 nan 8.370 nan 0.000 0.453 505 L N 2.741 124.031 121.223 0.113 0.000 2.388 505 L HA 0.325 4.665 4.340 -0.000 0.000 0.267 505 L C -0.779 176.007 176.870 -0.140 0.000 0.995 505 L CA -0.453 54.410 54.840 0.037 0.000 0.864 505 L CB 0.272 42.430 42.059 0.165 0.000 1.216 505 L HN 0.502 nan 8.230 nan 0.000 0.430 506 N N -0.647 117.977 118.700 -0.126 0.000 3.277 506 N HA 0.359 5.099 4.740 -0.000 0.000 0.278 506 N C 0.590 175.988 175.510 -0.186 0.000 1.544 506 N CA -0.145 52.775 53.050 -0.217 0.000 0.869 506 N CB 0.357 38.773 38.487 -0.119 0.000 1.584 506 N HN 0.118 nan 8.380 nan 0.000 0.564 507 T N -2.957 111.451 114.554 -0.244 0.000 2.821 507 T HA -0.008 4.342 4.350 -0.000 0.000 0.267 507 T C 0.316 174.976 174.700 -0.066 0.000 1.046 507 T CA 0.842 62.839 62.100 -0.172 0.000 1.139 507 T CB -0.658 68.094 68.868 -0.194 0.000 0.871 507 T HN 0.576 nan 8.240 nan 0.000 0.454 508 E N 2.446 122.625 120.200 -0.035 0.000 2.447 508 E HA 0.196 4.546 4.350 -0.000 0.000 0.259 508 E C -2.457 174.144 176.600 0.002 0.000 1.196 508 E CA -1.660 54.738 56.400 -0.004 0.000 0.995 508 E CB -0.312 29.398 29.700 0.015 0.000 0.974 508 E HN 0.263 nan 8.360 nan 0.000 0.465 509 P HA -0.059 nan 4.420 nan 0.000 0.268 509 P C -0.334 176.973 177.300 0.012 0.000 1.205 509 P CA 0.203 63.313 63.100 0.016 0.000 0.771 509 P CB 0.414 32.122 31.700 0.013 0.000 0.858 510 M N 3.242 122.855 119.600 0.022 0.000 2.248 510 M HA -0.030 4.450 4.480 -0.000 0.000 0.343 510 M C -0.635 175.634 176.300 -0.052 0.000 1.243 510 M CA 1.088 56.388 55.300 -0.000 0.000 1.025 510 M CB -0.009 32.610 32.600 0.031 0.000 1.759 510 M HN 0.208 nan 8.290 nan 0.000 0.452 511 K N 3.756 124.086 120.400 -0.117 0.000 2.443 511 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 511 K C -1.519 174.821 176.600 -0.435 0.000 0.933 511 K CA -0.795 55.334 56.287 -0.263 0.000 0.792 511 K CB 2.561 34.883 32.500 -0.297 0.000 1.185 511 K HN 0.491 nan 8.250 nan 0.000 0.425 512 V N 4.015 123.662 119.914 -0.446 0.000 2.427 512 V HA 0.376 4.496 4.120 -0.000 0.000 0.286 512 V C -0.120 175.579 176.094 -0.658 0.000 1.034 512 V CA -0.595 61.447 62.300 -0.431 0.000 0.893 512 V CB 0.926 32.635 31.823 -0.189 0.000 0.982 512 V HN 0.724 nan 8.190 nan 0.000 0.452 513 H N 2.976 121.701 119.070 -0.574 0.000 2.869 513 H HA 0.646 5.202 4.556 -0.000 0.000 0.342 513 H C -1.041 173.999 175.328 -0.479 0.000 1.250 513 H CA -0.816 54.878 56.048 -0.589 0.000 1.217 513 H CB 2.241 31.456 29.762 -0.910 0.000 1.917 513 H HN 0.555 nan 8.280 nan 0.000 0.586 514 Q N 0.317 120.129 119.800 0.020 0.000 2.423 514 Q HA 0.351 4.691 4.340 -0.000 0.000 0.278 514 Q C -0.624 175.605 176.000 0.383 0.000 1.097 514 Q CA -0.930 54.991 55.803 0.197 0.000 0.809 514 Q CB 2.873 31.660 28.738 0.082 0.000 1.391 514 Q HN 0.476 nan 8.270 nan 0.000 0.428 515 R N 0.801 121.527 120.500 0.376 0.000 3.079 515 R HA -0.211 4.129 4.340 -0.000 0.000 