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 1dx6_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 EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.651 174.600 0.085 0.000 1.055 4 S CA 0.000 58.233 58.200 0.054 0.000 1.107 4 S CB 0.000 63.231 63.200 0.051 0.000 0.593 5 E N 2.730 122.984 120.200 0.090 0.000 2.204 5 E HA -0.014 4.336 4.350 -0.001 0.000 0.195 5 E C 0.982 177.710 176.600 0.213 0.000 0.990 5 E CA 1.147 57.628 56.400 0.136 0.000 0.821 5 E CB -0.026 29.740 29.700 0.109 0.000 0.750 5 E HN 0.716 nan 8.360 nan 0.000 0.477 6 L N 0.976 122.288 121.223 0.149 0.000 2.611 6 L HA 0.195 4.535 4.340 -0.001 0.000 0.229 6 L C 0.024 177.073 176.870 0.299 0.000 1.137 6 L CA -0.385 54.539 54.840 0.140 0.000 0.901 6 L CB 0.328 42.371 42.059 -0.026 0.000 1.098 6 L HN 0.121 nan 8.230 nan 0.000 0.456 7 L N 0.655 122.039 121.223 0.268 0.000 2.313 7 L HA 0.597 4.936 4.340 -0.001 0.000 0.283 7 L C -0.717 176.256 176.870 0.172 0.000 1.013 7 L CA -0.343 54.642 54.840 0.240 0.000 0.816 7 L CB 1.787 43.926 42.059 0.134 0.000 1.236 7 L HN -0.303 nan 8.230 nan 0.000 0.419 8 V N 4.288 124.281 119.914 0.132 0.000 2.638 8 V HA 0.479 4.599 4.120 -0.001 0.000 0.306 8 V C -0.703 175.312 176.094 -0.132 0.000 1.052 8 V CA -0.792 61.414 62.300 -0.156 0.000 0.885 8 V CB 1.979 33.393 31.823 -0.682 0.000 0.999 8 V HN 0.773 nan 8.190 nan 0.000 0.424 9 N N 2.871 121.430 118.700 -0.235 0.000 2.422 9 N HA 0.604 5.343 4.740 -0.001 0.000 0.266 9 N C -0.186 175.019 175.510 -0.508 0.000 1.007 9 N CA -0.048 52.843 53.050 -0.264 0.000 0.941 9 N CB 1.573 39.900 38.487 -0.267 0.000 1.115 9 N HN 0.938 nan 8.380 nan 0.000 0.492 10 T N -0.110 114.247 114.554 -0.328 0.000 2.927 10 T HA 0.396 4.745 4.350 -0.001 0.000 0.286 10 T C 0.966 175.455 174.700 -0.352 0.000 1.040 10 T CA -0.614 61.279 62.100 -0.345 0.000 1.010 10 T CB 1.107 70.018 68.868 0.072 0.000 1.177 10 T HN 0.371 nan 8.240 nan 0.000 0.546 11 K N 0.195 120.446 120.400 -0.249 0.000 2.360 11 K HA 0.018 4.338 4.320 -0.001 0.000 0.201 11 K C 1.985 178.449 176.600 -0.227 0.000 1.046 11 K CA 0.934 57.099 56.287 -0.203 0.000 0.945 11 K CB -0.106 32.329 32.500 -0.108 0.000 0.750 11 K HN 0.414 nan 8.250 nan 0.000 0.464 12 S N -0.416 115.134 115.700 -0.251 0.000 2.517 12 S HA 0.177 4.647 4.470 -0.001 0.000 0.214 12 S C 0.459 174.375 174.600 -1.140 0.000 0.991 12 S CA 0.345 58.267 58.200 -0.463 0.000 0.906 12 S CB 0.878 63.999 63.200 -0.131 0.000 0.789 12 S HN 0.554 nan 8.310 nan 0.000 0.513 13 G N 1.202 109.540 108.800 -0.771 0.000 2.361 13 G HA2 0.091 4.051 3.960 -0.001 0.000 0.331 13 G HA3 0.091 4.051 3.960 -0.001 0.000 0.331 13 G C -1.830 173.024 174.900 -0.077 0.000 1.324 13 G CA -1.134 43.521 45.100 -0.741 0.000 0.984 13 G HN 0.007 nan 8.290 nan 0.000 0.586 14 K N -0.498 120.014 120.400 0.187 0.000 2.237 14 K HA 0.597 4.917 4.320 -0.001 0.000 0.270 14 K C -0.485 176.472 176.600 0.595 0.000 1.015 14 K CA -0.419 56.045 56.287 0.295 0.000 0.949 14 K CB 2.103 34.731 32.500 0.213 0.000 0.976 14 K HN 0.434 nan 8.250 nan 0.000 0.472 15 V N 3.146 123.349 119.914 0.482 0.000 2.789 15 V HA 0.345 4.465 4.120 -0.001 0.000 0.311 15 V C -1.123 175.273 176.094 0.503 0.000 1.073 15 V CA -0.939 61.710 62.300 0.581 0.000 0.921 15 V CB 2.067 34.281 31.823 0.651 0.000 1.009 15 V HN 0.766 nan 8.190 nan 0.000 0.426 16 M N 4.462 124.327 119.600 0.443 0.000 2.190 16 M HA 0.783 5.262 4.480 -0.001 0.000 0.312 16 M C 0.047 176.463 176.300 0.192 0.000 0.990 16 M CA 0.119 55.602 55.300 0.306 0.000 0.927 16 M CB 1.344 34.043 32.600 0.165 0.000 1.571 16 M HN 0.691 nan 8.290 nan 0.000 0.427 17 G N 1.461 110.238 108.800 -0.038 0.000 2.574 17 G HA2 0.665 4.624 3.960 -0.001 0.000 0.248 17 G HA3 0.665 4.624 3.960 -0.001 0.000 0.248 17 G C -1.086 173.603 174.900 -0.351 0.000 1.422 17 G CA -0.365 44.424 45.100 -0.518 0.000 1.051 17 G HN 0.693 nan 8.290 nan 0.000 0.560 18 T N -1.591 112.712 114.554 -0.418 0.000 2.900 18 T HA 0.527 4.877 4.350 -0.001 0.000 0.303 18 T C -0.746 173.825 174.700 -0.214 0.000 1.142 18 T CA -0.685 61.269 62.100 -0.244 0.000 1.007 18 T CB 1.600 70.353 68.868 -0.191 0.000 1.156 18 T HN 0.604 nan 8.240 nan 0.000 0.490 19 R N 2.428 122.851 120.500 -0.128 0.000 2.308 19 R HA 0.663 5.003 4.340 -0.001 0.000 0.305 19 R C -0.600 175.690 176.300 -0.017 0.000 1.053 19 R CA -0.486 55.573 56.100 -0.069 0.000 0.957 19 R CB 0.502 30.752 30.300 -0.084 0.000 1.022 19 R HN 0.516 nan 8.270 nan 0.000 0.461 20 V N 2.407 122.345 119.914 0.039 0.000 2.735 20 V HA 0.709 4.829 4.120 -0.001 0.000 0.310 20 V C -2.596 173.538 176.094 0.068 0.000 1.061 20 V CA -2.616 59.712 62.300 0.047 0.000 0.913 20 V CB 1.777 33.619 31.823 0.032 0.000 1.005 20 V HN 0.805 nan 8.190 nan 0.000 0.428 21 P HA 0.510 nan 4.420 nan 0.000 0.278 21 P C -1.036 176.111 177.300 -0.255 0.000 1.238 21 P CA -0.308 62.672 63.100 -0.201 0.000 0.794 21 P CB 1.786 33.387 31.700 -0.165 0.000 0.955 22 V N 3.284 122.961 119.914 -0.395 0.000 2.697 22 V HA 0.156 4.275 4.120 -0.001 0.000 0.300 22 V C 0.610 176.456 176.094 -0.414 0.000 1.115 22 V CA -0.958 61.105 62.300 -0.396 0.000 0.912 22 V CB 1.297 32.788 31.823 -0.553 0.000 1.024 22 V HN 0.482 nan 8.190 nan 0.000 0.431 23 L N 3.944 125.076 121.223 -0.153 0.000 3.854 23 L HA -0.261 4.079 4.340 -0.001 0.000 0.460 23 L C 1.106 177.880 176.870 -0.160 0.000 1.228 23 L CA 0.823 55.614 54.840 -0.082 0.000 0.760 23 L CB -1.478 40.605 42.059 0.039 0.000 1.597 23 L HN 1.490 nan 8.230 nan 0.000 0.852 24 S N -2.699 112.883 115.700 -0.197 0.000 3.614 24 S HA -0.219 4.251 4.470 -0.001 0.000 0.360 24 S C 0.126 174.555 174.600 -0.285 0.000 1.023 24 S CA 1.225 59.299 58.200 -0.210 0.000 1.114 24 S CB -1.155 61.985 63.200 -0.099 0.000 0.907 24 S HN 1.017 nan 8.310 nan 0.000 0.470 25 S N -0.519 114.890 115.700 -0.485 0.000 2.973 25 S HA 0.868 5.338 4.470 -0.001 0.000 0.317 25 S C -1.317 172.864 174.600 -0.698 0.000 1.196 25 S CA -0.372 57.567 58.200 -0.435 0.000 0.894 25 S CB 1.117 64.126 63.200 -0.319 0.000 1.292 25 S HN 0.828 nan 8.310 nan 0.000 0.614 26 H N -0.334 118.636 119.070 -0.167 0.000 3.016 26 H HA 0.755 5.310 4.556 -0.001 0.000 0.362 26 H C -0.675 174.634 175.328 -0.031 0.000 1.233 26 H CA -0.387 55.595 56.048 -0.109 0.000 1.124 26 H CB 1.434 31.168 29.762 -0.047 0.000 1.850 26 H HN 0.739 nan 8.280 nan 0.000 0.549 27 I N -2.186 118.469 120.570 0.141 0.000 3.195 27 I HA 0.704 4.873 4.170 -0.001 0.000 0.313 27 I C -1.050 175.156 176.117 0.149 0.000 1.237 27 I CA -1.043 60.364 61.300 0.180 0.000 0.963 27 I CB 2.547 40.684 38.000 0.229 0.000 1.278 27 I HN 0.418 nan 8.210 nan 0.000 0.460 28 S N 1.429 117.230 115.700 0.167 0.000 2.578 28 S HA 0.855 5.324 4.470 -0.001 0.000 0.283 28 S C -0.269 174.337 174.600 0.010 0.000 1.195 28 S CA -0.565 57.657 58.200 0.036 0.000 1.050 28 S CB 1.602 64.855 63.200 0.089 0.000 1.012 28 S HN 0.896 nan 8.310 nan 0.000 0.511 29 A N 1.809 124.458 122.820 -0.284 0.000 2.374 29 A HA 0.782 5.102 4.320 -0.001 0.000 0.305 29 A C -1.444 175.809 177.584 -0.551 0.000 1.053 29 A CA -0.648 51.163 52.037 -0.377 0.000 0.726 29 A CB 0.541 19.264 19.000 -0.462 0.000 1.229 29 A HN 0.636 nan 8.150 nan 0.000 0.431 30 F N 2.707 122.530 119.950 -0.211 0.000 2.366 30 F HA 0.489 5.015 4.527 -0.001 0.000 0.366 30 F C -0.125 175.561 175.800 -0.191 0.000 1.096 30 F CA -0.375 57.580 58.000 -0.075 0.000 1.060 30 F CB 1.268 40.322 39.000 0.091 0.000 1.282 30 F HN 0.363 nan 8.300 nan 0.000 0.450 31 L N 2.030 123.211 121.223 -0.069 0.000 2.334 31 L HA 0.704 5.043 4.340 -0.001 0.000 0.275 31 L C 0.993 177.898 176.870 0.057 0.000 1.036 31 L CA -1.077 53.714 54.840 -0.082 0.000 0.807 31 L CB 1.529 43.456 42.059 -0.221 0.000 1.231 31 L HN 0.817 nan 8.230 nan 0.000 0.438 32 G N 2.830 111.690 108.800 0.099 0.000 2.295 32 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.287 32 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.287 32 G C -0.173 174.825 174.900 0.163 0.000 1.055 32 G CA -0.235 44.936 45.100 0.119 0.000 0.922 32 G HN 0.462 nan 8.290 nan 0.000 0.503 33 I N 2.174 122.754 120.570 0.016 0.000 2.416 33 I HA 0.245 4.415 4.170 -0.001 0.000 0.288 33 I C -1.301 174.602 176.117 -0.358 0.000 1.051 33 I CA -2.198 58.926 61.300 -0.293 0.000 1.375 33 I CB 1.264 39.076 38.000 -0.314 0.000 1.407 33 I HN 0.021 nan 8.210 nan 0.000 0.516 34 P HA 0.068 nan 4.420 nan 0.000 0.280 34 P C -0.392 176.545 177.300 -0.606 0.000 1.244 34 P CA -0.006 62.579 63.100 -0.860 0.000 0.784 34 P CB 0.732 31.865 31.700 -0.946 0.000 0.913 35 F N 0.553 120.180 119.950 -0.539 0.000 2.798 35 F HA 0.734 5.260 4.527 -0.001 0.000 0.328 35 F C -0.073 175.641 175.800 -0.144 0.000 1.098 35 F CA -0.881 56.886 58.000 -0.389 0.000 1.172 35 F CB 0.063 38.797 39.000 -0.442 0.000 1.072 35 F HN 0.359 nan 8.300 nan 0.000 0.555 36 A N 0.045 122.515 122.820 -0.583 0.000 2.594 36 A HA 0.632 4.952 4.320 -0.001 0.000 0.291 36 A C -0.834 176.568 177.584 -0.303 0.000 1.105 36 A CA -0.740 51.101 52.037 -0.328 0.000 0.694 36 A CB 1.121 19.884 19.000 -0.396 0.000 1.291 36 A HN 0.044 nan 8.150 nan 0.000 0.410 37 E N 0.736 120.851 120.200 -0.141 0.000 2.398 37 E HA 0.276 4.625 4.350 -0.001 0.000 0.263 37 E C -2.346 174.167 176.600 -0.146 0.000 1.046 37 E CA -1.418 54.922 56.400 -0.100 0.000 0.908 37 E CB 0.093 29.776 29.700 -0.029 0.000 0.963 37 E HN 0.240 nan 8.360 nan 0.000 0.431 38 P HA 0.043 nan 4.420 nan 0.000 0.266 38 P C -2.190 175.062 177.300 -0.079 0.000 1.215 38 P CA -0.817 62.222 63.100 -0.103 0.000 0.763 38 P CB 0.112 31.790 31.700 -0.038 0.000 0.806 39 P HA 0.001 nan 4.420 nan 0.000 0.225 39 P C -0.242 177.013 177.300 -0.076 0.000 1.768 39 P CA 0.140 63.197 63.100 -0.072 0.000 0.943 39 P CB -0.135 31.523 31.700 -0.070 0.000 1.936 40 V N -2.903 116.973 119.914 -0.063 0.000 3.093 40 V HA 0.881 5.001 4.120 -0.001 0.000 0.320 40 V C 1.068 177.129 176.094 -0.054 0.000 1.093 40 V CA 0.109 62.370 62.300 -0.065 0.000 1.016 40 V CB 0.648 32.441 31.823 -0.051 0.000 1.096 40 V HN 0.522 nan 8.190 nan 0.000 0.452 41 G N 1.932 110.698 108.800 -0.057 0.000 2.629 41 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.313 41 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.313 41 G C 0.587 175.460 174.900 -0.046 0.000 1.217 41 G CA 1.097 46.170 45.100 -0.044 0.000 0.994 41 G HN 1.077 nan 8.290 nan 0.000 0.549 42 N N 0.576 119.266 118.700 -0.016 