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 1qig_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNCQQYVDE QFPGFSGSEM WNPNREMSED CLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE CNLNSDEELI HCLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVICP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.646 174.600 0.076 0.000 1.055 4 S CA 0.000 58.229 58.200 0.049 0.000 1.107 4 S CB 0.000 63.227 63.200 0.046 0.000 0.593 5 E N 2.800 123.047 120.200 0.079 0.000 2.204 5 E HA -0.052 4.298 4.350 -0.001 0.000 0.195 5 E C 1.099 177.811 176.600 0.186 0.000 0.990 5 E CA 1.251 57.723 56.400 0.119 0.000 0.821 5 E CB -0.063 29.696 29.700 0.098 0.000 0.750 5 E HN 0.742 nan 8.360 nan 0.000 0.477 6 L N 0.802 122.097 121.223 0.121 0.000 2.591 6 L HA 0.130 4.469 4.340 -0.001 0.000 0.228 6 L C 0.349 177.370 176.870 0.251 0.000 1.133 6 L CA -0.347 54.548 54.840 0.091 0.000 0.880 6 L CB 0.225 42.253 42.059 -0.053 0.000 1.033 6 L HN 0.137 nan 8.230 nan 0.000 0.450 7 L N 0.722 122.084 121.223 0.231 0.000 2.296 7 L HA 0.534 4.874 4.340 -0.001 0.000 0.286 7 L C -0.621 176.346 176.870 0.162 0.000 1.023 7 L CA -0.256 54.715 54.840 0.217 0.000 0.812 7 L CB 1.600 43.731 42.059 0.119 0.000 1.223 7 L HN -0.320 nan 8.230 nan 0.000 0.421 8 V N 4.446 124.436 119.914 0.127 0.000 2.638 8 V HA 0.465 4.584 4.120 -0.001 0.000 0.306 8 V C -0.618 175.391 176.094 -0.142 0.000 1.052 8 V CA -0.805 61.402 62.300 -0.154 0.000 0.885 8 V CB 1.966 33.394 31.823 -0.659 0.000 0.999 8 V HN 0.758 nan 8.190 nan 0.000 0.424 9 N N 3.074 121.628 118.700 -0.243 0.000 2.485 9 N HA 0.438 5.177 4.740 -0.001 0.000 0.243 9 N C -0.070 175.116 175.510 -0.540 0.000 0.987 9 N CA -0.104 52.777 53.050 -0.283 0.000 0.940 9 N CB 1.296 39.620 38.487 -0.272 0.000 1.122 9 N HN 0.922 nan 8.380 nan 0.000 0.509 10 T N 0.072 114.412 114.554 -0.357 0.000 2.910 10 T HA 0.355 4.705 4.350 -0.001 0.000 0.279 10 T C 1.091 175.550 174.700 -0.402 0.000 0.989 10 T CA -0.498 61.367 62.100 -0.392 0.000 0.968 10 T CB 1.058 69.938 68.868 0.020 0.000 1.135 10 T HN 0.358 nan 8.240 nan 0.000 0.562 11 K N 0.148 120.365 120.400 -0.305 0.000 2.362 11 K HA 0.033 4.353 4.320 -0.001 0.000 0.200 11 K C 1.992 178.453 176.600 -0.233 0.000 1.046 11 K CA 0.745 56.893 56.287 -0.232 0.000 0.952 11 K CB -0.059 32.367 32.500 -0.123 0.000 0.753 11 K HN 0.417 nan 8.250 nan 0.000 0.466 12 S N -0.242 115.306 115.700 -0.254 0.000 2.517 12 S HA 0.176 4.645 4.470 -0.001 0.000 0.214 12 S C 0.520 174.384 174.600 -1.226 0.000 0.991 12 S CA 0.296 58.206 58.200 -0.484 0.000 0.906 12 S CB 0.917 64.022 63.200 -0.158 0.000 0.789 12 S HN 0.552 nan 8.310 nan 0.000 0.513 13 G N 1.034 109.315 108.800 -0.865 0.000 2.369 13 G HA2 0.115 4.074 3.960 -0.001 0.000 0.295 13 G HA3 0.115 4.074 3.960 -0.001 0.000 0.295 13 G C -1.835 172.973 174.900 -0.153 0.000 1.298 13 G CA -1.154 43.435 45.100 -0.851 0.000 0.940 13 G HN 0.099 nan 8.290 nan 0.000 0.536 14 K N -0.617 119.880 120.400 0.161 0.000 2.185 14 K HA 0.632 4.952 4.320 -0.001 0.000 0.271 14 K C -0.428 176.526 176.600 0.591 0.000 1.013 14 K CA -0.531 55.932 56.287 0.293 0.000 0.943 14 K CB 1.954 34.575 32.500 0.202 0.000 0.998 14 K HN 0.346 nan 8.250 nan 0.000 0.468 15 V N 3.139 123.335 119.914 0.469 0.000 2.735 15 V HA 0.362 4.482 4.120 -0.001 0.000 0.310 15 V C -0.889 175.501 176.094 0.494 0.000 1.061 15 V CA -0.958 61.683 62.300 0.568 0.000 0.913 15 V CB 1.829 34.041 31.823 0.649 0.000 1.005 15 V HN 0.760 nan 8.190 nan 0.000 0.428 16 M N 3.805 123.662 119.600 0.428 0.000 2.125 16 M HA 0.769 5.249 4.480 -0.001 0.000 0.321 16 M C 0.130 176.527 176.300 0.161 0.000 0.983 16 M CA 0.154 55.619 55.300 0.275 0.000 0.934 16 M CB 1.179 33.865 32.600 0.145 0.000 1.542 16 M HN 0.741 nan 8.290 nan 0.000 0.424 17 G N 1.561 110.303 108.800 -0.097 0.000 2.606 17 G HA2 0.666 4.626 3.960 -0.001 0.000 0.262 17 G HA3 0.666 4.626 3.960 -0.001 0.000 0.262 17 G C -1.039 173.648 174.900 -0.355 0.000 1.394 17 G CA -0.319 44.447 45.100 -0.557 0.000 1.044 17 G HN 0.694 nan 8.290 nan 0.000 0.553 18 T N -1.764 112.552 114.554 -0.396 0.000 2.900 18 T HA 0.541 4.890 4.350 -0.001 0.000 0.303 18 T C -0.858 173.726 174.700 -0.194 0.000 1.142 18 T CA -0.699 61.264 62.100 -0.228 0.000 1.007 18 T CB 1.702 70.466 68.868 -0.173 0.000 1.156 18 T HN 0.571 nan 8.240 nan 0.000 0.490 19 R N 2.149 122.578 120.500 -0.119 0.000 2.297 19 R HA 0.679 5.018 4.340 -0.001 0.000 0.308 19 R C -0.650 175.648 176.300 -0.003 0.000 1.029 19 R CA -0.536 55.526 56.100 -0.063 0.000 0.929 19 R CB 0.689 30.930 30.300 -0.097 0.000 1.046 19 R HN 0.570 nan 8.270 nan 0.000 0.461 20 V N 2.329 122.286 119.914 0.071 0.000 2.656 20 V HA 0.680 4.800 4.120 -0.001 0.000 0.307 20 V C -2.606 173.559 176.094 0.118 0.000 1.051 20 V CA -2.585 59.767 62.300 0.085 0.000 0.893 20 V CB 1.788 33.641 31.823 0.050 0.000 0.999 20 V HN 0.778 nan 8.190 nan 0.000 0.426 21 P HA 0.419 nan 4.420 nan 0.000 0.279 21 P C -0.898 176.240 177.300 -0.269 0.000 1.239 21 P CA -0.120 62.836 63.100 -0.241 0.000 0.789 21 P CB 2.020 33.613 31.700 -0.179 0.000 0.933 22 V N 5.635 125.306 119.914 -0.405 0.000 2.697 22 V HA 0.160 4.280 4.120 -0.001 0.000 0.300 22 V C 0.080 175.915 176.094 -0.432 0.000 1.115 22 V CA -0.848 61.222 62.300 -0.384 0.000 0.912 22 V CB 0.905 32.451 31.823 -0.460 0.000 1.024 22 V HN 0.508 nan 8.190 nan 0.000 0.431 23 L N 6.188 127.311 121.223 -0.167 0.000 3.854 23 L HA -0.211 4.128 4.340 -0.001 0.000 0.460 23 L C 1.007 177.785 176.870 -0.153 0.000 1.228 23 L CA 1.130 55.914 54.840 -0.094 0.000 0.760 23 L CB -1.650 40.426 42.059 0.029 0.000 1.597 23 L HN 1.729 nan 8.230 nan 0.000 0.852 24 S N -3.029 112.561 115.700 -0.183 0.000 3.561 24 S HA -0.223 4.247 4.470 -0.001 0.000 0.318 24 S C 0.144 174.604 174.600 -0.233 0.000 1.181 24 S CA 1.373 59.471 58.200 -0.170 0.000 0.916 24 S CB -1.165 61.993 63.200 -0.069 0.000 0.966 24 S HN 1.028 nan 8.310 nan 0.000 0.550 25 S N -0.753 114.691 115.700 -0.426 0.000 2.998 25 S HA 0.873 5.343 4.470 -0.001 0.000 0.321 25 S C -1.217 172.980 174.600 -0.671 0.000 1.171 25 S CA -0.267 57.690 58.200 -0.404 0.000 0.882 25 S CB 1.228 64.245 63.200 -0.306 0.000 1.301 25 S HN 0.786 nan 8.310 nan 0.000 0.629 26 H N -0.472 118.509 119.070 -0.149 0.000 3.016 26 H HA 0.751 5.307 4.556 -0.001 0.000 0.362 26 H C -0.682 174.645 175.328 -0.002 0.000 1.233 26 H CA -0.355 55.640 56.048 -0.087 0.000 1.124 26 H CB 1.569 31.311 29.762 -0.032 0.000 1.850 26 H HN 0.736 nan 8.280 nan 0.000 0.549 27 I N -2.241 118.431 120.570 0.171 0.000 3.279 27 I HA 0.682 4.851 4.170 -0.001 0.000 0.315 27 I C -1.122 175.091 176.117 0.161 0.000 1.225 27 I CA -0.991 60.426 61.300 0.194 0.000 0.947 27 I CB 2.508 40.651 38.000 0.239 0.000 1.293 27 I HN 0.408 nan 8.210 nan 0.000 0.468 28 S N 1.424 117.230 115.700 0.177 0.000 2.578 28 S HA 0.852 5.322 4.470 -0.001 0.000 0.283 28 S C -0.283 174.350 174.600 0.056 0.000 1.195 28 S CA -0.507 57.732 58.200 0.066 0.000 1.050 28 S CB 1.539 64.818 63.200 0.133 0.000 1.012 28 S HN 0.886 nan 8.310 nan 0.000 0.511 29 A N 1.985 124.679 122.820 -0.210 0.000 2.374 29 A HA 0.790 5.109 4.320 -0.001 0.000 0.305 29 A C -1.458 175.844 177.584 -0.470 0.000 1.053 29 A CA -0.632 51.224 52.037 -0.303 0.000 0.726 29 A CB 0.576 19.396 19.000 -0.301 0.000 1.229 29 A HN 0.641 nan 8.150 nan 0.000 0.431 30 F N 2.592 122.412 119.950 -0.217 0.000 2.430 30 F HA 0.494 5.021 4.527 -0.001 0.000 0.362 30 F C -0.178 175.507 175.800 -0.192 0.000 1.103 30 F CA -0.357 57.600 58.000 -0.073 0.000 1.045 30 F CB 1.414 40.478 39.000 0.107 0.000 1.276 30 F HN 0.368 nan 8.300 nan 0.000 0.444 31 L N 2.185 123.378 121.223 -0.049 0.000 2.322 31 L HA 0.711 5.050 4.340 -0.001 0.000 0.279 31 L C 0.932 177.841 176.870 0.064 0.000 1.036 31 L CA -1.054 53.747 54.840 -0.064 0.000 0.807 31 L CB 1.602 43.550 42.059 -0.184 0.000 1.226 31 L HN 0.825 nan 8.230 nan 0.000 0.433 32 G N 3.008 111.860 108.800 0.087 0.000 2.272 32 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.280 32 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.280 32 G C -0.172 174.796 174.900 0.113 0.000 1.067 32 G CA -0.297 44.850 45.100 0.077 0.000 0.902 32 G HN 0.473 nan 8.290 nan 0.000 0.500 33 I N 2.016 122.583 120.570 -0.004 0.000 2.416 33 I HA 0.254 4.423 4.170 -0.001 0.000 0.288 33 I C -1.415 174.489 176.117 -0.355 0.000 1.051 33 I CA -2.194 58.927 61.300 -0.300 0.000 1.375 33 I CB 1.278 39.105 38.000 -0.289 0.000 1.407 33 I HN 0.012 nan 8.210 nan 0.000 0.516 34 P HA 0.096 nan 4.420 nan 0.000 0.280 34 P C -0.378 176.555 177.300 -0.611 0.000 1.244 34 P CA -0.096 62.548 63.100 -0.760 0.000 0.784 34 P CB 0.774 31.928 31.700 -0.910 0.000 0.913 35 F N 0.724 120.337 119.950 -0.561 0.000 2.746 35 F HA 0.748 5.274 4.527 -0.001 0.000 0.320 35 F C -0.087 175.591 175.800 -0.203 0.000 1.097 35 F CA -0.938 56.788 58.000 -0.457 0.000 1.195 35 F CB 0.083 38.804 39.000 -0.466 0.000 1.056 35 F HN 0.367 nan 8.300 nan 0.000 0.562 36 A N -0.021 122.472 122.820 -0.544 0.000 2.606 36 A HA 0.610 4.930 4.320 -0.001 0.000 0.293 36 A C -0.962 176.427 177.584 -0.325 0.000 1.082 36 A CA -0.760 51.089 52.037 -0.313 0.000 0.685 36 A CB 1.095 19.888 19.000 -0.346 0.000 1.284 36 A HN 0.048 nan 8.150 nan 0.000 0.408 37 E N 0.880 120.982 120.200 -0.164 0.000 2.373 37 E HA 0.300 4.650 4.350 -0.001 0.000 0.267 37 E C -2.356 174.139 176.600 -0.174 0.000 1.032 37 E CA -1.461 54.861 56.400 -0.130 0.000 0.889 37 E CB 0.255 29.925 29.700 -0.051 0.000 0.984 37 E HN 0.235 nan 8.360 nan 0.000 0.425 38 P HA 0.018 nan 4.420 nan 0.000 0.261 38 P C -2.193 175.042 177.300 -0.109 0.000 1.203 38 P CA -0.701 62.313 63.100 -0.143 0.000 0.767 38 P CB 0.023 31.677 31.700 -0.078 0.000 0.785 39 P HA -0.006 nan 4.420 nan 0.000 0.226 39 P C -0.257 176.977 177.300 -0.110 0.000 1.783 39 P CA 0.203 63.243 63.100 -0.100 0.000 0.980 39 P CB -0.115 31.528 31.700 -0.096 0.000 1.967 40 V N -2.391 117.468 119.914 -0.092 0.000 3.177 40 V HA 0.886 5.006 4.120 -0.001 0.000 0.319 40 V C 1.034 177.081 176.094 -0.079 0.000 1.125 40 V CA 0.057 62.301 62.300 -0.094 0.000 1.029 40 V CB 0.730 32.507 31.823 -0.076 0.000 1.119 40 V HN 0.537 nan 8.190 nan 0.000 0.452 41 G N 1.740 110.493 108.800 -0.079 0.000 2.651 41 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.315 41 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.315 41 G C 0.601 175.462 174.900 -0.065 0.000 1.258 41 G CA 1.149 46.211 45.100 -0.063 0.000 1.002 41 G HN 1.110 nan 8.290 nan 0.000 0.551 42 N N 0.494 119.172 118.700 -0.037 0.000 2.519 42 N HA 0.084 4.824 4.740 -0.001 0.000 0.186 42 N C 2.240 177.740 175.510 -0.016 0.000 1.062 42 N CA 1.285 54.326 53.050 -0.016 0.000 0.910 42 N CB -0.139 38.352 38.487 0.006 0.000 0.958 42 N HN 0.524 nan 8.380 nan 0.000 0.445 43 M N -0.475 119.102 119.600 -0.039 0.000 2.556 43 M HA 0.036 4.516 4.480 -0.001 0.000 0.245 43 M C 0.599 176.855 176.300 -0.074 0.000 1.128 43 M CA -0.029 55.248 55.300 -0.038 0.000 1.069 43 M CB 0.276 32.851 32.600 -0.042 0.000 1.469 43 M HN -0.001 nan 8.290 nan 0.000 0.494 44 R N 0.656 121.064 120.500 -0.153 0.000 2.570 44 R HA -0.068 4.272 4.340 -0.001 0.000 0.277 44 R C -0.345 175.768 176.300 -0.312 0.000 1.039 44 R CA 0.653 56.538 56.100 -0.358 0.000 1.065 44 R CB 0.201 30.149 30.300 -0.586 0.000 0.964 44 R HN 0.234 nan 8.270 nan 0.000 0.428 45 F N -0.935 119.021 119.950 0.010 0.000 2.590 45 F HA -0.301 4.226 4.527 -0.001 0.000 0.471 45 F C 0.740 176.522 175.800 -0.030 0.000 0.551 45 F CA 1.274 59.254 58.000 -0.033 0.000 1.228 45 F CB -1.491 37.477 39.000 -0.053 0.000 1.862 45 F HN 0.640 nan 8.300 nan 0.000 0.271 46 R N 1.664 122.231 120.500 0.111 0.000 2.560 46 R HA 0.453 4.793 4.340 -0.001 0.000 0.270 46 R C 0.585 176.910 176.300 0.041 0.000 1.074 46 R CA -0.560 55.581 56.100 0.069 0.000 1.140 46 R CB 0.642 30.968 30.300 0.043 0.000 1.073 46 R HN 0.110 nan 8.270 nan 0.000 0.527 47 R N 2.584 123.107 120.500 0.039 0.000 2.679 47 R HA 0.073 4.412 4.340 -0.001 0.000 0.268 47 R C -1.898 174.422 176.300 0.033 0.000 1.044 47 R CA -0.970 55.153 56.100 0.038 0.000 1.105 47 R CB 0.047 30.374 30.300 0.045 0.000 0.989 47 R HN 0.511 nan 8.270 nan 0.000 0.447 48 P HA 0.078 nan 4.420 nan 0.000 0.274 48 P C -0.916 176.411 177.300 0.045 0.000 1.231 48 P CA -0.010 63.114 63.100 0.039 0.000 0.790 48 P CB 0.956 32.701 31.700 0.075 0.000 0.951 49 E N 1.752 121.969 120.200 0.027 0.000 2.227 49 E HA 0.448 4.797 4.350 -0.001 0.000 0.268 49 E C -2.393 174.235 176.600 0.046 0.000 0.907 49 E CA -2.522 53.900 56.400 0.036 0.000 0.786 49 E CB 0.610 30.323 29.700 0.023 0.000 1.191 49 E HN 0.298 nan 8.360 nan 0.000 0.411 50 P HA -0.007 nan 4.420 nan 0.000 0.266 50 P C -0.348 176.999 177.300 0.079 0.000 1.195 50 P CA -0.123 63.039 63.100 0.103 0.000 0.768 50 P CB 0.430 32.197 31.700 0.111 0.000 0.838 51 K N 3.536 123.989 120.400 0.088 0.000 2.412 51 K HA 0.067 4.386 4.320 -0.001 0.000 0.281 51 K C -0.247 176.439 176.600 0.143 0.000 1.027 51 K CA 0.272 56.606 56.287 0.078 0.000 0.989 51 K CB 0.008 32.541 32.500 0.055 0.000 0.935 51 K HN 0.217 nan 8.250 nan 0.000 0.475 52 K N 5.816 126.298 120.400 0.137 0.000 2.401 52 K HA 0.136 4.456 4.320 -0.001 0.000 0.278 52 K C -2.180 174.531 176.600 0.186 0.000 1.018 52 K CA -1.562 54.805 56.287 0.133 0.000 0.981 52 K CB 0.302 32.872 32.500 0.116 0.000 0.933 52 K HN 0.528 nan 8.250 nan 0.000 0.477 53 P HA -0.073 nan 4.420 nan 0.000 0.267 53 P C -1.310 176.030 177.300 0.066 0.000 1.201 53 P CA 0.032 63.069 63.100 -0.106 0.000 0.775 53 P CB 0.284 31.891 31.700 -0.156 0.000 0.854 54 W N 0.363 121.735 121.300 0.121 0.000 2.864 54 W HA 0.726 5.386 4.660 -0.001 0.000 0.343 54 W C -0.948 175.644 176.519 0.122 0.000 1.109 54 W CA -0.741 56.691 57.345 0.145 0.000 1.192 54 W CB 0.208 29.816 29.460 0.246 0.000 1.426 54 W HN 0.101 nan 8.180 nan 0.000 0.529 55 S N 1.248 117.136 115.700 0.314 0.000 2.693 55 S HA 0.768 5.237 4.470 -0.001 0.000 0.276 55 S C 0.538 175.325 174.600 0.313 0.000 1.192 55 S CA 0.591 58.914 58.200 0.204 0.000 0.994 55 S CB 0.835 64.113 63.200 0.129 0.000 1.012 55 S HN 1.523 nan 8.310 nan 0.000 0.550 56 G N -0.113 108.814 108.800 0.211 0.000 2.698 56 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.233 56 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.233 56 G C -0.922 174.161 174.900 0.305 0.000 1.352 56 G CA -0.390 44.832 45.100 0.203 0.000 0.879 56 G HN 0.981 nan 8.290 nan 0.000 0.567 57 V N 0.605 120.658 119.914 0.232 0.000 2.417 57 V HA 0.510 4.630 4.120 -0.001 0.000 0.291 57 V C 0.295 176.516 176.094 0.212 0.000 1.024 57 V CA -0.558 61.906 62.300 0.273 0.000 0.861 57 V CB 1.797 33.720 31.823 0.168 0.000 0.985 57 V HN 0.726 nan 8.190 nan 0.000 0.436 58 W N 5.354 126.735 121.300 0.136 0.000 2.311 58 W HA 0.235 4.894 4.660 -0.001 0.000 0.310 58 W C 0.189 176.700 176.519 -0.013 0.000 1.274 58 W CA -0.406 56.868 57.345 -0.119 0.000 1.215 58 W CB 0.896 30.116 29.460 -0.400 0.000 1.227 58 W HN 0.646 nan 8.180 nan 0.000 0.523 59 N N 4.783 123.268 118.700 -0.359 0.000 2.399 59 N HA 0.191 4.931 4.740 -0.001 0.000 0.259 59 N C -0.452 175.059 175.510 0.001 0.000 1.160 59 N CA 0.203 53.159 53.050 -0.156 0.000 0.946 59 N CB 0.867 39.200 38.487 -0.256 0.000 1.156 59 N HN 0.378 nan 8.380 nan 0.000 0.489 60 A N 2.777 125.717 122.820 0.200 0.000 3.106 60 A HA 0.194 4.513 4.320 -0.001 0.000 0.306 60 A C 1.034 178.638 177.584 0.034 0.000 1.192 60 A CA -0.416 51.763 52.037 0.237 0.000 0.994 60 A CB -0.484 18.752 19.000 0.394 0.000 1.107 60 A HN 0.627 nan 8.150 nan 0.000 0.585 61 S N -0.921 114.755 115.700 -0.039 0.000 2.524 61 S HA 0.165 4.635 4.470 -0.001 0.000 0.215 61 S C 0.743 175.260 174.600 -0.139 0.000 0.986 61 S CA 0.595 58.729 58.200 -0.111 0.000 0.911 61 S CB -0.271 62.867 63.200 -0.104 0.000 0.805 61 S HN 0.823 nan 8.310 nan 0.000 0.501 62 T N -1.106 113.381 114.554 -0.111 0.000 2.906 62 T HA 0.638 4.988 4.350 -0.001 0.000 0.295 62 T C -0.846 173.822 174.700 -0.052 0.000 1.061 62 T CA -0.773 61.254 62.100 -0.121 0.000 1.000 62 T CB 0.688 69.508 68.868 -0.080 0.000 1.103 62 T HN 0.054 nan 8.240 nan 0.000 0.486 63 Y N 2.720 122.993 120.300 -0.045 0.000 2.652 63 Y HA 0.329 4.879 4.550 -0.001 0.000 0.344 63 Y C -1.351 174.488 175.900 -0.101 0.000 1.254 63 Y CA -1.251 56.823 58.100 -0.044 0.000 1.480 63 Y CB 0.059 38.513 38.460 -0.009 0.000 1.345 63 Y HN 0.551 nan 8.280 nan 0.000 0.617 64 P HA 0.131 nan 4.420 nan 0.000 0.284 64 P C -0.658 176.568 177.300 -0.123 0.000 1.292 64 P CA -0.560 62.419 63.100 -0.203 0.000 0.800 64 P CB 1.017 32.493 31.700 -0.372 0.000 1.188 65 N N 0.110 118.712 118.700 -0.163 0.000 2.354 65 N HA 0.124 4.863 4.740 -0.001 0.000 0.246 65 N C 0.011 175.496 175.510 -0.042 0.000 1.285 65 N CA 0.154 53.156 53.050 -0.079 0.000 0.925 65 N CB -0.063 38.387 38.487 -0.063 0.000 1.174 65 N HN 0.418 nan 8.380 nan 0.000 0.478 66 N N -0.661 118.007 118.700 -0.053 0.000 2.466 66 N HA 0.424 5.164 4.740 -0.001 0.000 0.294 66 N C 0.189 175.668 175.510 -0.053 0.000 1.129 66 N CA -0.772 52.243 53.050 -0.059 0.000 0.931 66 N CB 1.118 39.547 38.487 -0.096 0.000 1.193 66 N HN 0.628 nan 8.380 nan 0.000 0.500 67 C N 1.084 120.357 119.300 -0.045 0.000 2.703 67 C HA 0.081 4.540 4.460 -0.001 0.000 0.411 67 C C 0.904 175.837 174.990 -0.096 0.000 1.290 67 C CA -0.031 58.946 59.018 -0.068 0.000 2.054 67 C CB -0.187 27.539 27.740 -0.024 0.000 2.732 67 C HN 0.511 nan 8.230 nan 0.000 0.650 68 Q N 2.607 122.281 119.800 -0.209 0.000 2.274 68 Q HA 0.361 4.701 4.340 -0.001 0.000 0.280 68 Q C -0.014 175.999 176.000 0.022 0.000 1.047 68 Q CA 1.059 56.737 55.803 -0.208 0.000 0.907 68 Q CB 0.704 29.073 28.738 -0.615 0.000 1.171 68 Q HN 0.934 nan 8.270 nan 0.000 0.381 69 Q N 1.336 121.213 119.800 0.128 0.000 2.630 69 Q HA 0.327 4.667 4.340 -0.001 0.000 0.295 69 Q C -1.300 174.886 176.000 0.311 0.000 0.944 69 Q CA -1.024 54.939 55.803 0.266 0.000 0.766 69 Q CB 0.802 29.657 28.738 0.195 0.000 1.471 69 Q HN 0.461 nan 8.270 nan 0.000 0.416 70 Y N 0.914 121.412 120.300 0.331 0.000 2.497 70 Y HA 0.405 4.954 4.550 -0.001 0.000 0.334 70 Y C -1.060 175.024 175.900 0.308 0.000 1.199 70 Y CA 0.169 58.487 58.100 0.364 0.000 1.425 70 Y CB 0.998 39.779 38.460 0.535 0.000 1.291 70 Y HN 0.436 nan 8.280 nan 0.000 0.562 71 V N 6.579 126.178 119.914 -0.525 0.000 2.409 71 V HA 0.141 4.261 4.120 -0.001 0.000 0.291 71 V C -0.709 175.079 176.094 -0.510 0.000 1.020 71 V CA -1.062 61.042 62.300 -0.327 0.000 0.848 71 V CB 1.457 33.188 31.823 -0.152 0.000 0.990 71 V HN 0.785 nan 8.190 nan 0.000 0.430 72 D N 3.655 123.987 120.400 -0.114 0.000 2.371 72 D HA 0.146 4.785 4.640 -0.001 0.000 0.256 72 D C 0.527 176.887 176.300 0.099 0.000 1.193 72 D CA 0.400 54.460 54.000 0.100 0.000 0.881 72 D CB 1.003 