0.254 515 R C -0.548 175.902 176.300 0.250 0.000 0.900 515 R CA -0.127 56.144 56.100 0.285 0.000 0.641 515 R CB -1.732 28.671 30.300 0.171 0.000 1.307 515 R HN 0.456 nan 8.270 nan 0.000 0.477 516 L N 2.173 123.475 121.223 0.133 0.000 2.660 516 L HA -0.030 4.309 4.340 -0.000 0.000 0.272 516 L C 0.954 177.771 176.870 -0.088 0.000 1.194 516 L CA 0.746 55.428 54.840 -0.264 0.000 0.945 516 L CB -0.141 41.377 42.059 -0.901 0.000 1.212 516 L HN 0.458 nan 8.230 nan 0.000 0.490 517 R N 2.224 122.690 120.500 -0.057 0.000 3.387 517 R HA -0.207 4.133 4.340 -0.000 0.000 0.254 517 R C 1.205 177.565 176.300 0.100 0.000 1.006 517 R CA 0.564 56.682 56.100 0.031 0.000 0.677 517 R CB -1.942 28.391 30.300 0.055 0.000 1.063 517 R HN 0.741 nan 8.270 nan 0.000 0.453 518 V N -1.718 118.255 119.914 0.098 0.000 2.252 518 V HA -0.371 3.749 4.120 -0.000 0.000 0.249 518 V C 2.344 178.513 176.094 0.125 0.000 1.056 518 V CA 2.267 64.639 62.300 0.120 0.000 1.022 518 V CB -0.554 31.331 31.823 0.104 0.000 0.641 518 V HN 0.346 nan 8.190 nan 0.000 0.445 519 Q N -0.217 119.636 119.800 0.089 0.000 1.998 519 Q HA -0.217 4.122 4.340 -0.000 0.000 0.209 519 Q C 2.187 178.252 176.000 0.108 0.000 1.002 519 Q CA 2.348 58.190 55.803 0.064 0.000 0.858 519 Q CB -0.467 28.277 28.738 0.011 0.000 0.932 519 Q HN 0.511 nan 8.270 nan 0.000 0.416 520 M N -1.045 118.634 119.600 0.132 0.000 2.213 520 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 520 M C 2.356 178.956 176.300 0.500 0.000 1.062 520 M CA 0.958 56.413 55.300 0.257 0.000 1.105 520 M CB -1.166 31.625 32.600 0.318 0.000 1.385 520 M HN 0.361 nan 8.290 nan 0.000 0.417 521 c N -0.683 118.149 118.600 0.386 0.000 2.464 521 c HA -0.008 4.562 4.570 -0.000 0.000 0.278 521 c C 2.915 177.203 174.090 0.330 0.000 1.375 521 c CA 0.157 56.726 56.329 0.400 0.000 1.761 521 c CB -0.731 41.942 42.510 0.272 0.000 1.944 521 c HN 0.311 nan 8.230 nan 0.000 0.509 522 V N 0.558 120.627 119.914 0.258 0.000 2.427 522 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 522 V C 2.045 178.285 176.094 0.242 0.000 1.051 522 V CA 2.108 64.535 62.300 0.212 0.000 1.048 522 V CB -0.744 31.172 31.823 0.156 0.000 0.666 522 V HN 0.562 nan 8.190 nan 0.000 0.456 523 F N 0.013 120.024 119.950 0.102 0.000 2.075 523 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 523 F C 1.987 177.821 175.800 0.057 0.000 1.113 523 F CA 1.777 59.800 58.000 0.037 0.000 1.218 523 F CB -0.494 38.406 39.000 -0.166 0.000 0.984 523 F HN 0.179 nan 8.300 nan 0.000 0.472 524 W N 0.595 121.986 121.300 0.152 0.000 2.388 524 W HA -0.133 4.526 4.660 -0.000 0.000 0.294 524 W C 2.182 178.689 176.519 -0.020 0.000 1.212 524 W CA 0.938 58.297 57.345 0.023 0.000 1.271 524 W CB -0.528 29.071 29.460 0.231 0.000 1.126 524 W HN -0.001 nan 8.180 nan 0.000 0.535 525 N N -0.506 118.339 118.700 0.242 0.000 2.336 525 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 