0.000 2.519 42 N HA 0.090 4.830 4.740 -0.001 0.000 0.186 42 N C 2.232 177.744 175.510 0.002 0.000 1.062 42 N CA 1.322 54.375 53.050 0.005 0.000 0.910 42 N CB -0.142 38.360 38.487 0.025 0.000 0.958 42 N HN 0.536 nan 8.380 nan 0.000 0.445 43 M N -0.411 119.177 119.600 -0.020 0.000 2.556 43 M HA 0.039 4.519 4.480 -0.001 0.000 0.245 43 M C 0.552 176.820 176.300 -0.053 0.000 1.128 43 M CA -0.054 55.235 55.300 -0.018 0.000 1.069 43 M CB 0.258 32.845 32.600 -0.021 0.000 1.469 43 M HN -0.003 nan 8.290 nan 0.000 0.494 44 R N 0.847 121.266 120.500 -0.135 0.000 2.538 44 R HA -0.103 4.237 4.340 -0.001 0.000 0.282 44 R C -0.475 175.631 176.300 -0.322 0.000 1.009 44 R CA 0.795 56.686 56.100 -0.349 0.000 1.063 44 R CB 0.089 30.043 30.300 -0.576 0.000 0.945 44 R HN 0.267 nan 8.270 nan 0.000 0.414 45 F N -0.750 119.196 119.950 -0.006 0.000 2.502 45 F HA -0.280 4.246 4.527 -0.001 0.000 0.480 45 F C 0.720 176.498 175.800 -0.037 0.000 0.543 45 F CA 0.966 58.935 58.000 -0.052 0.000 1.350 45 F CB -1.467 37.488 39.000 -0.076 0.000 1.999 45 F HN 0.627 nan 8.300 nan 0.000 0.267 46 R N 1.471 122.042 120.500 0.118 0.000 2.615 46 R HA 0.473 4.813 4.340 -0.001 0.000 0.270 46 R C 0.590 176.919 176.300 0.048 0.000 1.081 46 R CA -0.632 55.514 56.100 0.076 0.000 1.154 46 R CB 0.610 30.942 30.300 0.053 0.000 1.063 46 R HN 0.108 nan 8.270 nan 0.000 0.519 47 R N 2.448 122.977 120.500 0.048 0.000 2.698 47 R HA 0.053 4.393 4.340 -0.001 0.000 0.266 47 R C -1.854 174.473 176.300 0.044 0.000 1.026 47 R CA -0.909 55.219 56.100 0.048 0.000 1.102 47 R CB -0.061 30.272 30.300 0.056 0.000 0.978 47 R HN 0.467 nan 8.270 nan 0.000 0.436 48 P HA 0.021 nan 4.420 nan 0.000 0.272 48 P C -1.060 176.273 177.300 0.054 0.000 1.230 48 P CA -0.082 63.048 63.100 0.050 0.000 0.788 48 P CB 0.825 32.578 31.700 0.089 0.000 0.949 49 E N 1.693 121.914 120.200 0.034 0.000 2.212 49 E HA 0.392 4.741 4.350 -0.001 0.000 0.268 49 E C -2.319 174.311 176.600 0.049 0.000 0.902 49 E CA -3.067 53.357 56.400 0.041 0.000 0.779 49 E CB 1.582 31.297 29.700 0.025 0.000 1.172 49 E HN 0.312 nan 8.360 nan 0.000 0.409 50 P HA -0.009 nan 4.420 nan 0.000 0.268 50 P C -0.939 176.414 177.300 0.088 0.000 1.205 50 P CA -0.215 62.952 63.100 0.111 0.000 0.771 50 P CB 0.624 32.396 31.700 0.121 0.000 0.858 51 K N 3.885 124.347 120.400 0.104 0.000 2.416 51 K HA 0.042 4.361 4.320 -0.001 0.000 0.283 51 K C 0.086 176.777 176.600 0.152 0.000 1.037 51 K CA 0.196 56.543 56.287 0.100 0.000 0.995 51 K CB -0.023 32.538 32.500 0.102 0.000 0.938 51 K HN 0.253 nan 8.250 nan 0.000 0.475 52 K N 5.939 126.426 120.400 0.145 0.000 2.401 52 K HA 0.114 4.434 4.320 -0.001 0.000 0.278 52 K C -2.166 174.538 176.600 0.173 0.000 1.018 52 K CA -1.564 54.803 56.287 0.133 0.000 0.981 52 K CB 0.034 32.609 32.500 0.124 0.000 0.933 52 K HN 0.505 nan 8.250 nan 0.000 0.477 53 P HA -0.051 nan 4.420 nan 0.000 0.268 53 P C -1.177 176.146 177.300 0.037 0.000 1.208 53 P CA -0.019 63.004 63.100 -0.129 0.000 0.777 53 P CB 0.278 31.871 31.700 -0.178 0.000 0.875 54 W N 0.897 122.282 121.300 0.142 0.000 2.706 54 W HA 0.701 5.361 4.660 -0.001 0.000 0.346 54 W C -0.569 176.030 176.519 0.134 0.000 1.071 54 W CA -0.905 56.540 57.345 0.166 0.000 1.206 54 W CB 0.108 29.739 29.460 0.284 0.000 1.413 54 W HN 0.374 nan 8.180 nan 0.000 0.542 55 S N 1.684 117.565 115.700 0.302 0.000 2.730 55 S HA 0.898 5.368 4.470 -0.001 0.000 0.284 55 S C 0.458 175.252 174.600 0.323 0.000 1.153 55 S CA -0.007 58.309 58.200 0.194 0.000 0.995 55 S CB 0.879 64.148 63.200 0.116 0.000 1.058 55 S HN 2.220 nan 8.310 nan 0.000 0.552 56 G N -0.773 108.162 108.800 0.226 0.000 2.725 56 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.220 56 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.220 56 G C -0.943 174.152 174.900 0.326 0.000 1.357 56 G CA -0.398 44.834 45.100 0.221 0.000 0.866 56 G HN 1.595 nan 8.290 nan 0.000 0.548 57 V N 0.630 120.689 119.914 0.241 0.000 2.448 57 V HA 0.554 4.674 4.120 -0.001 0.000 0.295 57 V C 0.139 176.352 176.094 0.198 0.000 1.025 57 V CA -0.595 61.872 62.300 0.279 0.000 0.859 57 V CB 1.885 33.812 31.823 0.172 0.000 0.988 57 V HN 0.746 nan 8.190 nan 0.000 0.431 58 W N 5.258 126.627 121.300 0.115 0.000 2.345 58 W HA 0.266 4.926 4.660 -0.001 0.000 0.308 58 W C 0.210 176.716 176.519 -0.022 0.000 1.273 58 W CA -0.528 56.736 57.345 -0.136 0.000 1.243 58 W CB 0.956 30.152 29.460 -0.440 0.000 1.260 58 W HN 0.640 nan 8.180 nan 0.000 0.509 59 N N 4.602 123.122 118.700 -0.299 0.000 2.406 59 N HA 0.166 4.906 4.740 -0.001 0.000 0.265 59 N C -0.510 175.050 175.510 0.083 0.000 1.203 59 N CA 0.289 53.273 53.050 -0.110 0.000 0.945 59 N CB 0.843 39.194 38.487 -0.228 0.000 1.165 59 N HN 0.370 nan 8.380 nan 0.000 0.485 60 A N 2.779 125.728 122.820 0.216 0.000 3.154 60 A HA 0.234 4.553 4.320 -0.001 0.000 0.310 60 A C 0.861 178.464 177.584 0.032 0.000 1.093 60 A CA -0.457 51.722 52.037 0.236 0.000 1.006 60 A CB -0.420 18.800 19.000 0.367 0.000 1.084 60 A HN 0.620 nan 8.150 nan 0.000 0.549 61 S N -1.016 114.663 115.700 -0.035 0.000 2.523 61 S HA 0.209 4.679 4.470 -0.001 0.000 0.217 61 S C 0.657 175.172 174.600 -0.142 0.000 0.996 61 S CA 0.562 58.694 58.200 -0.114 0.000 0.921 61 S CB -0.185 62.955 63.200 -0.100 0.000 0.829 61 S HN 0.875 nan 8.310 nan 0.000 0.495 62 T N -0.919 113.571 114.554 -0.108 0.000 2.903 62 T HA 0.631 4.981 4.350 -0.001 0.000 0.299 62 T C -0.882 173.793 174.700 -0.042 0.000 1.093 62 T CA -0.744 61.285 62.100 -0.118 0.000 1.002 62 T CB 0.684 69.507 68.868 -0.075 0.000 1.127 62 T HN 0.047 nan 8.240 nan 0.000 0.488 63 Y N 2.875 123.142 120.300 -0.055 0.000 2.683 63 Y HA 0.296 4.846 4.550 -0.001 0.000 0.340 63 Y C -1.386 174.452 175.900 -0.103 0.000 1.245 63 Y CA -1.100 56.968 58.100 -0.054 0.000 1.485 63 Y CB 0.025 38.474 38.460 -0.019 0.000 1.328 63 Y HN 0.541 nan 8.280 nan 0.000 0.603 64 P HA 0.119 nan 4.420 nan 0.000 0.284 64 P C -0.683 176.535 177.300 -0.138 0.000 1.292 64 P CA -0.589 62.388 63.100 -0.205 0.000 0.800 64 P CB 0.943 32.411 31.700 -0.387 0.000 1.188 65 N N 0.305 118.891 118.700 -0.190 0.000 2.340 65 N HA 0.076 4.816 4.740 -0.001 0.000 0.236 65 N C 0.050 175.525 175.510 -0.058 0.000 1.296 65 N CA 0.337 53.326 53.050 -0.102 0.000 0.896 65 N CB -0.179 38.256 38.487 -0.086 0.000 1.127 65 N HN 0.430 nan 8.380 nan 0.000 0.442 66 N N -0.824 117.835 118.700 -0.068 0.000 2.472 66 N HA 0.322 5.061 4.740 -0.001 0.000 0.289 66 N C -0.430 175.040 175.510 -0.067 0.000 1.156 66 N CA -0.720 52.288 53.050 -0.071 0.000 0.940 66 N CB 1.052 39.471 38.487 -0.113 0.000 1.200 66 N HN 0.411 nan 8.380 nan 0.000 0.511 67 c N 1.012 119.576 118.600 -0.061 0.000 2.700 67 c HA 0.046 4.616 4.570 -0.001 0.000 0.397 67 c C 0.649 174.659 174.090 -0.134 0.000 1.301 67 c CA -0.546 55.726 56.329 -0.095 0.000 2.219 67 c CB -0.108 42.370 42.510 -0.053 0.000 2.699 67 c HN 0.528 nan 8.230 nan 0.000 0.669 68 Q N 2.407 122.049 119.800 -0.262 0.000 2.274 68 Q HA 0.206 4.546 4.340 -0.001 0.000 0.280 68 Q C -0.046 175.917 176.000 -0.062 0.000 1.047 68 Q CA 0.962 56.600 55.803 -0.275 0.000 0.907 68 Q CB 0.481 28.806 28.738 -0.689 0.000 1.171 68 Q HN 0.866 nan 8.270 nan 0.000 0.381 69 Q N 1.419 121.262 119.800 0.071 0.000 2.575 69 Q HA 0.318 4.657 4.340 -0.001 0.000 0.290 69 Q C -1.287 174.896 176.000 0.304 0.000 0.963 69 Q CA -1.029 54.913 55.803 0.233 0.000 0.783 69 Q CB 0.819 29.660 28.738 0.172 0.000 1.467 69 Q HN 0.469 nan 8.270 nan 0.000 0.402 70 Y N 1.106 121.610 120.300 0.340 0.000 2.526 70 Y HA 0.332 4.881 4.550 -0.001 0.000 0.330 70 Y C -0.909 175.176 175.900 0.310 0.000 1.156 70 Y CA 0.164 58.486 58.100 0.370 0.000 1.419 70 Y CB 0.840 39.631 38.460 0.552 0.000 1.250 70 Y HN 0.438 nan 8.280 nan 0.000 0.540 71 V N 6.721 126.465 119.914 -0.284 0.000 2.427 71 V HA 0.103 4.223 4.120 -0.001 0.000 0.286 71 V C -0.324 175.611 176.094 -0.266 0.000 1.034 71 V CA -1.006 61.200 62.300 -0.157 0.000 0.893 71 V CB 1.422 33.179 31.823 -0.110 0.000 0.982 71 V HN 0.721 nan 8.190 nan 0.000 0.452 72 D N 3.976 124.399 120.400 0.039 0.000 2.382 72 D HA 0.085 4.725 4.640 -0.001 0.000 0.259 72 D C 0.693 177.045 176.300 0.087 0.000 1.224 72 D CA 0.221 54.316 54.000 0.158 0.000 0.894 72 D CB 0.921 41.919 40.800 0.329 0.000 1.127 72 D HN 0.604 nan 8.370 nan 0.000 0.487 73 E N 3.093 123.306 120.200 0.022 0.000 2.583 73 E HA -0.022 4.328 4.350 -0.001 0.000 0.213 73 E C 1.131 177.677 176.600 -0.091 0.000 0.989 73 E CA -0.182 56.208 56.400 -0.017 0.000 0.991 73 E CB 0.574 30.238 29.700 -0.058 0.000 1.040 73 E HN 0.517 nan 8.360 nan 0.000 0.481 74 Q N -0.301 119.397 119.800 -0.170 0.000 2.135 74 Q HA -0.071 4.268 4.340 -0.001 0.000 0.204 74 Q C 0.090 175.534 176.000 -0.926 0.000 0.981 74 Q CA 1.120 56.528 55.803 -0.658 0.000 0.856 74 Q CB 0.058 28.123 28.738 -1.121 0.000 0.902 74 Q HN 0.205 nan 8.270 nan 0.000 0.425 75 F N -0.182 119.829 119.950 0.102 0.000 2.710 75 F HA 0.343 4.869 4.527 -0.001 0.000 0.345 75 F C -2.169 173.713 175.800 0.138 0.000 1.362 75 F CA -2.927 55.129 58.000 0.094 0.000 1.175 75 F CB 0.950 40.014 39.000 0.107 0.000 1.561 75 F HN -0.207 nan 8.300 nan 0.000 0.593 76 P HA 0.022 nan 4.420 nan 0.000 0.257 76 P C 1.080 178.472 177.300 0.153 0.000 1.153 76 P CA 1.729 64.906 63.100 0.128 0.000 0.762 76 P CB 0.411 32.152 31.700 0.068 0.000 0.743 77 G N 2.903 111.778 108.800 0.125 0.000 2.220 77 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.269 77 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.269 77 G C 0.153 175.122 174.900 0.116 0.000 0.977 77 G CA -0.195 44.960 45.100 0.090 0.000 0.634 77 G HN 0.563 nan 8.290 nan 0.000 0.539 78 F N 3.144 123.104 119.950 0.017 0.000 2.506 78 F HA 0.467 4.993 4.527 -0.001 0.000 0.371 78 F C 1.703 177.439 175.800 -0.107 0.000 1.078 78 F CA -0.011 57.942 58.000 -0.078 0.000 1.195 78 F CB 0.921 39.868 39.000 -0.087 0.000 1.099 78 F HN 0.255 nan 8.300 nan 0.000 0.548 79 S N 3.401 118.695 115.700 -0.678 0.000 2.419 79 S HA -0.122 4.348 4.470 -0.001 0.000 0.233 79 S C 2.208 176.400 174.600 -0.679 0.000 1.016 79 S CA 0.871 58.727 58.200 -0.574 0.000 0.974 79 S CB -1.236 61.668 63.200 -0.494 0.000 0.786 79 S HN 0.854 nan 8.310 nan 0.000 0.492 80 G N 1.802 109.745 108.800 -1.428 0.000 2.442 80 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.219 80 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.219 80 G C 1.714 