42.025 40.800 0.370 0.000 1.143 72 D HN 0.678 nan 8.370 nan 0.000 0.473 73 E N 2.226 122.465 120.200 0.065 0.000 2.758 73 E HA -0.034 4.315 4.350 -0.001 0.000 0.215 73 E C 0.763 177.351 176.600 -0.021 0.000 0.985 73 E CA -0.111 56.312 56.400 0.039 0.000 1.102 73 E CB 0.616 30.312 29.700 -0.006 0.000 1.042 73 E HN 0.379 nan 8.360 nan 0.000 0.480 74 Q N -0.033 119.726 119.800 -0.068 0.000 2.226 74 Q HA -0.081 4.259 4.340 -0.001 0.000 0.204 74 Q C -0.303 175.223 176.000 -0.790 0.000 0.975 74 Q CA 1.347 56.856 55.803 -0.490 0.000 0.866 74 Q CB 0.156 28.431 28.738 -0.772 0.000 0.915 74 Q HN 0.123 nan 8.270 nan 0.000 0.440 75 F N 0.039 120.035 119.950 0.076 0.000 2.710 75 F HA 0.401 4.928 4.527 -0.001 0.000 0.345 75 F C -2.271 173.594 175.800 0.108 0.000 1.362 75 F CA -2.918 55.110 58.000 0.046 0.000 1.175 75 F CB 1.085 40.108 39.000 0.039 0.000 1.561 75 F HN -0.148 nan 8.300 nan 0.000 0.593 76 P HA 0.124 nan 4.420 nan 0.000 0.260 76 P C 1.055 178.439 177.300 0.141 0.000 1.172 76 P CA 1.606 64.783 63.100 0.127 0.000 0.760 76 P CB 0.632 32.371 31.700 0.064 0.000 0.773 77 G N 3.100 111.973 108.800 0.120 0.000 2.363 77 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.238 77 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.238 77 G C 0.177 175.149 174.900 0.120 0.000 1.062 77 G CA -0.301 44.853 45.100 0.091 0.000 0.629 77 G HN 0.551 nan 8.290 nan 0.000 0.514 78 F N 3.725 123.669 119.950 -0.010 0.000 2.590 78 F HA 0.399 4.925 4.527 -0.001 0.000 0.389 78 F C 1.840 177.575 175.800 -0.108 0.000 1.049 78 F CA 0.282 58.222 58.000 -0.099 0.000 1.199 78 F CB 0.843 39.768 39.000 -0.124 0.000 1.058 78 F HN 0.340 nan 8.300 nan 0.000 0.556 79 S N 3.431 118.792 115.700 -0.564 0.000 2.399 79 S HA -0.106 4.364 4.470 -0.001 0.000 0.231 79 S C 2.294 176.500 174.600 -0.656 0.000 1.022 79 S CA 0.763 58.657 58.200 -0.510 0.000 0.983 79 S CB -1.195 61.746 63.200 -0.431 0.000 0.803 79 S HN 0.809 nan 8.310 nan 0.000 0.480 80 G N 1.822 109.759 108.800 -1.438 0.000 2.469 80 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.220 80 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.220 80 G C 1.697 176.728 174.900 0.219 0.000 1.136 80 G CA 1.441 45.900 45.100 -1.068 0.000 0.759 80 G HN 0.818 nan 8.290 nan 0.000 0.562 81 S N -0.744 115.130 115.700 0.290 0.000 2.527 81 S HA 0.179 4.648 4.470 -0.001 0.000 0.227 81 S C 1.750 176.634 174.600 0.474 0.000 1.059 81 S CA 0.587 59.295 58.200 0.846 0.000 0.919 81 S CB 0.126 63.974 63.200 1.080 0.000 0.805 81 S HN 0.422 nan 8.310 nan 0.000 0.500 82 E N 1.825 122.140 120.200 0.191 0.000 2.347 82 E HA -0.002 4.348 4.350 -0.001 0.000 0.196 82 E C 1.927 178.483 176.600 -0.073 0.000 1.008 82 E CA 1.084 57.530 56.400 0.076 0.000 0.852 82 E CB -0.373 29.343 29.700 0.027 0.000 0.783 82 E HN 0.834 nan 8.360 nan 0.000 0.505 83 M N -1.910 117.550 119.600 -0.232 0.000 2.549 83 M HA -0.036 4.444 4.480 -0.001 0.000 0.260 83 M C 0.904 176.812 176.300 -0.653 0.000 1.076 83 M CA 1.259 56.260 55.300 -0.499 0.000 1.090 83 M CB -0.256 31.926 32.600 -0.697 0.000 1.418 83 M HN 0.034 nan 8.290 nan 0.000 0.486 84 W N 0.782 122.037 121.300 -0.075 0.000 3.013 84 W HA 0.278 4.938 4.660 -0.001 0.000 0.280 84 W C 0.458 176.909 176.519 -0.113 0.000 1.249 84 W CA -0.887 56.382 57.345 -0.127 0.000 1.577 84 W CB -0.027 29.384 29.460 -0.082 0.000 1.057 84 W HN 0.098 nan 8.180 nan 0.000 0.613 85 N N 1.506 120.262 118.700 0.094 0.000 2.444 85 N HA 0.127 4.866 4.740 -0.001 0.000 0.255 85 N C -2.484 173.001 175.510 -0.042 0.000 1.255 85 N CA -1.383 51.692 53.050 0.041 0.000 0.933 85 N CB -0.281 38.233 38.487 0.046 0.000 1.143 85 N HN -0.351 nan 8.380 nan 0.000 0.453 86 P HA 0.051 nan 4.420 nan 0.000 0.264 86 P C 0.189 177.439 177.300 -0.083 0.000 1.193 86 P CA 0.022 63.071 63.100 -0.085 0.000 0.763 86 P CB 0.251 31.912 31.700 -0.065 0.000 0.810 87 N N 2.694 121.329 118.700 -0.108 0.000 2.214 87 N HA 0.066 4.805 4.740 -0.001 0.000 0.214 87 N C 0.134 175.603 175.510 -0.068 0.000 1.132 87 N CA 0.060 53.055 53.050 -0.091 0.000 0.856 87 N CB 0.326 38.746 38.487 -0.112 0.000 1.020 87 N HN 0.178 nan 8.380 nan 0.000 0.509 88 R N -0.115 120.342 120.500 -0.071 0.000 2.855 88 R HA 0.318 4.658 4.340 -0.001 0.000 0.266 88 R C -0.742 175.527 176.300 -0.051 0.000 1.034 88 R CA -0.766 55.303 56.100 -0.053 0.000 0.944 88 R CB 0.935 31.200 30.300 -0.059 0.000 1.219 88 R HN 0.078 nan 8.270 nan 0.000 0.474 89 E N 1.221 121.395 120.200 -0.045 0.000 2.452 89 E HA 0.014 4.364 4.350 -0.001 0.000 0.261 89 E C -0.173 176.397 176.600 -0.051 0.000 0.987 89 E CA 0.546 56.920 56.400 -0.044 0.000 0.926 89 E CB 0.501 30.175 29.700 -0.042 0.000 0.934 89 E HN 0.230 nan 8.360 nan 0.000 0.452 90 M N 2.058 121.628 119.600 -0.050 0.000 2.288 90 M HA 0.298 4.777 4.480 -0.001 0.000 0.334 90 M C -0.134 176.122 176.300 -0.073 0.000 1.150 90 M CA -0.015 55.248 55.300 -0.062 0.000 1.118 90 M CB 1.453 34.019 32.600 -0.056 0.000 1.501 90 M HN 0.409 nan 8.290 nan 0.000 0.462 91 S N 0.157 115.800 115.700 -0.094 0.000 2.552 91 S HA 0.212 4.682 4.470 -0.001 0.000 0.272 91 S C -0.050 174.459 174.600 -0.152 0.000 1.150 91 S CA -0.681 57.457 58.200 -0.104 0.000 0.849 91 S CB 1.496 64.662 63.200 -0.057 0.000 1.113 91 S HN 0.835 nan 8.310 nan 0.000 0.458 92 E N 0.839 120.922 120.200 -0.194 0.000 2.274 92 E HA -0.066 4.284 4.350 -0.001 0.000 0.194 92 E C -0.309 176.207 176.600 -0.140 0.000 0.996 92 E CA 0.514 56.765 56.400 -0.248 0.000 0.840 92 E CB 0.118 29.656 29.700 -0.269 0.000 0.772 92 E HN 0.535 nan 8.360 nan 0.000 0.491 93 D N -0.515 119.843 120.400 -0.070 0.000 2.470 93 D HA 0.048 4.687 4.640 -0.001 0.000 0.226 93 D C -0.060 176.314 176.300 0.123 0.000 1.196 93 D CA -0.056 53.945 54.000 0.002 0.000 0.979 93 D CB 0.141 40.971 40.800 0.049 0.000 1.059 93 D HN 0.258 nan 8.370 nan 0.000 0.515 94 C N 4.582 123.912 119.300 0.050 0.000 3.772 94 C HA 0.314 4.774 4.460 -0.001 0.000 0.293 94 C C 0.819 175.851 174.990 0.070 0.000 1.659 94 C CA -0.454 58.659 59.018 0.159 0.000 1.810 94 C CB -0.552 27.218 27.740 0.050 0.000 3.059 94 C HN 0.525 nan 8.230 nan 0.000 0.617 95 L N 2.254 123.255 121.223 -0.371 0.000 2.395 95 L HA 0.394 4.733 4.340 -0.001 0.000 0.268 95 L C -0.883 175.228 176.870 -1.264 0.000 1.223 95 L CA 0.337 54.729 54.840 -0.747 0.000 1.093 95 L CB -1.028 40.453 42.059 -0.964 0.000 1.349 95 L HN 0.461 nan 8.230 nan 0.000 0.427 96 Y N 1.946 122.091 120.300 -0.259 0.000 2.605 96 Y HA 0.685 5.235 4.550 -0.001 0.000 0.343 96 Y C -0.082 175.950 175.900 0.220 0.000 1.036 96 Y CA -1.306 56.724 58.100 -0.115 0.000 1.065 96 Y CB 1.860 40.265 38.460 -0.093 0.000 1.288 96 Y HN 0.200 nan 8.280 nan 0.000 0.481 97 L N -0.272 121.122 121.223 0.285 0.000 2.327 97 L HA 0.782 5.121 4.340 -0.001 0.000 0.258 97 L C -1.350 175.572 176.870 0.086 0.000 1.024 97 L CA -1.096 53.858 54.840 0.189 0.000 0.825 97 L CB 1.887 43.986 42.059 0.067 0.000 1.386 97 L HN 0.465 nan 8.230 nan 0.000 0.417 98 N N 1.564 120.313 118.700 0.081 0.000 2.284 98 N HA 0.704 5.444 4.740 -0.001 0.000 0.300 98 N C -1.343 174.074 175.510 -0.155 0.000 1.047 98 N CA -0.198 52.803 53.050 -0.082 0.000 0.821 98 N CB 2.678 41.113 38.487 -0.087 0.000 1.337 98 N HN 0.658 nan 8.380 nan 0.000 0.482 99 I N 0.600 120.996 120.570 -0.289 0.000 2.466 99 I HA 0.383 4.552 4.170 -0.001 0.000 0.289 99 I C -0.753 175.274 176.117 -0.150 0.000 1.026 99 I CA -0.713 60.505 61.300 -0.137 0.000 1.078 99 I CB 2.201 40.068 38.000 -0.222 0.000 1.249 99 I HN 0.238 nan 8.210 nan 0.000 0.429 100 W N 6.023 127.459 121.300 0.226 0.000 2.376 100 W HA 0.561 5.221 4.660 -0.001 0.000 0.312 100 W C -0.968 175.695 176.519 0.240 0.000 1.060 100 W CA -0.613 56.865 57.345 0.223 0.000 1.221 100 W CB 2.069 31.634 29.460 0.175 0.000 1.281 100 W HN 0.089 nan 8.180 nan 0.000 0.456 101 V N 5.399 125.579 119.914 0.444 0.000 2.495 101 V HA 0.296 4.416 4.120 -0.001 0.000 0.298 101 V C -1.940 174.351 176.094 0.329 0.000 1.031 101 V CA -2.348 60.183 62.300 0.386 0.000 0.871 101 V CB 1.891 33.995 31.823 0.467 0.000 0.988 101 V HN 0.251 nan 8.190 nan 0.000 0.432 102 P HA 0.115 nan 4.420 nan 0.000 0.270 102 P C -0.570 176.863 177.300 0.222 0.000 1.227 102 P CA 0.135 63.380 63.100 0.241 0.000 0.788 102 P CB 0.488 32.298 31.700 0.182 0.000 0.926 103 S N 0.535 116.361 115.700 0.210 0.000 2.594 103 S HA 0.530 4.999 4.470 -0.001 0.000 0.296 103 S C -2.588 172.102 174.600 0.151 0.000 1.124 103 S CA -1.410 56.895 58.200 0.175 0.000 1.011 103 S CB 0.193 63.496 63.200 0.173 0.000 1.016 103 S HN 0.264 nan 8.310 nan 0.000 0.485 104 P HA 0.193 nan 4.420 nan 0.000 0.271 104 P C -0.465 176.908 177.300 0.122 0.000 1.218 104 P CA -0.578 62.588 63.100 0.110 0.000 0.780 104 P CB 0.413 32.164 31.700 0.084 0.000 0.901 105 R N 2.760 123.340 120.500 0.133 0.000 2.504 105 R HA 0.061 4.401 4.340 -0.001 0.000 0.291 105 R C -1.912 174.456 176.300 0.113 0.000 0.974 105 R CA -0.777 55.411 56.100 0.147 0.000 1.077 105 R CB -0.428 29.963 30.300 0.151 0.000 0.926 105 R HN 0.371 nan 8.270 nan 0.000 0.407 106 P HA 0.086 nan 4.420 nan 0.000 0.273 106 P C -0.230 177.109 177.300 0.064 0.000 1.250 106 P CA -0.418 62.731 63.100 0.083 0.000 0.793 106 P CB 0.701 32.454 31.700 0.087 0.000 1.011 107 K N -0.595 119.830 120.400 0.042 0.000 2.190 107 K HA 0.152 4.472 4.320 -0.001 0.000 0.202 107 K C 0.584 177.187 176.600 0.005 0.000 1.045 107 K CA 0.983 57.284 56.287 0.022 0.000 0.976 107 K CB -0.293 32.216 32.500 0.015 0.000 0.849 107 K HN 0.322 nan 8.250 nan 0.000 0.468 108 S N 0.996 116.700 115.700 0.006 0.000 2.680 108 S HA 0.140 4.610 4.470 -0.001 0.000 0.140 108 S C -0.967 173.633 174.600 0.001 0.000 1.357 108 S CA -0.339 57.855 58.200 -0.010 0.000 1.201 108 S CB 0.310 63.493 63.200 -0.028 0.000 1.547 108 S HN 0.161 nan 8.310 nan 0.000 0.411 109 T N 1.719 116.285 114.554 0.019 0.000 2.936 109 T HA 0.556 4.905 4.350 -0.001 0.000 0.282 109 T C 0.260 174.972 174.700 0.021 0.000 1.003 109 T CA -0.019 62.095 62.100 0.024 0.000 1.005 109 T CB 1.039 69.933 68.868 0.044 0.000 1.097 109 T HN 0.417 nan 8.240 nan 0.000 0.532 110 T N 2.318 116.880 114.554 0.014 0.000 2.934 110 T HA 0.301 4.651 4.350 -0.001 0.000 0.306 110 T C -0.260 174.461 174.700 0.034 0.000 1.042 110 T CA -0.204 61.901 62.100 0.007 0.000 1.145 110 T CB 0.214 69.074 68.868 -0.013 0.000 0.982 110 T HN 0.416 nan 8.240 nan 0.000 0.544 111 V N 4.840 124.777 119.914 0.039 0.000 2.513 111 V HA 0.521 4.641 4.120 -0.001 0.000 0.299 111 V C -0.025 176.121 176.094 0.086 0.000 1.035 111 V CA -0.785 61.561 62.300 0.076 0.000 0.889 111 V CB 1.739 33.609 31.823 0.078 0.000 0.988 111 V HN 0.832 nan 8.190 nan 0.000 0.440 112 M N 4.343 124.025 119.600 0.137 0.000 2.197 112 M HA 0.538 5.018 4.480 -0.001 0.000 0.301 112 M C -1.352 175.183 176.300 0.392 0.000 0.987 112 M CA -0.607 54.797 55.300 0.174 0.000 0.921 112 M CB 2.213 34.815 32.600 0.002 0.000 1.569 112 M HN 0.359 nan 8.290 nan 0.000 0.431 113 V N 3.263 123.439 119.914 0.436 0.000 2.357 113 V HA 0.345 4.465 4.120 -0.001 0.000 0.284 113 V C -0.740 175.641 176.094 0.478 0.000 1.018 113 V CA -0.602 61.936 62.300 0.397 0.000 0.841 113 V CB 1.461 33.391 31.823 0.178 0.000 0.991 113 V HN 0.859 nan 8.190 nan 0.000 0.437 114 W N 7.049 128.443 121.300 0.156 0.000 2.351 114 W HA 0.639 5.298 4.660 -0.001 0.000 0.311 114 W C -1.352 175.057 176.519 -0.184 0.000 1.168 114 W CA -0.776 56.400 57.345 -0.282 0.000 1.200 114 W CB 1.222 30.540 29.460 -0.237 0.000 1.221 114 W HN 0.435 nan 8.180 nan 0.000 0.519 115 I N 9.023 128.963 120.570 -1.049 0.000 2.382 115 I HA 0.079 4.248 4.170 -0.001 0.000 0.285 115 I C -0.289 175.029 176.117 -1.332 0.000 1.007 115 I CA -1.143 59.619 61.300 -0.896 0.000 1.142 115 I CB 0.793 38.444 38.000 -0.582 0.000 1.289 115 I HN 0.307 nan 8.210 nan 0.000 0.453 116 Y N 4.590 124.393 120.300 -0.829 0.000 2.457 116 Y HA 0.671 5.221 4.550 -0.001 0.000 0.341 116 Y C 0.736 176.459 175.900 -0.296 0.000 1.240 116 Y CA -0.824 56.908 58.100 -0.613 0.000 1.437 116 Y CB -0.039 38.300 38.460 -0.201 0.000 1.328 116 Y HN 0.533 nan 8.280 nan 0.000 0.588 117 G N -0.708 108.106 108.800 0.023 0.000 2.583 117 G HA2 0.493 4.452 3.960 -0.001 0.000 0.280 117 G HA3 0.493 4.452 3.960 -0.001 0.000 0.280 117 G C 0.290 175.144 174.900 -0.076 0.000 1.376 117 G CA -0.920 44.124 45.100 -0.092 0.000 1.043 117 G HN 1.716 nan 8.290 nan 0.000 0.538 118 G N -2.928 105.673 108.800 -0.332 0.000 2.207 118 G HA2 0.408 4.368 3.960 -0.001 0.000 0.193 118 G HA3 0.408 4.368 3.960 -0.001 0.000 0.193 118 G C 1.041 175.413 174.900 -0.880 0.000 1.050 118 G CA 0.737 45.513 45.100 -0.541 0.000 0.780 118 G HN 2.317 nan 8.290 nan 0.000 0.504 119 G N -0.457 107.854 108.800 -0.815 0.000 2.187 119 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.261 119 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.261 119 G C 0.909 175.563 174.900 -0.411 0.000 1.000 119 G CA 0.795 45.284 45.100 -1.018 0.000 0.718 119 G HN 1.733 nan 8.290 nan 0.000 0.519 120 F N -3.382 116.461 119.950 -0.177 0.000 2.871 120 F HA -0.301 4.226 4.527 -0.001 0.000 0.326 120 F C 1.413 177.280 175.800 0.110 0.000 0.675 120 F CA 2.120 60.104 58.000 -0.026 0.000 1.188 120 F CB -2.070 36.763 39.000 -0.277 0.000 1.567 120 F HN 0.954 nan 8.300 nan 0.000 0.325 121 Y N -1.136 119.217 120.300 0.088 0.000 2.527 121 Y HA 0.671 5.220 4.550 -0.001 0.000 0.247 121 Y C 0.564 176.561 175.900 0.162 0.000 1.138 121 Y CA 0.205 58.385 58.100 0.132 0.000 1.228 121 Y CB -0.014 38.442 38.460 -0.007 0.000 1.252 121 Y HN 0.092 nan 8.280 nan 0.000 0.531 122 S N -0.846 114.673 115.700 -0.302 0.000 2.727 122 S HA 0.877 5.347 4.470 -0.001 0.000 0.278 122 S C -0.199 174.272 174.600 -0.215 0.000 1.186 122 S CA -0.558 57.516 58.200 -0.210 0.000 0.836 122 S CB 1.386 64.383 63.200 -0.339 0.000 1.186 122 S HN 1.344 nan 8.310 nan 0.000 0.499 123 G N -0.368 108.276 108.800 -0.260 0.000 2.528 123 G HA2 0.417 4.377 3.960 -0.001 0.000 0.681 123 G HA3 0.417 4.377 3.960 -0.001 0.000 0.681 123 G C -0.974 173.333 174.900 -0.988 0.000 1.340 123 G CA -0.328 44.459 45.100 -0.523 0.000 0.855 123 G HN 1.362 nan 8.290 nan 0.000 0.649 124 S N -0.826 114.253 115.700 -1.035 0.000 2.556 124 S HA 0.724 5.193 4.470 -0.001 0.000 0.271 124 S C 0.937 175.308 174.600 -0.382 0.000 1.135 124 S CA 0.085 57.861 58.200 -0.706 0.000 0.858 124 S CB 1.836 64.851 63.200 -0.308 0.000 1.114 124 S HN 1.967 nan 8.310 nan 0.000 0.468 125 S N -0.321 115.352 115.700 -0.044 0.000 2.548 125 S HA -0.027 4.443 4.470 -0.001 0.000 0.215 125 S C 1.279 175.952 174.600 0.122 0.000 0.976 125 S CA 0.714 59.087 58.200 0.289 0.000 0.908 125 S CB -0.548 62.881 63.200 0.381 0.000 0.781 125 S HN 0.831 nan 8.310 nan 0.000 0.519 126 T N 0.168 114.610 114.554 -0.185 0.000 3.105 126 T HA 0.421 4.770 4.350 -0.001 0.000 0.253 126 T C 0.468 174.911 174.700 -0.428 0.000 1.047 126 T CA -0.563 61.142 62.100 -0.658 0.000 0.944 126 T CB -0.573 67.742 68.868 -0.922 0.000 1.016 126 T HN 0.311 nan 8.240 nan 0.000 0.544 127 L N 1.887 122.961 121.223 -0.248 0.000 2.483 127 L HA 0.195 4.535 4.340 -0.001 0.000 0.275 127 L C 1.323 177.977 176.870 -0.361 0.000 1.220 127 L CA -0.571 54.044 54.840 -0.375 0.000 0.833 127 L CB 0.365 42.042 42.059 -0.637 0.000 1.102 127 L HN 0.070 nan 8.230 nan 0.000 0.490 128 D N 1.022 121.218 120.400 -0.338 0.000 2.178 128 D HA -0.133 4.506 4.640 -0.001 0.000 0.201 128 D C 1.969 178.061 176.300 -0.346 0.000 0.980 128 D CA 1.321 55.174 54.000 -0.246 0.000 0.842 128 D CB -0.031 40.643 40.800 -0.209 0.000 0.948 128 D HN 0.531 nan 8.370 nan 0.000 0.472 129 V N -1.393 118.168 119.914 -0.587 0.000 3.141 129 V HA -0.138 3.982 4.120 -0.001 0.000 0.265 129 V C 1.146 176.744 176.094 -0.828 0.000 1.126 129 V CA 0.965 62.874 62.300 -0.651 0.000 1.141 129 V CB -1.079 30.264 31.823 -0.800 0.000 0.743 129 V HN 0.038 nan 8.190 nan 0.000 0.492 130 Y N 0.118 119.956 120.300 -0.770 0.000 2.555 130 Y HA 0.440 4.990 4.550 -0.001 0.000 0.259 130 Y C 1.051 176.488 175.900 -0.772 0.000 1.179 130 Y CA -1.786 55.577 58.100 -1.228 0.000 1.230 130 Y CB -0.893 37.188 38.460 -0.632 0.000 1.146 130 Y HN 0.250 nan 8.280 nan 0.000 0.526 131 N N 1.413 119.899 118.700 -0.358 0.000 2.427 131 N HA -0.013 4.727 4.740 -0.001 0.000 0.269 131 N C 1.310 176.471 175.510 -0.582 0.000 1.235 131 N CA 0.547 53.377 53.050 -0.366 0.000 0.934 131 N CB 1.184 39.562 38.487 -0.182 0.000 1.121 131 N HN 0.495 nan 8.380 nan 0.000 0.480 132 G N 3.292 111.222 108.800 -1.451 0.000 2.848 132 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.208 132 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.208 132 G C 1.443 175.805 174.900 -0.898 0.000 1.152 132 G CA 0.342 44.875 45.100 -0.945 0.000 0.789 132 G HN 0.741 nan 8.290 nan 0.000 0.531 133 K N -0.471 119.179 120.400 -1.251 0.000 2.097 133 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 133 K C 1.755 178.166 176.600 -0.316 0.000 1.049 133 K CA 1.078 56.973 56.287 -0.653 0.000 0.933 133 K CB -0.499 31.654 32.500 -0.579 0.000 0.717 133 K HN 0.295 nan 8.250 nan 0.000 0.442 134 Y N 1.279 121.512 120.300 -0.111 0.000 2.163 134 Y HA -0.140 4.410 4.550 -0.001 0.000 0.288 134 Y C 2.375 178.294 175.900 0.032 0.000 1.136 134 Y CA 0.869 58.967 58.100 -0.005 0.000 1.147 134 Y CB -0.701 37.731 38.460 -0.047 0.000 0.987 134 Y HN 0.051 nan 8.280 nan 0.000 0.509 135 L N 0.254 121.548 121.223 0.120 0.000 2.056 135 L HA -0.049 4.290 4.340 -0.001 0.000 0.207 135 L C 2.294 179.200 176.870 0.060 0.000 1.078 135 L CA 1.928 56.788 54.840 0.033 0.000 0.749 135 L CB -1.152 40.850 42.059 -0.094 0.000 0.901 135 L HN 0.134 nan 8.230 nan 0.000 0.433 136 A N -1.490 121.384 122.820 0.090 0.000 1.930 136 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 136 A C 2.266 179.955 177.584 0.175 0.000 1.175 136 A CA 1.715 53.844 52.037 0.155 0.000 0.627 136 A CB -1.060 18.088 19.000 0.248 0.000 0.815 136 A HN 0.623 nan 8.150 nan 0.000 0.443 137 Y N 1.175 121.509 120.300 0.057 0.000 2.130 137 Y HA -0.139 4.411 4.550 -0.001 0.000 0.287 137 Y C 2.639 178.573 175.900 0.056 0.000 1.124 137 Y CA 2.299 60.434 58.100 0.059 0.000 1.118 137 Y CB -0.825 37.657 38.460 0.036 0.000 0.994 137 Y HN 0.285 nan 8.280 nan 0.000 0.497 138 T N 0.505 115.023 114.554 -0.061 0.000 2.788 138 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 138 T C 1.337 175.970 174.700 -0.111 0.000 1.044 138 T CA 1.766 63.772 62.100 -0.157 0.000 1.139 138 T CB -0.115 68.752 68.868 -0.000 0.000 0.867 138 T HN 0.341 nan 8.240 nan 0.000 0.454 139 E N 0.513 120.695 120.200 -0.030 0.000 2.481 139 E HA 0.099 4.449 4.350 -0.001 0.000 0.198 139 E C -0.024 176.581 176.600 0.009 0.000 1.027 139 E CA 0.053 56.459 56.400 0.011 0.000 0.900 139 E CB 0.194 29.915 29.700 0.035 0.000 0.993 139 E HN 0.617 nan 