525 N C 1.468 177.004 175.510 0.044 0.000 1.018 525 N CA 1.056 54.167 53.050 0.101 0.000 0.878 525 N CB -0.359 38.211 38.487 0.138 0.000 0.997 525 N HN 0.193 nan 8.380 nan 0.000 0.433 526 Q N -0.453 119.398 119.800 0.084 0.000 2.389 526 Q HA 0.258 4.598 4.340 -0.000 0.000 0.198 526 Q C 1.583 177.609 176.000 0.044 0.000 0.967 526 Q CA 0.278 56.127 55.803 0.076 0.000 0.863 526 Q CB -0.568 28.244 28.738 0.124 0.000 0.987 526 Q HN 0.195 nan 8.270 nan 0.000 0.557 527 F N 0.701 120.591 119.950 -0.100 0.000 2.084 527 F HA -0.128 4.399 4.527 -0.000 0.000 0.296 527 F C 1.797 177.434 175.800 -0.271 0.000 1.111 527 F CA 0.955 58.861 58.000 -0.157 0.000 1.224 527 F CB -0.320 38.613 39.000 -0.111 0.000 0.991 527 F HN 0.134 nan 8.300 nan 0.000 0.471 528 L N 0.934 121.775 121.223 -0.636 0.000 2.046 528 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 528 L C -0.912 175.696 176.870 -0.436 0.000 1.077 528 L CA 1.939 56.337 54.840 -0.736 0.000 0.747 528 L CB -1.743 39.817 42.059 -0.831 0.000 0.896 528 L HN -0.017 nan 8.230 nan 0.000 0.432 529 P HA -0.174 nan 4.420 nan 0.000 0.217 529 P C 1.459 178.654 177.300 -0.175 0.000 1.150 529 P CA 1.434 64.449 63.100 -0.141 0.000 0.832 529 P CB 0.033 31.684 31.700 -0.082 0.000 0.787 530 K N -0.711 119.549 120.400 -0.234 0.000 2.057 530 K HA -0.132 4.187 4.320 -0.000 0.000 0.206 530 K C 1.898 178.338 176.600 -0.266 0.000 1.050 530 K CA 0.952 57.113 56.287 -0.210 0.000 0.935 530 K CB -0.729 31.656 32.500 -0.192 0.000 0.715 530 K HN -0.036 nan 8.250 nan 0.000 0.439 531 L N 1.182 122.139 121.223 -0.443 0.000 2.046 531 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 531 L C 1.715 178.447 176.870 -0.229 0.000 1.077 531 L CA 1.599 56.201 54.840 -0.396 0.000 0.747 531 L CB -0.281 41.422 42.059 -0.593 0.000 0.896 531 L HN 0.194 nan 8.230 nan 0.000 0.432 532 L N -0.794 120.306 121.223 -0.206 0.000 2.217 532 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 532 L C 2.193 179.010 176.870 -0.087 0.000 1.107 532 L CA 0.773 55.535 54.840 -0.129 0.000 0.783 532 L CB -0.631 41.367 42.059 -0.103 0.000 0.919 532 L HN 0.364 nan 8.230 nan 0.000 0.442 533 N N 0.683 119.327 118.700 -0.094 0.000 2.062 533 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 533 N C 1.886 177.362 175.510 -0.058 0.000 1.042 533 N CA 1.694 54.705 53.050 -0.065 0.000 0.845 533 N CB -0.129 38.319 38.487 -0.066 0.000 1.024 533 N HN 0.233 nan 8.380 nan 0.000 0.424 534 A N -0.452 122.327 122.820 -0.070 0.000 1.933 534 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 534 A C 1.401 178.958 177.584 -0.046 0.000 1.175 534 A CA 1.856 53.861 52.037 -0.053 0.000 0.628 534 A CB -1.242 17.724 19.000 -0.058 0.000 0.814 534 A HN 0.580 nan 8.150 nan 0.000 0.444 535 T N 0.000 114.520 114.554 -0.056 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 535 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658