176.816 174.900 0.336 0.000 1.141 80 G CA 1.353 45.885 45.100 -0.947 0.000 0.763 80 G HN 0.812 nan 8.290 nan 0.000 0.554 81 S N -0.461 115.516 115.700 0.462 0.000 2.499 81 S HA 0.143 4.612 4.470 -0.001 0.000 0.225 81 S C 1.772 176.655 174.600 0.471 0.000 1.050 81 S CA 0.439 59.165 58.200 0.877 0.000 0.928 81 S CB 0.094 63.920 63.200 1.044 0.000 0.803 81 S HN 0.239 nan 8.310 nan 0.000 0.506 82 E N 2.471 122.784 120.200 0.188 0.000 2.274 82 E HA -0.042 4.308 4.350 -0.001 0.000 0.194 82 E C 2.019 178.570 176.600 -0.081 0.000 0.996 82 E CA 1.066 57.502 56.400 0.060 0.000 0.840 82 E CB -0.500 29.196 29.700 -0.006 0.000 0.772 82 E HN 0.866 nan 8.360 nan 0.000 0.491 83 M N -2.391 117.069 119.600 -0.234 0.000 2.446 83 M HA -0.057 4.423 4.480 -0.001 0.000 0.263 83 M C 1.222 177.135 176.300 -0.646 0.000 1.066 83 M CA 1.337 56.333 55.300 -0.506 0.000 1.087 83 M CB -0.471 31.712 32.600 -0.695 0.000 1.406 83 M HN -0.008 nan 8.290 nan 0.000 0.459 84 W N 0.853 122.121 121.300 -0.053 0.000 2.996 84 W HA 0.273 4.932 4.660 -0.001 0.000 0.270 84 W C 0.554 177.009 176.519 -0.107 0.000 1.280 84 W CA -0.848 56.437 57.345 -0.099 0.000 1.549 84 W CB -0.105 29.331 29.460 -0.039 0.000 1.079 84 W HN 0.102 nan 8.180 nan 0.000 0.629 85 N N 1.517 120.271 118.700 0.090 0.000 2.467 85 N HA 0.128 4.868 4.740 -0.001 0.000 0.262 85 N C -2.458 173.027 175.510 -0.042 0.000 1.234 85 N CA -1.378 51.696 53.050 0.041 0.000 0.952 85 N CB -0.131 38.383 38.487 0.045 0.000 1.158 85 N HN -0.347 nan 8.380 nan 0.000 0.463 86 P HA 0.049 nan 4.420 nan 0.000 0.265 86 P C 0.126 177.376 177.300 -0.085 0.000 1.193 86 P CA 0.064 63.112 63.100 -0.088 0.000 0.765 86 P CB 0.273 31.931 31.700 -0.071 0.000 0.823 87 N N 2.274 120.910 118.700 -0.107 0.000 2.234 87 N HA 0.097 4.837 4.740 -0.001 0.000 0.227 87 N C 0.099 175.569 175.510 -0.067 0.000 1.151 87 N CA -0.097 52.901 53.050 -0.087 0.000 0.865 87 N CB 0.425 38.850 38.487 -0.104 0.000 1.066 87 N HN 0.184 nan 8.380 nan 0.000 0.515 88 R N -0.131 120.325 120.500 -0.074 0.000 2.855 88 R HA 0.314 4.654 4.340 -0.001 0.000 0.266 88 R C -0.752 175.513 176.300 -0.059 0.000 1.034 88 R CA -0.734 55.331 56.100 -0.059 0.000 0.944 88 R CB 1.091 31.349 30.300 -0.070 0.000 1.219 88 R HN 0.125 nan 8.270 nan 0.000 0.474 89 E N 1.097 121.264 120.200 -0.055 0.000 2.413 89 E HA 0.048 4.397 4.350 -0.001 0.000 0.263 89 E C -0.401 176.161 176.600 -0.064 0.000 1.015 89 E CA 0.432 56.800 56.400 -0.054 0.000 0.916 89 E CB 0.568 30.236 29.700 -0.054 0.000 0.947 89 E HN 0.260 nan 8.360 nan 0.000 0.440 90 M N 2.378 121.940 119.600 -0.064 0.000 2.314 90 M HA 0.342 4.821 4.480 -0.001 0.000 0.342 90 M C -0.410 175.836 176.300 -0.090 0.000 1.171 90 M CA -0.306 54.946 55.300 -0.080 0.000 1.098 90 M CB 1.661 34.214 32.600 -0.078 0.000 1.559 90 M HN 0.445 nan 8.290 nan 0.000 0.459 91 S N 0.381 116.014 115.700 -0.112 0.000 2.543 91 S HA 0.216 4.686 4.470 -0.001 0.000 0.274 91 S C -0.021 174.484 174.600 -0.160 0.000 1.149 91 S CA -0.676 57.455 58.200 -0.117 0.000 0.866 91 S CB 1.433 64.592 63.200 -0.069 0.000 1.111 91 S HN 0.842 nan 8.310 nan 0.000 0.457 92 E N 0.970 121.052 120.200 -0.196 0.000 2.338 92 E HA -0.079 4.270 4.350 -0.001 0.000 0.197 92 E C -0.297 176.233 176.600 -0.117 0.000 1.007 92 E CA 0.544 56.806 56.400 -0.230 0.000 0.849 92 E CB 0.118 29.681 29.700 -0.229 0.000 0.774 92 E HN 0.501 nan 8.360 nan 0.000 0.506 93 D N 0.269 120.638 120.400 -0.052 0.000 2.453 93 D HA 0.010 4.649 4.640 -0.001 0.000 0.223 93 D C -0.023 176.362 176.300 0.142 0.000 1.183 93 D CA -0.343 53.675 54.000 0.030 0.000 0.933 93 D CB 0.091 40.929 40.800 0.062 0.000 1.038 93 D HN 0.127 nan 8.370 nan 0.000 0.513 94 c N 2.527 121.194 118.600 0.111 0.000 3.865 94 c HA 0.361 4.931 4.570 -0.001 0.000 0.297 94 c C 0.623 174.808 174.090 0.159 0.000 1.758 94 c CA -0.648 55.810 56.329 0.216 0.000 1.778 94 c CB -1.255 41.291 42.510 0.060 0.000 3.158 94 c HN 0.447 nan 8.230 nan 0.000 0.598 95 L N 2.669 123.730 121.223 -0.270 0.000 2.384 95 L HA 0.373 4.713 4.340 -0.001 0.000 0.258 95 L C -0.738 175.430 176.870 -1.169 0.000 1.266 95 L CA 0.550 54.995 54.840 -0.658 0.000 1.162 95 L CB -0.710 40.821 42.059 -0.880 0.000 1.375 95 L HN 0.385 nan 8.230 nan 0.000 0.420 96 Y N 1.808 122.016 120.300 -0.153 0.000 2.630 96 Y HA 0.709 5.258 4.550 -0.001 0.000 0.337 96 Y C -0.022 176.038 175.900 0.267 0.000 1.051 96 Y CA -1.314 56.764 58.100 -0.035 0.000 1.121 96 Y CB 1.724 40.154 38.460 -0.051 0.000 1.299 96 Y HN 0.168 nan 8.280 nan 0.000 0.498 97 L N -0.244 121.146 121.223 0.278 0.000 2.376 97 L HA 0.752 5.091 4.340 -0.001 0.000 0.258 97 L C -1.415 175.497 176.870 0.069 0.000 1.013 97 L CA -1.171 53.763 54.840 0.155 0.000 0.822 97 L CB 1.948 44.001 42.059 -0.010 0.000 1.388 97 L HN 0.464 nan 8.230 nan 0.000 0.413 98 N N 1.944 120.689 118.700 0.074 0.000 2.269 98 N HA 0.712 5.451 4.740 -0.001 0.000 0.304 98 N C -1.303 174.141 175.510 -0.109 0.000 1.072 98 N CA -0.257 52.755 53.050 -0.063 0.000 0.802 98 N CB 2.777 41.210 38.487 -0.089 0.000 1.348 98 N HN 0.661 nan 8.380 nan 0.000 0.484 99 I N 0.390 120.834 120.570 -0.210 0.000 2.498 99 I HA 0.402 4.571 4.170 -0.001 0.000 0.290 99 I C -0.644 175.454 176.117 -0.031 0.000 1.032 99 I CA -0.736 60.526 61.300 -0.064 0.000 1.073 99 I CB 2.137 40.008 38.000 -0.215 0.000 1.251 99 I HN 0.243 nan 8.210 nan 0.000 0.426 100 W N 5.683 127.112 121.300 0.215 0.000 2.429 100 W HA 0.576 5.236 4.660 -0.001 0.000 0.314 100 W C -0.987 175.672 176.519 0.234 0.000 1.062 100 W CA -0.639 56.834 57.345 0.213 0.000 1.211 100 W CB 2.189 31.746 29.460 0.160 0.000 1.305 100 W HN 0.105 nan 8.180 nan 0.000 0.476 101 V N 5.166 125.366 119.914 0.476 0.000 2.487 101 V HA 0.258 4.378 4.120 -0.001 0.000 0.298 101 V C -2.005 174.292 176.094 0.339 0.000 1.028 101 V CA -2.347 60.196 62.300 0.405 0.000 0.860 101 V CB 1.945 34.071 31.823 0.506 0.000 0.991 101 V HN 0.264 nan 8.190 nan 0.000 0.427 102 P HA 0.058 nan 4.420 nan 0.000 0.267 102 P C -0.513 176.923 177.300 0.226 0.000 1.201 102 P CA 0.403 63.647 63.100 0.240 0.000 0.775 102 P CB 0.493 32.298 31.700 0.176 0.000 0.854 103 S N 1.773 117.604 115.700 0.218 0.000 2.519 103 S HA 0.567 5.037 4.470 -0.001 0.000 0.309 103 S C -2.454 172.239 174.600 0.155 0.000 1.100 103 S CA -1.571 56.738 58.200 0.181 0.000 1.059 103 S CB 0.205 63.509 63.200 0.172 0.000 1.008 103 S HN 0.255 nan 8.310 nan 0.000 0.478 104 P HA 0.187 nan 4.420 nan 0.000 0.272 104 P C -0.525 176.852 177.300 0.129 0.000 1.223 104 P CA -0.585 62.585 63.100 0.116 0.000 0.784 104 P CB 0.407 32.160 31.700 0.088 0.000 0.923 105 R N 2.299 122.883 120.500 0.140 0.000 2.504 105 R HA 0.065 4.405 4.340 -0.001 0.000 0.291 105 R C -1.871 174.499 176.300 0.117 0.000 0.974 105 R CA -0.780 55.412 56.100 0.154 0.000 1.077 105 R CB -0.476 29.917 30.300 0.153 0.000 0.926 105 R HN 0.376 nan 8.270 nan 0.000 0.407 106 P HA 0.062 nan 4.420 nan 0.000 0.274 106 P C -0.208 177.133 177.300 0.069 0.000 1.260 106 P CA -0.368 62.785 63.100 0.087 0.000 0.793 106 P CB 0.697 32.452 31.700 0.092 0.000 1.048 107 K N -0.736 119.692 120.400 0.046 0.000 2.240 107 K HA 0.173 4.492 4.320 -0.001 0.000 0.202 107 K C 0.558 177.164 176.600 0.011 0.000 1.053 107 K CA 0.937 57.240 56.287 0.027 0.000 0.973 107 K CB -0.281 32.230 32.500 0.019 0.000 0.924 107 K HN 0.288 nan 8.250 nan 0.000 0.477 108 S N 1.035 116.741 115.700 0.011 0.000 2.680 108 S HA 0.152 4.621 4.470 -0.001 0.000 0.140 108 S C -0.973 173.631 174.600 0.005 0.000 1.357 108 S CA -0.308 57.890 58.200 -0.004 0.000 1.201 108 S CB 0.344 63.531 63.200 -0.022 0.000 1.547 108 S HN 0.160 nan 8.310 nan 0.000 0.411 109 T N 1.550 116.118 114.554 0.023 0.000 2.936 109 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 109 T C 0.205 174.919 174.700 0.024 0.000 1.003 109 T CA -0.032 62.084 62.100 0.026 0.000 1.005 109 T CB 1.037 69.931 68.868 0.044 0.000 1.097 109 T HN 0.383 nan 8.240 nan 0.000 0.532 110 T N 2.353 116.917 114.554 0.016 0.000 2.905 110 T HA 0.245 4.595 4.350 -0.001 0.000 0.299 110 T C -0.245 174.477 174.700 0.036 0.000 1.024 110 T CA -0.050 62.056 62.100 0.010 0.000 1.151 110 T CB 0.026 68.889 68.868 -0.009 0.000 0.987 110 T HN 0.392 nan 8.240 nan 0.000 0.535 111 V N 5.504 125.444 119.914 0.043 0.000 2.513 111 V HA 0.526 4.645 4.120 -0.001 0.000 0.299 111 V C 0.040 176.186 176.094 0.088 0.000 1.035 111 V CA -0.748 61.600 62.300 0.080 0.000 0.889 111 V CB 1.759 33.634 31.823 0.085 0.000 0.988 111 V HN 0.832 nan 8.190 nan 0.000 0.440 112 M N 4.502 124.180 119.600 0.130 0.000 2.259 112 M HA 0.566 5.046 4.480 -0.001 0.000 0.304 112 M C -1.420 175.113 176.300 0.387 0.000 1.019 112 M CA -0.619 54.780 55.300 0.165 0.000 0.922 112 M CB 2.268 34.844 32.600 -0.041 0.000 1.600 112 M HN 0.354 nan 8.290 nan 0.000 0.433 113 V N 3.057 123.248 119.914 0.462 0.000 2.409 113 V HA 0.383 4.503 4.120 -0.001 0.000 0.291 113 V C -0.872 175.532 176.094 0.517 0.000 1.020 113 V CA -0.640 61.914 62.300 0.424 0.000 0.848 113 V CB 1.753 33.692 31.823 0.193 0.000 0.990 113 V HN 0.873 nan 8.190 nan 0.000 0.430 114 W N 6.911 128.315 121.300 0.174 0.000 2.351 114 W HA 0.640 5.300 4.660 -0.001 0.000 0.311 114 W C -1.379 175.031 176.519 -0.183 0.000 1.168 114 W CA -0.795 56.386 57.345 -0.273 0.000 1.200 114 W CB 1.265 30.567 29.460 -0.263 0.000 1.221 114 W HN 0.442 nan 8.180 nan 0.000 0.519 115 I N 9.133 129.113 120.570 -0.983 0.000 2.382 115 I HA 0.065 4.235 4.170 -0.001 0.000 0.285 115 I C -0.255 175.117 176.117 -1.242 0.000 1.007 115 I CA -1.133 59.660 61.300 -0.845 0.000 1.142 115 I CB 0.627 38.288 38.000 -0.565 0.000 1.289 115 I HN 0.307 nan 8.210 nan 0.000 0.453 116 Y N 4.630 124.447 120.300 -0.804 0.000 2.457 116 Y HA 0.633 5.182 4.550 -0.001 0.000 0.341 116 Y C 0.735 176.458 175.900 -0.295 0.000 1.240 116 Y CA -0.874 56.845 58.100 -0.635 0.000 1.437 116 Y CB -0.061 38.263 38.460 -0.227 0.000 1.328 116 Y HN 0.539 nan 8.280 nan 0.000 0.588 117 G N -0.434 108.377 108.800 0.018 0.000 2.531 117 G HA2 0.490 4.450 3.960 -0.001 0.000 0.281 117 G HA3 0.490 4.450 3.960 -0.001 0.000 0.281 117 G C 0.258 175.131 174.900 -0.045 0.000 1.382 117 G CA -0.884 44.169 45.100 -0.078 0.000 1.045 117 G HN 1.738 nan 8.290 nan 0.000 0.533 118 G N -2.822 105.793 108.800 -0.308 0.000 2.321 118 G HA2 0.417 4.376 3.960 -0.001 0.000 0.219 118 G HA3 0.417 4.376 3.960 -0.001 0.000 0.219 118 G