8.360 nan 0.000 0.482 140 E N 0.120 120.319 120.200 -0.001 0.000 2.246 140 E HA -0.156 4.194 4.350 -0.001 0.000 0.211 140 E C -0.268 176.367 176.600 0.059 0.000 1.278 140 E CA 0.416 56.833 56.400 0.030 0.000 0.694 140 E CB -2.021 27.685 29.700 0.010 0.000 1.166 140 E HN 0.130 nan 8.360 nan 0.000 0.370 141 V N -3.572 116.392 119.914 0.083 0.000 3.040 141 V HA 0.697 4.817 4.120 -0.001 0.000 0.312 141 V C 0.291 176.472 176.094 0.145 0.000 1.115 141 V CA -1.180 61.174 62.300 0.090 0.000 0.998 141 V CB 2.342 34.202 31.823 0.061 0.000 1.042 141 V HN -0.000 nan 8.190 nan 0.000 0.433 142 V N 4.302 124.305 119.914 0.149 0.000 2.432 142 V HA 0.317 4.437 4.120 -0.001 0.000 0.271 142 V C 0.004 176.234 176.094 0.227 0.000 1.046 142 V CA -0.299 62.119 62.300 0.197 0.000 0.945 142 V CB 1.087 33.007 31.823 0.162 0.000 0.992 142 V HN 0.760 nan 8.190 nan 0.000 0.471 143 L N 7.477 128.896 121.223 0.326 0.000 2.287 143 L HA 0.618 4.957 4.340 -0.001 0.000 0.287 143 L C -0.543 176.622 176.870 0.491 0.000 1.022 143 L CA 0.010 55.097 54.840 0.411 0.000 0.814 143 L CB 1.755 44.077 42.059 0.439 0.000 1.217 143 L HN 0.404 nan 8.230 nan 0.000 0.420 144 V N 3.987 124.159 119.914 0.430 0.000 2.540 144 V HA 0.560 4.680 4.120 -0.001 0.000 0.302 144 V C -0.027 176.335 176.094 0.448 0.000 1.035 144 V CA -0.574 61.943 62.300 0.362 0.000 0.873 144 V CB 2.111 34.064 31.823 0.216 0.000 0.992 144 V HN 0.906 nan 8.190 nan 0.000 0.428 145 S N 5.293 121.265 115.700 0.452 0.000 2.532 145 S HA 0.862 5.332 4.470 -0.001 0.000 0.299 145 S C -0.851 173.937 174.600 0.313 0.000 1.105 145 S CA -0.742 57.744 58.200 0.477 0.000 1.018 145 S CB 1.678 65.273 63.200 0.658 0.000 1.021 145 S HN 0.679 nan 8.310 nan 0.000 0.483 146 L N 0.777 122.127 121.223 0.212 0.000 2.421 146 L HA 1.012 5.351 4.340 -0.001 0.000 0.267 146 L C 0.057 177.086 176.870 0.265 0.000 1.036 146 L CA -0.805 54.133 54.840 0.163 0.000 0.829 146 L CB 0.413 42.440 42.059 -0.053 0.000 1.437 146 L HN 0.880 nan 8.230 nan 0.000 0.488 147 S N -1.534 114.379 115.700 0.355 0.000 2.627 147 S HA 0.908 5.378 4.470 -0.001 0.000 0.283 147 S C -1.284 173.573 174.600 0.429 0.000 1.127 147 S CA -0.529 57.913 58.200 0.403 0.000 0.863 147 S CB 1.584 65.033 63.200 0.415 0.000 1.121 147 S HN 1.185 nan 8.310 nan 0.000 0.479 148 Y N -1.768 118.662 120.300 0.217 0.000 2.592 148 Y HA 0.672 5.222 4.550 -0.001 0.000 0.334 148 Y C -0.794 175.239 175.900 0.221 0.000 1.136 148 Y CA -1.397 56.811 58.100 0.181 0.000 1.042 148 Y CB 0.711 39.225 38.460 0.090 0.000 1.325 148 Y HN 0.758 nan 8.280 nan 0.000 0.457 149 R N 1.923 122.565 120.500 0.237 0.000 2.537 149 R HA 0.513 4.852 4.340 -0.001 0.000 0.280 149 R C -0.129 176.361 176.300 0.317 0.000 1.058 149 R CA -0.087 56.116 56.100 0.172 0.000 1.057 149 R CB 0.864 31.230 30.300 0.110 0.000 0.973 149 R HN 0.702 nan 8.270 nan 0.000 0.438 150 V N -0.279 119.846 119.914 0.350 0.000 3.181 150 V HA 0.895 5.014 4.120 -0.001 0.000 0.314 150 V C 0.720 177.161 176.094 0.579 0.000 1.173 150 V CA -0.101 62.536 62.300 0.563 0.000 1.052 150 V CB 1.175 33.216 31.823 0.363 0.000 1.123 150 V HN 0.971 nan 8.190 nan 0.000 0.454 151 G N 0.473 109.643 108.800 0.618 0.000 2.575 151 G HA2 0.010 3.970 3.960 -0.001 0.000 0.267 151 G HA3 0.010 3.970 3.960 -0.001 0.000 0.267 151 G C 1.024 176.133 174.900 0.347 0.000 1.264 151 G CA 1.053 46.452 45.100 0.498 0.000 0.935 151 G HN 2.246 nan 8.290 nan 0.000 0.568 152 A N -1.359 121.384 122.820 -0.128 0.000 1.978 152 A HA 0.219 4.539 4.320 -0.001 0.000 0.220 152 A C 2.222 179.685 177.584 -0.201 0.000 1.170 152 A CA 2.522 54.142 52.037 -0.695 0.000 0.636 152 A CB -0.498 17.859 19.000 -1.070 0.000 0.810 152 A HN 0.950 nan 8.150 nan 0.000 0.448 153 F N -0.076 119.945 119.950 0.118 0.000 2.269 153 F HA 0.006 4.533 4.527 -0.001 0.000 0.301 153 F C 2.333 178.149 175.800 0.026 0.000 1.082 153 F CA 1.135 59.169 58.000 0.056 0.000 1.360 153 F CB -0.454 38.532 39.000 -0.024 0.000 1.041 153 F HN 0.296 nan 8.300 nan 0.000 0.512 154 G N -2.753 106.134 108.800 0.144 0.000 3.079 154 G HA2 0.122 4.082 3.960 -0.001 0.000 0.233 154 G HA3 0.122 4.082 3.960 -0.001 0.000 0.233 154 G C 0.634 175.030 174.900 -0.840 0.000 1.062 154 G CA 0.049 44.982 45.100 -0.279 0.000 0.809 154 G HN 0.313 nan 8.290 nan 0.000 0.535 155 F N -0.409 119.618 119.950 0.129 0.000 2.899 155 F HA 0.422 4.949 4.527 -0.001 0.000 0.337 155 F C 0.287 176.118 175.800 0.052 0.000 1.129 155 F CA -0.953 57.100 58.000 0.088 0.000 1.128 155 F CB 0.509 39.586 39.000 0.128 0.000 1.154 155 F HN -0.078 nan 8.300 nan 0.000 0.531 156 L N 2.320 123.527 121.223 -0.028 0.000 2.513 156 L HA 0.474 4.814 4.340 -0.001 0.000 0.272 156 L C 0.140 176.963 176.870 -0.077 0.000 1.187 156 L CA 0.152 54.859 54.840 -0.222 0.000 0.895 156 L CB 0.198 41.864 42.059 -0.655 0.000 1.147 156 L HN 0.157 nan 8.230 nan 0.000 0.483 157 A N 6.895 129.719 122.820 0.007 0.000 2.332 157 A HA 0.631 4.951 4.320 -0.001 0.000 0.300 157 A C -0.751 176.845 177.584 0.019 0.000 1.153 157 A CA -0.483 51.572 52.037 0.030 0.000 0.764 157 A CB 0.610 19.662 19.000 0.086 0.000 1.174 157 A HN 0.718 nan 8.150 nan 0.000 0.467 158 L N 3.551 124.777 121.223 0.005 0.000 2.679 158 L HA 0.224 4.563 4.340 -0.001 0.000 0.238 158 L C 0.129 177.032 176.870 0.055 0.000 1.330 158 L CA -0.796 54.052 54.840 0.012 0.000 0.935 158 L CB 0.143 42.177 42.059 -0.041 0.000 1.243 158 L HN 0.927 nan 8.230 nan 0.000 0.484 159 H N 1.392 120.461 119.070 -0.001 0.000 3.177 159 H HA 0.101 4.656 4.556 -0.001 0.000 0.313 159 H C 1.273 176.605 175.328 0.007 0.000 0.983 159 H CA 1.840 57.894 56.048 0.010 0.000 1.358 159 H CB 0.721 30.492 29.762 0.016 0.000 1.294 159 H HN 0.669 nan 8.280 nan 0.000 0.587 160 G N 2.577 111.070 108.800 -0.512 0.000 2.232 160 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.226 160 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.226 160 G C 0.175 174.980 174.900 -0.158 0.000 0.996 160 G CA 0.397 45.299 45.100 -0.330 0.000 0.626 160 G HN 1.200 nan 8.290 nan 0.000 0.509 161 S N -0.204 115.435 115.700 -0.102 0.000 2.537 161 S HA 0.701 5.170 4.470 -0.001 0.000 0.301 161 S C 0.664 175.243 174.600 -0.034 0.000 1.092 161 S CA -0.286 57.883 58.200 -0.051 0.000 1.048 161 S CB 2.161 65.344 63.200 -0.028 0.000 1.053 161 S HN 0.054 nan 8.310 nan 0.000 0.501 162 Q N 0.876 120.667 119.800 -0.016 0.000 2.403 162 Q HA 0.162 4.501 4.340 -0.001 0.000 0.203 162 Q C 0.842 176.856 176.000 0.023 0.000 0.932 162 Q CA 0.499 56.303 55.803 0.001 0.000 0.945 162 Q CB -0.051 28.689 28.738 0.003 0.000 1.045 162 Q HN 0.728 nan 8.270 nan 0.000 0.511 163 E N 0.273 120.490 120.200 0.028 0.000 2.230 163 E HA 0.090 4.440 4.350 -0.001 0.000 0.192 163 E C 0.131 176.781 176.600 0.082 0.000 0.987 163 E CA 0.473 56.907 56.400 0.057 0.000 0.841 163 E CB 0.528 30.264 29.700 0.061 0.000 0.783 163 E HN 0.153 nan 8.360 nan 0.000 0.481 164 A N 1.323 124.167 122.820 0.039 0.000 3.399 164 A HA 0.267 4.587 4.320 -0.001 0.000 0.262 164 A C -2.065 175.522 177.584 0.006 0.000 1.145 164 A CA -0.786 51.265 52.037 0.023 0.000 0.916 164 A CB 0.605 19.541 19.000 -0.106 0.000 1.360 164 A HN -0.122 nan 8.150 nan 0.000 0.628 165 P HA 0.106 nan 4.420 nan 0.000 0.218 165 P C 0.937 178.282 177.300 0.075 0.000 1.149 165 P CA 2.030 65.159 63.100 0.050 0.000 0.817 165 P CB 0.222 31.953 31.700 0.050 0.000 0.785 166 G N -0.018 108.808 108.800 0.043 0.000 2.555 166 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.686 166 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.686 166 G C -0.208 174.693 174.900 0.001 0.000 1.275 166 G CA -0.277 44.849 45.100 0.044 0.000 0.871 166 G HN 0.105 nan 8.290 nan 0.000 0.603 167 N N -2.282 116.406 118.700 -0.020 0.000 2.732 167 N HA -0.292 4.448 4.740 -0.001 0.000 0.250 167 N C 1.974 177.347 175.510 -0.229 0.000 1.097 167 N CA 2.449 55.416 53.050 -0.139 0.000 0.812 167 N CB -1.625 36.727 38.487 -0.225 0.000 1.148 167 N HN 1.905 nan 8.380 nan 0.000 0.572 168 V N -2.739 117.042 119.914 -0.221 0.000 2.720 168 V HA -0.010 4.109 4.120 -0.001 0.000 0.256 168 V C 2.279 178.249 176.094 -0.207 0.000 1.082 168 V CA 2.247 64.460 62.300 -0.146 0.000 1.101 168 V CB -0.878 30.901 31.823 -0.073 0.000 0.693 168 V HN 0.283 nan 8.190 nan 0.000 0.479 169 G N 0.383 108.859 108.800 -0.540 0.000 2.422 169 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.218 169 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.218 169 G C 1.518 176.380 174.900 -0.063 0.000 1.140 169 G CA 1.033 45.908 45.100 -0.376 0.000 0.775 169 G HN 0.540 nan 8.290 nan 0.000 0.545 170 L N -0.101 121.046 121.223 -0.128 0.000 2.179 170 L HA 0.130 4.469 4.340 -0.001 0.000 0.208 170 L C 2.772 179.716 176.870 0.122 0.000 1.096 170 L CA 0.243 55.022 54.840 -0.101 0.000 0.779 170 L CB -0.274 41.433 42.059 -0.586 0.000 0.922 170 L HN 0.164 nan 8.230 nan 0.000 0.443 171 L N -0.494 120.794 121.223 0.107 0.000 2.141 171 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 171 L C 2.184 179.149 176.870 0.159 0.000 1.094 171 L CA 0.898 55.851 54.840 0.188 0.000 0.763 171 L CB -0.621 41.520 42.059 0.136 0.000 0.908 171 L HN 0.298 nan 8.230 nan 0.000 0.437 172 D N 0.082 120.571 120.400 0.148 0.000 2.104 172 D HA -0.209 4.430 4.640 -0.001 0.000 0.194 172 D C 2.270 178.658 176.300 0.148 0.000 0.994 172 D CA 1.275 55.421 54.000 0.243 0.000 0.830 172 D CB -0.195 40.785 40.800 0.300 0.000 0.959 172 D HN 0.413 nan 8.370 nan 0.000 0.452 173 Q N 0.189 120.038 119.800 0.082 0.000 2.061 173 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 173 Q C 2.306 178.237 176.000 -0.115 0.000 0.984 173 Q CA 1.109 56.878 55.803 -0.056 0.000 0.846 173 Q CB -0.138 28.581 28.738 -0.031 0.000 0.902 173 Q HN 0.204 nan 8.270 nan 0.000 0.421 174 R N 0.589 121.116 120.500 0.045 0.000 2.105 174 R HA -0.160 4.180 4.340 -0.001 0.000 0.239 174 R C 2.171 178.460 176.300 -0.017 0.000 1.135 174 R CA 1.503 57.613 56.100 0.016 0.000 0.967 174 R CB -0.140 30.260 30.300 0.167 0.000 0.861 174 R HN 0.278 nan 8.270 nan 0.000 0.442 175 M N -0.083 119.525 119.600 0.012 0.000 2.175 175 M HA -0.051 4.428 4.480 -0.001 0.000 0.264 175 M C 2.073 178.308 176.300 -0.109 0.000 1.063 175 M CA 1.880 57.209 55.300 0.048 0.000 1.119 175 M CB 0.029 32.755 32.600 0.209 0.000 1.377 175 M HN 0.275 nan 8.290 nan 0.000 0.415 176 A N 0.158 122.658 122.820 -0.534 0.000 1.930 176 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 176 A C 2.009 179.457 177.584 -0.226 0.000 1.175 176 A CA 1.325 52.864 52.037 -0.830 0.000 0.627 176 A CB -0.945 17.321 19.000 -1.223 0.000 0.815 176 A HN 0.569 nan 8.150 nan 0.000 0.443 177 L N -1.106 120.019 121.223 -0.163 0.000 2.093 177 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 177 L C 2.802 179.710 176.870 0.064 0.000 1.085 177 L CA 1.535 56.349 54.840 -0.043 0.000 0.755 177 L CB -0.358 41.640 42.059 -0.102 0.000 0.904 177 L HN 0.465 nan 8.230 nan 0.000 0.435 178 Q N -0.447 119.389 119.800 0.059 0.000 2.084 178 Q HA -0.256 4.084 4.340 -0.001 0.000 0.202 178 Q C 1.978 178.092 176.000 0.190 0.000 0.978 178 Q CA 1.869 57.733 55.803 0.101 0.000 0.844 178 Q CB -0.433 28.354 28.738 0.082 0.000 0.898 178 Q HN 0.470 nan 8.270 nan 0.000 0.426 179 W N -0.724 120.590 121.300 0.024 0.000 2.358 179 W HA -0.151 4.509 4.660 -0.001 0.000 0.303 179 W C 1.882 178.443 176.519 0.070 0.000 1.208 179 W CA 1.688 59.072 57.345 0.065 0.000 1.274 179 W CB -0.228 29.272 29.460 0.066 0.000 1.138 179 W HN 0.003 nan 8.180 nan 0.000 0.515 180 V N -0.093 120.016 119.914 0.324 0.000 2.332 180 V HA -0.385 3.734 4.120 -0.001 0.000 0.248 180 V C 2.527 178.653 176.094 0.054 0.000 1.055 180 V CA 2.362 64.774 62.300 0.187 0.000 1.038 180 V CB -1.300 30.620 31.823 0.161 0.000 0.651 180 V HN 0.341 nan 8.190 nan 0.000 0.450 181 H N 0.197 119.266 119.070 -0.001 0.000 2.387 181 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 181 H C 1.823 177.091 175.328 -0.101 0.000 1.090 181 H CA 1.910 57.935 56.048 -0.038 0.000 1.332 181 H CB 0.087 29.840 29.762 -0.015 0.000 1.386 181 H HN 0.451 nan 8.280 nan 0.000 0.516 182 D N -0.467 119.912 120.400 -0.034 0.000 2.333 182 D HA -0.023 4.617 4.640 -0.001 0.000 0.208 182 D C 1.065 177.203 176.300 -0.270 0.000 0.984 182 D CA 0.347 54.267 54.000 -0.134 0.000 0.873 182 D CB 0.184 40.938 40.800 -0.077 0.000 0.935 182 D HN 0.458 nan 8.370 nan 0.000 0.521 183 N N -0.056 118.411 118.700 -0.389 0.000 2.168 183 N HA 0.024 4.763 4.740 -0.001 0.000 0.216 183 N C 1.474 176.896 175.510 -0.147 0.000 1.259 183 N CA -0.169 52.668 53.050 -0.356 0.000 0.902 183 N CB 1.048 38.961 38.487 -0.957 0.000 1.079 183 N HN -0.001 nan 8.380 nan 0.000 0.507 184 I N 3.135 123.634 120.570 -0.118 0.000 2.700 184 I HA -0.237 3.933 4.170 -0.001 0.000 0.261 184 I C 2.538 178.649 176.117 -0.011 0.000 1.219 184 I CA 1.277 62.612 61.300 0.058 0.000 1.463 184 I CB -0.166 37.841 38.000 0.013 0.000 1.092 184 I HN 0.199 nan 8.210 nan 0.000 0.452 185 Q N -0.730 118.882 119.800 -0.314 0.000 2.170 185 Q HA -0.217 4.122 4.340 -0.001 0.000 0.203 185 Q C 1.718 177.481 176.000 -0.396 0.000 0.976 185 Q CA 1.601 57.155 55.803 -0.415 0.000 0.858 185 Q CB -0.779 27.576 28.738 -0.639 0.000 0.907 185 Q HN 0.424 nan 8.270 nan 0.000 0.433 186 F N -0.382 119.514 119.950 -0.090 0.000 2.748 186 F HA 0.134 4.661 4.527 -0.001 0.000 0.299 186 F C 0.793 176.374 175.800 -0.365 0.000 1.154 186 F CA 0.236 58.089 58.000 -0.245 0.000 1.446 186 F CB -0.028 38.747 39.000 -0.376 0.000 1.112 186 F HN 0.004 nan 8.300 nan 0.000 0.584 187 F N -0.764 119.185 119.950 -0.002 0.000 2.678 187 F HA 0.432 4.959 4.527 -0.001 0.000 0.305 187 F C 1.767 177.578 175.800 0.018 0.000 1.090 187 F CA 0.317 58.300 58.000 -0.027 0.000 1.272 187 F CB 0.243 39.198 39.000 -0.076 0.000 1.060 187 F HN 0.020 nan 8.300 nan 0.000 0.576 188 G N 0.140 109.017 108.800 0.128 0.000 2.176 188 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.232 188 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.232 188 G C 0.605 175.545 174.900 0.067 0.000 0.986 188 G CA -0.322 44.831 45.100 0.088 0.000 0.643 188 G HN 0.693 nan 8.290 nan 0.000 0.522 189 G N -0.276 108.567 108.800 0.070 0.000 2.448 189 G HA2 0.494 4.453 3.960 -0.001 0.000 0.285 189 G HA3 0.494 4.453 3.960 -0.001 0.000 0.285 189 G C -0.747 174.136 174.900 -0.029 0.000 1.176 189 G CA 0.343 45.465 45.100 0.038 0.000 0.852 189 G HN 0.277 nan 8.290 nan 0.000 0.530 190 D N 1.551 121.934 120.400 -0.028 0.000 2.347 190 D HA 0.270 4.909 4.640 -0.001 0.000 0.235 190 D C -0.986 175.270 176.300 -0.072 0.000 1.149 190 D CA -2.389 51.574 54.000 -0.061 0.000 0.850 190 D CB 1.842 42.616 40.800 -0.043 0.000 1.061 190 D HN 0.077 nan 8.370 nan 0.000 0.487 191 P HA -0.129 nan 4.420 nan 0.000 0.230 191 P C 0.550 177.789 177.300 -0.103 0.000 1.158 191 P CA 0.784 63.785 63.100 -0.165 0.000 0.769 191 P CB 0.016 31.501 31.700 -0.358 0.000 0.807 192 K N -0.922 119.429 120.400 -0.082 0.000 2.404 192 K HA 0.151 4.471 4.320 -0.001 0.000 0.194 192 K C -0.005 176.582 176.600 -0.022 0.000 1.023 192 K CA 0.251 56.514 56.287 -0.039 0.000 1.094 192 K CB -0.259 32.212 32.500 -0.048 0.000 0.841 192 K HN -0.193 nan 8.250 nan 0.000 0.523 193 T N 1.384 115.927 114.554 -0.018 0.000 3.732 193 T HA 0.142 4.491 4.350 -0.001 0.000 0.234 193 T C -1.254 173.452 174.700 0.010 0.000 1.146 193 T CA -0.560 61.531 62.100 -0.016 0.000 1.454 193 T CB 0.941 69.787 68.868 -0.035 0.000 0.910 193 T HN 0.136 nan 8.240 nan 0.000 0.640 194 V N 1.854 121.801 119.914 0.056 0.000 2.394 194 V HA 0.662 4.782 4.120 -0.001 0.000 0.282 194 V C -0.432 175.746 176.094 0.139 0.000 1.031 194 V CA 0.064 62.423 62.300 0.098 0.000 0.881 194 V CB 1.483 33.387 31.823 0.134 0.000 0.982 194 V HN 0.494 nan 8.190 nan 0.000 0.451 195 T N 8.708 123.326 114.554 0.106 0.000 2.758 195 T HA 0.530 4.880 4.350 -0.001 0.000 0.285 195 T C -0.097 174.699 174.700 0.160 0.000 0.981 195 T CA -0.143 62.027 62.100 0.117 0.000 0.965 195 T CB 0.743 69.625 68.868 0.023 0.000 0.927 195 T HN 0.778 nan 8.240 nan 0.000 0.448 196 I N 1.696 122.330 120.570 0.106 0.000 2.385 196 I HA 0.857 5.026 4.170 -0.001 0.000 0.294 196 I C -0.844 175.426 176.117 0.255 0.000 0.988 196 I CA -0.987 60.364 61.300 0.086 0.000 1.265 196 I CB 0.913 38.738 38.000 -0.292 0.000 1.388 196 I HN 0.487 nan 8.210 nan 0.000 0.480 197 F N 3.070 123.037 119.950 0.028 0.000 2.619 197 F HA 0.998 5.525 4.527 -0.001 0.000 0.308 197 F C -0.454 175.331 175.800 -0.026 0.000 1.097 197 F CA -1.294 56.762 58.000 0.094 0.000 0.953 197 F CB 1.311 40.475 39.000 0.273 0.000 1.287 197 F HN 0.829 nan 8.300 nan 0.000 0.446 198 G N 0.990 109.683 108.800 -0.179 0.000 2.623 198 G HA2 0.506 4.466 3.960 -0.001 0.000 0.290 198 G HA3 0.506 4.466 3.960 -0.001 0.000 0.290 198 G C -2.491 172.239 174.900 -0.283 0.000 1.437 198 G CA -0.794 43.860 45.100 -0.744 0.000 0.798 198 G HN 0.856 nan 8.290 nan 0.000 0.488 199 E N 0.185 120.180 120.200 -0.341 0.000 2.238 199 E HA 0.618 4.968 4.350 -0.001 0.000 0.267 199 E C 0.612 177.166 176.600 -0.077 0.000 0.887 199 E CA 0.264 56.662 56.400 -0.003 0.000 0.769 199 E CB 2.141 31.985 29.700 0.241 0.000 1.187 199 E HN 0.828 nan 8.360 nan 0.000 0.416 200 S N 2.771 118.487 115.700 0.026 0.000 4.114 200 S HA -0.395 4.075 4.470 -0.001 0.000 0.618 200 S C 1.478 176.144 174.600 0.109 0.000 1.937 200 S CA 2.112 60.383 58.200 0.119 0.000 4.228 200 S CB -1.618 61.580 63.200 -0.004 0.000 0.216 200 S HN 0.963 nan 8.310 nan 0.000 0.528 201 A N 0.997 123.755 122.820 -0.104 0.000 1.978 201 A HA 0.121 4.440 4.320 -0.001 0.000 0.220 201 A C 2.460 179.800 177.584 -0.407 0.000 1.170 201 A CA 2.519 54.296 52.037 -0.434 0.000 0.636 201 A CB -1.540 16.815 19.000 -1.074 0.000 0.810 201 A HN 1.601 nan 8.150 nan 0.000 0.448 202 G N -0.813 107.797 108.800 -0.316 0.000 2.421 202 G HA2 0.095 4.054 3.960 -0.001 0.000 0.217 202 G HA3 0.095 4.054 3.960 -0.001 0.000 0.217 202 G C 1.440 176.174 174.900 -0.276 0.000 1.143 202 G CA 1.120 45.995 45.100 -0.375 0.000 0.784 202 G HN 0.671 nan 8.290 nan 0.000 0.541 203 G N 0.874 109.573 108.800 -0.169 0.000 2.421 203 G HA2 0.142 4.102 3.960 -0.001 0.000 0.217 203 G HA3 0.142 4.102 3.960 -0.001 0.000 0.217 203 G C 1.964 176.787 174.900 -0.128 0.000 1.143 203 G CA 1.324 46.362 45.100 -0.105 0.000 0.784 203 G HN 0.569 nan 8.290 nan 0.000 0.541 204 A N 0.781 123.547 122.820 -0.089 0.000 1.930 204 A HA 0.085 4.404 4.320 -0.001 0.000 0.217 204 A C 2.672 180.218 177.584 -0.063 0.000 1.175 204 A CA 2.066 54.034 52.037 -0.115 0.000 0.627 204 A CB -0.499 18.469 19.000 -0.054 0.000 0.815 204 A HN 0.279 nan 8.150 nan 0.000 0.443 205 S N -0.381 115.301 115.700 -0.030 0.000 2.356 205 S HA -0.135 4.335 4.470 -0.001 0.000 0.223 205 S C 1.907 176.476 174.600 -0.051 0.000 1.032 205 S CA 1.413 