C 0.987 175.414 174.900 -0.788 0.000 1.057 118 G CA 0.663 45.462 45.100 -0.503 0.000 0.849 118 G HN 2.265 nan 8.290 nan 0.000 0.520 119 G N -0.381 107.943 108.800 -0.793 0.000 2.269 119 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.277 119 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.277 119 G C 0.963 175.714 174.900 -0.249 0.000 1.008 119 G CA 0.848 45.367 45.100 -0.968 0.000 0.774 119 G HN 1.738 nan 8.290 nan 0.000 0.511 120 F N -3.532 116.366 119.950 -0.086 0.000 2.825 120 F HA -0.327 4.199 4.527 -0.001 0.000 0.358 120 F C 1.499 177.439 175.800 0.235 0.000 0.639 120 F CA 2.255 60.309 58.000 0.090 0.000 1.153 120 F CB -2.021 36.895 39.000 -0.139 0.000 1.610 120 F HN 0.891 nan 8.300 nan 0.000 0.305 121 Y N -1.043 119.369 120.300 0.186 0.000 2.453 121 Y HA 0.655 5.204 4.550 -0.001 0.000 0.247 121 Y C 0.625 176.636 175.900 0.186 0.000 1.124 121 Y CA 0.243 58.465 58.100 0.203 0.000 1.243 121 Y CB -0.033 38.471 38.460 0.073 0.000 1.213 121 Y HN 0.076 nan 8.280 nan 0.000 0.523 122 S N -0.796 114.739 115.700 -0.274 0.000 2.752 122 S HA 0.901 5.371 4.470 -0.001 0.000 0.284 122 S C -0.174 174.294 174.600 -0.219 0.000 1.189 122 S CA -0.542 57.534 58.200 -0.207 0.000 0.835 122 S CB 1.483 64.474 63.200 -0.349 0.000 1.192 122 S HN 1.309 nan 8.310 nan 0.000 0.506 123 G N -0.426 108.212 108.800 -0.270 0.000 2.465 123 G HA2 0.422 4.382 3.960 -0.001 0.000 0.681 123 G HA3 0.422 4.382 3.960 -0.001 0.000 0.681 123 G C -1.021 173.286 174.900 -0.988 0.000 1.340 123 G CA -0.325 44.449 45.100 -0.542 0.000 0.884 123 G HN 1.438 nan 8.290 nan 0.000 0.650 124 S N -1.028 114.018 115.700 -1.090 0.000 2.537 124 S HA 0.670 5.140 4.470 -0.001 0.000 0.270 124 S C 0.867 175.270 174.600 -0.328 0.000 1.142 124 S CA 0.112 57.885 58.200 -0.713 0.000 0.870 124 S CB 1.769 64.781 63.200 -0.313 0.000 1.112 124 S HN 1.992 nan 8.310 nan 0.000 0.466 125 S N -0.154 115.548 115.700 0.002 0.000 2.562 125 S HA -0.041 4.429 4.470 -0.001 0.000 0.221 125 S C 1.318 175.985 174.600 0.112 0.000 0.975 125 S CA 0.828 59.218 58.200 0.317 0.000 0.918 125 S CB -0.607 62.819 63.200 0.377 0.000 0.772 125 S HN 0.851 nan 8.310 nan 0.000 0.531 126 T N -0.094 114.329 114.554 -0.219 0.000 3.069 126 T HA 0.406 4.756 4.350 -0.001 0.000 0.252 126 T C 0.503 174.946 174.700 -0.427 0.000 1.053 126 T CA -0.559 61.101 62.100 -0.734 0.000 0.964 126 T CB -0.565 67.712 68.868 -0.985 0.000 1.005 126 T HN 0.313 nan 8.240 nan 0.000 0.532 127 L N 2.228 123.298 121.223 -0.256 0.000 2.506 127 L HA 0.108 4.448 4.340 -0.001 0.000 0.281 127 L C 1.309 177.976 176.870 -0.338 0.000 1.228 127 L CA -0.407 54.205 54.840 -0.379 0.000 0.850 127 L CB 0.331 41.961 42.059 -0.715 0.000 1.110 127 L HN 0.103 nan 8.230 nan 0.000 0.496 128 D N 1.306 121.526 120.400 -0.301 0.000 2.149 128 D HA -0.137 4.502 4.640 -0.001 0.000 0.198 128 D C 1.977 178.089 176.300 -0.313 0.000 0.990 128 D CA 1.285 55.160 54.000 -0.208 0.000 0.839 128 D CB -0.053 40.642 40.800 -0.174 0.000 0.948 128 D HN 0.528 nan 8.370 nan 0.000 0.460 129 V N -0.973 118.602 119.914 -0.564 0.000 3.078 129 V HA -0.171 3.949 4.120 -0.001 0.000 0.265 129 V C 1.259 176.868 176.094 -0.808 0.000 1.122 129 V CA 1.041 62.958 62.300 -0.638 0.000 1.141 129 V CB -1.123 30.211 31.823 -0.814 0.000 0.735 129 V HN 0.073 nan 8.190 nan 0.000 0.498 130 Y N -0.045 119.821 120.300 -0.724 0.000 2.524 130 Y HA 0.417 4.967 4.550 -0.001 0.000 0.266 130 Y C 1.103 176.646 175.900 -0.595 0.000 1.180 130 Y CA -1.766 55.623 58.100 -1.185 0.000 1.244 130 Y CB -0.964 37.130 38.460 -0.610 0.000 1.125 130 Y HN 0.236 nan 8.280 nan 0.000 0.524 131 N N 1.501 120.098 118.700 -0.172 0.000 2.429 131 N HA -0.037 4.703 4.740 -0.001 0.000 0.271 131 N C 1.353 176.637 175.510 -0.377 0.000 1.272 131 N CA 0.644 53.623 53.050 -0.118 0.000 0.921 131 N CB 1.112 39.602 38.487 0.005 0.000 1.128 131 N HN 0.506 nan 8.380 nan 0.000 0.481 132 G N 3.481 111.465 108.800 -1.360 0.000 2.744 132 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.211 132 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.211 132 G C 1.483 175.680 174.900 -1.172 0.000 1.143 132 G CA 0.495 44.827 45.100 -1.280 0.000 0.788 132 G HN 0.741 nan 8.290 nan 0.000 0.534 133 K N -0.300 119.264 120.400 -1.394 0.000 2.063 133 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 133 K C 1.877 178.223 176.600 -0.424 0.000 1.048 133 K CA 1.295 57.128 56.287 -0.757 0.000 0.928 133 K CB -0.633 31.518 32.500 -0.582 0.000 0.713 133 K HN 0.295 nan 8.250 nan 0.000 0.442 134 Y N 1.325 121.535 120.300 -0.150 0.000 2.128 134 Y HA -0.192 4.358 4.550 -0.001 0.000 0.284 134 Y C 2.446 178.328 175.900 -0.031 0.000 1.154 134 Y CA 1.067 59.141 58.100 -0.044 0.000 1.149 134 Y CB -0.778 37.633 38.460 -0.081 0.000 0.976 134 Y HN 0.068 nan 8.280 nan 0.000 0.505 135 L N 0.164 121.393 121.223 0.009 0.000 2.027 135 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 135 L C 2.402 179.261 176.870 -0.018 0.000 1.074 135 L CA 1.914 56.716 54.840 -0.064 0.000 0.745 135 L CB -1.356 40.570 42.059 -0.221 0.000 0.898 135 L HN 0.142 nan 8.230 nan 0.000 0.433 136 A N -1.179 121.639 122.820 -0.004 0.000 1.892 136 A HA -0.328 3.991 4.320 -0.001 0.000 0.218 136 A C 2.335 179.992 177.584 0.122 0.000 1.188 136 A CA 2.186 54.279 52.037 0.094 0.000 0.631 136 A CB -1.332 17.782 19.000 0.190 0.000 0.822 136 A HN 0.641 nan 8.150 nan 0.000 0.447 137 Y N 1.200 121.504 120.300 0.007 0.000 2.089 137 Y HA -0.181 4.369 4.550 -0.001 0.000 0.282 137 Y C 2.712 178.625 175.900 0.023 0.000 1.139 137 Y CA 2.412 60.525 58.100 0.021 0.000 1.123 137 Y CB -0.905 37.550 38.460 -0.008 0.000 0.980 137 Y HN 0.308 nan 8.280 nan 0.000 0.493 138 T N 0.430 114.891 114.554 -0.156 0.000 2.746 138 T HA -0.132 4.218 4.350 -0.001 0.000 0.267 138 T C 1.332 175.931 174.700 -0.167 0.000 1.039 138 T CA 1.723 63.679 62.100 -0.239 0.000 1.142 138 T CB -0.127 68.708 68.868 -0.055 0.000 0.866 138 T HN 0.336 nan 8.240 nan 0.000 0.444 139 E N 0.281 120.440 120.200 -0.069 0.000 2.481 139 E HA 0.151 4.500 4.350 -0.001 0.000 0.198 139 E C 0.276 176.873 176.600 -0.006 0.000 1.027 139 E CA 0.018 56.415 56.400 -0.005 0.000 0.900 139 E CB 0.242 29.964 29.700 0.036 0.000 0.993 139 E HN 0.504 nan 8.360 nan 0.000 0.482 140 E N 0.125 120.308 120.200 -0.030 0.000 2.340 140 E HA -0.163 4.187 4.350 -0.001 0.000 0.240 140 E C -0.649 175.979 176.600 0.047 0.000 1.154 140 E CA 0.463 56.867 56.400 0.008 0.000 0.717 140 E CB -1.381 28.317 29.700 -0.002 0.000 1.250 140 E HN 0.150 nan 8.360 nan 0.000 0.386 141 V N -2.988 116.963 119.914 0.062 0.000 2.815 141 V HA 0.742 4.862 4.120 -0.001 0.000 0.314 141 V C 0.485 176.658 176.094 0.132 0.000 1.064 141 V CA -0.933 61.412 62.300 0.076 0.000 0.952 141 V CB 2.223 34.071 31.823 0.042 0.000 1.020 141 V HN -0.039 nan 8.190 nan 0.000 0.439 142 V N 4.579 124.579 119.914 0.143 0.000 2.405 142 V HA 0.298 4.418 4.120 -0.001 0.000 0.264 142 V C 0.100 176.325 176.094 0.218 0.000 1.048 142 V CA 0.025 62.442 62.300 0.195 0.000 0.966 142 V CB 0.781 32.706 31.823 0.170 0.000 1.015 142 V HN 0.796 nan 8.190 nan 0.000 0.477 143 L N 7.009 128.416 121.223 0.307 0.000 2.264 143 L HA 0.595 4.935 4.340 -0.001 0.000 0.289 143 L C -0.545 176.622 176.870 0.494 0.000 1.044 143 L CA -0.144 54.924 54.840 0.379 0.000 0.807 143 L CB 1.379 43.650 42.059 0.355 0.000 1.192 143 L HN 0.399 nan 8.230 nan 0.000 0.425 144 V N 3.585 123.758 119.914 0.431 0.000 2.513 144 V HA 0.532 4.652 4.120 -0.001 0.000 0.299 144 V C -0.186 176.187 176.094 0.466 0.000 1.035 144 V CA -0.495 62.032 62.300 0.378 0.000 0.889 144 V CB 1.937 33.894 31.823 0.224 0.000 0.988 144 V HN 0.863 nan 8.190 nan 0.000 0.440 145 S N 5.145 121.124 115.700 0.464 0.000 2.519 145 S HA 0.825 5.295 4.470 -0.001 0.000 0.309 145 S C -0.708 174.066 174.600 0.290 0.000 1.100 145 S CA -0.789 57.696 58.200 0.475 0.000 1.059 145 S CB 1.567 65.154 63.200 0.646 0.000 1.008 145 S HN 0.637 nan 8.310 nan 0.000 0.478 146 L N 0.907 122.234 121.223 0.173 0.000 2.578 146 L HA 0.999 5.338 4.340 -0.001 0.000 0.259 146 L C 0.161 177.153 176.870 0.203 0.000 1.082 146 L CA -0.672 54.223 54.840 0.092 0.000 0.843 146 L CB 0.018 42.006 42.059 -0.118 0.000 1.535 146 L HN 0.889 nan 8.230 nan 0.000 0.510 147 S N -1.932 113.936 115.700 0.279 0.000 2.638 147 S HA 0.888 5.358 4.470 -0.001 0.000 0.274 147 S C -1.330 173.502 174.600 0.387 0.000 1.157 147 S CA -0.471 57.932 58.200 0.339 0.000 0.826 147 S CB 1.517 64.973 63.200 0.427 0.000 1.139 147 S HN 1.267 nan 8.310 nan 0.000 0.474 148 Y N -1.876 118.527 120.300 0.171 0.000 2.604 148 Y HA 0.672 5.222 4.550 -0.001 0.000 0.331 148 Y C -0.844 175.177 175.900 0.202 0.000 1.158 148 Y CA -1.378 56.819 58.100 0.162 0.000 1.056 148 Y CB 0.631 39.138 38.460 0.079 0.000 1.330 148 Y HN 0.789 nan 8.280 nan 0.000 0.457 149 R N 1.871 122.500 120.500 0.215 0.000 2.537 149 R HA 0.505 4.845 4.340 -0.001 0.000 0.280 149 R C -0.128 176.325 176.300 0.254 0.000 1.058 149 R CA -0.048 56.135 56.100 0.138 0.000 1.057 149 R CB 0.783 31.132 30.300 0.081 0.000 0.973 149 R HN 0.687 nan 8.270 nan 0.000 0.438 150 V N 0.142 120.233 119.914 0.295 0.000 3.204 150 V HA 0.881 5.001 4.120 -0.001 0.000 0.316 150 V C 0.781 177.210 176.094 0.559 0.000 1.160 150 V CA -0.162 62.446 62.300 0.513 0.000 1.044 150 V CB 1.110 33.135 31.823 0.338 0.000 1.136 150 V HN 0.970 nan 8.190 nan 0.000 0.455 151 G N 0.268 109.445 108.800 0.628 0.000 2.598 151 G HA2 0.016 3.976 3.960 -0.001 0.000 0.269 151 G HA3 0.016 3.976 3.960 -0.001 0.000 0.269 151 G C 1.018 176.094 174.900 0.294 0.000 1.289 151 G CA 1.024 46.433 45.100 0.515 0.000 0.926 151 G HN 2.203 nan 8.290 nan 0.000 0.567 152 A N -1.280 121.391 122.820 -0.249 0.000 1.940 152 A HA 0.154 4.473 4.320 -0.001 0.000 0.219 152 A C 2.255 179.648 177.584 -0.320 0.000 1.176 152 A CA 2.648 54.173 52.037 -0.854 0.000 0.631 152 A CB -0.565 17.711 19.000 -1.207 0.000 0.814 152 A HN 1.020 nan 8.150 nan 0.000 0.446 153 F N 0.102 120.063 119.950 0.017 0.000 2.202 153 F HA -0.064 4.463 4.527 -0.001 0.000 0.301 153 F C 2.465 178.236 175.800 -0.049 0.000 1.082 153 F CA 1.134 59.108 58.000 -0.042 0.000 1.313 153 F CB -0.700 38.244 39.000 -0.094 0.000 1.024 153 F HN 0.290 nan 8.300 nan 0.000 0.495 154 G N -2.226 106.625 108.800 0.085 0.000 2.796 154 G HA2 0.051 4.011 3.960 -0.001 0.000 0.210 154 G HA3 0.051 4.011 3.960 -0.001 0.000 0.210 154 G C 0.754 175.077 174.900 -0.962 0.000 1.146 154 G CA 0.142 45.006 45.100 -0.393 0.000 0.779 154 G HN 0.351 nan 8.290 nan 0.000 0.535 155 F N -0.619 119.419 119.950 0.147 0.000 2.880 155 F HA 0.420 4.947 4.527 -0.001 0.000 0.328 155 F C 0.277 176.141 175.800 0.108 0.000 1.146 155 F CA -1.075 56.997 58.000 0.120 0.000 1.135 155 F CB 0.307 39.399 39.000 0.154 0.000 1.151 155 F HN -0.102 nan 8.300 nan 0.000 0.523 156 L N 2.330 123.561 121.223 0.013 0.000 2.559 156 L HA 0.444 4.784 4.340 -0.001 0.000 0.274 156 L C 0.181 177.033 176.870 -0.030 0.000 1.205 156 L CA 0.278 55.037 54.840 -0.135 0.000 0.907 156 L CB 0.314 42.013 42.059 -0.601 0.000 1.153 156 L HN 0.175 nan 8.230 nan 0.000 0.490 157 A N 6.973 129.826 122.820 0.055 0.000 2.340 157 A HA 0.614 4.933 4.320 -0.001 0.000 0.297 157 A C -0.815 176.786 177.584 0.027 0.000 1.195 157 A CA -0.485 51.581 52.037 0.049 0.000 0.769 157 A CB 0.610 19.669 19.000 0.099 0.000 1.163 157 A HN 0.705 nan 8.150 nan 0.000 0.472 158 L N 3.583 124.808 121.223 0.004 0.000 2.506 158 L HA 0.236 4.576 4.340 -0.001 0.000 0.247 158 L C 0.010 176.910 176.870 0.051 0.000 1.141 158 L CA -0.753 54.091 54.840 0.006 0.000 0.973 158 L CB 0.321 42.349 42.059 -0.052 0.000 1.319 158 L HN 0.891 nan 8.230 nan 0.000 0.455 159 H N 1.788 120.856 119.070 -0.003 0.000 3.094 159 H HA 0.248 4.804 4.556 -0.001 0.000 0.320 159 H C 1.149 176.481 175.328 0.006 0.000 1.000 159 H CA 1.507 57.560 56.048 0.009 0.000 1.413 159 H CB 0.782 30.554 29.762 0.016 0.000 1.405 159 H HN 0.694 nan 8.280 nan 0.000 0.586 160 G N 2.731 111.229 108.800 -0.502 0.000 2.259 160 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 160 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 160 G C 0.397 175.200 174.900 -0.162 0.000 1.001 160 G CA 0.200 45.092 45.100 -0.346 0.000 0.627 160 G HN 0.907 nan 8.290 nan 0.000 0.501 161 S N -0.114 115.524 115.700 -0.104 0.000 2.585 161 S HA 0.624 5.094 4.470 -0.001 0.000 0.277 161 S C 1.003 175.581 174.600 -0.037 0.000 1.241 161 S CA 0.039 58.208 58.200 -0.052 0.000 1.041 161 S CB 1.585 64.765 63.200 -0.034 0.000 0.987 161 S HN 0.165 nan 8.310 nan 0.000 0.512 162 Q N 1.445 121.236 119.800 -0.016 0.000 2.319 162 Q HA 0.201 4.541 4.340 -0.001 0.000 0.209 162 Q C 1.035 177.049 176.000 0.023 0.000 0.884 162 Q CA 0.318 56.123 55.803 0.002 0.000 0.938 162 Q CB 0.233 28.974 28.738 0.003 0.000 1.098 162 Q HN 0.703 nan 8.270 nan 0.000 0.517 163 E N 0.333 120.549 120.200 0.026 0.000 2.230 163 E HA 0.084 4.433 4.350 -0.001 0.000 0.192 163 E C 0.141 176.787 176.600 0.077 0.000 0.987 163 E CA 0.486 56.919 56.400 0.056 0.000 0.841 163 E CB 0.548 30.284 29.700 0.061 0.000 0.783 163 E HN 0.111 nan 8.360 nan 0.000 0.481 164 A N 1.605 124.442 122.820 0.028 0.000 3.300 164 A HA 0.286 4.605 4.320 -0.001 0.000 0.300 164 A C -2.108 175.474 177.584 -0.005 0.000 1.099 164 A CA -0.862 51.175 52.037 0.001 0.000 0.846 164 A CB 0.674 19.567 19.000 -0.179 0.000 1.255 164 A HN -0.121 nan 8.150 nan 0.000 0.519 165 P HA 0.153 nan 4.420 nan 0.000 0.229 165 P C 0.895 178.250 177.300 0.091 0.000 1.160 165 P CA 1.742 64.878 63.100 0.059 0.000 0.777 165 P CB 0.232 31.969 31.700 0.061 0.000 0.814 166 G N 0.651 109.487 108.800 0.060 0.000 2.663 166 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.686 166 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.686 166 G C -0.148 174.778 174.900 0.043 0.000 1.288 166 G CA -0.299 44.846 45.100 0.074 0.000 0.836 166 G HN 0.115 nan 8.290 nan 0.000 0.584 167 N N -2.404 116.327 118.700 0.053 0.000 2.753 167 N HA -0.279 4.461 4.740 -0.001 0.000 0.251 167 N C 1.883 177.287 175.510 -0.177 0.000 1.097 167 N CA 2.464 55.488 53.050 -0.043 0.000 0.786 167 N CB -1.651 36.744 38.487 -0.153 0.000 1.137 167 N HN 1.921 nan 8.380 nan 0.000 0.566 168 V N -2.871 116.915 119.914 -0.212 0.000 2.626 168 V HA 0.037 4.157 4.120 -0.001 0.000 0.252 168 V C 2.278 178.268 176.094 -0.173 0.000 1.067 168 V CA 2.213 64.429 62.300 -0.140 0.000 1.081 168 V CB -0.810 30.974 31.823 -0.066 0.000 0.686 168 V HN 0.270 nan 8.190 nan 0.000 0.468 169 G N 0.405 108.921 108.800 -0.473 0.000 2.408 169 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.217 169 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.217 169 G C 1.538 176.453 174.900 0.025 0.000 1.150 169 G CA 1.093 46.059 45.100 -0.222 0.000 0.776 169 G HN 0.530 nan 8.290 nan 0.000 0.542 170 L N -0.156 121.041 121.223 -0.043 0.000 2.109 170 L HA 0.086 4.425 4.340 -0.001 0.000 0.207 170 L C 2.838 179.767 176.870 0.098 0.000 1.086 170 L CA 0.385 55.160 54.840 -0.109 0.000 0.760 170 L CB -0.281 41.351 42.059 -0.712 0.000 0.910 170 L HN 0.176 nan 8.230 nan 0.000 0.437 171 L N -0.561 120.712 121.223 0.083 0.000 2.093 171 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 171 L C 2.195 179.172 176.870 0.178 0.000 1.085 171 L CA 0.911 55.862 54.840 0.185 0.000 0.755 171 L CB -0.640 41.500 42.059 0.135 0.000 0.904 171 L HN 0.283 nan 8.230 nan 0.000 0.435 172 D N 0.046 120.547 120.400 0.168 0.000 2.104 172 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 172 D C 2.293 178.713 176.300 0.200 0.000 0.994 172 D CA 1.280 55.447 54.000 0.277 0.000 0.830 172 D CB -0.204 40.786 40.800 0.316 0.000 0.959 172 D HN 0.413 nan 8.370 nan 0.000 0.452 173 Q N 0.026 119.894 119.800 0.113 0.000 2.084 173 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 173 Q C 2.299 178.245 176.000 -0.090 0.000 0.978 173 Q CA 0.936 56.718 55.803 -0.035 0.000 0.844 173 Q CB -0.079 28.650 28.738 -0.015 0.000 0.898 173 Q HN 0.217 nan 8.270 nan 0.000 0.426 174 R N 0.688 121.240 120.500 0.087 0.000 2.081 174 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 174 R C 2.210 178.519 176.300 0.014 0.000 1.131 174 R CA 1.475 57.608 56.100 0.054 0.000 0.960 174 R CB -0.156 30.271 30.300 0.212 0.000 0.856 174 R HN 0.249 nan 8.270 nan 0.000 0.436 175 M N 0.145 119.785 119.600 0.067 0.000 2.117 175 M HA -0.137 4.343 4.480 -0.001 0.000 0.262 175 M C 2.146 178.420 176.300 -0.044 0.000 1.065 175 M CA 2.120 57.490 55.300 0.117 0.000 1.114 175 M CB -0.076 32.708 32.600 0.307 0.000 1.361 175 M HN 0.314 nan 8.290 nan 0.000 0.408 176 A N 0.153 122.661 122.820 -0.519 0.000 1.902 176 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 176 A C 2.031 179.486 177.584 -0.216 0.000 1.181 176 A CA 1.523 53.051 52.037 -0.847 0.000 0.623 176 A CB -1.088 17.119 19.000 -1.323 0.000 0.818 176 A HN 0.578 nan 8.150 nan 0.000 0.443 177 L N -1.032 120.094 121.223 -0.163 0.000 2.131 177 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 177 L C 2.847 179.762 176.870 0.075 0.000 1.092 177 L CA 1.759 56.575 54.840 -0.040 0.000 0.759 177 L CB -0.484 41.516 42.059 -0.098 0.000 0.903 177 L HN 0.511 nan 8.230 nan 0.000 0.435 178 Q N -0.381 119.463 119.800 0.074 0.000 2.079 178 Q HA -0.245 4.095 4.340 -0.001 0.000 0.200 178 Q C 2.019 178.135 176.000 0.195 0.000 0.974 178 Q CA 1.809 57.680 55.803 0.114 0.000 0.840 178 Q CB -0.432 28.365 28.738 0.098 0.000 0.898 178 Q HN 0.465 nan 8.270 nan 0.000 0.430 179 W N -0.695 120.626 121.300 0.035 0.000 2.358 179 W HA -0.166 4.493 4.660 -0.001 0.000 0.303 179 W C 1.815 178.377 176.519 0.072 0.000 1.208 179 W CA 1.600 58.988 57.345 0.072 0.000 1.274 179 W CB -0.133 29.374 29.460 0.079 0.000 1.138 179 W HN 0.010 nan 8.180 nan 0.000 0.515 180 V N -0.027 120.110 119.914 0.371 0.000 2.295 180 V HA -0.388 3.732 4.120 -0.001 0.000 0.246 180 V C 2.541 178.681 176.094 0.078 0.000 1.049 180 V CA 2.357 64.802 62.300 0.241 0.000 1.024 180 V CB -1.311 30.627 31.823 0.191 0.000 0.648 180 V HN 0.346 nan 8.190 nan 0.000 0.447 181 H N 0.336 119.413 119.070 0.011 0.000 2.319 181 H HA -0.188 4.367 4.556 -0.001 0.000 0.299 181 H C 1.935 177.200 175.328 -0.106 0.000 1.092 181 H CA 2.140 58.169 56.048 -0.033 0.000 1.302 181 H CB 0.004 29.761 29.762 -0.009 0.000 1.373 181 H HN 0.436 nan 8.280 nan 0.000 0.497 182 D N -0.375 119.982 120.400 -0.072 0.000 2.289 182 D HA -0.042 4.598 4.640 -0.001 0.000 0.207 182 D C 1.226 177.333 176.300 -0.322 0.000 0.966 182 D CA 0.529 54.420 54.000 -0.182 0.000 0.868 182 D CB 0.047 40.778 40.800 -0.115 0.000 0.943 182 D HN 0.475 nan 8.370 nan 0.000 0.514 183 N N -0.210 118.234 118.700 -0.427 0.000 2.168 183 N HA 0.027 4.767 4.740 -0.001 0.000 0.216 183 N C 1.456 176.857 175.510 -0.182 0.000 1.259 183 N CA -0.180 52.625 53.050 -0.409 0.000 0.902 183 N CB 1.027 38.949 38.487 -0.941 0.000 1.079 183 N HN -0.000 nan 8.380 nan 0.000 0.507 184 I N 3.238 123.745 120.570 -0.105 0.000 2.530 184 I HA -0.257 3.913 4.170 -0.001 0.000 0.257 184 I C 2.574 178.697 176.117 0.009 0.000 1.179 184 I CA 1.342 62.698 61.300 0.094 0.000 1.440 184 I CB -0.209 37.821 38.000 0.050 0.000 1.087 184 I HN 0.207 nan 8.210 nan 0.000 0.440 185 Q N -0.834 118.778 119.800 -0.314 0.000 2.170 185 Q HA -0.240 4.100 4.340 -0.001 0.000 0.203 185 Q C 1.874 177.646 176.000 -0.381 0.000 0.976 185 Q CA 1.675 57.239 55.803 -0.399 0.000 0.858 185 Q CB -0.868 27.507 28.738 -0.604 0.000 0.907 185 Q HN 0.398 nan 8.270 nan 0.000 0.433 186 F N -0.114 119.779 119.950 -0.096 0.000 2.604 186 F HA 0.077 4.604 4.527 -0.001 0.000 0.298 186 F C 0.949 176.501 175.800 -0.413 0.000 1.131 186 F CA 0.266 58.097 58.000 -0.282 0.000 1.457 186 F CB -0.166 38.572 39.000 -0.437 0.000 1.095 186 F HN 0.010 nan 8.300 nan 0.000 0.574 187 F N -0.711 119.241 119.950 0.003 0.000 2.664 187 F HA 0.422 4.949 4.527 -0.001 0.000 0.303 187 F C 1.769 177.581 175.800 0.020 0.000 1.092 187 F CA 0.288 58.273 58.000 -0.026 0.000 1.305 187 F CB -0.003 38.956 39.000 -0.070 0.000 1.054 187 F HN 0.020 nan 8.300 nan 0.000 0.565 188 G N 0.384 109.261 108.800 0.129 0.000 2.141 188 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.242 188 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.242 188 G C 0.565 175.512 174.900 0.077 0.000 0.982 188 G CA -0.227 44.926 45.100 0.088 0.000 0.662 188 G HN 0.721 nan 8.290 nan 0.000 0.527 189 G N -0.480 108.370 108.800 0.084 0.000 2.425 189 G HA2 0.500 4.459 3.960 -0.001 0.000 0.302 189 G HA3 0.500 4.459 3.960 -0.001 0.000 0.302 189 G C -0.685 174.207 174.900 -0.013 0.000 1.159 189 G CA 0.252 45.385 45.100 0.055 0.000 0.865 189 G HN 0.277 nan 8.290 nan 0.000 0.515 190 D N 1.800 122.191 120.400 -0.016 0.000 2.411 190 D HA 0.249 4.889 4.640 -0.001 0.000 0.225 190 D C -1.006 175.260 176.300 -0.057 