59.586 58.200 -0.045 0.000 1.005 205 S CB -0.467 62.662 63.200 -0.118 0.000 0.867 205 S HN 0.333 nan 8.310 nan 0.000 0.449 206 V N 1.623 121.499 119.914 -0.064 0.000 2.332 206 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 206 V C 2.570 178.638 176.094 -0.043 0.000 1.055 206 V CA 2.021 64.286 62.300 -0.058 0.000 1.038 206 V CB -1.391 30.364 31.823 -0.112 0.000 0.651 206 V HN 0.607 nan 8.190 nan 0.000 0.450 207 G N -1.175 107.547 108.800 -0.131 0.000 2.422 207 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 207 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 207 G C 1.577 176.480 174.900 0.005 0.000 1.140 207 G CA 0.826 45.815 45.100 -0.185 0.000 0.775 207 G HN 0.460 nan 8.290 nan 0.000 0.545 208 M N -0.251 119.366 119.600 0.029 0.000 2.319 208 M HA 0.060 4.540 4.480 -0.001 0.000 0.265 208 M C 2.170 178.599 176.300 0.216 0.000 1.068 208 M CA 0.734 56.169 55.300 0.225 0.000 1.118 208 M CB -0.135 32.606 32.600 0.236 0.000 1.395 208 M HN 0.177 nan 8.290 nan 0.000 0.435 209 H N -0.258 118.953 119.070 0.235 0.000 2.470 209 H HA 0.079 4.635 4.556 -0.001 0.000 0.289 209 H C 2.068 177.617 175.328 0.369 0.000 1.033 209 H CA 1.192 57.380 56.048 0.233 0.000 1.331 209 H CB -0.024 29.777 29.762 0.065 0.000 1.414 209 H HN 0.399 nan 8.280 nan 0.000 0.545 210 I N 0.450 121.310 120.570 0.482 0.000 2.394 210 I HA -0.219 3.951 4.170 -0.001 0.000 0.251 210 I C 2.131 178.498 176.117 0.416 0.000 1.136 210 I CA 0.813 62.433 61.300 0.533 0.000 1.425 210 I CB 0.000 38.273 38.000 0.455 0.000 1.079 210 I HN 0.111 nan 8.210 nan 0.000 0.425 211 L N -0.700 120.739 121.223 0.359 0.000 2.127 211 L HA -0.008 4.331 4.340 -0.001 0.000 0.203 211 L C 1.533 178.542 176.870 0.232 0.000 1.080 211 L CA 0.219 55.269 54.840 0.351 0.000 0.768 211 L CB -0.297 41.994 42.059 0.387 0.000 0.924 211 L HN 0.079 nan 8.230 nan 0.000 0.444 212 S N 0.422 116.193 115.700 0.118 0.000 2.481 212 S HA 0.092 4.562 4.470 -0.001 0.000 0.282 212 S C -1.481 173.019 174.600 -0.168 0.000 1.243 212 S CA -1.319 56.762 58.200 -0.199 0.000 1.078 212 S CB 0.830 63.539 63.200 -0.818 0.000 0.916 212 S HN -0.082 nan 8.310 nan 0.000 0.495 213 P HA -0.096 nan 4.420 nan 0.000 0.216 213 P C 1.425 178.640 177.300 -0.141 0.000 1.154 213 P CA 1.443 64.477 63.100 -0.110 0.000 0.865 213 P CB -0.144 31.497 31.700 -0.099 0.000 0.789 214 G N -1.778 106.884 108.800 -0.229 0.000 2.679 214 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.212 214 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.212 214 G C 1.309 176.125 174.900 -0.140 0.000 1.137 214 G CA 0.561 45.543 45.100 -0.198 0.000 0.787 214 G HN 0.242 nan 8.290 nan 0.000 0.534 215 S N -0.439 115.206 115.700 -0.092 0.000 2.524 215 S HA 0.101 4.570 4.470 -0.001 0.000 0.222 215 S C 2.245 176.931 174.600 0.142 0.000 1.040 215 S CA -0.495 57.757 58.200 0.087 0.000 0.915 215 S CB 0.204 63.601 63.200 0.328 0.000 0.831 215 S HN 0.358 nan 8.310 nan 0.000 0.492 216 R N 2.128 122.652 120.500 0.040 0.000 2.133 216 R HA -0.127 4.213 4.340 -0.001 0.000 0.247 216 R C 0.521 176.632 176.300 -0.314 0.000 1.151 216 R CA 1.558 57.582 56.100 -0.128 0.000 0.971 216 R CB -0.754 29.500 30.300 -0.077 0.000 0.866 216 R HN 0.351 nan 8.270 nan 0.000 0.447 217 D N 0.677 120.962 120.400 -0.192 0.000 2.349 217 D HA 0.014 4.653 4.640 -0.001 0.000 0.224 217 D C 1.613 177.795 176.300 -0.197 0.000 1.029 217 D CA 0.524 54.403 54.000 -0.202 0.000 0.879 217 D CB 0.047 40.748 40.800 -0.164 0.000 0.906 217 D HN 0.242 nan 8.370 nan 0.000 0.528 218 L N -0.191 120.959 121.223 -0.122 0.000 2.591 218 L HA 0.147 4.487 4.340 -0.001 0.000 0.228 218 L C 0.021 177.024 176.870 0.221 0.000 1.133 218 L CA 0.046 54.893 54.840 0.011 0.000 0.880 218 L CB -0.244 41.851 42.059 0.060 0.000 1.033 218 L HN -0.048 nan 8.230 nan 0.000 0.450 219 F N -4.223 115.739 119.950 0.019 0.000 2.686 219 F HA 0.566 5.093 4.527 -0.001 0.000 0.311 219 F C 0.400 176.223 175.800 0.038 0.000 1.128 219 F CA -1.347 56.676 58.000 0.037 0.000 0.946 219 F CB 1.190 40.206 39.000 0.027 0.000 1.336 219 F HN -0.400 nan 8.300 nan 0.000 0.457 220 R N 0.744 121.322 120.500 0.129 0.000 2.087 220 R HA 0.473 4.813 4.340 -0.001 0.000 0.213 220 R C 0.042 176.396 176.300 0.090 0.000 1.137 220 R CA 0.987 57.097 56.100 0.017 0.000 1.022 220 R CB 0.260 30.566 30.300 0.009 0.000 0.920 220 R HN 0.791 nan 8.270 nan 0.000 0.451 221 R N -1.338 119.292 120.500 0.217 0.000 2.905 221 R HA 0.769 5.109 4.340 -0.001 0.000 0.260 221 R C -1.497 175.021 176.300 0.364 0.000 1.086 221 R CA -0.718 55.509 56.100 0.211 0.000 0.978 221 R CB 2.229 32.459 30.300 -0.117 0.000 1.215 221 R HN 0.231 nan 8.270 nan 0.000 0.480 222 A N 1.160 124.192 122.820 0.353 0.000 2.549 222 A HA 0.665 4.985 4.320 -0.001 0.000 0.297 222 A C -1.288 176.426 177.584 0.216 0.000 1.061 222 A CA -0.615 51.571 52.037 0.248 0.000 0.690 222 A CB 1.280 20.386 19.000 0.178 0.000 1.287 222 A HN 0.560 nan 8.150 nan 0.000 0.402 223 I N 1.684 122.337 120.570 0.137 0.000 2.466 223 I HA 0.405 4.575 4.170 -0.001 0.000 0.289 223 I C -1.455 174.716 176.117 0.089 0.000 1.026 223 I CA -0.635 60.676 61.300 0.018 0.000 1.078 223 I CB 1.889 39.849 38.000 -0.067 0.000 1.249 223 I HN 0.422 nan 8.210 nan 0.000 0.429 224 L N 6.595 127.842 121.223 0.039 0.000 2.319 224 L HA 0.430 4.770 4.340 -0.001 0.000 0.281 224 L C -0.430 176.526 176.870 0.145 0.000 1.005 224 L CA -0.243 54.626 54.840 0.048 0.000 0.828 224 L CB 1.498 43.520 42.059 -0.061 0.000 1.227 224 L HN 0.494 nan 8.230 nan 0.000 0.415 225 Q N 1.969 121.905 119.800 0.227 0.000 2.347 225 Q HA 0.450 4.789 4.340 -0.001 0.000 0.262 225 Q C 0.036 176.165 176.000 0.215 0.000 0.980 225 Q CA -0.575 55.432 55.803 0.339 0.000 0.867 225 Q CB 1.425 30.461 28.738 0.497 0.000 1.242 225 Q HN 0.641 nan 8.270 nan 0.000 0.453 226 S N 1.117 116.930 115.700 0.188 0.000 3.559 226 S HA -0.168 4.302 4.470 -0.001 0.000 0.369 226 S C 0.031 174.765 174.600 0.224 0.000 0.987 226 S CA 0.592 58.911 58.200 0.198 0.000 1.187 226 S CB -1.145 62.208 63.200 0.254 0.000 0.914 226 S HN 0.979 nan 8.310 nan 0.000 0.480 227 G N -0.287 108.589 108.800 0.128 0.000 2.633 227 G HA2 0.591 4.551 3.960 -0.001 0.000 0.299 227 G HA3 0.591 4.551 3.960 -0.001 0.000 0.299 227 G C -0.963 173.885 174.900 -0.087 0.000 1.501 227 G CA 0.115 45.293 45.100 0.130 0.000 0.887 227 G HN 1.111 nan 8.290 nan 0.000 0.561 228 S N 1.496 117.067 115.700 -0.215 0.000 2.579 228 S HA 0.800 5.269 4.470 -0.001 0.000 0.272 228 S C -2.007 172.309 174.600 -0.474 0.000 1.141 228 S CA -1.085 56.844 58.200 -0.450 0.000 0.843 228 S CB 3.064 65.983 63.200 -0.468 0.000 1.122 228 S HN 0.416 nan 8.310 nan 0.000 0.468 229 P HA -0.144 nan 4.420 nan 0.000 0.218 229 P C 0.582 177.648 177.300 -0.390 0.000 1.148 229 P CA 1.411 64.278 63.100 -0.387 0.000 0.822 229 P CB -0.331 31.192 31.700 -0.296 0.000 0.784 230 N N -0.807 117.694 118.700 -0.333 0.000 2.362 230 N HA -0.010 4.730 4.740 -0.001 0.000 0.204 230 N C -0.034 175.253 175.510 -0.370 0.000 1.166 230 N CA -0.265 52.623 53.050 -0.269 0.000 0.831 230 N CB -1.388 37.056 38.487 -0.072 0.000 1.008 230 N HN 0.036 nan 8.380 nan 0.000 0.472 231 C N 2.638 121.597 119.300 -0.568 0.000 2.662 231 C HA 0.133 4.592 4.460 -0.001 0.000 0.420 231 C C -0.232 174.291 174.990 -0.777 0.000 1.314 231 C CA -0.939 57.615 59.018 -0.774 0.000 1.963 231 C CB 1.190 28.151 27.740 -1.299 0.000 2.686 231 C HN 0.365 nan 8.230 nan 0.000 0.609 232 P HA -0.103 nan 4.420 nan 0.000 0.228 232 P C 1.044 178.156 177.300 -0.313 0.000 1.151 232 P CA 1.701 64.536 63.100 -0.441 0.000 0.770 232 P CB -0.041 31.401 31.700 -0.429 0.000 0.786 233 W N -1.740 119.430 121.300 -0.216 0.000 2.993 233 W HA 0.546 5.206 4.660 -0.000 0.000 0.290 233 W C 1.227 177.784 176.519 0.063 0.000 1.203 233 W CA 0.357 57.649 57.345 -0.087 0.000 1.582 233 W CB -0.972 28.470 29.460 -0.029 0.000 1.033 233 W HN -0.138 nan 8.180 nan 0.000 0.594 234 A N 1.612 124.111 122.820 -0.534 0.000 2.206 234 A HA 0.160 4.479 4.320 -0.001 0.000 0.211 234 A C 0.982 178.398 177.584 -0.280 0.000 1.158 234 A CA 1.299 53.144 52.037 -0.320 0.000 0.761 234 A CB -0.632 17.934 19.000 -0.723 0.000 0.801 234 A HN 0.264 nan 8.150 nan 0.000 0.473 235 S N -2.051 113.485 115.700 -0.273 0.000 2.587 235 S HA 0.591 5.061 4.470 -0.001 0.000 0.269 235 S C -0.829 173.649 174.600 -0.204 0.000 1.154 235 S CA -0.112 57.921 58.200 -0.279 0.000 0.824 235 S CB 1.138 64.111 63.200 -0.379 0.000 1.118 235 S HN 1.385 nan 8.310 nan 0.000 0.462 236 V N -0.798 119.015 119.914 -0.168 0.000 3.160 236 V HA 0.959 5.078 4.120 -0.001 0.000 0.310 236 V C 0.199 176.226 176.094 -0.112 0.000 1.181 236 V CA -0.404 61.820 62.300 -0.126 0.000 1.047 236 V CB 1.151 32.916 31.823 -0.097 0.000 1.068 236 V HN 1.575 nan 8.190 nan 0.000 0.441 237 S N 0.589 116.232 115.700 -0.095 0.000 2.624 237 S HA 0.359 4.829 4.470 -0.001 0.000 0.263 237 S C 1.302 175.857 174.600 -0.074 0.000 1.287 237 S CA 0.025 58.173 58.200 -0.086 0.000 0.990 237 S CB 1.229 64.385 63.200 -0.072 0.000 0.950 237 S HN 2.128 nan 8.310 nan 0.000 0.561 238 V N -1.356 118.502 119.914 -0.092 0.000 2.515 238 V HA 0.019 4.139 4.120 -0.001 0.000 0.250 238 V C 2.494 178.569 176.094 -0.031 0.000 1.058 238 V CA 1.634 63.885 62.300 -0.082 0.000 1.064 238 V CB -1.981 29.724 31.823 -0.197 0.000 0.675 238 V HN 0.995 nan 8.190 nan 0.000 0.461 239 A N 0.652 123.450 122.820 -0.037 0.000 1.873 239 A HA -0.189 4.130 4.320 -0.001 0.000 0.215 239 A C 2.212 179.778 177.584 -0.030 0.000 1.186 239 A CA 1.967 53.991 52.037 -0.023 0.000 0.616 239 A CB -0.665 18.321 19.000 -0.024 0.000 0.823 239 A HN 0.616 nan 8.150 nan 0.000 0.442 240 E N 0.178 120.351 120.200 -0.045 0.000 2.150 240 E HA -0.005 4.344 4.350 -0.001 0.000 0.193 240 E C 1.919 178.489 176.600 -0.049 0.000 0.985 240 E CA 1.353 57.716 56.400 -0.061 0.000 0.814 240 E CB -0.765 28.889 29.700 -0.077 0.000 0.752 240 E HN 0.397 nan 8.360 nan 0.000 0.466 241 G N 0.711 109.495 108.800 -0.026 0.000 2.421 241 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.216 241 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.216 241 G C 1.764 176.681 174.900 0.027 0.000 1.171 241 G CA 0.832 45.940 45.100 0.013 0.000 0.775 241 G HN 0.331 nan 8.290 nan 0.000 0.543 242 R N 0.227 120.737 120.500 0.015 0.000 2.073 242 R HA -0.024 4.316 4.340 -0.001 0.000 0.234 242 R C 2.580 178.881 176.300 0.001 0.000 1.134 242 R CA 1.433 57.541 56.100 0.013 0.000 0.952 242 R CB -0.374 29.937 30.300 0.018 0.000 0.850 242 R HN 0.270 nan 8.270 nan 0.000 0.433 243 R N 0.611 121.102 120.500 -0.015 0.000 2.091 243 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 243 R C 2.135 178.419 176.300 -0.028 0.000 1.136 243 R CA 1.903 57.985 56.100 -0.029 0.000 0.959 243 R CB -0.132 30.137 30.300 -0.052 0.000 0.856 243 R HN 0.309 nan 8.270 nan 0.000 0.437 244 R N -0.439 120.044 120.500 -0.029 0.000 2.115 244 R HA -0.012 4.328 4.340 -0.001 0.000 0.226 244 R C 2.318 178.681 176.300 0.105 0.000 1.100 244 R CA 1.077 57.163 56.100 -0.024 0.000 0.980 244 R CB -0.221 29.999 30.300 -0.134 0.000 0.875 244 R HN 0.233 nan 8.270 nan 0.000 0.445 245 A N 0.746 123.637 122.820 0.119 0.000 1.898 245 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 245 A C 2.307 179.896 177.584 0.008 0.000 1.181 245 A CA 1.245 53.325 52.037 0.071 0.000 0.620 245 A CB -0.428 18.560 19.000 -0.020 0.000 0.819 245 A HN 0.099 nan 8.150 nan 0.000 0.442 246 V N -0.076 119.839 119.914 0.002 0.000 2.358 246 V HA -0.201 3.919 4.120 -0.001 0.000 0.246 246 V C 2.558 178.654 176.094 0.003 0.000 1.047 246 V CA 2.308 64.605 62.300 -0.006 0.000 1.035 246 V CB -0.628 31.190 31.823 -0.008 0.000 0.658 246 V HN 0.682 nan 8.190 nan 0.000 0.452 247 E N 0.257 120.462 120.200 0.008 0.000 2.150 247 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 247 E C 1.882 178.499 176.600 0.030 0.000 0.985 247 E CA 0.918 57.322 56.400 0.008 0.000 0.814 247 E CB -0.327 29.365 29.700 -0.013 0.000 0.752 247 E HN 0.453 nan 8.360 nan 0.000 0.466 248 L N -0.316 120.943 121.223 0.060 0.000 2.046 248 L HA 0.053 4.393 4.340 -0.001 0.000 0.208 248 L C 2.156 179.045 176.870 0.031 0.000 1.077 248 L CA 2.379 57.267 54.840 0.080 0.000 0.747 248 L CB -1.017 41.117 42.059 0.126 0.000 0.896 248 L HN 0.209 nan 8.230 nan 0.000 0.432 249 G N -0.938 107.866 108.800 0.007 0.000 2.432 249 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 249 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 249 G C 1.824 176.734 174.900 0.016 0.000 1.135 249 G CA 0.689 45.790 45.100 0.002 0.000 0.767 249 G HN 0.413 nan 8.290 nan 0.000 0.550 250 R N 0.375 120.885 120.500 0.016 0.000 2.115 250 R HA 0.034 4.374 4.340 -0.001 0.000 0.226 250 R C 2.011 178.326 176.300 0.025 0.000 1.100 250 R CA 0.864 56.975 56.100 0.018 0.000 0.980 250 R CB -0.262 30.045 30.300 0.013 0.000 0.875 250 R HN 0.290 nan 8.270 nan 0.000 0.445 251 N N 0.317 119.036 118.700 0.031 0.000 2.459 251 N HA -0.075 4.664 4.740 -0.001 0.000 0.181 251 N C 0.808 176.344 175.510 0.042 0.000 1.046 251 N CA 0.740 53.814 53.050 0.039 0.000 0.904 251 N CB 0.257 38.774 38.487 0.050 0.000 0.964 251 N HN 0.261 nan 8.380 nan 0.000 0.444 252 L N 0.935 122.182 121.223 0.039 0.000 2.910 252 L HA 0.200 4.540 4.340 -0.001 0.000 0.252 252 L C -0.456 176.437 176.870 0.037 0.000 1.195 252 L CA -0.227 54.638 54.840 0.041 0.000 1.003 252 L CB -0.076 42.008 42.059 0.042 0.000 1.328 252 L HN -0.002 nan 8.230 nan 0.000 0.540 253 N N 0.383 119.103 118.700 0.033 0.000 2.642 253 N HA -0.221 4.518 4.740 -0.001 0.000 0.269 253 N C -0.072 175.458 175.510 0.033 0.000 1.073 253 N CA 1.139 54.208 53.050 0.030 0.000 0.748 253 N CB -1.672 36.833 38.487 0.031 0.000 0.894 253 N HN 0.535 nan 8.380 nan 0.000 0.548 254 C N 0.605 119.923 119.300 0.030 0.000 2.399 254 C HA 0.602 5.062 4.460 -0.001 0.000 0.348 254 C C 1.074 176.081 174.990 0.029 0.000 1.183 254 C CA -0.829 58.210 59.018 0.036 0.000 2.023 254 C CB 1.227 28.988 27.740 0.035 0.000 2.361 254 C HN 0.548 nan 8.230 nan 0.000 0.521 255 N N 1.982 120.702 118.700 0.034 0.000 2.468 255 N HA 0.259 4.999 4.740 -0.001 0.000 0.265 255 N C 0.246 175.766 175.510 0.017 0.000 1.199 255 N CA 0.207 53.271 53.050 0.023 0.000 0.928 255 N CB 0.481 38.981 38.487 0.021 0.000 1.059 255 N HN 0.658 nan 8.380 nan 0.000 0.467 256 L N 2.713 123.942 121.223 0.010 0.000 2.769 256 L HA 0.201 4.540 4.340 -0.001 0.000 0.240 256 L C 1.334 178.205 176.870 0.002 0.000 1.163 256 L CA -0.286 54.557 54.840 0.005 0.000 0.962 256 L CB -0.083 41.978 42.059 0.003 0.000 1.258 256 L HN 0.419 nan 8.230 nan 0.000 0.513 257 N N 0.833 119.534 118.700 0.002 0.000 2.223 257 N HA -0.086 4.654 4.740 -0.001 0.000 0.185 257 N C 0.831 176.340 175.510 -0.002 0.000 1.016 257 N CA 1.119 54.168 53.050 -0.001 0.000 0.863 257 N CB 0.158 38.643 38.487 -0.003 0.000 0.983 257 N HN 0.457 nan 8.380 nan 0.000 0.429 258 S N -1.377 114.322 115.700 -0.002 0.000 2.607 258 S HA 0.350 4.820 4.470 -0.001 0.000 0.273 258 S C 0.030 174.629 174.600 -0.002 0.000 1.148 258 S CA -0.877 57.321 58.200 -0.003 0.000 0.833 258 S CB 2.006 65.203 63.200 -0.004 0.000 1.130 258 S HN -0.239 nan 8.310 nan 0.000 0.470 259 D N 1.229 121.626 120.400 -0.005 0.000 2.092 259 D HA -0.091 4.549 4.640 -0.001 0.000 0.193 259 D C 1.572 177.875 176.300 0.005 0.000 0.994 259 D CA 1.931 55.926 54.000 -0.009 0.000 0.828 259 D CB -0.340 40.452 40.800 -0.013 0.000 0.963 259 D HN 0.701 nan 8.370 nan 0.000 0.450 260 E N 0.712 120.920 120.200 0.012 0.000 2.114 260 E HA -0.204 4.146 4.350 -0.001 0.000 0.199 260 E C 1.997 178.627 176.600 0.051 0.000 1.008 260 E CA 1.107 57.526 56.400 0.031 0.000 0.810 260 E CB -0.286 29.423 29.700 0.015 0.000 0.739 260 E HN 0.304 nan 8.360 nan 0.000 0.456 261 E N -0.204 120.011 120.200 0.025 0.000 2.031 261 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 261 E C 1.845 178.486 176.600 0.067 0.000 0.994 261 E CA 0.770 57.187 56.400 0.028 0.000 0.800 261 E CB -0.238 29.466 29.700 0.007 0.000 0.752 261 E HN 0.183 nan 8.360 nan 0.000 0.447 262 L N 0.534 121.779 121.223 0.037 0.000 1.976 262 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 262 L C 2.052 178.941 176.870 0.032 0.000 1.071 262 L CA 1.674 56.527 54.840 0.022 0.000 0.746 262 L CB -0.641 41.407 42.059 -0.018 0.000 0.890 262 L HN 0.246 nan 8.230 nan 0.000 0.432 263 I N -0.545 120.038 120.570 0.021 0.000 2.118 263 I HA -0.402 3.768 4.170 -0.001 0.000 0.241 263 I C 2.673 178.871 176.117 0.135 0.000 1.070 263 I CA 1.893 63.219 61.300 0.042 0.000 1.327 263 I CB -0.886 37.144 38.000 0.049 0.000 1.034 263 I HN 0.524 nan 8.210 nan 0.000 0.405 264 H N 1.353 120.456 119.070 0.056 0.000 2.353 264 H HA -0.274 4.281 4.556 -0.001 0.000 0.298 264 H C 2.337 177.703 175.328 0.064 0.000 1.103 264 H CA 2.366 58.451 56.048 0.061 0.000 1.293 264 H CB -0.179 29.606 29.762 0.038 0.000 1.372 264 H HN 0.660 nan 8.280 nan 0.000 0.501 265 C N 1.398 120.820 119.300 0.204 0.000 2.440 265 C HA 0.030 4.490 4.460 -0.001 0.000 0.278 265 C C 3.165 178.190 174.990 0.057 0.000 1.295 265 C CA 0.810 59.908 59.018 0.134 0.000 1.738 265 C CB -1.212 26.605 27.740 0.128 0.000 1.987 265 C HN 0.529 nan 8.230 nan 0.000 0.492 266 L N -0.428 120.845 121.223 0.084 0.000 2.217 266 L HA -0.076 4.264 4.340 -0.001 0.000 0.211 266 L C 2.872 179.853 176.870 0.185 0.000 1.107 266 L CA 0.872 55.796 54.840 0.140 0.000 0.783 266 L CB -0.429 41.714 42.059 0.141 0.000 0.919 266 L HN 0.401 nan 8.230 nan 0.000 0.442 267 R N -0.392 120.180 120.500 0.120 0.000 2.276 267 R HA -0.057 4.282 4.340 -0.001 0.000 0.203 267 R C 1.551 177.809 176.300 -0.069 0.000 1.017 267 R CA 0.423 56.527 56.100 0.007 0.000 1.010 267 R CB 0.117 30.398 30.300 -0.030 0.000 0.900 267 R HN 0.281 nan 8.270 nan 0.000 0.469 268 E N 0.513 120.661 120.200 -0.087 0.000 2.447 268 E HA 0.027 4.377 4.350 -0.001 0.000 0.195 268 E C 0.035 176.630 176.600 -0.008 0.000 1.028 268 E CA 0.469 56.824 56.400 -0.075 0.000 0.876 268 E CB 0.315 29.960 29.700 -0.093 0.000 0.885 268 E HN 0.041 nan 8.360 nan 0.000 0.500 269 K N 1.674 122.088 120.400 0.023 0.000 2.237 269 K HA 0.179 4.499 4.320 -0.001 0.000 0.270 269 K C 0.442 177.081 176.600 0.065 0.000 1.015 269 K CA -0.099 56.219 56.287 0.051 0.000 0.949 269 K CB 0.913 33.455 32.500 0.070 0.000 0.976 269 K HN -0.086 nan 8.250 nan 0.000 0.472 270 K N 2.485 122.926 120.400 0.068 0.000 2.258 270 K HA 0.027 4.347 4.320 -0.001 0.000 0.264 270 K C -1.569 175.113 176.600 0.136 0.000 1.007 270 K CA -1.450 54.881 56.287 0.074 0.000 0.941 270 K CB 0.121 32.656 32.500 0.059 0.000 0.966 270 K HN 0.183 nan 8.250 nan 0.000 0.480 271 P HA -0.237 nan 4.420 nan 0.000 0.214 271 P C 1.113 178.606 177.300 0.322 0.000 1.163 271 P CA 1.281 64.558 63.100 0.295 0.000 0.889 271 P CB 0.234 31.950 