0.000 1.156 190 D CA -2.431 51.540 54.000 -0.049 0.000 0.874 190 D CB 1.713 42.493 40.800 -0.033 0.000 1.034 190 D HN 0.081 nan 8.370 nan 0.000 0.502 191 P HA -0.118 nan 4.420 nan 0.000 0.231 191 P C 0.578 177.835 177.300 -0.072 0.000 1.158 191 P CA 0.567 63.589 63.100 -0.130 0.000 0.763 191 P CB 0.372 31.882 31.700 -0.316 0.000 0.805 192 K N -0.693 119.670 120.400 -0.061 0.000 2.374 192 K HA 0.155 4.474 4.320 -0.001 0.000 0.196 192 K C 0.391 176.983 176.600 -0.013 0.000 1.023 192 K CA 0.462 56.732 56.287 -0.027 0.000 1.103 192 K CB 0.030 32.505 32.500 -0.041 0.000 0.848 192 K HN 0.085 nan 8.250 nan 0.000 0.528 193 T N 0.981 115.530 114.554 -0.009 0.000 3.630 193 T HA 0.146 4.495 4.350 -0.001 0.000 0.238 193 T C -0.614 174.098 174.700 0.020 0.000 1.195 193 T CA -0.419 61.676 62.100 -0.009 0.000 1.433 193 T CB 0.593 69.443 68.868 -0.029 0.000 0.940 193 T HN -0.078 nan 8.240 nan 0.000 0.641 194 V N 0.848 120.802 119.914 0.067 0.000 2.398 194 V HA 0.713 4.833 4.120 -0.001 0.000 0.286 194 V C -0.400 175.790 176.094 0.159 0.000 1.026 194 V CA -0.075 62.292 62.300 0.112 0.000 0.868 194 V CB 1.531 33.441 31.823 0.144 0.000 0.982 194 V HN 0.412 nan 8.190 nan 0.000 0.443 195 T N 8.685 123.317 114.554 0.130 0.000 2.767 195 T HA 0.537 4.886 4.350 -0.001 0.000 0.284 195 T C 0.028 174.849 174.700 0.202 0.000 0.973 195 T CA -0.124 62.072 62.100 0.160 0.000 0.996 195 T CB 0.696 69.617 68.868 0.088 0.000 0.927 195 T HN 0.869 nan 8.240 nan 0.000 0.456 196 I N 1.948 122.607 120.570 0.149 0.000 2.365 196 I HA 0.803 4.972 4.170 -0.001 0.000 0.291 196 I C -0.777 175.501 176.117 0.269 0.000 1.004 196 I CA -0.899 60.464 61.300 0.104 0.000 1.311 196 I CB 0.634 38.466 38.000 -0.279 0.000 1.401 196 I HN 0.447 nan 8.210 nan 0.000 0.491 197 F N 3.429 123.420 119.950 0.068 0.000 2.588 197 F HA 1.012 5.539 4.527 -0.001 0.000 0.310 197 F C -0.383 175.432 175.800 0.025 0.000 1.082 197 F CA -1.523 56.562 58.000 0.142 0.000 0.929 197 F CB 1.356 40.559 39.000 0.338 0.000 1.254 197 F HN 0.806 nan 8.300 nan 0.000 0.455 198 G N 1.141 109.852 108.800 -0.149 0.000 2.646 198 G HA2 0.483 4.443 3.960 -0.001 0.000 0.291 198 G HA3 0.483 4.443 3.960 -0.001 0.000 0.291 198 G C -2.501 172.209 174.900 -0.317 0.000 1.445 198 G CA -0.806 43.849 45.100 -0.743 0.000 0.814 198 G HN 0.849 nan 8.290 nan 0.000 0.495 199 E N 0.548 120.508 120.200 -0.401 0.000 2.199 199 E HA 0.612 4.961 4.350 -0.001 0.000 0.269 199 E C 0.684 177.230 176.600 -0.090 0.000 0.899 199 E CA 0.306 56.693 56.400 -0.021 0.000 0.772 199 E CB 2.002 31.858 29.700 0.260 0.000 1.155 199 E HN 0.826 nan 8.360 nan 0.000 0.408 200 S N 3.154 118.858 115.700 0.007 0.000 4.114 200 S HA -0.397 4.072 4.470 -0.001 0.000 0.618 200 S C 1.482 176.163 174.600 0.134 0.000 1.937 200 S CA 2.073 60.353 58.200 0.134 0.000 4.228 200 S CB -1.607 61.601 63.200 0.013 0.000 0.216 200 S HN 0.961 nan 8.310 nan 0.000 0.528 201 A N 1.076 123.880 122.820 -0.027 0.000 2.024 201 A HA 0.112 4.432 4.320 -0.001 0.000 0.220 201 A C 2.458 179.769 177.584 -0.455 0.000 1.164 201 A CA 2.541 54.323 52.037 -0.425 0.000 0.643 201 A CB -1.562 16.794 19.000 -1.073 0.000 0.806 201 A HN 1.597 nan 8.150 nan 0.000 0.451 202 G N -0.772 107.829 108.800 -0.332 0.000 2.403 202 G HA2 0.093 4.053 3.960 -0.001 0.000 0.216 202 G HA3 0.093 4.053 3.960 -0.001 0.000 0.216 202 G C 1.462 176.180 174.900 -0.303 0.000 1.154 202 G CA 1.116 45.976 45.100 -0.399 0.000 0.784 202 G HN 0.664 nan 8.290 nan 0.000 0.538 203 G N 0.899 109.581 108.800 -0.196 0.000 2.403 203 G HA2 0.142 4.102 3.960 -0.001 0.000 0.216 203 G HA3 0.142 4.102 3.960 -0.001 0.000 0.216 203 G C 1.995 176.800 174.900 -0.158 0.000 1.154 203 G CA 1.345 46.365 45.100 -0.133 0.000 0.784 203 G HN 0.580 nan 8.290 nan 0.000 0.538 204 A N 0.840 123.586 122.820 -0.123 0.000 1.930 204 A HA 0.054 4.374 4.320 -0.001 0.000 0.217 204 A C 2.678 180.212 177.584 -0.084 0.000 1.175 204 A CA 2.129 54.073 52.037 -0.155 0.000 0.627 204 A CB -0.544 18.374 19.000 -0.136 0.000 0.815 204 A HN 0.286 nan 8.150 nan 0.000 0.443 205 S N -0.364 115.308 115.700 -0.046 0.000 2.356 205 S HA -0.148 4.322 4.470 -0.001 0.000 0.223 205 S C 1.918 176.492 174.600 -0.042 0.000 1.032 205 S CA 1.442 59.615 58.200 -0.044 0.000 1.005 205 S CB -0.539 62.583 63.200 -0.129 0.000 0.867 205 S HN 0.343 nan 8.310 nan 0.000 0.449 206 V N 1.656 121.521 119.914 -0.081 0.000 2.282 206 V HA -0.222 3.897 4.120 -0.001 0.000 0.249 206 V C 2.582 178.632 176.094 -0.073 0.000 1.057 206 V CA 2.081 64.326 62.300 -0.091 0.000 1.032 206 V CB -1.451 30.291 31.823 -0.136 0.000 0.645 206 V HN 0.616 nan 8.190 nan 0.000 0.447 207 G N -1.361 107.342 108.800 -0.162 0.000 2.443 207 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 207 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 207 G C 1.593 176.498 174.900 0.009 0.000 1.131 207 G CA 0.887 45.863 45.100 -0.206 0.000 0.775 207 G HN 0.454 nan 8.290 nan 0.000 0.547 208 M N -0.263 119.362 119.600 0.041 0.000 2.254 208 M HA 0.034 4.514 4.480 -0.001 0.000 0.265 208 M C 2.206 178.625 176.300 0.199 0.000 1.066 208 M CA 0.841 56.291 55.300 0.250 0.000 1.123 208 M CB -0.165 32.585 32.600 0.250 0.000 1.388 208 M HN 0.191 nan 8.290 nan 0.000 0.425 209 H N -0.416 118.773 119.070 0.200 0.000 2.502 209 H HA 0.071 4.627 4.556 -0.001 0.000 0.283 209 H C 2.044 177.572 175.328 0.332 0.000 1.015 209 H CA 1.122 57.278 56.048 0.179 0.000 1.298 209 H CB -0.013 29.742 29.762 -0.012 0.000 1.411 209 H HN 0.417 nan 8.280 nan 0.000 0.556 210 I N 0.305 121.134 120.570 0.431 0.000 2.353 210 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 210 I C 2.072 178.433 176.117 0.407 0.000 1.119 210 I CA 0.735 62.349 61.300 0.525 0.000 1.417 210 I CB 0.037 38.293 38.000 0.427 0.000 1.078 210 I HN 0.107 nan 8.210 nan 0.000 0.421 211 L N -0.493 120.930 121.223 0.334 0.000 2.068 211 L HA -0.041 4.299 4.340 -0.001 0.000 0.204 211 L C 1.552 178.524 176.870 0.170 0.000 1.076 211 L CA 0.402 55.433 54.840 0.318 0.000 0.753 211 L CB -0.289 41.988 42.059 0.364 0.000 0.910 211 L HN 0.051 nan 8.230 nan 0.000 0.439 212 S N 0.303 116.006 115.700 0.006 0.000 2.466 212 S HA 0.070 4.539 4.470 -0.001 0.000 0.286 212 S C -1.466 172.999 174.600 -0.226 0.000 1.221 212 S CA -1.306 56.693 58.200 -0.335 0.000 1.091 212 S CB 0.664 63.185 63.200 -1.132 0.000 0.956 212 S HN -0.064 nan 8.310 nan 0.000 0.501 213 P HA -0.108 nan 4.420 nan 0.000 0.216 213 P C 1.397 178.611 177.300 -0.143 0.000 1.154 213 P CA 1.415 64.443 63.100 -0.120 0.000 0.865 213 P CB -0.132 31.505 31.700 -0.106 0.000 0.789 214 G N -1.812 106.854 108.800 -0.225 0.000 2.679 214 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.212 214 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.212 214 G C 1.329 176.152 174.900 -0.128 0.000 1.137 214 G CA 0.532 45.523 45.100 -0.183 0.000 0.787 214 G HN 0.244 nan 8.290 nan 0.000 0.534 215 S N -0.574 115.069 115.700 -0.095 0.000 2.539 215 S HA 0.117 4.587 4.470 -0.001 0.000 0.226 215 S C 2.192 176.885 174.600 0.155 0.000 1.054 215 S CA -0.434 57.822 58.200 0.093 0.000 0.910 215 S CB 0.240 63.628 63.200 0.313 0.000 0.818 215 S HN 0.346 nan 8.310 nan 0.000 0.490 216 R N 2.015 122.543 120.500 0.047 0.000 2.113 216 R HA -0.148 4.192 4.340 -0.001 0.000 0.244 216 R C 1.032 177.126 176.300 -0.343 0.000 1.142 216 R CA 1.850 57.867 56.100 -0.138 0.000 0.953 216 R CB -0.544 29.696 30.300 -0.101 0.000 0.860 216 R HN 0.302 nan 8.270 nan 0.000 0.438 217 D N 0.536 120.815 120.400 -0.202 0.000 2.312 217 D HA -0.062 4.577 4.640 -0.001 0.000 0.211 217 D C 1.529 177.700 176.300 -0.215 0.000 0.964 217 D CA 0.808 54.682 54.000 -0.210 0.000 0.877 217 D CB -0.022 40.678 40.800 -0.167 0.000 0.924 217 D HN 0.260 nan 8.370 nan 0.000 0.515 218 L N -0.201 120.939 121.223 -0.138 0.000 2.599 218 L HA 0.127 4.467 4.340 -0.001 0.000 0.230 218 L C 0.022 177.015 176.870 0.205 0.000 1.141 218 L CA -0.024 54.804 54.840 -0.021 0.000 0.877 218 L CB -0.515 41.570 42.059 0.044 0.000 1.009 218 L HN -0.036 nan 8.230 nan 0.000 0.447 219 F N -4.137 115.825 119.950 0.020 0.000 2.741 219 F HA 0.550 5.076 4.527 -0.001 0.000 0.313 219 F C 0.382 176.211 175.800 0.048 0.000 1.153 219 F CA -1.364 56.663 58.000 0.045 0.000 0.931 219 F CB 1.185 40.206 39.000 0.033 0.000 1.335 219 F HN -0.397 nan 8.300 nan 0.000 0.460 220 R N 0.618 121.205 120.500 0.144 0.000 2.121 220 R HA 0.500 4.840 4.340 -0.001 0.000 0.206 220 R C -0.102 176.264 176.300 0.109 0.000 1.094 220 R CA 0.859 56.975 56.100 0.026 0.000 1.055 220 R CB 0.366 30.680 30.300 0.024 0.000 0.964 220 R HN 0.777 nan 8.270 nan 0.000 0.473 221 R N -1.319 119.346 120.500 0.275 0.000 2.817 221 R HA 0.744 5.083 4.340 -0.001 0.000 0.268 221 R C -1.600 174.952 176.300 0.420 0.000 1.027 221 R CA -0.688 55.581 56.100 0.280 0.000 0.928 221 R CB 2.252 32.550 30.300 -0.004 0.000 1.228 221 R HN 0.188 nan 8.270 nan 0.000 0.469 222 A N 1.358 124.427 122.820 0.414 0.000 2.515 222 A HA 0.739 5.058 4.320 -0.001 0.000 0.298 222 A C -1.195 176.506 177.584 0.195 0.000 1.059 222 A CA -0.625 51.573 52.037 0.268 0.000 0.698 222 A CB 1.315 20.422 19.000 0.179 0.000 1.289 222 A HN 0.563 nan 8.150 nan 0.000 0.404 223 I N 1.540 122.178 120.570 0.113 0.000 2.466 223 I HA 0.398 4.567 4.170 -0.001 0.000 0.289 223 I C -1.500 174.652 176.117 0.058 0.000 1.026 223 I CA -0.611 60.673 61.300 -0.027 0.000 1.078 223 I CB 1.952 39.907 38.000 -0.075 0.000 1.249 223 I HN 0.430 nan 8.210 nan 0.000 0.429 224 L N 6.485 127.710 121.223 0.004 0.000 2.349 224 L HA 0.459 4.799 4.340 -0.001 0.000 0.278 224 L C -0.514 176.424 176.870 0.113 0.000 0.996 224 L CA -0.264 54.582 54.840 0.010 0.000 0.825 224 L CB 1.627 43.617 42.059 -0.116 0.000 1.243 224 L HN 0.486 nan 8.230 nan 0.000 0.412 225 Q N 1.794 121.713 119.800 0.198 0.000 2.368 225 Q HA 0.477 4.816 4.340 -0.001 0.000 0.263 225 Q C -0.094 176.025 176.000 0.199 0.000 1.009 225 Q CA -0.535 55.462 55.803 0.323 0.000 0.818 225 Q CB 1.525 30.561 28.738 0.496 0.000 1.239 225 Q HN 0.659 nan 8.270 nan 0.000 0.464 226 S N 1.138 116.945 115.700 0.179 0.000 3.631 226 S HA -0.162 4.308 4.470 -0.001 0.000 0.366 226 S C -0.011 174.736 174.600 0.246 0.000 0.993 226 S CA 0.573 58.897 58.200 0.206 0.000 1.167 226 S CB -1.134 62.202 63.200 0.228 0.000 0.909 226 S HN 0.972 nan 8.310 nan 0.000 0.478 227 G N -0.388 108.488 108.800 0.127 0.000 2.556 