31.700 0.026 0.000 0.790 272 Q N 0.084 119.995 119.800 0.184 0.000 2.291 272 Q HA -0.183 4.157 4.340 -0.001 0.000 0.206 272 Q C 1.796 177.895 176.000 0.166 0.000 0.976 272 Q CA 1.557 57.464 55.803 0.172 0.000 0.875 272 Q CB -0.822 27.984 28.738 0.114 0.000 0.927 272 Q HN 0.367 nan 8.270 nan 0.000 0.450 273 E N -0.939 119.348 120.200 0.145 0.000 2.152 273 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 273 E C 1.493 178.162 176.600 0.115 0.000 0.983 273 E CA 0.906 57.376 56.400 0.117 0.000 0.818 273 E CB 0.048 29.804 29.700 0.093 0.000 0.758 273 E HN 0.277 nan 8.360 nan 0.000 0.467 274 L N 0.471 121.764 121.223 0.118 0.000 2.131 274 L HA -0.069 4.271 4.340 -0.001 0.000 0.206 274 L C 2.195 179.123 176.870 0.096 0.000 1.087 274 L CA 1.105 55.974 54.840 0.049 0.000 0.767 274 L CB -0.266 41.729 42.059 -0.106 0.000 0.917 274 L HN 0.103 nan 8.230 nan 0.000 0.441 275 I N -0.264 120.417 120.570 0.186 0.000 2.286 275 I HA -0.264 3.906 4.170 -0.001 0.000 0.248 275 I C 1.716 178.003 176.117 0.283 0.000 1.115 275 I CA 1.027 62.485 61.300 0.264 0.000 1.392 275 I CB -0.379 37.830 38.000 0.348 0.000 1.065 275 I HN 0.262 nan 8.210 nan 0.000 0.418 276 D N 0.314 120.854 120.400 0.233 0.000 2.309 276 D HA -0.097 4.542 4.640 -0.001 0.000 0.212 276 D C 1.799 178.222 176.300 0.206 0.000 0.968 276 D CA 1.296 55.432 54.000 0.226 0.000 0.882 276 D CB 0.190 41.089 40.800 0.164 0.000 0.918 276 D HN 0.401 nan 8.370 nan 0.000 0.503 277 V N -2.434 117.583 119.914 0.171 0.000 3.432 277 V HA 0.179 4.299 4.120 -0.001 0.000 0.298 277 V C 1.772 177.943 176.094 0.128 0.000 1.464 277 V CA 0.091 62.477 62.300 0.143 0.000 1.046 277 V CB 0.296 32.182 31.823 0.105 0.000 0.887 277 V HN -0.043 nan 8.190 nan 0.000 0.441 278 E N 0.974 121.242 120.200 0.113 0.000 2.130 278 E HA -0.277 4.073 4.350 -0.001 0.000 0.196 278 E C 1.539 178.039 176.600 -0.167 0.000 0.998 278 E CA 2.469 58.889 56.400 0.034 0.000 0.806 278 E CB -0.339 29.340 29.700 -0.035 0.000 0.738 278 E HN 0.764 nan 8.360 nan 0.000 0.459 279 W N 0.806 122.087 121.300 -0.031 0.000 2.937 279 W HA 0.088 4.748 4.660 -0.001 0.000 0.245 279 W C 1.378 177.851 176.519 -0.076 0.000 1.306 279 W CA 0.013 57.295 57.345 -0.105 0.000 1.470 279 W CB 0.099 29.461 29.460 -0.162 0.000 1.132 279 W HN 0.094 nan 8.180 nan 0.000 0.675 280 N N 0.116 118.894 118.700 0.129 0.000 2.521 280 N HA -0.074 4.666 4.740 -0.001 0.000 0.188 280 N C 1.618 177.134 175.510 0.009 0.000 1.146 280 N CA 1.115 54.210 53.050 0.075 0.000 0.893 280 N CB -0.268 38.262 38.487 0.072 0.000 0.975 280 N HN 0.244 nan 8.380 nan 0.000 0.451 281 V N -2.531 117.354 119.914 -0.049 0.000 3.621 281 V HA 0.274 4.394 4.120 -0.001 0.000 0.285 281 V C 0.733 176.732 176.094 -0.157 0.000 1.346 281 V CA -0.174 62.062 62.300 -0.107 0.000 1.104 281 V CB -0.511 31.224 31.823 -0.146 0.000 0.913 281 V HN -0.025 nan 8.190 nan 0.000 0.432 282 L N 2.674 123.822 121.223 -0.126 0.000 2.525 282 L HA 0.167 4.507 4.340 -0.001 0.000 0.278 282 L C -0.205 176.556 176.870 -0.181 0.000 1.218 282 L CA -0.724 54.037 54.840 -0.131 0.000 0.878 282 L CB 0.631 42.676 42.059 -0.024 0.000 1.127 282 L HN 0.182 nan 8.230 nan 0.000 0.492 283 P HA -0.079 nan 4.420 nan 0.000 0.221 283 P C -0.149 176.731 177.300 -0.700 0.000 1.150 283 P CA 1.246 63.982 63.100 -0.606 0.000 0.800 283 P CB 0.269 31.425 31.700 -0.906 0.000 0.787 284 F N -0.640 119.309 119.950 -0.002 0.000 2.620 284 F HA 0.383 4.909 4.527 -0.001 0.000 0.320 284 F C 0.395 176.203 175.800 0.012 0.000 1.069 284 F CA -1.682 56.324 58.000 0.010 0.000 0.953 284 F CB 0.166 39.178 39.000 0.020 0.000 1.322 284 F HN -0.351 nan 8.300 nan 0.000 0.479 285 D N 1.295 121.837 120.400 0.237 0.000 2.358 285 D HA 0.394 5.034 4.640 -0.001 0.000 0.258 285 D C -0.569 175.808 176.300 0.128 0.000 1.223 285 D CA 0.462 54.540 54.000 0.129 0.000 0.886 285 D CB 0.446 41.302 40.800 0.093 0.000 1.120 285 D HN 0.633 nan 8.370 nan 0.000 0.482 286 S N 3.165 118.925 115.700 0.100 0.000 2.688 286 S HA 0.620 5.089 4.470 -0.001 0.000 0.275 286 S C -0.755 173.878 174.600 0.054 0.000 1.175 286 S CA -1.030 57.221 58.200 0.085 0.000 0.818 286 S CB 1.066 64.341 63.200 0.124 0.000 1.157 286 S HN 0.460 nan 8.310 nan 0.000 0.482 287 I N 0.375 120.977 120.570 0.053 0.000 2.730 287 I HA 0.627 4.796 4.170 -0.001 0.000 0.298 287 I C -0.996 175.164 176.117 0.072 0.000 1.089 287 I CA -0.953 60.388 61.300 0.069 0.000 1.041 287 I CB 1.554 39.600 38.000 0.076 0.000 1.235 287 I HN 0.901 nan 8.210 nan 0.000 0.423 288 F N 5.206 125.057 119.950 -0.165 0.000 3.074 288 F HA -0.212 4.315 4.527 -0.001 0.000 0.287 288 F C -0.663 174.668 175.800 -0.781 0.000 0.932 288 F CA 0.546 58.214 58.000 -0.554 0.000 0.995 288 F CB -0.662 37.906 39.000 -0.720 0.000 0.966 288 F HN 0.476 nan 8.300 nan 0.000 0.721 289 R N 0.457 120.583 120.500 -0.624 0.000 2.621 289 R HA 0.633 4.972 4.340 -0.001 0.000 0.284 289 R C -0.963 174.914 176.300 -0.705 0.000 0.998 289 R CA -0.570 55.191 56.100 -0.565 0.000 0.895 289 R CB 1.381 31.607 30.300 -0.125 0.000 1.195 289 R HN -0.012 nan 8.270 nan 0.000 0.450 290 F N -0.765 119.288 119.950 0.172 0.000 2.561 290 F HA 0.394 4.921 4.527 -0.001 0.000 0.321 290 F C 1.618 177.299 175.800 -0.198 0.000 1.065 290 F CA -0.861 57.139 58.000 -0.001 0.000 0.934 290 F CB 1.578 40.671 39.000 0.155 0.000 1.215 290 F HN 0.354 nan 8.300 nan 0.000 0.471 291 S N 0.509 116.013 115.700 -0.326 0.000 2.344 291 S HA -0.056 4.413 4.470 -0.001 0.000 0.217 291 S C 0.068 174.184 174.600 -0.807 0.000 1.033 291 S CA 1.271 59.057 58.200 -0.689 0.000 1.017 291 S CB -0.271 62.304 63.200 -1.042 0.000 0.941 291 S HN 0.344 nan 8.310 nan 0.000 0.430 292 F N 1.773 121.713 119.950 -0.017 0.000 2.347 292 F HA 0.552 5.078 4.527 -0.001 0.000 0.366 292 F C 0.068 175.868 175.800 -0.001 0.000 1.107 292 F CA -1.035 56.993 58.000 0.048 0.000 1.058 292 F CB 0.942 40.009 39.000 0.112 0.000 1.236 292 F HN -0.063 nan 8.300 nan 0.000 0.456 293 V N 0.746 120.645 119.914 -0.025 0.000 3.158 293 V HA 0.767 4.886 4.120 -0.001 0.000 0.311 293 V C -2.855 172.987 176.094 -0.421 0.000 1.181 293 V CA -3.338 58.673 62.300 -0.481 0.000 1.054 293 V CB 1.928 33.620 31.823 -0.219 0.000 1.085 293 V HN 0.249 nan 8.190 nan 0.000 0.446 294 P HA 0.231 nan 4.420 nan 0.000 0.267 294 P C -0.924 176.299 177.300 -0.128 0.000 1.201 294 P CA 0.322 63.262 63.100 -0.266 0.000 0.775 294 P CB 0.647 32.103 31.700 -0.406 0.000 0.854 295 V N 4.069 123.993 119.914 0.016 0.000 2.709 295 V HA 0.331 4.451 4.120 -0.001 0.000 0.308 295 V C -0.587 175.554 176.094 0.079 0.000 1.062 295 V CA -1.003 61.297 62.300 -0.000 0.000 0.901 295 V CB 1.476 33.314 31.823 0.025 0.000 1.003 295 V HN 0.229 nan 8.190 nan 0.000 0.425 296 I N 6.996 127.546 120.570 -0.034 0.000 2.453 296 I HA 0.181 4.351 4.170 -0.001 0.000 0.300 296 I C 0.922 177.055 176.117 0.026 0.000 1.159 296 I CA 0.398 61.707 61.300 0.015 0.000 1.379 296 I CB -0.205 37.730 38.000 -0.109 0.000 1.460 296 I HN 0.850 nan 8.210 nan 0.000 0.601 297 D N 3.242 123.719 120.400 0.129 0.000 2.367 297 D HA 0.083 4.723 4.640 -0.001 0.000 0.207 297 D C 1.403 177.727 176.300 0.041 0.000 1.034 297 D CA 0.733 54.729 54.000 -0.006 0.000 0.861 297 D CB 0.497 41.376 40.800 0.131 0.000 0.943 297 D HN 0.637 nan 8.370 nan 0.000 0.515 298 G N 0.280 109.153 108.800 0.121 0.000 2.175 298 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.244 298 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.244 298 G C 0.790 175.762 174.900 0.119 0.000 0.982 298 G CA 0.549 45.716 45.100 0.112 0.000 0.641 298 G HN 0.456 nan 8.290 nan 0.000 0.527 299 E N -1.432 118.850 120.200 0.137 0.000 2.592 299 E HA 0.421 4.770 4.350 -0.001 0.000 0.184 299 E C 1.755 178.372 176.600 0.028 0.000 1.056 299 E CA -0.152 56.300 56.400 0.087 0.000 1.151 299 E CB -0.035 29.732 29.700 0.112 0.000 1.435 299 E HN 0.180 nan 8.360 nan 0.000 0.496 300 F N 0.830 120.696 119.950 -0.140 0.000 2.102 300 F HA -0.024 4.502 4.527 -0.001 0.000 0.298 300 F C 0.176 175.671 175.800 -0.508 0.000 1.105 300 F CA 1.156 58.925 58.000 -0.384 0.000 1.239 300 F CB 0.276 38.932 39.000 -0.573 0.000 0.991 300 F HN -0.115 nan 8.300 nan 0.000 0.474 301 F N 0.807 120.911 119.950 0.258 0.000 2.347 301 F HA 0.356 4.883 4.527 -0.001 0.000 0.366 301 F C -1.569 174.275 175.800 0.074 0.000 1.107 301 F CA -2.891 55.199 58.000 0.150 0.000 1.058 301 F CB 0.497 39.575 39.000 0.130 0.000 1.236 301 F HN -0.223 nan 8.300 nan 0.000 0.456 302 P HA -0.146 nan 4.420 nan 0.000 0.215 302 P C 0.568 177.930 177.300 0.104 0.000 1.163 302 P CA 2.069 65.231 63.100 0.103 0.000 0.894 302 P CB 0.165 31.904 31.700 0.064 0.000 0.791 303 T N -6.109 108.514 114.554 0.115 0.000 2.591 303 T HA 0.468 4.818 4.350 -0.001 0.000 0.274 303 T C -0.074 174.665 174.700 0.066 0.000 0.945 303 T CA -0.551 61.594 62.100 0.074 0.000 1.087 303 T CB 0.525 69.422 68.868 0.049 0.000 1.416 303 T HN 0.002 nan 8.240 nan 0.000 0.514 304 S N -0.071 115.645 115.700 0.026 0.000 2.584 304 S HA 0.261 4.731 4.470 -0.001 0.000 0.270 304 S C 1.397 175.996 174.600 -0.001 0.000 1.346 304 S CA -0.773 57.419 58.200 -0.012 0.000 1.018 304 S CB -0.270 62.920 63.200 -0.017 0.000 0.899 304 S HN 0.635 nan 8.310 nan 0.000 0.542 305 L N 0.365 121.553 121.223 -0.058 0.000 2.093 305 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 305 L C 2.899 179.796 176.870 0.044 0.000 1.085 305 L CA 1.587 56.409 54.840 -0.030 0.000 0.755 305 L CB -0.697 41.283 42.059 -0.130 0.000 0.904 305 L HN 0.755 nan 8.230 nan 0.000 0.435 306 E N 0.613 120.835 120.200 0.038 0.000 2.077 306 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 306 E C 2.289 178.943 176.600 0.091 0.000 0.989 306 E CA 1.679 58.132 56.400 0.088 0.000 0.800 306 E CB -0.082 29.662 29.700 0.074 0.000 0.746 306 E HN 0.479 nan 8.360 nan 0.000 0.452 307 S N -0.712 115.026 115.700 0.064 0.000 2.406 307 S HA -0.097 4.373 4.470 -0.001 0.000 0.228 307 S C 2.100 176.741 174.600 0.069 0.000 1.020 307 S CA 1.009 59.245 58.200 0.059 0.000 0.965 307 S CB -0.292 62.931 63.200 0.039 0.000 0.798 307 S HN 0.219 nan 8.310 nan 0.000 0.488 308 M N 0.941 120.597 119.600 0.094 0.000 2.132 308 M HA 0.083 4.562 4.480 -0.001 0.000 0.263 308 M C 2.122 178.553 176.300 0.218 0.000 1.065 308 M CA 1.296 56.676 55.300 0.134 0.000 1.122 308 M CB -0.605 32.104 32.600 0.182 0.000 1.365 308 M HN 0.305 nan 8.290 nan 0.000 0.411 309 L N -0.117 121.235 121.223 0.215 0.000 2.141 309 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 309 L C 2.111 179.128 176.870 0.244 0.000 1.094 309 L CA 0.761 55.752 54.840 0.253 0.000 0.763 309 L CB -0.684 41.442 42.059 0.112 0.000 0.908 309 L HN 0.371 nan 8.230 nan 0.000 0.437 310 N N -0.458 118.333 118.700 0.153 0.000 2.300 310 N HA -0.094 4.646 4.740 -0.001 0.000 0.179 310 N C 1.893 177.472 175.510 0.114 0.000 1.016 310 N CA 1.512 54.652 53.050 0.150 0.000 0.876 310 N CB 0.085 38.638 38.487 0.111 0.000 0.979 310 N HN 0.312 nan 8.380 nan 0.000 0.432 311 S N -1.007 114.683 115.700 -0.016 0.000 2.575 311 S HA 0.247 4.716 4.470 -0.001 0.000 0.215 311 S C 1.324 175.580 174.600 -0.573 0.000 0.966 311 S CA 0.383 58.493 58.200 -0.149 0.000 0.911 311 S CB 0.277 63.416 63.200 -0.100 0.000 0.780 311 S HN 0.336 nan 8.310 nan 0.000 0.514 312 G N 2.067 110.301 108.800 -0.944 0.000 2.160 312 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.251 312 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.251 312 G C 0.003 174.041 174.900 -1.437 0.000 1.008 312 G CA 0.086 43.964 45.100 -2.037 0.000 0.724 312 G HN 0.583 nan 8.290 nan 0.000 0.514 313 N N 0.622 118.913 118.700 -0.682 0.000 2.895 313 N HA 0.499 5.239 4.740 -0.001 0.000 0.277 313 N C -0.175 175.280 175.510 -0.091 0.000 1.185 313 N CA -0.044 52.809 53.050 -0.329 0.000 1.106 313 N CB -0.924 37.500 38.487 -0.105 0.000 1.422 313 N HN 0.734 nan 8.380 nan 0.000 0.521 314 F N -1.211 118.676 119.950 -0.104 0.000 2.799 314 F HA 0.366 4.893 4.527 -0.000 0.000 0.316 314 F C -0.371 175.437 175.800 0.014 0.000 1.155 314 F CA -1.426 56.581 58.000 0.012 0.000 0.916 314 F CB 0.568 39.636 39.000 0.114 0.000 1.294 314 F HN -0.157 nan 8.300 nan 0.000 0.447 315 K N 1.841 122.463 120.400 0.369 0.000 2.472 315 K HA 0.163 4.483 4.320 -0.001 0.000 0.280 315 K C -1.021 175.800 176.600 0.368 0.000 1.028 315 K CA -0.024 56.402 56.287 0.232 0.000 1.045 315 K CB 0.450 33.039 32.500 0.150 0.000 0.902 315 K HN 0.664 nan 8.250 nan 0.000 0.478 316 K N 2.751 123.249 120.400 0.164 0.000 2.253 316 K HA 0.215 4.535 4.320 -0.001 0.000 0.277 316 K C -0.195 176.519 176.600 0.191 0.000 1.053 316 K CA -0.229 56.157 56.287 0.165 0.000 0.892 316 K CB 1.892 34.401 32.500 0.014 0.000 1.102 316 K HN 0.697 nan 8.250 nan 0.000 0.469 317 T N 1.305 116.058 114.554 0.331 0.000 2.646 317 T HA 0.294 4.643 4.350 -0.001 0.000 0.297 317 T C -1.451 173.442 174.700 0.321 0.000 1.363 317 T CA -0.650 61.595 62.100 0.242 0.000 1.056 317 T CB 0.536 69.514 68.868 0.184 0.000 1.779 317 T HN 0.394 nan 8.240 nan 0.000 0.459 318 Q N 0.906 120.861 119.800 0.259 0.000 2.235 318 Q HA 0.782 5.122 4.340 -0.001 0.000 0.256 318 Q C -0.469 175.797 176.000 0.443 0.000 0.951 318 Q CA -0.513 55.494 55.803 0.341 0.000 0.890 318 Q CB 1.579 30.502 28.738 0.308 0.000 1.279 318 Q HN 0.684 nan 8.270 nan 0.000 0.444 319 I N -1.441 119.349 120.570 0.367 0.000 2.769 319 I HA 0.682 4.852 4.170 -0.001 0.000 0.298 319 I C -1.534 174.495 176.117 -0.146 0.000 1.128 319 I CA -1.352 60.049 61.300 0.169 0.000 1.031 319 I CB 1.883 39.803 38.000 -0.134 0.000 1.235 319 I HN 0.527 nan 8.210 nan 0.000 0.423 320 L N 6.718 127.646 121.223 -0.491 0.000 2.381 320 L HA 0.796 5.136 4.340 -0.001 0.000 0.274 320 L C -1.294 175.386 176.870 -0.316 0.000 0.988 320 L CA -0.525 53.901 54.840 -0.690 0.000 0.824 320 L CB 1.654 42.766 42.059 -1.579 0.000 1.263 320 L HN 0.831 nan 8.230 nan 0.000 0.410 321 L N 2.336 123.503 121.223 -0.094 0.000 2.720 321 L HA 1.103 5.443 4.340 -0.001 0.000 0.261 321 L C -0.795 175.934 176.870 -0.236 0.000 1.046 321 L CA -0.468 54.355 54.840 -0.028 0.000 0.886 321 L CB 1.885 43.903 42.059 -0.067 0.000 1.493 321 L HN 0.666 nan 8.230 nan 0.000 0.407 322 G N -0.127 108.337 108.800 -0.560 0.000 2.428 322 G HA2 0.593 4.553 3.960 -0.001 0.000 0.304 322 G HA3 0.593 4.553 3.960 -0.001 0.000 0.304 322 G C -1.502 173.070 174.900 -0.547 0.000 1.303 322 G CA 0.017 44.446 45.100 -1.120 0.000 0.825 322 G HN 1.463 nan 8.290 nan 0.000 0.484 323 V N -2.634 117.096 119.914 -0.307 0.000 3.167 323 V HA 0.860 4.980 4.120 -0.001 0.000 0.310 323 V C -0.988 175.182 176.094 0.127 0.000 1.207 323 V CA -1.459 60.866 62.300 0.042 0.000 1.059 323 V CB 1.872 33.752 31.823 0.095 0.000 1.079 323 V HN 0.659 nan 8.190 nan 0.000 0.446 324 N N 0.807 119.600 118.700 0.156 0.000 2.492 324 N HA 0.421 5.160 4.740 -0.001 0.000 0.289 324 N C 0.570 176.033 175.510 -0.077 0.000 1.133 324 N CA -0.499 52.627 53.050 0.125 0.000 0.961 324 N CB 1.773 40.426 38.487 0.276 0.000 1.186 324 N HN 0.923 nan 8.380 nan 0.000 0.493 325 K N 0.190 120.431 120.400 -0.265 0.000 2.063 325 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 325 K C -0.601 176.071 176.600 0.119 0.000 1.048 325 K CA 1.323 57.511 56.287 -0.165 0.000 0.928 325 K CB 0.202 32.636 32.500 -0.110 0.000 0.713 325 K HN 0.520 nan 8.250 nan 0.000 0.442 326 D N 0.990 121.471 120.400 0.135 0.000 2.943 326 D HA 0.032 4.672 4.640 -0.001 0.000 0.347 326 D C 0.148 176.574 176.300 0.210 0.000 1.305 326 D CA -0.070 54.035 54.000 0.176 0.000 0.870 326 D CB 1.124 42.016 40.800 0.152 0.000 1.081 326 D HN 0.176 nan 8.370 nan 0.000 0.492 327 E N 0.389 120.725 120.200 0.227 0.000 2.219 327 E HA -0.139 4.211 4.350 -0.001 0.000 0.198 327 E C 1.905 178.670 176.600 0.275 0.000 0.998 327 E CA 0.762 57.327 56.400 0.274 0.000 0.818 327 E CB 0.137 29.976 29.700 0.232 0.000 0.741 327 E HN 0.406 nan 8.360 nan 0.000 0.477 328 G N 1.200 110.141 108.800 0.235 0.000 2.603 328 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.214 328 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.214 328 G C 1.687 176.763 174.900 0.294 0.000 1.140 328 G CA 0.699 45.962 45.100 0.272 0.000 0.800 328 G HN 0.360 nan 8.290 nan 0.000 0.533 329 S N 0.474 116.310 115.700 0.227 0.000 2.402 329 S HA -0.184 4.286 4.470 -0.001 0.000 0.233 329 S C 2.047 176.681 174.600 0.056 0.000 1.030 329 S CA 1.132 59.440 58.200 0.179 0.000 1.003 329 S CB -0.531 62.713 63.200 0.073 0.000 0.813 329 S HN 0.187 nan 8.310 nan 0.000 0.477 330 F N 1.687 121.568 119.950 -0.115 0.000 2.146 330 F HA 0.131 4.658 4.527 -0.001 0.000 0.298 330 F C 1.639 177.184 175.800 -0.425 0.000 1.096 330 F CA 0.774 58.537 58.000 -0.395 0.000 1.275 330 F CB -0.415 38.182 39.000 -0.672 0.000 1.008 330 F HN 0.182 nan 8.300 nan 0.000 0.480 331 F N -0.775 119.194 119.950 0.031 0.000 2.558 331 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 331 F C 1.990 177.766 175.800 -0.041 0.000 1.119 331 F CA 0.589 58.561 58.000 -0.047 0.000 1.451 331 F CB -0.888 38.015 39.000 -0.162 0.000 1.091 331 F HN -0.099 nan 8.300 nan 0.000 0.563 332 L N -0.933 120.305 121.223 0.025 0.000 2.162 332 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 332 L C 2.376 179.114 176.870 -0.220 0.000 1.086 332 L CA 0.341 54.978 54.840 -0.339 0.000 0.778 332 L CB -0.504 41.017 42.059 -0.897 0.000 0.928 332 L HN 0.130 nan 8.230 nan 0.000 0.446 333 L N -0.952 120.321 121.223 0.083 0.000 2.012 333 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 333 L C 2.322 179.356 176.870 0.274 0.000 1.073 333 L CA 2.076 57.110 54.840 0.323 0.000 0.748 333 L CB -0.624 41.614 42.059 0.298 0.000 0.891 333 L HN 0.120 nan 8.230 nan 0.000 0.431 334 Y N -0.707 119.623 120.300 0.050 0.000 2.337 334 Y HA 0.180 4.730 4.550 -0.001 0.000 0.293 334 Y C 2.299 178.197 175.900 -0.003 0.000 1.123 334 Y CA 1.022 59.145 58.100 0.038 0.000 1.201 334 Y CB -0.362 38.107 38.460 0.015 0.000 1.011 334 Y HN 0.278 nan 8.280 nan 0.000 0.545 335 G N -1.711 107.175 108.800 0.143 0.000 3.443 335 G HA2 0.464 4.424 3.960 -0.001 0.000 0.252 335 G HA3 0.464 4.424 3.960 -0.001 0.000 0.252 335 G C -0.227 174.704 174.900 0.051 0.000 1.015 335 G CA 0.360 45.501 45.100 0.068 0.000 0.891 335 G HN 0.271 nan 8.290 nan 0.000 0.510 336 A N 1.817 124.666 122.820 0.048 0.000 2.304 336 A HA 0.795 5.115 4.320 -0.001 0.000 0.323 336 A C -2.455 175.268 177.584 0.231 0.000 1.195 336 A CA -1.588 50.502 52.037 0.089 0.000 0.826 336 A CB 1.330 20.317 19.000 -0.021 0.000 1.184 336 A HN 0.068 nan 8.150 nan 0.000 0.496 337 P HA 0.217 nan 4.420 nan 0.000 0.265 337 P C 0.894 178.293 177.300 0.165 0.000 1.193 337 P CA 1.572 64.756 63.100 0.140 0.000 0.765 337 P CB 1.054 32.802 31.700 0.079 0.000 0.823 338 G N 1.831 110.669 108.800 0.064 0.000 2.254 338 