227 G HA2 0.628 4.588 3.960 -0.001 0.000 0.294 227 G HA3 0.628 4.588 3.960 -0.001 0.000 0.294 227 G C -0.997 173.839 174.900 -0.106 0.000 1.516 227 G CA 0.155 45.323 45.100 0.113 0.000 0.824 227 G HN 1.221 nan 8.290 nan 0.000 0.535 228 S N 0.868 116.436 115.700 -0.221 0.000 2.570 228 S HA 0.790 5.259 4.470 -0.001 0.000 0.270 228 S C -2.129 172.199 174.600 -0.454 0.000 1.149 228 S CA -0.835 57.096 58.200 -0.447 0.000 0.837 228 S CB 2.868 65.784 63.200 -0.474 0.000 1.124 228 S HN 0.462 nan 8.310 nan 0.000 0.465 229 P HA -0.143 nan 4.420 nan 0.000 0.218 229 P C 0.602 177.677 177.300 -0.375 0.000 1.148 229 P CA 1.457 64.338 63.100 -0.365 0.000 0.822 229 P CB -0.364 31.183 31.700 -0.254 0.000 0.784 230 N N -0.842 117.674 118.700 -0.307 0.000 2.370 230 N HA -0.013 4.726 4.740 -0.001 0.000 0.198 230 N C -0.013 175.276 175.510 -0.369 0.000 1.156 230 N CA -0.213 52.679 53.050 -0.263 0.000 0.839 230 N CB -1.416 37.029 38.487 -0.070 0.000 0.989 230 N HN 0.046 nan 8.380 nan 0.000 0.468 231 C N 2.840 121.807 119.300 -0.555 0.000 2.657 231 C HA 0.086 4.546 4.460 -0.001 0.000 0.420 231 C C -0.136 174.415 174.990 -0.732 0.000 1.323 231 C CA -0.923 57.644 59.018 -0.752 0.000 1.894 231 C CB 1.056 28.004 27.740 -1.321 0.000 2.681 231 C HN 0.362 nan 8.230 nan 0.000 0.613 232 P HA -0.122 nan 4.420 nan 0.000 0.221 232 P C 1.109 178.263 177.300 -0.243 0.000 1.145 232 P CA 1.848 64.724 63.100 -0.374 0.000 0.795 232 P CB -0.075 31.413 31.700 -0.353 0.000 0.775 233 W N -1.637 119.573 121.300 -0.150 0.000 3.177 233 W HA 0.596 5.256 4.660 -0.000 0.000 0.309 233 W C 0.987 177.567 176.519 0.101 0.000 1.224 233 W CA 0.335 57.674 57.345 -0.009 0.000 1.718 233 W CB -0.884 28.661 29.460 0.143 0.000 1.078 233 W HN -0.115 nan 8.180 nan 0.000 0.618 234 A N 1.350 123.871 122.820 -0.499 0.000 2.238 234 A HA 0.254 4.574 4.320 -0.001 0.000 0.210 234 A C 0.896 178.229 177.584 -0.417 0.000 1.179 234 A CA 0.926 52.728 52.037 -0.391 0.000 0.827 234 A CB -0.490 18.052 19.000 -0.764 0.000 0.856 234 A HN 0.196 nan 8.150 nan 0.000 0.488 235 S N -1.473 114.012 115.700 -0.358 0.000 2.588 235 S HA 0.670 5.139 4.470 -0.001 0.000 0.269 235 S C -0.780 173.671 174.600 -0.248 0.000 1.157 235 S CA -0.039 57.944 58.200 -0.362 0.000 0.824 235 S CB 1.317 64.236 63.200 -0.469 0.000 1.126 235 S HN 1.293 nan 8.310 nan 0.000 0.464 236 V N -0.862 118.929 119.914 -0.205 0.000 3.160 236 V HA 0.944 5.064 4.120 -0.001 0.000 0.310 236 V C 0.171 176.185 176.094 -0.134 0.000 1.181 236 V CA -0.482 61.728 62.300 -0.150 0.000 1.047 236 V CB 1.074 32.825 31.823 -0.120 0.000 1.068 236 V HN 1.477 nan 8.190 nan 0.000 0.441 237 S N 0.318 115.953 115.700 -0.108 0.000 2.645 237 S HA 0.407 4.877 4.470 -0.001 0.000 0.266 237 S C 1.237 175.787 174.600 -0.083 0.000 1.258 237 S CA 0.015 58.157 58.200 -0.097 0.000 0.990 237 S CB 1.256 64.409 63.200 -0.079 0.000 0.967 237 S HN 2.056 nan 8.310 nan 0.000 0.556 238 V N -1.538 118.318 119.914 -0.097 0.000 2.515 238 V HA 0.056 4.175 4.120 -0.001 0.000 0.250 238 V C 2.513 178.589 176.094 -0.029 0.000 1.058 238 V CA 1.491 63.744 62.300 -0.079 0.000 1.064 238 V CB -2.005 29.704 31.823 -0.190 0.000 0.675 238 V HN 0.981 nan 8.190 nan 0.000 0.461 239 A N 0.810 123.608 122.820 -0.036 0.000 1.873 239 A HA -0.184 4.136 4.320 -0.001 0.000 0.215 239 A C 2.221 179.783 177.584 -0.036 0.000 1.186 239 A CA 1.932 53.955 52.037 -0.023 0.000 0.616 239 A CB -0.652 18.334 19.000 -0.023 0.000 0.823 239 A HN 0.618 nan 8.150 nan 0.000 0.442 240 E N 0.229 120.397 120.200 -0.053 0.000 2.077 240 E HA -0.044 4.305 4.350 -0.001 0.000 0.193 240 E C 1.958 178.514 176.600 -0.073 0.000 0.989 240 E CA 1.609 57.964 56.400 -0.075 0.000 0.800 240 E CB -0.879 28.767 29.700 -0.090 0.000 0.746 240 E HN 0.385 nan 8.360 nan 0.000 0.452 241 G N 0.898 109.668 108.800 -0.049 0.000 2.476 241 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.218 241 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.218 241 G C 1.756 176.661 174.900 0.009 0.000 1.164 241 G CA 1.069 46.162 45.100 -0.012 0.000 0.768 241 G HN 0.369 nan 8.290 nan 0.000 0.560 242 R N 0.264 120.767 120.500 0.005 0.000 2.073 242 R HA -0.030 4.310 4.340 -0.001 0.000 0.234 242 R C 2.567 178.861 176.300 -0.010 0.000 1.134 242 R CA 1.490 57.594 56.100 0.006 0.000 0.952 242 R CB -0.401 29.908 30.300 0.014 0.000 0.850 242 R HN 0.299 nan 8.270 nan 0.000 0.433 243 R N 0.542 121.025 120.500 -0.028 0.000 2.105 243 R HA -0.127 4.213 4.340 -0.001 0.000 0.239 243 R C 2.069 178.337 176.300 -0.053 0.000 1.135 243 R CA 1.697 57.771 56.100 -0.044 0.000 0.967 243 R CB -0.081 30.180 30.300 -0.064 0.000 0.861 243 R HN 0.302 nan 8.270 nan 0.000 0.442 244 R N -0.519 119.942 120.500 -0.065 0.000 2.119 244 R HA 0.031 4.371 4.340 -0.001 0.000 0.222 244 R C 2.288 178.619 176.300 0.051 0.000 1.088 244 R CA 1.019 57.064 56.100 -0.092 0.000 0.984 244 R CB -0.130 30.020 30.300 -0.251 0.000 0.884 244 R HN 0.210 nan 8.270 nan 0.000 0.447 245 A N 0.622 123.503 122.820 0.101 0.000 1.898 245 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 245 A C 2.268 179.863 177.584 0.018 0.000 1.181 245 A CA 1.193 53.289 52.037 0.097 0.000 0.620 245 A CB -0.467 18.530 19.000 -0.005 0.000 0.819 245 A HN 0.094 nan 8.150 nan 0.000 0.442 246 V N 0.079 119.993 119.914 -0.001 0.000 2.343 246 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 246 V C 2.579 178.672 176.094 -0.002 0.000 1.051 246 V CA 2.381 64.675 62.300 -0.011 0.000 1.036 246 V CB -0.681 31.133 31.823 -0.014 0.000 0.654 246 V HN 0.697 nan 8.190 nan 0.000 0.451 247 E N 0.118 120.317 120.200 -0.003 0.000 2.150 247 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 247 E C 1.873 178.487 176.600 0.022 0.000 0.985 247 E CA 0.957 57.355 56.400 -0.004 0.000 0.814 247 E CB -0.322 29.359 29.700 -0.031 0.000 0.752 247 E HN 0.441 nan 8.360 nan 0.000 0.466 248 L N -0.276 120.981 121.223 0.057 0.000 1.994 248 L HA 0.037 4.376 4.340 -0.001 0.000 0.208 248 L C 2.214 179.106 176.870 0.036 0.000 1.071 248 L CA 2.356 57.248 54.840 0.087 0.000 0.745 248 L CB -1.086 41.063 42.059 0.151 0.000 0.892 248 L HN 0.246 nan 8.230 nan 0.000 0.431 249 G N -1.048 107.758 108.800 0.011 0.000 2.442 249 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.219 249 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.219 249 G C 1.815 176.724 174.900 0.014 0.000 1.141 249 G CA 0.799 45.901 45.100 0.004 0.000 0.763 249 G HN 0.397 nan 8.290 nan 0.000 0.554 250 R N 0.348 120.856 120.500 0.013 0.000 2.152 250 R HA -0.011 4.329 4.340 -0.001 0.000 0.232 250 R C 2.123 178.436 176.300 0.021 0.000 1.117 250 R CA 1.111 57.220 56.100 0.014 0.000 0.981 250 R CB -0.275 30.029 30.300 0.008 0.000 0.870 250 R HN 0.320 nan 8.270 nan 0.000 0.451 251 N N 0.207 118.924 118.700 0.028 0.000 2.409 251 N HA -0.073 4.666 4.740 -0.001 0.000 0.179 251 N C 1.020 176.554 175.510 0.039 0.000 1.032 251 N CA 0.748 53.820 53.050 0.037 0.000 0.898 251 N CB 0.220 38.736 38.487 0.048 0.000 0.971 251 N HN 0.258 nan 8.380 nan 0.000 0.441 252 L N 0.787 122.031 121.223 0.036 0.000 2.700 252 L HA 0.187 4.527 4.340 -0.001 0.000 0.234 252 L C -0.239 176.650 176.870 0.032 0.000 1.156 252 L CA -0.064 54.798 54.840 0.036 0.000 0.946 252 L CB -0.075 42.006 42.059 0.036 0.000 1.216 252 L HN 0.049 nan 8.230 nan 0.000 0.493 253 N N -1.165 117.552 118.700 0.029 0.000 2.758 253 N HA -0.169 4.571 4.740 -0.001 0.000 0.248 253 N C -0.157 175.370 175.510 0.028 0.000 1.076 253 N CA 0.447 53.513 53.050 0.027 0.000 0.696 253 N CB -2.143 36.361 38.487 0.028 0.000 0.979 253 N HN 0.267 nan 8.380 nan 0.000 0.550 254 c N 1.075 119.691 118.600 0.027 0.000 2.534 254 c HA 0.250 4.819 4.570 -0.001 0.000 0.385 254 c C 1.402 175.508 174.090 0.028 0.000 1.264 254 c CA -0.870 55.478 56.329 0.031 0.000 2.342 254 c CB 0.937 43.462 42.510 0.026 0.000 2.564 254 c HN 0.386 nan 8.230 nan 0.000 0.603 255 N N 1.667 120.389 118.700 0.036 0.000 2.475 255 N HA 0.127 4.867 4.740 -0.001 0.000 0.267 255 N C -0.079 175.444 175.510 0.021 0.000 1.169 255 N CA 0.246 53.313 53.050 0.028 0.000 0.947 255 N CB 0.456 38.963 38.487 0.033 0.000 1.061 255 N HN 0.624 nan 8.380 nan 0.000 0.466 256 L N 3.022 124.252 121.223 0.012 0.000 2.910 256 L HA 0.225 4.565 4.340 -0.001 0.000 0.252 256 L C 1.353 178.225 176.870 0.003 0.000 1.195 256 L CA -0.142 54.701 54.840 0.006 0.000 1.003 256 L CB -0.229 41.832 42.059 0.003 0.000 1.328 256 L HN 0.520 nan 8.230 nan 0.000 0.540 257 N N 0.365 119.068 118.700 0.004 0.000 2.223 257 N HA -0.096 4.644 4.740 -0.001 0.000 0.185 257 N C 0.593 176.103 175.510 -0.001 0.000 1.016 257 N CA 1.066 54.117 53.050 0.001 0.000 0.863 257 N CB 0.239 38.727 38.487 0.001 0.000 0.983 257 N HN 0.374 nan 8.380 nan 0.000 0.429 258 S N -1.415 114.285 115.700 -0.000 0.000 2.607 258 S HA 0.270 4.740 4.470 -0.001 0.000 0.273 258 S C -0.253 174.345 174.600 -0.003 0.000 1.148 258 S CA -0.942 57.257 58.200 -0.003 0.000 0.833 258 S CB 1.880 65.078 63.200 -0.003 0.000 1.130 258 S HN -0.189 nan 8.310 nan 0.000 0.470 259 D N 1.108 121.503 120.400 -0.008 0.000 2.123 259 D HA -0.100 4.540 4.640 -0.001 0.000 0.196 259 D C 1.701 178.000 176.300 -0.002 0.000 0.992 259 D CA 1.562 55.553 54.000 -0.014 0.000 0.833 259 D CB -0.074 40.714 40.800 -0.020 0.000 0.954 259 D HN 0.659 nan 8.370 nan 0.000 0.455 260 E N 0.873 121.079 120.200 0.009 0.000 2.110 260 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 260 E C 1.966 178.600 176.600 0.056 0.000 0.988 260 E CA 0.624 57.042 56.400 0.031 0.000 0.804 260 E CB -0.179 29.532 29.700 0.019 0.000 0.745 260 E HN 0.512 nan 8.360 nan 0.000 0.458 261 E N 0.540 120.761 120.200 0.034 0.000 2.106 261 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 261 E C 2.215 178.860 176.600 0.075 0.000 0.984 261 E CA 0.431 56.861 56.400 0.049 0.000 0.806 261 E CB -0.136 29.577 29.700 0.022 0.000 0.750 261 E HN 0.117 nan 8.360 nan 0.000 0.458 262 L N 1.076 122.320 121.223 0.036 0.000 2.044 262 L HA -0.084 4.256 4.340 -0.001 0.000 0.205 262 L C 2.123 178.997 176.870 0.008 0.000 1.075 262 L CA 1.381 56.228 54.840 0.012 0.000 0.747 262 L CB -0.367 41.677 42.059 -0.025 0.000 0.903 262 L HN 0.009 nan 8.230 nan 0.000 0.435 263 I N -0.733 119.842 120.570 0.008 0.000 2.315 263 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 263 I C 2.603 178.789 176.117 0.115 0.000 1.117 263 I CA 1.371 62.682 61.300 