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.225 338 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.225 338 G C -0.227 174.516 174.900 -0.262 0.000 1.003 338 G CA -0.487 44.541 45.100 -0.120 0.000 0.622 338 G HN 0.431 nan 8.290 nan 0.000 0.507 339 F N 2.152 122.041 119.950 -0.102 0.000 2.394 339 F HA 0.750 5.276 4.527 -0.001 0.000 0.340 339 F C 0.704 176.500 175.800 -0.008 0.000 1.105 339 F CA -0.331 57.575 58.000 -0.157 0.000 1.124 339 F CB 2.126 41.068 39.000 -0.097 0.000 1.145 339 F HN 0.041 nan 8.300 nan 0.000 0.505 340 S N 1.456 117.269 115.700 0.188 0.000 2.546 340 S HA 0.263 4.732 4.470 -0.001 0.000 0.274 340 S C 0.569 175.402 174.600 0.389 0.000 1.121 340 S CA -1.101 57.241 58.200 0.237 0.000 0.887 340 S CB 2.250 65.510 63.200 0.101 0.000 1.094 340 S HN 0.714 nan 8.310 nan 0.000 0.474 341 K N 0.661 121.231 120.400 0.283 0.000 2.148 341 K HA -0.043 4.276 4.320 -0.001 0.000 0.204 341 K C -0.137 176.525 176.600 0.102 0.000 1.050 341 K CA 1.307 57.682 56.287 0.146 0.000 0.942 341 K CB 0.057 32.382 32.500 -0.292 0.000 0.724 341 K HN 0.458 nan 8.250 nan 0.000 0.446 342 D N 0.491 120.935 120.400 0.074 0.000 2.388 342 D HA 0.024 4.663 4.640 -0.001 0.000 0.221 342 D C -0.084 176.263 176.300 0.077 0.000 1.133 342 D CA 0.132 54.156 54.000 0.040 0.000 0.831 342 D CB 0.805 41.596 40.800 -0.016 0.000 0.962 342 D HN 0.176 nan 8.370 nan 0.000 0.502 343 S N -1.208 114.571 115.700 0.132 0.000 2.661 343 S HA 0.320 4.790 4.470 -0.001 0.000 0.285 343 S C 0.688 175.338 174.600 0.082 0.000 1.138 343 S CA -0.715 57.525 58.200 0.066 0.000 0.855 343 S CB 2.255 65.449 63.200 -0.011 0.000 1.136 343 S HN -0.151 nan 8.310 nan 0.000 0.484 344 E N 0.842 121.041 120.200 -0.002 0.000 2.409 344 E HA 0.039 4.389 4.350 -0.001 0.000 0.198 344 E C -0.299 176.066 176.600 -0.391 0.000 1.024 344 E CA 0.594 56.969 56.400 -0.042 0.000 0.861 344 E CB -0.272 29.413 29.700 -0.026 0.000 0.788 344 E HN 0.713 nan 8.360 nan 0.000 0.521 345 S N 1.081 116.499 115.700 -0.470 0.000 3.628 345 S HA -0.181 4.289 4.470 -0.001 0.000 0.373 345 S C -0.300 173.911 174.600 -0.649 0.000 0.968 345 S CA 0.646 58.413 58.200 -0.723 0.000 1.215 345 S CB -1.198 61.194 63.200 -1.347 0.000 0.912 345 S HN 0.282 nan 8.310 nan 0.000 0.495 346 K N 0.918 121.086 120.400 -0.386 0.000 2.368 346 K HA 0.296 4.616 4.320 -0.001 0.000 0.282 346 K C 0.327 176.733 176.600 -0.324 0.000 1.035 346 K CA -0.148 55.962 56.287 -0.293 0.000 0.973 346 K CB 0.415 32.809 32.500 -0.178 0.000 0.957 346 K HN 0.211 nan 8.250 nan 0.000 0.474 347 I N 2.570 122.957 120.570 -0.305 0.000 2.392 347 I HA 0.074 4.244 4.170 -0.001 0.000 0.295 347 I C 1.008 177.053 176.117 -0.119 0.000 0.985 347 I CA -0.320 60.831 61.300 -0.249 0.000 1.221 347 I CB 1.276 39.130 38.000 -0.244 0.000 1.366 347 I HN 0.694 nan 8.210 nan 0.000 0.467 348 S N 6.740 122.392 115.700 -0.081 0.000 2.655 348 S HA 0.362 4.831 4.470 -0.001 0.000 0.265 348 S C 1.237 175.844 174.600 0.011 0.000 1.240 348 S CA -0.510 57.664 58.200 -0.043 0.000 0.986 348 S CB 1.431 64.612 63.200 -0.032 0.000 0.985 348 S HN 0.511 nan 8.310 nan 0.000 0.562 349 R N 1.098 121.602 120.500 0.006 0.000 2.081 349 R HA -0.068 4.272 4.340 -0.001 0.000 0.235 349 R C 2.228 178.604 176.300 0.127 0.000 1.131 349 R CA 1.648 57.778 56.100 0.051 0.000 0.960 349 R CB -1.084 29.236 30.300 0.033 0.000 0.856 349 R HN 0.809 nan 8.270 nan 0.000 0.436 350 E N 0.887 121.133 120.200 0.077 0.000 2.035 350 E HA -0.216 4.133 4.350 -0.001 0.000 0.204 350 E C 1.536 178.187 176.600 0.086 0.000 1.025 350 E CA 1.380 57.824 56.400 0.072 0.000 0.835 350 E CB -0.480 29.244 29.700 0.040 0.000 0.764 350 E HN 0.345 nan 8.360 nan 0.000 0.457 351 D N 0.034 120.478 120.400 0.073 0.000 2.218 351 D HA -0.104 4.535 4.640 -0.001 0.000 0.204 351 D C 1.750 178.123 176.300 0.121 0.000 0.976 351 D CA 0.422 54.467 54.000 0.076 0.000 0.853 351 D CB -0.408 40.411 40.800 0.031 0.000 0.939 351 D HN 0.092 nan 8.370 nan 0.000 0.481 352 F N 1.260 121.218 119.950 0.013 0.000 2.075 352 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 352 F C 2.349 178.174 175.800 0.043 0.000 1.113 352 F CA 1.334 59.352 58.000 0.029 0.000 1.218 352 F CB -0.251 38.744 39.000 -0.007 0.000 0.984 352 F HN -0.189 nan 8.300 nan 0.000 0.472 353 M N -0.960 118.711 119.600 0.119 0.000 2.296 353 M HA -0.186 4.294 4.480 -0.001 0.000 0.265 353 M C 2.342 178.618 176.300 -0.040 0.000 1.064 353 M CA 1.342 56.654 55.300 0.021 0.000 1.109 353 M CB -0.541 32.137 32.600 0.130 0.000 1.396 353 M HN 0.114 nan 8.290 nan 0.000 0.430 354 S N 0.294 115.992 115.700 -0.004 0.000 2.383 354 S HA -0.042 4.427 4.470 -0.001 0.000 0.227 354 S C 1.933 176.515 174.600 -0.031 0.000 1.026 354 S CA 1.352 59.552 58.200 -0.001 0.000 0.981 354 S CB -0.382 62.837 63.200 0.031 0.000 0.818 354 S HN 0.659 nan 8.310 nan 0.000 0.472 355 G N 0.698 109.461 108.800 -0.062 0.000 2.408 355 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.217 355 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.217 355 G C 1.433 176.240 174.900 -0.155 0.000 1.150 355 G CA 0.896 45.950 45.100 -0.078 0.000 0.776 355 G HN 0.425 nan 8.290 nan 0.000 0.542 356 V N 0.988 120.744 119.914 -0.264 0.000 2.343 356 V HA -0.148 3.971 4.120 -0.001 0.000 0.247 356 V C 2.693 178.713 176.094 -0.123 0.000 1.051 356 V CA 2.211 64.373 62.300 -0.230 0.000 1.036 356 V CB -0.330 31.332 31.823 -0.269 0.000 0.654 356 V HN 0.361 nan 8.190 nan 0.000 0.451 357 K N 0.129 120.472 120.400 -0.096 0.000 2.097 357 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 357 K C 1.728 178.291 176.600 -0.062 0.000 1.049 357 K CA 1.524 57.767 56.287 -0.073 0.000 0.933 357 K CB -0.473 31.999 32.500 -0.045 0.000 0.717 357 K HN 0.279 nan 8.250 nan 0.000 0.442 358 L N 0.242 121.439 121.223 -0.043 0.000 2.240 358 L HA 0.054 4.393 4.340 -0.001 0.000 0.211 358 L C 1.853 178.717 176.870 -0.010 0.000 1.106 358 L CA 1.395 56.227 54.840 -0.013 0.000 0.793 358 L CB -0.419 41.640 42.059 0.000 0.000 0.927 358 L HN 0.103 nan 8.230 nan 0.000 0.446 359 S N -1.794 113.882 115.700 -0.040 0.000 2.458 359 S HA 0.097 4.567 4.470 -0.001 0.000 0.223 359 S C 0.902 175.479 174.600 -0.039 0.000 1.019 359 S CA 0.248 58.429 58.200 -0.031 0.000 0.937 359 S CB 0.375 63.533 63.200 -0.070 0.000 0.788 359 S HN 0.116 nan 8.310 nan 0.000 0.511 360 V N 3.588 123.446 119.914 -0.093 0.000 2.361 360 V HA 0.211 4.331 4.120 -0.001 0.000 0.252 360 V C -1.706 174.270 176.094 -0.197 0.000 0.986 360 V CA -1.416 60.778 62.300 -0.176 0.000 1.033 360 V CB 0.766 32.451 31.823 -0.229 0.000 1.282 360 V HN 0.190 nan 8.190 nan 0.000 0.514 361 P HA -0.212 nan 4.420 nan 0.000 0.217 361 P C 1.153 178.092 177.300 -0.602 0.000 1.148 361 P CA 1.673 64.624 63.100 -0.248 0.000 0.828 361 P CB 0.029 31.694 31.700 -0.059 0.000 0.783 362 H N -0.823 117.940 119.070 -0.512 0.000 2.547 362 H HA 0.441 4.997 4.556 -0.001 0.000 0.266 362 H C 0.491 175.641 175.328 -0.296 0.000 0.988 362 H CA -0.151 55.600 56.048 -0.495 0.000 1.147 362 H CB -0.783 28.867 29.762 -0.186 0.000 1.365 362 H HN 0.002 nan 8.280 nan 0.000 0.589 363 A N 2.383 124.875 122.820 -0.546 0.000 2.331 363 A HA 0.265 4.584 4.320 -0.001 0.000 0.283 363 A C 0.382 177.825 177.584 -0.233 0.000 1.142 363 A CA -0.536 51.267 52.037 -0.390 0.000 0.812 363 A CB 0.413 19.188 19.000 -0.376 0.000 1.074 363 A HN 0.645 nan 8.150 nan 0.000 0.497 364 N N 1.582 120.182 118.700 -0.166 0.000 2.322 364 N HA 0.072 4.812 4.740 -0.001 0.000 0.270 364 N C -0.020 175.437 175.510 -0.087 0.000 1.286 364 N CA -0.132 52.854 53.050 -0.107 0.000 0.948 364 N CB 0.124 38.563 38.487 -0.079 0.000 1.164 364 N HN 0.476 nan 8.380 nan 0.000 0.551 365 D N -1.090 119.277 120.400 -0.054 0.000 2.178 365 D HA -0.100 4.540 4.640 -0.001 0.000 0.201 365 D C 1.660 177.948 176.300 -0.020 0.000 0.980 365 D CA 0.625 54.606 54.000 -0.032 0.000 0.842 365 D CB -0.228 40.562 40.800 -0.016 0.000 0.948 365 D HN 0.470 nan 8.370 nan 0.000 0.472 366 L N 0.370 121.577 121.223 -0.026 0.000 2.046 366 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 366 L C 2.118 178.983 176.870 -0.009 0.000 1.077 366 L CA 1.960 56.793 54.840 -0.011 0.000 0.747 366 L CB -0.857 41.187 42.059 -0.024 0.000 0.896 366 L HN 0.065 nan 8.230 nan 0.000 0.432 367 G N -0.480 108.288 108.800 -0.054 0.000 2.418 367 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 367 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 367 G C 1.597 176.485 174.900 -0.020 0.000 1.158 367 G CA 0.984 46.042 45.100 -0.071 0.000 0.771 367 G HN 0.428 nan 8.290 nan 0.000 0.545 368 L N 0.483 121.687 121.223 -0.031 0.000 2.083 368 L HA -0.077 4.263 4.340 -0.001 0.000 0.209 368 L C 2.448 179.354 176.870 0.060 0.000 1.083 368 L CA 1.146 55.984 54.840 -0.003 0.000 0.752 368 L CB -0.330 41.716 42.059 -0.021 0.000 0.899 368 L HN 0.102 nan 8.230 nan 0.000 0.433 369 D N 0.072 120.513 120.400 0.069 0.000 2.144 369 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 369 D C 2.253 178.640 176.300 0.145 0.000 0.978 369 D CA 1.378 55.444 54.000 0.110 0.000 0.833 369 D CB -0.046 40.804 40.800 0.083 0.000 0.961 369 D HN 0.287 nan 8.370 nan 0.000 0.470 370 A N 0.689 123.604 122.820 0.158 0.000 1.883 370 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 370 A C 2.528 180.233 177.584 0.201 0.000 1.186 370 A CA 1.491 53.680 52.037 0.253 0.000 0.624 370 A CB -0.853 18.380 19.000 0.389 0.000 0.822 370 A HN 0.140 nan 8.150 nan 0.000 0.444 371 V N -0.360 119.682 119.914 0.212 0.000 2.255 371 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 371 V C 2.738 178.939 176.094 0.180 0.000 1.051 371 V CA 2.559 64.941 62.300 0.136 0.000 1.018 371 V CB -1.455 30.464 31.823 0.159 0.000 0.641 371 V HN 0.601 nan 8.190 nan 0.000 0.445 372 T N 0.528 115.207 114.554 0.209 0.000 2.699 372 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 372 T C 1.873 176.761 174.700 0.313 0.000 1.036 372 T CA 2.040 64.336 62.100 0.327 0.000 1.147 372 T CB -0.376 68.687 68.868 0.326 0.000 0.862 372 T HN 0.307 nan 8.240 nan 0.000 0.446 373 L N 1.118 122.502 121.223 0.268 0.000 2.056 373 L HA 0.028 4.368 4.340 -0.001 0.000 0.207 373 L C 2.394 179.322 176.870 0.098 0.000 1.078 373 L CA 1.770 56.790 54.840 0.300 0.000 0.749 373 L CB -0.819 41.369 42.059 0.214 0.000 0.901 373 L HN 0.100 nan 8.230 nan 0.000 0.433 374 Q N -1.501 118.243 119.800 -0.093 0.000 2.291 374 Q HA -0.163 4.177 4.340 -0.001 0.000 0.205 374 Q C 0.925 176.670 176.000 -0.425 0.000 0.970 374 Q CA 1.692 57.258 55.803 -0.396 0.000 0.876 374 Q CB -0.138 28.023 28.738 -0.962 0.000 0.935 374 Q HN 0.693 nan 8.270 nan 0.000 0.455 375 Y N -1.488 118.767 120.300 -0.075 0.000 2.557 375 Y HA 0.336 4.886 4.550 -0.001 0.000 0.247 375 Y C -0.180 175.672 175.900 -0.080 0.000 1.164 375 Y CA -0.267 57.837 58.100 0.008 0.000 1.218 375 Y CB 1.102 39.667 38.460 0.176 0.000 1.210 375 Y HN -0.182 nan 8.280 nan 0.000 0.529 376 T N 0.546 115.021 114.554 -0.131 0.000 2.859 376 T HA 0.147 4.496 4.350 -0.001 0.000 0.281 376 T C -0.968 173.382 174.700 -0.583 0.000 1.005 376 T CA -0.604 61.171 62.100 -0.541 0.000 1.025 376 T CB 1.256 69.514 68.868 -1.017 0.000 0.977 376 T HN -0.031 nan 8.240 nan 0.000 0.458 377 D N 1.580 121.651 120.400 -0.548 0.000 2.443 377 D HA 0.168 4.807 4.640 -0.001 0.000 0.221 377 D C -0.022 176.039 176.300 -0.399 0.000 1.097 377 D CA -0.867 52.929 54.000 -0.340 0.000 0.865 377 D CB 0.355 41.034 40.800 -0.203 0.000 1.034 377 D HN 0.585 nan 8.370 nan 0.000 0.511 378 W N 3.043 124.307 121.300 -0.061 0.000 2.848 378 W HA 0.030 4.690 4.660 -0.001 0.000 0.241 378 W C 1.861 178.352 176.519 -0.046 0.000 1.289 378 W CA 0.013 57.326 57.345 -0.054 0.000 1.396 378 W CB -0.149 29.285 29.460 -0.044 0.000 1.138 378 W HN 0.388 nan 8.180 nan 0.000 0.677 379 M N -0.747 118.901 119.600 0.079 0.000 2.556 379 M HA 0.052 4.532 4.480 -0.001 0.000 0.245 379 M C 0.047 176.349 176.300 0.004 0.000 1.128 379 M CA 1.105 56.435 55.300 0.049 0.000 1.069 379 M CB 0.186 32.801 32.600 0.025 0.000 1.469 379 M HN -0.199 nan 8.290 nan 0.000 0.494 380 D N 0.247 120.619 120.400 -0.046 0.000 3.407 380 D HA -0.008 4.631 4.640 -0.001 0.000 0.291 380 D C 0.339 176.551 176.300 -0.147 0.000 1.309 380 D CA 0.027 53.983 54.000 -0.074 0.000 0.747 380 D CB 0.303 41.061 40.800 -0.070 0.000 1.343 380 D HN 0.176 nan 8.370 nan 0.000 0.631 381 D N -0.617 119.689 120.400 -0.158 0.000 2.264 381 D HA -0.121 4.518 4.640 -0.001 0.000 0.208 381 D C 0.570 176.734 176.300 -0.225 0.000 0.966 381 D CA 0.336 54.167 54.000 -0.282 0.000 0.864 381 D CB 0.147 40.785 40.800 -0.270 0.000 0.933 381 D HN 0.159 nan 8.370 nan 0.000 0.499 382 N N 0.533 119.156 118.700 -0.129 0.000 2.268 382 N HA -0.017 4.722 4.740 -0.001 0.000 0.204 382 N C -0.264 175.181 175.510 -0.108 0.000 1.124 382 N CA -0.156 52.831 53.050 -0.106 0.000 0.838 382 N CB -0.082 38.371 38.487 -0.057 0.000 0.994 382 N HN 0.405 nan 8.380 nan 0.000 0.489 383 N N 0.196 118.820 118.700 -0.126 0.000 2.416 383 N HA 0.049 4.789 4.740 -0.001 0.000 0.265 383 N C 1.480 176.918 175.510 -0.120 0.000 1.195 383 N CA -0.265 52.721 53.050 -0.106 0.000 0.943 383 N CB 0.657 39.083 38.487 -0.100 0.000 1.115 383 N HN 0.049 nan 8.380 nan 0.000 0.481 384 G N 3.779 112.517 108.800 -0.104 0.000 2.442 384 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 384 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 384 G C 1.279 176.111 174.900 -0.113 0.000 1.141 384 G CA 0.610 45.639 45.100 -0.118 0.000 0.763 384 G HN 0.687 nan 8.290 nan 0.000 0.554 385 I N -0.150 120.372 120.570 -0.080 0.000 2.439 385 I HA -0.061 4.109 4.170 -0.001 0.000 0.251 385 I C 2.729 178.832 176.117 -0.023 0.000 1.139 385 I CA 0.875 62.148 61.300 -0.045 0.000 1.438 385 I CB -0.081 37.909 38.000 -0.016 0.000 1.085 385 I HN 0.117 nan 8.210 nan 0.000 0.427 386 K N 0.546 120.913 120.400 -0.055 0.000 2.155 386 K HA -0.077 4.243 4.320 -0.001 0.000 0.203 386 K C 1.786 178.342 176.600 -0.073 0.000 1.052 386 K CA 0.939 57.191 56.287 -0.058 0.000 0.948 386 K CB -0.066 32.369 32.500 -0.107 0.000 0.728 386 K HN 0.282 nan 8.250 nan 0.000 0.448 387 N N 0.914 119.532 118.700 -0.137 0.000 2.216 387 N HA -0.147 4.593 4.740 -0.001 0.000 0.183 387 N C 1.707 177.317 175.510 0.167 0.000 1.017 387 N CA 0.774 53.742 53.050 -0.136 0.000 0.861 387 N CB -0.158 38.203 38.487 -0.211 0.000 0.986 387 N HN 0.173 nan 8.380 nan 0.000 0.428 388 R N 1.425 121.962 120.500 0.061 0.000 2.070 388 R HA -0.110 4.230 4.340 -0.001 0.000 0.233 388 R C 0.664 177.120 176.300 0.260 0.000 1.137 388 R CA 1.541 57.702 56.100 0.102 0.000 0.945 388 R CB -0.232 30.017 30.300 -0.086 0.000 0.845 388 R HN 0.124 nan 8.270 nan 0.000 0.430 389 D N -0.590 119.930 120.400 0.201 0.000 2.178 389 D HA -0.084 4.555 4.640 -0.001 0.000 0.201 389 D C 1.730 178.182 176.300 0.254 0.000 0.980 389 D CA 1.358 55.497 54.000 0.233 0.000 0.842 389 D CB -0.468 40.440 40.800 0.180 0.000 0.948 389 D HN 0.525 nan 8.370 nan 0.000 0.472 390 G N 0.749 109.708 108.800 0.265 0.000 2.408 390 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 390 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 390 G C 1.572 176.663 174.900 0.318 0.000 1.150 390 G CA 0.183 45.496 45.100 0.355 0.000 0.776 390 G HN 0.177 nan 8.290 nan 0.000 0.542 391 L N 0.815 122.254 121.223 0.360 0.000 2.109 391 L HA 0.044 4.384 4.340 -0.001 0.000 0.207 391 L C 2.263 179.199 176.870 0.110 0.000 1.086 391 L CA 1.589 56.526 54.840 0.162 0.000 0.760 391 L CB -0.455 41.773 42.059 0.281 0.000 0.910 391 L HN 0.163 nan 8.230 nan 0.000 0.437 392 D N -0.561 119.967 120.400 0.213 0.000 2.097 392 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 392 D C 1.513 177.899 176.300 0.144 0.000 0.989 392 D CA 1.269 55.390 54.000 0.201 0.000 0.827 392 D CB 0.200 41.174 40.800 0.290 0.000 0.966 392 D HN 0.312 nan 8.370 nan 0.000 0.456 393 D N 0.227 120.723 120.400 0.161 0.000 2.117 393 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 393 D C 2.327 178.640 176.300 0.022 0.000 0.987 393 D CA 0.374 54.482 54.000 0.179 0.000 0.829 393 D CB -0.291 40.724 40.800 0.358 0.000 0.961 393 D HN 0.359 nan 8.370 nan 0.000 0.460 394 I N 0.504 120.929 120.570 -0.243 0.000 2.127 394 I HA -0.271 3.899 4.170 -0.001 0.000 0.241 394 I C 2.415 178.397 176.117 -0.225 0.000 1.075 394 I CA 0.812 61.884 61.300 -0.380 0.000 1.334 394 I CB -0.246 37.502 38.000 -0.421 0.000 1.040 394 I HN -0.093 nan 8.210 nan 0.000 0.405 395 V N 0.942 120.775 119.914 -0.135 0.000 2.287 395 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 395 V C 2.533 178.523 176.094 -0.174 0.000 1.053 395 V CA 2.245 64.475 62.300 -0.118 0.000 1.027 395 V CB -1.530 30.292 31.823 -0.002 0.000 0.646 395 V HN 0.603 nan 8.190 nan 0.000 0.447 396 G N -0.484 108.277 108.800 -0.065 0.000 2.402 396 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 396 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 396 G C 1.235 176.066 174.900 -0.116 0.000 1.162 396 G CA 0.907 45.982 45.100 -0.042 0.000 0.777 396 G HN 0.493 nan 8.290 nan 0.000 0.539 397 D N -0.052 120.285 120.400 -0.105 0.000 2.084 397 D HA -0.106 4.534 4.640 -0.001 0.000 0.194 397 D C 2.101 178.105 176.300 -0.494 0.000 0.990 397 D CA 1.388 55.300 54.000 -0.146 0.000 0.826 397 D CB -0.518 40.335 40.800 0.088 0.000 0.971 397 D HN 0.417 nan 8.370 nan 0.000 0.453 398 H N 0.857 119.319 119.070 -1.014 0.000 2.353 398 H HA 0.017 4.573 4.556 -0.001 0.000 0.300 398 H C 1.518 176.459 175.328 -0.645 0.000 1.090 398 H CA 1.710 57.025 56.048 -1.222 0.000 1.327 398 H CB 0.035 28.884 29.762 -1.522 0.000 1.383 398 H HN 0.005 nan 8.280 nan 0.000 0.508 399 N N -0.746 117.485 118.700 -0.782 0.000 2.395 399 N HA -0.014 4.726 4.740 -0.001 0.000 0.175 399 N C 1.243 176.483 175.510 -0.451 0.000 1.029 399 N CA 1.135 53.677 53.050 -0.848 0.000 0.897 399 N CB 0.924 38.479 38.487 -1.552 0.000 0.991 399 N HN 0.280 nan 8.380 nan 0.000 0.441 400 V N 0.433 120.166 119.914 -0.301 0.000 3.278 400 V HA 0.153 4.273 4.120 -0.001 0.000 0.215 400 V C 2.061 178.127 176.094 -0.047 0.000 1.287 400 V CA -0.030 62.224 62.300 -0.076 0.000 1.302 400 V CB 0.088 31.934 31.823 0.040 0.000 1.228 400 V HN -0.062 nan 8.190 nan 0.000 0.523 401 I N 1.167 121.723 120.570 -0.023 0.000 2.113 401 I HA -0.286 3.883 4.170 -0.001 0.000 0.238 401 I C 2.891 179.019 176.117 0.018 0.000 1.070 401 I CA 2.168 63.484 61.300 0.026 0.000 1.332 401 I CB -0.606 37.448 38.000 0.090 0.000 1.044 401 I HN 0.622 nan 8.210 nan 0.000 0.402 402 C N 1.716 121.017 119.300 0.002 0.000 2.440 402 C HA -0.018 4.441 4.460 -0.001 0.000 0.278 402 C C 0.643 175.661 174.990 0.047 0.000 1.295 402 C CA 1.263 60.322 59.018 0.069 0.000 1.738 402 C CB -1.973 25.850 27.740 0.138 0.000 1.987 402 C HN 0.281 nan 8.230 nan 0.000 0.492 403 P HA -0.055 nan 4.420 nan 0.000 0.217 403 P C 1.806 179.126 177.300 0.033 0.000 1.151 403 P CA 0.768 63.840 63.100 -0.047 0.000 0.828 403 P CB -0.167 31.416 31.700 -0.196 0.000 0.788 404 L N -1.819 119.408 121.223 0.006 0.000 2.141 404 L HA -0.105 4.235 4.340 -0.001 0.000 0.209 404 L C 2.020 178.939 176.870 0.080 0.000 1.094 404 L CA 1.446 56.306 54.840 0.032 0.000 0.763 404 L CB -0.449 41.602 42.059 -0.013 0.000 0.908 404 L HN -0.098 nan 8.230 nan 0.000 0.437 405 M N -1.167 118.473 119.600 0.067 0.000 2.229 405 M HA -0.194 4.286 4.480 -0.001 0.000 0.264 405 M C 2.190 178.566 176.300 0.126 0.000 1.063 405 M CA 1.495 56.834 55.300 0.065 0.000 1.114 405 M CB -1.442 31.209 32.600 0.084 0.000 1.387 405 M HN 0.391 nan 8.290 nan 0.000 0.420 406 H N -0.109 119.005 119.070 0.073 0.000 2.326 406 H HA -0.169 4.386 4.556 -0.001 0.000 0.301 406 H C 1.826 177.209 175.328 0.091 0.000 1.081 406 H CA 2.059 58.157 56.048 0.083 0.000 1.334 406 H CB -0.373 29.433 29.762 0.074 0.000 1.385 406 H HN 0.233 nan 8.280 nan 0.000 0.504 407 F N 0.117 120.044 119.950 -0.038 0.000 2.069 407 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 407 F C 2.566 178.302 175.800 -0.107 0.000 1.113 407 F CA 1.650 59.583 58.000 -0.112 0.000 1.214 407 F CB -1.015 37.918 39.000 -0.110 0.000 0.978 407 F HN 0.131 nan 8.300 nan 0.000 0.474 408 V N 1.128 120.971 119.914 -0.118 0.000 2.392 408 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 408 V C 2.186 178.157 176.094 -0.204 0.000 1.059 408 V CA 2.614 64.743 62.300 -0.284 0.000 1.051 408 V CB -0.661 30.927 31.823 -0.392 0.000 0.658 408 V HN 0.465 nan 8.190 nan 0.000 0.455 409 N N -0.287 118.365 118.700 -0.079 0.000 2.270 409 N HA -0.081 4.658 4.740 -0.001 0.000 0.181 409 N C 1.785 177.284 175.510 -0.018 0.000 1.016 409 N CA 0.953 54.041 53.050 0.063 0.000 0.870 409 N CB -0.149 38.404 38.487 0.110 0.000 0.979 409 N HN 0.445 nan 8.380 nan 0.000 0.431 410 K N 0.286 120.597 120.400 -0.148 0.000 2.076 410 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 410 K C 1.887 178.479 176.600 -0.013 0.000 1.051 410 K CA 0.538 56.762 56.287 -0.106 0.000 0.949 410 K CB -0.661 31.707 32.500 -0.220 0.000 0.726 410 K HN 0.259 nan 8.250 nan 0.000 0.443 411 Y N 2.314 122.388 120.300 -0.377 0.000 2.163 411 Y HA -0.206 4.344 4.550 -0.001 0.000 0.288 411 Y C 2.213 178.116 175.900 0.005 0.000 1.136 411 Y CA 1.897 59.778 58.100 -0.365 0.000 1.147 411 Y CB -0.408 37.516 38.460 -0.893 0.000 0.987 411 Y HN 0.006 nan 8.280 nan 0.000 0.509 412 T N 0.626 115.248 114.554 0.114 0.000 2.869 412 T HA -0.250 4.100 4.350 -0.001 0.000 0.270 412 T C 1.811 176.529 174.700 0.030 0.000 1.082 412 T CA 1.726 63.912 62.100 0.143 0.000 1.123 412 T CB -0.290 68.739 68.868 0.269 0.000 0.856 412 T HN 0.326 nan 8.240 nan 0.000 0.499 413 K N -0.192 120.194 120.400 -0.023 0.000 2.211 413 K HA -0.016 4.303 4.320 -0.001 0.000 0.203 413 K C 0.975 177.315 176.600 -0.433 0.000 1.050 413 K CA 1.165 57.314 56.287 -0.230 0.000 0.945 413 K CB -0.030 32.280 32.500 -0.315 0.000 0.732 413 K HN 0.381 nan 8.250 nan 0.000 0.451 414 F N -0.445 119.438 119.950 -0.111 0.000 2.746 414 F HA 0.296 4.823 4.527 -0.001 0.000 0.313 414 F C 1.296 176.969 175.800 -0.213 0.000 1.095 414 F CA -0.387 57.508 58.000 -0.176 0.000 1.224 414 F CB 0.337 39.167 39.000 -0.283 0.000 1.060 414 F HN -0.051 nan 8.300 nan 0.000 0.584 415 G N 0.051 108.783 108.800 -0.114 0.000 2.653 415 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.265 415 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.265 415 G C 0.379 175.325 174.900 0.077 0.000 1.237 415 G CA -0.332 44.734 45.100 -0.055 0.000 0.946 415 G HN 0.281 nan 8.290 nan 0.000 0.522 416 N N -0.438 118.353 118.700 0.151 0.000 2.234 416 N HA 0.277 5.017 4.740 -0.001 0.000 0.227 416 N C 0.266 175.847 175.510 0.119 0.000 1.151 416 N CA 0.441 53.555 53.050 0.107 0.000 0.865 416 N CB 0.357 38.900 38.487 0.093 0.000 1.066 416 N HN 0.869 nan 8.380 nan 0.000 0.515 417 G N 0.477 109.362 108.800 0.141 0.000 2.196 417 G HA2 0.032 3.992 3.960 -0.001 0.000 0.215 417 G HA3 0.032 3.992 3.960 -0.001 0.000 0.215 417 G C -1.336 173.595 174.900 0.053 0.000 1.640 417 G CA -0.722 44.419 45.100 0.069 0.000 0.946 417 G HN 0.024 nan 8.290 nan 0.000 0.710 418 T N 1.566 116.029 114.554 -0.151 0.000 2.861 418 T HA 0.682 5.031 4.350 -0.001 0.000 0.287 418 T C -1.290 173.136 174.700 -0.457 0.000 1.003 418 T CA -0.364 61.646 62.100 -0.150 0.000 0.977 418 T CB 1.371 70.244 68.868 0.009 0.000 0.996 418 T HN 0.427 nan 8.240 nan 0.000 0.448 419 Y N 2.070 122.277 120.300 -0.154 0.000 2.338 419 Y HA 0.649 5.199 4.550 -0.001 0.000 0.333 419 Y C -0.535 175.402 175.900 0.060 0.000 0.968 419 Y CA -1.129 56.826 58.100 -0.243 0.000 1.123 419 Y CB 1.497 39.369 38.460 -0.980 0.000 1.165 419 Y HN 0.433 nan 8.280 nan 0.000 0.452 420 L N 5.825 127.399 121.223 0.585 0.000 2.334 420 L HA 0.660 4.999 4.340 -0.001 0.000 0.276 420 L C -1.231 176.102 176.870 0.771 0.000 1.014 420 L CA -1.104 54.038 54.840 0.502 0.000 0.815 420 L CB 0.905 43.100 42.059 0.227 0.000 1.268 420 L HN 0.536 nan 8.230 nan 0.000 0.428 421 Y N 2.908 123.518 120.300 0.517 0.000 2.605 421 Y HA 0.749 5.298 4.550 -0.001 0.000 0.343 421 Y C -1.832 174.350 175.900 0.469 0.000 1.036 421 Y CA -1.965 56.385 58.100 0.416 0.000 1.065 421 Y CB 1.373 40.016 38.460 0.306 0.000 1.288 421 Y HN 0.522 nan 8.280 nan 0.000 0.481 422 F N 3.791 124.057 119.950 0.528 0.000 2.659 422 F HA 0.452 4.979 4.527 -0.001 0.000 0.342 422 F C -1.942 174.164 175.800 0.509 0.000 1.168 422 F CA -1.759 56.481 58.000 0.400 0.000 1.003 422 F CB 0.781 40.017 39.000 0.393 0.000 1.267 422 F HN 0.563 nan 8.300 nan 0.000 0.463 423 F N 7.866 127.904 119.950 0.147 0.000 2.438 423 F HA 0.295 4.822 4.527 -0.001 0.000 0.360 423 F C 0.294 175.980 175.800 -0.189 0.000 1.118 423 F CA -0.279 57.758 58.000 0.062 0.000 1.164 423 F CB 0.497 39.599 39.000 0.169 0.000 1.131 423 F HN 0.526 nan 8.300 nan 0.000 0.527 424 N N 3.511 121.875 118.700 -0.560 0.000 2.517 424 N HA 0.079 4.819 4.740 -0.001 0.000 0.285 424 N C -1.217 174.060 175.510 -0.389 0.000 1.528 424 N CA -0.480 52.334 53.050 -0.394 0.000 0.892 424 N CB -0.568 37.865 38.487 -0.090 0.000 1.356 424 N HN 0.607 nan 8.380 nan 0.000 0.495 425 H N 0.476 119.006 119.070 -0.901 0.000 2.504 425 H HA 0.425 4.981 4.556 -0.001 0.000 0.322 425 H C -0.565 174.609 175.328 -0.257 0.000 1.055 425 H CA -0.638 55.080 56.048 -0.550 0.000 1.231 425 H CB 1.056 30.430 29.762 -0.647 0.000 1.417 425 H HN 0.100 nan 8.280 nan 0.000 0.472 426 R N 4.258 124.367 120.500 -0.652 0.000 2.216 426 R HA 0.489 4.829 4.340 -0.001 0.000 0.332 426 R C -0.459 175.568 176.300 -0.455 0.000 1.056 426 R CA -0.547 55.342 56.100 -0.352 0.000 0.901 426 R CB 0.226 30.417 30.300 -0.182 0.000 1.039 426 R HN 0.825 nan 8.270 nan 0.000 0.456 427 A N 3.037 125.862 122.820 0.008 0.000 2.587 427 A HA -0.044 4.275 4.320 -0.001 0.000 0.233 427 A C 1.308 178.955 177.584 0.105 0.000 1.049 427 A CA 0.649 52.862 52.037 0.295 0.000 0.754 427 A CB 0.265 19.574 19.000 0.514 0.000 0.977 427 A HN 1.005 nan 8.150 nan 0.000 0.509 428 S N 1.286 117.079 115.700 0.156 0.000 2.453 428 S HA -0.145 4.324 4.470 -0.001 0.000 0.231 428 S C 0.863 175.441 174.600 -0.037 0.000 1.005 428 S CA 1.005 59.236 58.200 0.053 0.000 0.949 428 S CB -0.419 62.836 63.200 0.091 0.000 0.774 428 S HN 0.924 nan 8.310 nan 0.000 0.510 429 N N 0.871 119.503 118.700 -0.112 0.000 2.251 429 N HA 0.244 4.983 4.740 -0.001 0.000 0.217 429 N C -0.174 175.252 175.510 -0.141 0.000 1.124 429 N CA -0.330 52.607 53.050 -0.189 0.000 0.843 429 N CB -0.557 37.697 38.487 -0.388 0.000 1.024 429 N HN 0.380 nan 8.380 nan 0.000 0.501 430 L N 1.180 122.361 121.223 -0.071 0.000 2.453 430 L HA 0.025 4.364 4.340 -0.001 0.000 0.272 430 L C 1.429 178.240 176.870 -0.099 0.000 1.182 430 L CA -0.368 54.434 54.840 -0.062 0.000 0.858 430 L CB 1.072 43.105 42.059 -0.043 0.000 1.120 430 L HN 0.129 nan 8.230 nan 0.000 0.474 431 V N -0.569 119.236 119.914 -0.181 0.000 3.506 431 V HA 0.041 4.161 4.120 -0.001 0.000 0.263 431 V C 0.515 176.524 176.094 -0.142 0.000 1.203 431 V CA -0.449 61.716 62.300 -0.225 0.000 1.133 431 V CB -0.861 30.696 31.823 -0.443 0.000 0.802 431 V HN 0.586 nan 8.190 nan 0.000 0.459 432 W N 2.083 123.348 121.300 -0.058 0.000 2.184 432 W HA 0.493 5.152 4.660 -0.001 0.000 0.338 432 W C -1.629 174.768 176.519 -0.203 0.000 1.257 432 W CA -1.987 55.293 57.345 -0.109 0.000 1.243 432 W CB -0.196 29.109 29.460 -0.257 0.000 1.122 432 W HN 0.007 nan 8.180 nan 0.000 0.585 433 P HA -0.069 nan 4.420 nan 0.000 0.271 433 P C 0.372 177.552 177.300 -0.200 0.000 1.233 433 P CA 0.308 63.333 63.100 -0.125 0.000 0.789 433 P CB 0.953 32.574 31.700 -0.132 0.000 0.951 434 E N 1.015 121.174 120.200 -0.067 0.000 2.110 434 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 434 E C 1.924 178.526 176.600 0.002 0.000 0.988 434 E CA 1.391 57.779 56.400 -0.019 0.000 0.804 434 E CB -0.639 29.094 29.700 0.055 0.000 0.745 434 E HN 0.718 nan 8.360 nan 0.000 0.458 435 W N 0.394 121.732 121.300 0.064 0.000 2.424 435 W HA -0.087 4.573 4.660 -0.001 0.000 0.264 435 W C 1.439 178.016 176.519 0.097 0.000 1.229 435 W CA 0.480 57.873 57.345 0.080 0.000 1.208 435 W CB -0.832 28.680 29.460 0.087 0.000 1.127 435 W HN -0.008 nan 8.180 nan 0.000 0.588 436 M N 1.212 120.463 119.600 -0.581 0.000 2.492 436 M HA 0.134 4.613 4.480 -0.001 0.000 0.262 436 M C 1.791 178.001 176.300 -0.151 0.000 1.090 436 M CA 1.504 56.477 55.300 -0.544 0.000 1.110 436 M CB -0.626 31.457 32.600 -0.861 0.000 1.407 436 M HN 0.157 nan 8.290 nan 0.000 0.470 437 G N 0.556 109.309 108.800 -0.078 0.000 2.574 437 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.286 437 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.286 437 G C -0.156 174.739 174.900 -0.009 0.000 1.212 437 G CA -0.215 44.882 45.100 -0.006 0.000 0.979 437 G HN 0.200 nan 8.290 nan 0.000 0.557 438 V N 2.184 122.123 119.914 0.042 0.000 2.276 438 V HA 0.345 4.465 4.120 -0.001 0.000 0.249 438 V C 1.165 177.362 176.094 0.172 0.000 1.160 438 V CA 0.019 62.380 62.300 0.102 0.000 1.042 438 V CB -0.279 31.587 31.823 0.073 0.000 1.224 438 V HN 0.514 nan 8.190 nan 0.000 0.496 439 I N 2.888 123.552 120.570 0.155 0.000 2.754 439 I HA 0.069 4.239 4.170 -0.001 0.000 0.285 439 I C 0.976 177.339 176.117 0.410 0.000 1.166 439 I CA -0.348 61.084 61.300 0.221 0.000 1.417 439 I CB 0.126 38.149 38.000 0.039 0.000 1.382 439 I HN 0.559 nan 8.210 nan 0.000 0.588 440 H N 4.418 123.634 119.070 0.244 0.000 3.125 440 H HA 0.145 4.701 4.556 -0.001 0.000 0.310 440 H C 1.021 176.385 175.328 0.060 0.000 0.980 440 H CA 1.007 57.143 56.048 0.146 0.000 1.422 440 H CB 0.159 29.970 29.762 0.081 0.000 1.432 440 H HN 0.762 nan 8.280 nan 0.000 0.577 441 G N 3.686 112.315 108.800 -0.284 0.000 2.199 441 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.254 441 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.254 441 G C 0.582 175.434 174.900 -0.081 0.000 0.982 441 G CA 0.448 45.353 45.100 -0.326 0.000 0.632 441 G HN 0.647 nan 8.290 nan 0.000 0.529 442 Y N 1.416 121.830 120.300 0.189 0.000 2.470 442 Y HA 0.255 4.805 4.550 -0.001 0.000 0.302 442 Y C 2.240 178.277 175.900 0.227 0.000 1.194 442 Y CA 0.935 59.217 58.100 0.303 0.000 1.271 442 Y CB 0.423 39.102 38.460 0.365 0.000 1.092 442 Y HN 0.517 nan 8.280 nan 0.000 0.513 443 E N -0.321 119.882 120.200 0.006 0.000 2.431 443 E HA -0.023 4.326 4.350 -0.001 0.000 0.200 443 E C 1.618 178.159 176.600 -0.098 0.000 0.995 443 E CA 0.467 56.569 56.400 -0.497 0.000 0.915 443 E CB -0.379 28.739 29.700 -0.969 0.000 0.930 443 E HN 0.515 nan 8.360 nan 0.000 0.496 444 I N 2.782 123.393 120.570 0.070 0.000 2.127 444 I HA -0.318 3.852 4.170 -0.001 0.000 0.241 444 I C 2.611 178.808 176.117 0.135 0.000 1.075 444 I CA 2.207 63.607 61.300 0.166 0.000 1.334 444 I CB -0.401 37.750 38.000 0.251 0.000 1.040 444 I HN 0.221 nan 8.210 nan 0.000 0.405 445 E N 0.729 120.962 120.200 0.056 0.000 2.209 445 E HA -0.243 4.106 4.350 -0.001 0.000 0.196 445 E C 1.999 178.455 176.600 -0.240 0.000 0.993 445 E CA 1.502 57.844 56.400 -0.096 0.000 0.819 445 E CB -0.505 29.123 29.700 -0.119 0.000 0.745 445 E HN 0.445 nan 8.360 nan 0.000 0.477 446 F N 1.020 120.880 119.950 -0.150 0.000 2.335 446 F HA -0.016 4.511 4.527 -0.001 0.000 0.296 446 F C 2.340 177.969 175.800 -0.285 0.000 1.091 446 F CA 0.486 58.355 58.000 -0.219 0.000 1.399 446 F CB -0.118 38.781 39.000 -0.169 0.000 1.067 446 F HN -0.137 nan 8.300 nan 0.000 0.520 447 V N -1.025 118.805 119.914 -0.141 0.000 2.427 447 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 447 V C 1.637 177.541 176.094 -0.318 0.000 1.051 447 V CA 1.598 63.676 62.300 -0.370 0.000 1.048 447 V CB -0.645 30.962 31.823 -0.360 0.000 0.666 447 V HN 0.209 nan 8.190 nan 0.000 0.456 448 F N 0.401 120.235 119.950 -0.194 0.000 2.765 448 F HA 0.410 4.937 4.527 -0.001 0.000 0.302 448 F C 1.809 177.522 175.800 -0.146 0.000 1.111 448 F CA 0.649 58.559 58.000 -0.150 0.000 1.359 448 F CB -0.173 38.724 39.000 -0.172 0.000 1.097 448 F HN 0.258 nan 8.300 nan 0.000 0.577 449 G N 0.252 108.981 108.800 -0.120 0.000 2.160 449 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.251 449 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.251 449 G C 1.113 175.710 174.900 -0.505 0.000 1.008 449 G CA 0.350 45.298 45.100 -0.253 0.000 0.724 449 G HN 0.250 nan 8.290 nan 0.000 0.514 450 L N -0.237 120.669 121.223 -0.528 0.000 2.127 450 L HA -0.060 4.279 4.340 -0.001 0.000 0.211 450 L C 0.319 176.770 176.870 -0.697 0.000 1.089 450 L CA 2.519 56.988 54.840 -0.620 0.000 0.757 450 L CB -1.943 39.879 42.059 -0.395 0.000 0.899 450 L HN 0.216 nan 8.230 nan 0.000 0.434 451 P HA -0.102 nan 4.420 nan 0.000 0.225 451 P C 1.882 178.937 177.300 -0.409 0.000 1.148 451 P CA 0.833 63.355 63.100 -0.962 0.000 0.779 451 P CB 0.064 31.128 31.700 -1.061 0.000 0.780 452 L N -1.725 119.268 121.223 -0.383 0.000 2.551 452 L HA 0.027 4.366 4.340 -0.001 0.000 0.228 452 L C 1.039 177.795 176.870 -0.191 0.000 1.153 452 L CA 0.295 54.996 54.840 -0.231 0.000 0.851 452 L CB -0.375 41.575 42.059 -0.183 0.000 0.959 452 L HN -0.112 nan 8.230 nan 0.000 0.451 453 V N 1.547 121.310 119.914 -0.251 0.000 2.318 453 V HA 0.138 4.257 4.120 -0.001 0.000 0.271 453 V C 1.252 177.309 176.094 -0.061 0.000 1.030 453 V CA -0.640 61.569 62.300 -0.152 0.000 0.844 453 V CB 0.914 32.615 31.823 -0.203 0.000 1.015 453 V HN 0.178 nan 8.190 nan 0.000 0.460 454 K N 4.734 125.113 120.400 -0.034 0.000 2.032 454 K HA -0.212 4.108 4.320 -0.001 0.000 0.218 454 K C 1.686 178.279 176.600 -0.011 0.000 1.054 454 K CA 2.184 58.464 56.287 -0.012 0.000 0.941 454 K CB -0.499 31.993 32.500 -0.013 0.000 0.720 454 K HN 0.921 nan 8.250 nan 0.000 0.449 455 E N 1.334 121.521 120.200 -0.021 0.000 2.448 455 E HA -0.169 4.180 4.350 -0.001 0.000 0.203 455 E C 1.920 178.495 176.600 -0.041 0.000 1.046 455 E CA 0.807 57.189 56.400 -0.030 0.000 0.871 455 E CB -0.583 29.100 29.700 -0.028 0.000 0.790 455 E HN 0.408 nan 8.360 nan 0.000 0.545 456 L N 0.153 121.362 121.223 -0.024 0.000 2.509 456 L HA 0.047 4.387 4.340 -0.001 0.000 0.222 456 L C -0.113 176.669 176.870 -0.146 0.000 1.123 456 L CA 0.083 54.894 54.840 -0.048 0.000 0.856 456 L CB -0.342 41.756 42.059 0.064 0.000 0.985 456 L HN -0.004 nan 8.230 nan 0.000 0.456 457 N N -1.337 117.314 118.700 -0.082 0.000 2.862 457 N HA -0.185 4.554 4.740 -0.001 0.000 0.246 457 N C -0.800 174.604 175.510 -0.177 0.000 1.111 457 N CA 0.654 53.630 53.050 -0.124 0.000 0.688 457 N CB -1.847 36.544 38.487 -0.160 0.000 1.018 457 N HN 0.250 nan 8.380 nan 0.000 0.556 458 Y N 0.487 120.753 120.300 -0.057 0.000 2.374 458 Y HA 0.420 4.970 4.550 -0.001 0.000 0.322 458 Y C 1.860 177.757 175.900 -0.005 0.000 1.275 458 Y CA -0.107 57.976 58.100 -0.029 0.000 1.307 458 Y CB 0.652 39.066 38.460 -0.076 0.000 1.282 458 Y HN 0.109 nan 8.280 nan 0.000 0.509 459 T N -1.926 112.751 114.554 0.206 0.000 2.788 459 T HA 0.410 4.759 4.350 -0.001 0.000 0.287 459 T C 1.165 175.926 174.700 0.101 0.000 1.007 459 T CA -0.236 61.939 62.100 0.125 0.000 1.005 459 T CB 1.113 70.057 68.868 0.127 0.000 1.012 459 T HN 0.755 nan 8.240 nan 0.000 0.530 460 A N 0.786 123.642 122.820 0.059 0.000 1.969 460 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 460 A C 2.295 179.896 177.584 0.028 0.000 1.169 460 A CA 1.151 53.208 52.037 0.034 0.000 0.635 460 A CB -0.712 18.300 19.000 0.020 0.000 0.810 460 A HN 0.933 nan 8.150 nan 0.000 0.445 461 E N 0.599 120.820 120.200 0.034 0.000 2.274 461 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 461 E C 1.308 177.916 176.600 0.014 0.000 0.996 461 E CA 1.157 57.562 56.400 0.009 0.000 0.840 461 E CB -0.466 29.230 29.700 -0.006 0.000 0.772 461 E HN 0.792 nan 8.360 nan 0.000 0.491 462 E N 0.988 121.243 120.200 0.091 0.000 2.158 462 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 462 E C 2.022 178.685 176.600 0.106 0.000 0.982 462 E CA 0.480 57.008 56.400 0.213 0.000 0.823 462 E CB 0.070 30.006 29.700 0.394 0.000 0.766 462 E HN 0.347 nan 8.360 nan 0.000 0.468 463 E N 0.894 121.101 120.200 0.012 0.000 2.072 463 E HA -0.148 4.201 4.350 -0.001 0.000 0.190 463 E C 2.011 178.586 176.600 -0.042 0.000 0.982 463 E CA 0.847 57.207 56.400 -0.066 0.000 0.803 463 E CB 0.018 29.686 29.700 -0.053 0.000 0.755 463 E HN 0.183 nan 8.360 nan 0.000 0.453 464 A N 1.110 123.919 122.820 -0.019 0.000 1.930 464 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 464 A C 2.093 179.659 177.584 -0.031 0.000 1.175 464 A CA 1.017 53.034 52.037 -0.033 0.000 0.627 464 A CB -0.500 18.481 19.000 -0.030 0.000 0.815 464 A HN 0.369 nan 8.150 nan 0.000 0.443 465 L N -0.409 120.818 121.223 0.006 0.000 2.093 465 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 465 L C 2.501 179.414 176.870 0.072 0.000 1.085 465 L CA 2.431 57.281 54.840 0.016 0.000 0.755 465 L CB -0.733 41.322 42.059 -0.008 0.000 0.904 465 L HN 0.313 nan 8.230 nan 0.000 0.435 466 S N -0.791 114.988 115.700 0.131 0.000 2.383 466 S HA -0.154 4.316 4.470 -0.001 0.000 0.227 466 S C 2.173 176.734 174.600 -0.064 0.000 1.026 466 S CA 1.115 59.348 58.200 0.055 0.000 0.981 466 S CB -0.165 62.965 63.200 -0.116 0.000 0.818 466 S HN 0.527 nan 8.310 nan 0.000 0.472 467 R N 0.298 120.753 120.500 -0.074 0.000 2.075 467 R HA 0.083 4.423 4.340 -0.001 0.000 0.232 467 R C 2.716 178.950 176.300 -0.110 0.000 1.126 467 R CA 1.289 57.337 56.100 -0.087 0.000 0.963 467 R CB -0.214 30.033 30.300 -0.089 0.000 0.858 467 R HN 0.355 nan 8.270 nan 0.000 0.435 468 R N 0.397 120.804 120.500 -0.155 0.000 2.073 468 R HA -0.096 4.244 4.340 -0.001 0.000 0.234 468 R C 2.280 178.341 176.300 -0.398 0.000 1.134 468 R CA 1.466 57.374 56.100 -0.320 0.000 0.952 468 R CB -0.346 29.773 30.300 -0.300 0.000 0.850 468 R HN 0.218 nan 8.270 nan 0.000 0.433 469 I N 0.390 120.851 120.570 -0.182 0.000 2.252 469 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 469 I C 2.440 178.475 176.117 -0.137 0.000 1.102 469 I CA 1.307 62.528 61.300 -0.132 0.000 1.385 469 I CB -0.153 37.642 38.000 -0.341 0.000 1.064 469 I HN 0.211 nan 8.210 nan 0.000 0.414 470 M N -0.531 118.981 119.600 -0.146 0.000 2.159 470 M HA -0.265 4.215 4.480 -0.001 0.000 0.263 470 M C 2.383 178.728 176.300 0.074 0.000 1.063 470 M CA 1.772 57.023 55.300 -0.081 0.000 1.110 470 M CB -0.608 31.946 32.600 -0.076 0.000 1.374 470 M HN 0.266 nan 8.290 nan 0.000 0.411 471 H N -0.655 118.393 119.070 -0.037 0.000 2.428 471 H HA -0.112 4.443 4.556 -0.001 0.000 0.296 471 H C 1.451 176.878 175.328 0.165 0.000 1.062 471 H CA 1.693 57.744 56.048 0.005 0.000 1.350 471 H CB 0.135 29.846 29.762 -0.086 0.000 1.403 471 H HN 0.276 nan 8.280 nan 0.000 0.533 472 Y N -0.901 119.540 120.300 0.235 0.000 2.133 472 Y HA -0.201 4.349 4.550 -0.001 0.000 0.287 472 Y C 2.496 178.593 175.900 0.328 0.000 1.134 472 Y CA 0.983 59.271 58.100 0.314 0.000 1.133 472 Y CB -1.121 37.730 38.460 0.652 0.000 0.987 472 Y HN 0.327 nan 8.280 nan 0.000 0.502 473 W N -0.297 121.107 121.300 0.173 0.000 2.335 473 W HA -0.264 4.396 4.660 -0.001 0.000 0.311 473 W C 2.554 179.071 176.519 -0.004 0.000 1.213 473 W CA 1.153 58.527 57.345 0.049 0.000 1.274 473 W CB -0.456 28.974 29.460 -0.049 0.000 1.148 473 W HN 0.073 nan 8.180 nan 0.000 0.498 474 A N -0.119 122.811 122.820 0.184 0.000 1.898 474 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 474 A C 1.807 179.371 177.584 -0.033 0.000 1.181 474 A CA 2.118 54.173 52.037 0.030 0.000 0.620 474 A CB -1.168 17.838 19.000 0.010 0.000 0.819 474 A HN 0.191 nan 8.150 nan 0.000 0.442 475 T N -0.760 113.737 114.554 -0.094 0.000 2.821 475 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 475 T C 1.572 176.228 174.700 -0.073 0.000 1.046 475 T CA 1.460 63.470 62.100 -0.150 0.000 1.139 475 T CB -0.353 68.355 68.868 -0.266 0.000 0.871 475 T HN 0.507 nan 8.240 nan 0.000 0.454 476 F N 2.280 122.127 119.950 -0.171 0.000 2.186 476 F HA 0.126 4.652 4.527 -0.001 0.000 0.299 476 F C 2.376 178.083 175.800 -0.155 0.000 1.090 476 F CA 0.769 58.633 58.000 -0.227 0.000 1.307 476 F CB -0.585 38.217 39.000 -0.330 0.000 1.019 476 F HN 0.129 nan 8.300 nan 0.000 0.489 477 A N 0.417 123.127 122.820 -0.183 0.000 1.933 477 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 477 A C 2.220 179.661 177.584 -0.238 0.000 1.175 477 A CA 1.896 53.786 52.037 -0.244 0.000 0.628 477 A CB -0.601 18.337 19.000 -0.102 0.000 0.814 477 A HN 0.490 nan 8.150 nan 0.000 0.444 478 K N -1.135 119.161 120.400 -0.173 0.000 2.076 478 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 478 K C 1.966 178.477 176.600 -0.149 0.000 1.051 478 K CA 1.699 57.910 56.287 -0.128 0.000 0.949 478 K CB -0.092 32.358 32.500 -0.082 0.000 0.726 478 K HN 0.674 nan 8.250 nan 0.000 0.443 479 T N -4.507 109.936 114.554 -0.185 0.000 2.959 479 T HA 0.244 4.593 4.350 -0.001 0.000 0.254 479 T C 1.280 175.857 174.700 -0.204 0.000 1.003 479 T CA 0.378 62.384 62.100 -0.157 0.000 0.950 479 T CB 1.026 69.834 68.868 -0.100 0.000 1.090 479 T HN 0.276 nan 8.240 nan 0.000 0.503 480 G N 1.485 110.047 108.800 -0.396 0.000 2.141 480 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.231 480 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.231 480 G C -0.211 174.662 174.900 -0.045 0.000 0.984 480 G CA -0.003 44.840 45.100 -0.428 0.000 0.660 480 G HN 0.840 nan 8.290 nan 0.000 0.525 481 N N -0.249 118.400 118.700 -0.084 0.000 2.478 481 N HA 0.416 5.156 4.740 -0.001 0.000 0.291 481 N C -1.637 173.722 175.510 -0.253 0.000 1.090 481 N CA -1.427 51.510 53.050 -0.189 0.000 0.911 481 N CB 2.413 40.871 38.487 -0.049 0.000 1.546 481 N HN -0.065 nan 8.380 nan 0.000 0.500 482 P HA -0.054 nan 4.420 nan 0.000 0.226 482 P C -0.455 176.858 177.300 0.022 0.000 1.153 482 P CA 0.647 63.596 63.100 -0.251 0.000 0.777 482 P CB 0.331 31.645 31.700 -0.643 0.000 0.794 483 N N 1.369 120.045 118.700 -0.040 0.000 2.518 483 N HA 0.101 4.841 4.740 -0.001 0.000 0.283 483 N C 0.300 175.859 175.510 0.082 0.000 1.119 483 N CA -0.194 52.925 53.050 0.115 0.000 0.983 483 N CB 0.961 39.515 38.487 0.112 0.000 1.139 483 N HN 0.035 nan 8.380 nan 0.000 0.465 484 E N 2.022 122.307 120.200 0.142 0.000 2.324 484 E HA 0.080 4.430 4.350 -0.001 0.000 0.271 484 E C -1.312 175.318 176.600 0.050 0.000 1.028 484 E CA -1.459 55.012 56.400 0.118 0.000 0.890 484 E CB 0.847 30.664 29.700 0.194 0.000 1.004 484 E HN 0.326 nan 8.360 nan 0.000 0.431 485 P HA -0.201 nan 4.420 nan 0.000 0.219 485 P C 0.539 177.646 177.300 -0.320 0.000 1.159 485 P CA 1.675 64.657 63.100 -0.197 0.000 0.944 485 P CB 0.141 31.722 31.700 -0.199 0.000 0.792 486 H N -2.318 116.791 119.070 0.064 0.000 2.486 486 H HA 0.295 4.850 4.556 -0.001 0.000 0.284 486 H C 0.786 176.152 175.328 0.063 0.000 1.103 486 H CA -0.242 55.841 56.048 0.058 0.000 1.089 486 H CB 0.000 29.790 29.762 0.045 0.000 1.603 486 H HN 0.122 nan 8.280 nan 0.000 0.557 487 S N 0.627 116.413 115.700 0.142 0.000 2.572 487 S HA -0.057 4.412 4.470 -0.001 0.000 0.262 487 S C 1.337 176.003 174.600 0.110 0.000 1.375 487 S CA 0.137 58.412 58.200 0.125 0.000 0.996 487 S CB 0.939 64.218 63.200 0.132 0.000 0.892 487 S HN 0.349 nan 8.310 nan 0.000 0.562 488 Q N 0.135 119.990 119.800 0.091 0.000 2.280 488 Q HA 0.279 4.619 4.340 -0.001 0.000 0.228 488 Q C 0.052 176.098 176.000 0.076 0.000 0.857 488 Q CA 0.086 55.935 55.803 0.076 0.000 0.939 488 Q CB 0.087 28.860 28.738 0.058 0.000 1.114 488 Q HN 0.637 nan 8.270 nan 0.000 0.514 489 E N 1.054 121.307 120.200 0.088 0.000 2.416 489 E HA 0.079 4.428 4.350 -0.001 0.000 0.254 489 E C -0.141 176.529 176.600 0.117 0.000 1.241 489 E CA 0.015 56.473 56.400 0.096 0.000 0.969 489 E CB 0.462 30.229 29.700 0.112 0.000 0.999 489 E HN -0.136 nan 8.360 nan 0.000 0.481 490 S N 0.659 116.433 115.700 0.122 0.000 2.549 490 S HA 0.052 4.521 4.470 -0.001 0.000 0.283 490 S C -0.129 174.580 174.600 0.181 0.000 1.320 490 S CA -0.397 57.878 58.200 0.125 0.000 1.058 490 S CB 0.260 63.520 63.200 0.099 0.000 0.882 490 S HN 0.124 nan 8.310 nan 0.000 0.498 491 K N 3.028 123.527 120.400 0.165 0.000 2.234 491 K HA 0.122 4.441 4.320 -0.001 0.000 0.282 491 K C -0.416 176.345 176.600 0.268 0.000 1.039 491 K CA -0.374 56.040 56.287 0.212 0.000 0.928 491 K CB 0.622 33.223 32.500 0.169 0.000 1.039 491 K HN 0.665 nan 8.250 nan 0.000 0.470 492 W N 7.545 128.896 121.300 0.086 0.000 2.507 492 W HA 0.149 4.808 4.660 -0.001 0.000 0.334 492 W C -2.196 174.433 176.519 0.182 0.000 1.165 492 W CA -2.588 54.802 57.345 0.074 0.000 1.460 492 W CB -0.263 29.151 29.460 -0.077 0.000 1.404 492 W HN 0.399 nan 8.180 nan 0.000 0.435 493 P HA -0.031 nan 4.420 nan 0.000 0.270 493 P C -0.582 176.931 177.300 0.356 0.000 1.223 493 P CA -0.305 63.004 63.100 0.349 0.000 0.785 493 P CB 1.442 33.271 31.700 0.214 0.000 0.923 494 L N 2.714 124.015 121.223 0.130 0.000 2.349 494 L HA 0.316 4.655 4.340 -0.001 0.000 0.275 494 L C -0.134 176.736 176.870 -0.000 0.000 1.115 494 L CA -0.520 54.229 54.840 -0.152 0.000 0.820 494 L CB -0.333 41.622 42.059 -0.174 0.000 1.135 494 L HN 0.200 nan 8.230 nan 0.000 0.445 495 F N 4.589 124.451 119.950 -0.147 0.000 2.445 495 F HA 0.471 4.998 4.527 -0.001 0.000 0.359 495 F C 0.286 176.062 175.800 -0.041 0.000 1.101 495 F CA -0.124 57.870 58.000 -0.011 0.000 1.177 495 F CB 0.489 39.512 39.000 0.038 0.000 1.110 495 F HN 0.652 nan 8.300 nan 0.000 0.522 496 T N 1.166 115.489 114.554 -0.385 0.000 2.924 496 T HA 0.274 4.623 4.350 -0.001 0.000 0.291 496 T C 0.918 175.386 174.700 -0.387 0.000 1.045 496 T CA -0.424 61.536 62.100 -0.234 0.000 1.015 496 T CB 1.506 70.285 68.868 -0.148 0.000 1.103 496 T HN 0.514 nan 8.240 nan 0.000 0.496 497 T N 0.651 115.115 114.554 -0.150 0.000 2.759 497 T HA -0.107 4.243 4.350 -0.001 0.000 0.269 497 T C 1.713 176.327 174.700 -0.144 0.000 1.042 497 T CA 1.623 63.661 62.100 -0.103 0.000 1.140 497 T CB -0.241 68.598 68.868 -0.047 0.000 0.864 497 T HN 0.705 nan 8.240 nan 0.000 0.455 498 K N 0.501 120.816 120.400 -0.142 0.000 1.995 498 K HA -0.075 4.245 4.320 -0.001 0.000 0.207 498 K C 2.285 178.805 176.600 -0.133 0.000 1.041 498 K CA 1.057 57.278 56.287 -0.111 0.000 0.942 498 K CB 0.119 32.571 32.500 -0.082 0.000 0.731 498 K HN 0.127 nan 8.250 nan 0.000 0.439 499 E N 0.654 120.753 120.200 -0.167 0.000 2.170 499 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 499 E C 0.118 176.593 176.600 -0.209 0.000 0.981 499 E CA 0.495 56.808 56.400 -0.145 0.000 0.830 499 E CB -0.006 29.631 29.700 -0.106 0.000 0.775 499 E HN 0.343 nan 8.360 nan 0.000 0.470 500 Q N 0.581 120.086 119.800 -0.491 0.000 2.475 500 Q HA -0.194 4.145 4.340 -0.001 0.000 0.280 500 Q C -0.619 175.286 176.000 -0.159 0.000 1.234 500 Q CA 0.644 55.975 55.803 -0.787 0.000 0.873 500 Q CB -1.678 26.876 28.738 -0.306 0.000 1.256 500 Q HN 0.213 nan 8.270 nan 0.000 0.475 501 K N 0.562 120.918 120.400 -0.073 0.000 2.258 501 K HA 0.501 4.821 4.320 -0.001 0.000 0.264 501 K C 0.028 176.919 176.600 0.485 0.000 1.007 501 K CA 0.303 56.692 56.287 0.169 0.000 0.941 501 K CB 0.389 32.938 32.500 0.082 0.000 0.966 501 K HN 0.228 nan 8.250 nan 0.000 0.480 502 F N 0.032 120.145 119.950 0.271 0.000 2.711 502 F HA 0.593 5.120 4.527 -0.001 0.000 0.313 502 F C -1.175 174.731 175.800 0.176 0.000 1.141 502 F CA -1.489 56.704 58.000 0.322 0.000 0.941 502 F CB 0.800 40.003 39.000 0.339 0.000 1.349 502 F HN 0.421 nan 8.300 nan 0.000 0.464 503 I N -0.653 120.015 120.570 0.163 0.000 2.846 503 I HA 0.651 4.821 4.170 -0.001 0.000 0.307 503 I C -1.165 175.059 176.117 0.180 0.000 1.053 503 I CA -0.839 60.392 61.300 -0.116 0.000 1.050 503 I CB 2.086 39.844 38.000 -0.403 0.000 1.239 503 I HN 0.479 nan 8.210 nan 0.000 0.439 504 D N 2.913 123.388 120.400 0.126 0.000 2.294 504 D HA 0.501 5.141 4.640 -0.001 0.000 0.250 504 D C -0.999 175.382 176.300 0.135 0.000 1.058 504 D CA -0.003 54.181 54.000 0.306 0.000 0.950 504 D CB 2.377 43.351 40.800 0.289 0.000 1.158 504 D HN 0.269 nan 8.370 nan 0.000 0.453 505 L N 2.650 123.962 121.223 0.150 0.000 2.388 505 L HA 0.266 4.606 4.340 -0.001 0.000 0.267 505 L C -0.684 176.117 176.870 -0.115 0.000 0.995 505 L CA -0.300 54.578 54.840 0.064 0.000 0.864 505 L CB 0.304 42.488 42.059 0.208 0.000 1.216 505 L HN 0.505 nan 8.230 nan 0.000 0.430 506 N N -0.265 118.366 118.700 -0.115 0.000 3.588 506 N HA 0.354 5.094 4.740 -0.001 0.000 0.340 506 N C 0.203 175.599 175.510 -0.191 0.000 1.609 506 N CA -0.036 52.886 53.050 -0.212 0.000 0.811 506 N CB 0.412 38.829 38.487 -0.116 0.000 2.184 506 N HN 0.057 nan 8.380 nan 0.000 0.577 507 T N -3.555 110.867 114.554 -0.220 0.000 3.144 507 T HA 0.300 4.650 4.350 -0.001 0.000 0.249 507 T C -0.183 174.478 174.700 -0.065 0.000 1.089 507 T CA 0.030 62.031 62.100 -0.165 0.000 0.989 507 T CB -0.499 68.241 68.868 -0.213 0.000 0.992 507 T HN 0.457 nan 8.240 nan 0.000 0.540 508 E N 1.933 122.110 120.200 -0.038 0.000 2.250 508 E HA 0.402 4.752 4.350 -0.001 0.000 0.265 508 E C -2.663 173.934 176.600 -0.005 0.000 1.033 508 E CA -2.677 53.719 56.400 -0.007 0.000 0.888 508 E CB 0.549 30.257 29.700 0.014 0.000 1.151 508 E HN 0.122 nan 8.360 nan 0.000 0.412 509 P HA -0.094 nan 4.420 nan 0.000 0.263 509 P C -0.324 176.973 177.300 -0.005 0.000 1.195 509 P CA 0.416 63.517 63.100 0.003 0.000 0.762 509 P CB 0.324 32.026 31.700 0.004 0.000 0.799 510 M N 3.630 123.230 119.600 0.001 0.000 2.219 510 M HA -0.082 4.397 4.480 -0.001 0.000 0.340 510 M C -0.371 175.887 176.300 -0.070 0.000 1.135 510 M CA 1.312 56.598 55.300 -0.023 0.000 0.976 510 M CB 0.053 32.656 32.600 0.005 0.000 1.713 510 M HN 0.265 nan 8.290 nan 0.000 0.457 511 K N 3.821 124.136 120.400 -0.142 0.000 2.482 511 K HA 0.520 4.839 4.320 -0.001 0.000 0.251 511 K C -1.585 174.731 176.600 -0.473 0.000 0.936 511 K CA -0.900 55.222 56.287 -0.275 0.000 0.791 511 K CB 2.505 34.831 32.500 -0.290 0.000 1.213 511 K HN 0.478 nan 8.250 nan 0.000 0.428 512 V N 3.954 123.593 119.914 -0.458 0.000 2.481 512 V HA 0.321 4.440 4.120 -0.001 0.000 0.286 512 V C -0.033 175.655 176.094 -0.677 0.000 1.042 512 V CA -0.418 61.607 62.300 -0.459 0.000 0.928 512 V CB 1.053 32.757 31.823 -0.199 0.000 0.986 512 V HN 0.706 nan 8.190 nan 0.000 0.462 513 H N 2.863 121.593 119.070 -0.567 0.000 3.024 513 H HA 0.676 5.231 4.556 -0.001 0.000 0.305 513 H C -0.994 174.111 175.328 -0.371 0.000 1.506 513 H CA -0.826 54.874 56.048 -0.581 0.000 1.324 513 H CB 1.998 31.185 29.762 -0.959 0.000 1.925 513 H HN 0.565 nan 8.280 nan 0.000 0.661 514 Q N 0.171 120.037 119.800 0.110 0.000 2.377 514 Q HA 0.354 4.694 4.340 -0.001 0.000 0.279 514 Q C -0.762 175.457 176.000 0.366 0.000 1.049 514 Q CA -0.858 55.098 55.803 0.254 0.000 0.825 514 Q CB 2.967 31.769 28.738 0.107 0.000 1.401 514 Q HN 0.469 nan 8.270 nan 0.000 0.404 515 R N 0.945 121.646 120.500 0.335 0.000 3.146 515 R HA -0.207 4.132 4.340 -0.001 0.000 0.250 515 R C -0.537 175.874 176.300 0.185 0.000 0.912 515 R CA -0.115 56.123 56.100 0.230 0.000 0.633 515 R CB -1.511 28.873 30.300 0.141 0.000 1.180 515 R HN 0.480 nan 8.270 nan 0.000 0.464 516 L N 2.271 123.537 121.223 0.071 0.000 2.700 516 L HA -0.055 4.284 4.340 -0.001 0.000 0.276 516 L C 0.830 177.646 176.870 -0.090 0.000 1.200 516 L CA 0.834 55.517 54.840 -0.261 0.000 0.951 516 L CB -0.182 41.424 42.059 -0.755 0.000 1.226 516 L HN 0.440 nan 8.230 nan 0.000 0.489 517 R N 2.200 122.661 120.500 -0.064 0.000 3.301 517 R HA -0.205 4.134 4.340 -0.001 0.000 0.249 517 R C 1.249 177.599 176.300 0.084 0.000 0.964 517 R CA 0.592 56.705 56.100 0.022 0.000 0.653 517 R CB -1.922 28.411 30.300 0.055 0.000 1.043 517 R HN 0.767 nan 8.270 nan 0.000 0.454 518 V N -2.908 117.054 119.914 0.080 0.000 2.287 518 V HA -0.342 3.777 4.120 -0.001 0.000 0.248 518 V C 2.277 178.437 176.094 0.110 0.000 1.053 518 V CA 2.078 64.440 62.300 0.103 0.000 1.027 518 V CB -0.489 31.388 31.823 0.090 0.000 0.646 518 V HN 0.319 nan 8.190 nan 0.000 0.447 519 Q N -0.122 119.723 119.800 0.076 0.000 2.062 519 Q HA -0.213 4.127 4.340 -0.001 0.000 0.209 519 Q C 2.172 178.234 176.000 0.102 0.000 0.996 519 Q CA 2.507 58.343 55.803 0.055 0.000 0.859 519 Q CB -0.443 28.296 28.738 0.001 0.000 0.920 519 Q HN 0.582 nan 8.270 nan 0.000 0.415 520 M N -1.230 118.458 119.600 0.148 0.000 2.200 520 M HA -0.065 4.415 4.480 -0.001 0.000 0.265 520 M C 2.612 179.202 176.300 0.483 0.000 1.066 520 M CA 1.429 56.912 55.300 0.305 0.000 1.127 520 M CB -1.777 31.062 32.600 0.398 0.000 1.379 520 M HN 0.595 nan 8.290 nan 0.000 0.420 521 C N -0.146 119.365 119.300 0.352 0.000 2.425 521 C HA 0.010 4.470 4.460 -0.001 0.000 0.277 521 C C 2.896 178.060 174.990 0.290 0.000 1.280 521 C CA 0.942 60.162 59.018 0.336 0.000 1.744 521 C CB -1.252 26.624 27.740 0.227 0.000 1.989 521 C HN 0.291 nan 8.230 nan 0.000 0.491 522 V N -0.160 119.892 119.914 0.230 0.000 2.427 522 V HA -0.157 3.963 4.120 -0.001 0.000 0.248 522 V C 2.307 178.518 176.094 0.195 0.000 1.051 522 V CA 2.173 64.582 62.300 0.182 0.000 1.048 522 V CB -0.852 31.052 31.823 0.135 0.000 0.666 522 V HN 0.701 nan 8.190 nan 0.000 0.456 523 F N -0.111 119.881 119.950 0.069 0.000 2.113 523 F HA -0.167 4.360 4.527 -0.001 0.000 0.297 523 F C 1.943 177.733 175.800 -0.018 0.000 1.103 523 F CA 1.628 59.618 58.000 -0.017 0.000 1.248 523 F CB -0.373 38.501 39.000 -0.210 0.000 0.999 523 F HN 0.171 nan 8.300 nan 0.000 0.475 524 W N 0.477 121.848 121.300 0.119 0.000 2.518 524 W HA -0.043 4.616 4.660 -0.001 0.000 0.273 524 W C 1.884 178.368 176.519 -0.059 0.000 1.247 524 W CA 0.621 57.965 57.345 -0.001 0.000 1.288 524 W CB -0.282 29.306 29.460 0.214 0.000 1.107 524 W HN -0.021 nan 8.180 nan 0.000 0.586 525 N N -0.932 117.871 118.700 0.172 0.000 2.368 525 N HA 0.013 4.752 4.740 -0.001 0.000 0.178 525 N C 1.360 176.860 175.510 -0.016 0.000 1.076 525 N CA 0.744 53.808 53.050 0.022 0.000 0.889 525 N CB 0.085 38.587 38.487 0.025 0.000 1.040 525 N HN 0.355 nan 8.380 nan 0.000 0.463 526 Q N -0.989 118.826 119.800 0.026 0.000 2.581 526 Q HA 0.196 4.535 4.340 -0.001 0.000 0.222 526 Q C 1.207 177.212 176.000 0.008 0.000 0.904 526 Q CA -0.051 55.771 55.803 0.032 0.000 0.923 526 Q CB 0.136 28.927 28.738 0.089 0.000 1.117 526 Q HN 0.104 nan 8.270 nan 0.000 0.618 527 F N 1.891 121.748 119.950 -0.154 0.000 2.074 527 F HA -0.158 4.369 4.527 -0.001 0.000 0.293 527 F C 1.999 177.617 175.800 -0.303 0.000 1.116 527 F CA 0.962 58.841 58.000 -0.202 0.000 1.212 527 F CB -0.350 38.544 39.000 -0.176 0.000 0.998 527 F HN 0.026 nan 8.300 nan 0.000 0.471 528 L N 1.169 121.989 121.223 -0.671 0.000 2.012 528 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 528 L C -0.825 175.777 176.870 -0.447 0.000 1.073 528 L CA 2.223 56.622 54.840 -0.735 0.000 0.748 528 L CB -1.977 39.566 42.059 -0.860 0.000 0.891 528 L HN 0.011 nan 8.230 nan 0.000 0.431 529 P HA -0.229 nan 4.420 nan 0.000 0.216 529 P C 1.506 178.689 177.300 -0.195 0.000 1.153 529 P CA 1.734 64.737 63.100 -0.162 0.000 0.858 529 P CB -0.064 31.574 31.700 -0.104 0.000 0.789 530 K N -0.158 120.096 120.400 -0.242 0.000 2.057 530 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 530 K C 2.051 178.475 176.600 -0.293 0.000 1.049 530 K CA 1.125 57.278 56.287 -0.225 0.000 0.931 530 K CB -0.833 31.547 32.500 -0.199 0.000 0.714 530 K HN 0.044 nan 8.250 nan 0.000 0.440 531 L N 0.963 121.892 121.223 -0.491 0.000 2.017 531 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 531 L C 2.078 178.789 176.870 -0.266 0.000 1.073 531 L CA 1.305 55.871 54.840 -0.457 0.000 0.745 531 L CB -0.183 41.459 42.059 -0.694 0.000 0.894 531 L HN 0.256 nan 8.230 nan 0.000 0.432 532 L N -0.114 120.963 121.223 -0.243 0.000 2.191 532 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 532 L C 2.356 179.162 176.870 -0.105 0.000 1.103 532 L CA 1.589 56.336 54.840 -0.154 0.000 0.769 532 L CB -0.795 41.187 42.059 -0.128 0.000 0.908 532 L HN 0.494 nan 8.230 nan 0.000 0.438 533 N N 0.104 118.738 118.700 -0.109 0.000 2.354 533 N HA -0.096 4.643 4.740 -0.001 0.000 0.179 533 N C 1.796 177.265 175.510 -0.068 0.000 1.021 533 N CA 0.871 53.877 53.050 -0.074 0.000 0.887 533 N CB 0.259 38.704 38.487 -0.069 0.000 0.974 533 N HN 0.301 nan 8.380 nan 0.000 0.437 534 A N 0.243 123.011 122.820 -0.088 0.000 1.984 534 A HA 0.057 4.376 4.320 -0.001 0.000 0.214 534 A C 1.334 178.883 177.584 -0.058 0.000 1.173 534 A CA 1.051 53.047 52.037 -0.068 0.000 0.673 534 A CB -0.349 18.605 19.000 -0.076 0.000 0.830 534 A HN 0.486 nan 8.150 nan 0.000 0.453 535 T N 0.000 114.511 114.554 -0.072 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658