0.019 0.000 1.404 263 I CB -0.648 37.365 38.000 0.022 0.000 1.071 263 I HN 0.472 nan 8.210 nan 0.000 0.419 264 H N 0.470 119.571 119.070 0.051 0.000 2.353 264 H HA -0.245 4.310 4.556 -0.001 0.000 0.300 264 H C 2.436 177.802 175.328 0.063 0.000 1.090 264 H CA 2.169 58.252 56.048 0.059 0.000 1.327 264 H CB -0.154 29.629 29.762 0.036 0.000 1.383 264 H HN 0.487 nan 8.280 nan 0.000 0.508 265 c N 0.941 119.582 118.600 0.068 0.000 2.432 265 c HA -0.078 4.492 4.570 -0.001 0.000 0.277 265 c C 3.041 177.129 174.090 -0.003 0.000 1.249 265 c CA 0.764 57.109 56.329 0.027 0.000 1.725 265 c CB -1.392 41.162 42.510 0.074 0.000 2.028 265 c HN 0.569 nan 8.230 nan 0.000 0.477 266 L N 0.183 121.434 121.223 0.048 0.000 2.131 266 L HA -0.074 4.266 4.340 -0.001 0.000 0.210 266 L C 2.907 179.872 176.870 0.158 0.000 1.092 266 L CA 1.378 56.292 54.840 0.124 0.000 0.759 266 L CB -0.671 41.470 42.059 0.137 0.000 0.903 266 L HN 0.346 nan 8.230 nan 0.000 0.435 267 R N -0.507 120.056 120.500 0.104 0.000 2.276 267 R HA -0.068 4.272 4.340 -0.001 0.000 0.203 267 R C 1.718 177.963 176.300 -0.093 0.000 1.017 267 R CA 0.379 56.471 56.100 -0.014 0.000 1.010 267 R CB 0.103 30.388 30.300 -0.025 0.000 0.900 267 R HN 0.233 nan 8.270 nan 0.000 0.469 268 E N 0.514 120.638 120.200 -0.126 0.000 2.385 268 E HA 0.030 4.380 4.350 -0.001 0.000 0.194 268 E C 0.047 176.626 176.600 -0.034 0.000 1.013 268 E CA 0.598 56.932 56.400 -0.110 0.000 0.866 268 E CB 0.296 29.912 29.700 -0.139 0.000 0.832 268 E HN 0.035 nan 8.360 nan 0.000 0.500 269 K N 1.579 121.975 120.400 -0.007 0.000 2.237 269 K HA 0.134 4.454 4.320 -0.001 0.000 0.270 269 K C 0.605 177.229 176.600 0.040 0.000 1.015 269 K CA -0.356 55.946 56.287 0.024 0.000 0.949 269 K CB 0.827 33.350 32.500 0.039 0.000 0.976 269 K HN -0.202 nan 8.250 nan 0.000 0.472 270 K N 2.213 122.643 120.400 0.050 0.000 2.258 270 K HA 0.068 4.387 4.320 -0.001 0.000 0.264 270 K C -1.625 175.046 176.600 0.118 0.000 1.007 270 K CA -1.772 54.550 56.287 0.060 0.000 0.941 270 K CB 0.069 32.597 32.500 0.046 0.000 0.966 270 K HN 0.200 nan 8.250 nan 0.000 0.480 271 P HA -0.211 nan 4.420 nan 0.000 0.215 271 P C 1.177 178.646 177.300 0.281 0.000 1.163 271 P CA 1.424 64.690 63.100 0.276 0.000 0.894 271 P CB 0.286 32.008 31.700 0.037 0.000 0.791 272 Q N 0.103 119.998 119.800 0.159 0.000 2.297 272 Q HA -0.207 4.132 4.340 -0.001 0.000 0.208 272 Q C 1.852 177.943 176.000 0.152 0.000 0.981 272 Q CA 1.655 57.548 55.803 0.151 0.000 0.876 272 Q CB -0.864 27.931 28.738 0.095 0.000 0.921 272 Q HN 0.361 nan 8.270 nan 0.000 0.446 273 E N -1.049 119.229 120.200 0.130 0.000 2.106 273 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 273 E C 1.483 178.149 176.600 0.110 0.000 0.984 273 E CA 0.933 57.397 56.400 0.107 0.000 0.806 273 E CB 0.034 29.782 29.700 0.080 0.000 0.750 273 E HN 0.253 nan 8.360 nan 0.000 0.458 274 L N 0.388 121.680 121.223 0.115 0.000 2.095 274 L HA -0.086 4.253 4.340 -0.001 0.000 0.204 274 L C 2.163 179.106 176.870 0.121 0.000 1.080 274 L CA 1.274 56.147 54.840 0.055 0.000 0.759 274 L CB -0.445 41.550 42.059 -0.107 0.000 0.914 274 L HN 0.129 nan 8.230 nan 0.000 0.439 275 I N -0.287 120.413 120.570 0.217 0.000 2.264 275 I HA -0.298 3.872 4.170 -0.001 0.000 0.248 275 I C 1.787 178.086 176.117 0.303 0.000 1.111 275 I CA 1.119 62.595 61.300 0.293 0.000 1.382 275 I CB -0.364 37.846 38.000 0.351 0.000 1.060 275 I HN 0.238 nan 8.210 nan 0.000 0.418 276 D N 0.113 120.658 120.400 0.242 0.000 2.309 276 D HA -0.103 4.537 4.640 -0.001 0.000 0.212 276 D C 1.765 178.194 176.300 0.215 0.000 0.968 276 D CA 1.286 55.426 54.000 0.233 0.000 0.882 276 D CB 0.112 41.010 40.800 0.163 0.000 0.918 276 D HN 0.399 nan 8.370 nan 0.000 0.503 277 V N -2.936 117.085 119.914 0.178 0.000 3.432 277 V HA 0.209 4.329 4.120 -0.001 0.000 0.298 277 V C 1.722 177.896 176.094 0.132 0.000 1.464 277 V CA -0.104 62.284 62.300 0.148 0.000 1.046 277 V CB 0.332 32.218 31.823 0.106 0.000 0.887 277 V HN -0.077 nan 8.190 nan 0.000 0.441 278 E N 0.995 121.266 120.200 0.119 0.000 2.086 278 E HA -0.277 4.073 4.350 -0.001 0.000 0.200 278 E C 1.548 178.037 176.600 -0.184 0.000 1.012 278 E CA 2.690 59.102 56.400 0.020 0.000 0.812 278 E CB -0.248 29.396 29.700 -0.094 0.000 0.743 278 E HN 0.790 nan 8.360 nan 0.000 0.453 279 W N 0.804 122.073 121.300 -0.052 0.000 2.699 279 W HA 0.028 4.688 4.660 -0.001 0.000 0.249 279 W C 1.570 178.033 176.519 -0.094 0.000 1.280 279 W CA 0.072 57.340 57.345 -0.129 0.000 1.345 279 W CB 0.026 29.370 29.460 -0.194 0.000 1.128 279 W HN 0.107 nan 8.180 nan 0.000 0.642 280 N N 0.099 118.870 118.700 0.119 0.000 2.515 280 N HA -0.082 4.657 4.740 -0.001 0.000 0.185 280 N C 1.648 177.154 175.510 -0.007 0.000 1.109 280 N CA 1.247 54.336 53.050 0.064 0.000 0.903 280 N CB -0.341 38.186 38.487 0.065 0.000 0.969 280 N HN 0.249 nan 8.380 nan 0.000 0.450 281 V N -2.254 117.620 119.914 -0.067 0.000 3.647 281 V HA 0.272 4.392 4.120 -0.001 0.000 0.279 281 V C 0.728 176.706 176.094 -0.193 0.000 1.314 281 V CA -0.150 62.069 62.300 -0.135 0.000 1.125 281 V CB -0.670 31.042 31.823 -0.185 0.000 0.907 281 V HN -0.043 nan 8.190 nan 0.000 0.434 282 L N 2.276 123.403 121.223 -0.159 0.000 2.461 282 L HA 0.237 4.577 4.340 -0.001 0.000 0.272 282 L C -0.307 176.419 176.870 -0.241 0.000 1.197 282 L CA -0.875 53.855 54.840 -0.182 0.000 0.836 282 L CB 0.591 42.602 42.059 -0.080 0.000 1.105 282 L HN 0.143 nan 8.230 nan 0.000 0.477 283 P HA -0.005 nan 4.420 nan 0.000 0.227 283 P C -0.244 176.599 177.300 -0.762 0.000 1.161 283 P CA 0.991 63.686 63.100 -0.675 0.000 0.788 283 P CB 0.339 31.427 31.700 -1.019 0.000 0.822 284 F N -0.384 119.559 119.950 -0.012 0.000 2.620 284 F HA 0.407 4.934 4.527 -0.001 0.000 0.320 284 F C 0.319 176.119 175.800 0.001 0.000 1.069 284 F CA -1.724 56.275 58.000 -0.000 0.000 0.953 284 F CB 0.117 39.123 39.000 0.011 0.000 1.322 284 F HN -0.358 nan 8.300 nan 0.000 0.479 285 D N 1.126 121.661 120.400 0.226 0.000 2.339 285 D HA 0.447 5.087 4.640 -0.001 0.000 0.256 285 D C -0.685 175.692 176.300 0.129 0.000 1.214 285 D CA 0.388 54.460 54.000 0.121 0.000 0.877 285 D CB 0.497 41.349 40.800 0.087 0.000 1.111 285 D HN 0.630 nan 8.370 nan 0.000 0.478 286 S N 2.520 118.278 115.700 0.097 0.000 2.643 286 S HA 0.662 5.131 4.470 -0.001 0.000 0.270 286 S C -1.084 173.545 174.600 0.047 0.000 1.166 286 S CA -0.965 57.286 58.200 0.085 0.000 0.815 286 S CB 0.980 64.261 63.200 0.136 0.000 1.139 286 S HN 0.280 nan 8.310 nan 0.000 0.472 287 I N 0.563 121.162 120.570 0.048 0.000 2.740 287 I HA 0.735 4.904 4.170 -0.001 0.000 0.303 287 I C -0.577 175.578 176.117 0.063 0.000 1.044 287 I CA -0.935 60.398 61.300 0.055 0.000 1.064 287 I CB 1.293 39.337 38.000 0.073 0.000 1.249 287 I HN 0.856 nan 8.210 nan 0.000 0.433 288 F N 5.002 124.848 119.950 -0.173 0.000 3.071 288 F HA -0.233 4.294 4.527 -0.001 0.000 0.295 288 F C -0.318 175.016 175.800 -0.777 0.000 0.919 288 F CA 0.493 58.203 58.000 -0.484 0.000 1.050 288 F CB -0.603 38.063 39.000 -0.556 0.000 1.040 288 F HN 0.427 nan 8.300 nan 0.000 0.692 289 R N 0.398 120.396 120.500 -0.836 0.000 2.651 289 R HA 0.657 4.997 4.340 -0.001 0.000 0.278 289 R C -1.128 174.591 176.300 -0.969 0.000 1.010 289 R CA -0.593 55.085 56.100 -0.704 0.000 0.896 289 R CB 1.473 31.670 30.300 -0.171 0.000 1.211 289 R HN -0.013 nan 8.270 nan 0.000 0.456 290 F N -0.746 119.289 119.950 0.141 0.000 2.565 290 F HA 0.370 4.896 4.527 -0.001 0.000 0.313 290 F C 1.516 177.200 175.800 -0.193 0.000 1.091 290 F CA -0.845 57.133 58.000 -0.037 0.000 0.915 290 F CB 1.799 40.903 39.000 0.172 0.000 1.208 290 F HN 0.355 nan 8.300 nan 0.000 0.453 291 S N 0.702 116.202 115.700 -0.333 0.000 2.354 291 S HA -0.094 4.375 4.470 -0.001 0.000 0.219 291 S C 0.140 174.306 174.600 -0.724 0.000 1.035 291 S CA 1.329 59.139 58.200 -0.651 0.000 1.037 291 S CB -0.292 62.322 63.200 -0.977 0.000 0.956 291 S HN 0.351 nan 8.310 nan 0.000 0.428 292 F N 1.827 121.781 119.950 0.006 0.000 2.332 292 F HA 0.561 5.088 4.527 -0.001 0.000 0.368 292 F C 0.120 175.961 175.800 0.068 0.000 1.110 292 F CA -0.935 57.116 58.000 0.085 0.000 1.087 292 F CB 0.937 40.027 39.000 0.150 0.000 1.235 292 F HN -0.047 nan 8.300 nan 0.000 0.470 293 V N 0.828 120.747 119.914 0.008 0.000 3.167 293 V HA 0.751 4.870 4.120 -0.001 0.000 0.310 293 V C -2.899 172.905 176.094 -0.484 0.000 1.207 293 V CA -3.342 58.653 62.300 -0.507 0.000 1.059 293 V CB 1.909 33.550 31.823 -0.304 0.000 1.079 293 V HN 0.248 nan 8.190 nan 0.000 0.446 294 P HA 0.242 nan 4.420 nan 0.000 0.266 294 P C -0.645 176.556 177.300 -0.166 0.000 1.193 294 P CA 0.296 63.193 63.100 -0.339 0.000 0.770 294 P CB 0.404 31.817 31.700 -0.478 0.000 0.836 295 V N 0.945 120.864 119.914 0.009 0.000 2.628 295 V HA 0.415 4.535 4.120 -0.001 0.000 0.306 295 V C 0.023 176.161 176.094 0.073 0.000 1.045 295 V CA -0.901 61.394 62.300 -0.007 0.000 0.905 295 V CB 1.720 33.559 31.823 0.026 0.000 0.997 295 V HN 0.225 nan 8.190 nan 0.000 0.436 296 I N 5.100 125.642 120.570 -0.048 0.000 2.357 296 I HA 0.174 4.344 4.170 -0.001 0.000 0.300 296 I C 0.830 176.956 176.117 0.015 0.000 1.159 296 I CA 0.286 61.589 61.300 0.004 0.000 1.339 296 I CB -0.181 37.749 38.000 -0.115 0.000 1.458 296 I HN 0.961 nan 8.210 nan 0.000 0.577 297 D N 3.257 123.729 120.400 0.120 0.000 2.369 297 D HA 0.083 4.723 4.640 -0.001 0.000 0.211 297 D C 1.360 177.673 176.300 0.021 0.000 1.077 297 D CA 0.532 54.512 54.000 -0.034 0.000 0.842 297 D CB 0.519 41.387 40.800 0.114 0.000 0.947 297 D HN 0.644 nan 8.370 nan 0.000 0.509 298 G N 0.468 109.328 108.800 0.100 0.000 2.162 298 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.260 298 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.260 298 G C 0.698 175.665 174.900 0.112 0.000 0.976 298 G CA 0.754 45.914 45.100 0.099 0.000 0.655 298 G HN 0.479 nan 8.290 nan 0.000 0.533 299 E N -1.698 118.581 120.200 0.131 0.000 2.625 299 E HA 0.454 4.804 4.350 -0.001 0.000 0.185 299 E C 1.745 178.357 176.600 0.021 0.000 1.085 299 E CA -0.185 56.269 56.400 0.089 0.000 1.137 299 E CB 0.023 29.799 29.700 0.125 0.000 1.687 299 E HN 0.182 nan 8.360 nan 0.000 0.512 300 F N 0.632 120.494 119.950 -0.146 0.000 2.126 300 F HA -0.007 4.520 4.527 -0.001 0.000 0.299 300 F C 0.129 175.600 175.800 -0.548 0.000 1.096 300 F CA 1.165 58.928 58.000 -0.395 0.000 1.255 300 F CB 0.261 38.923 39.000 -0.563 0.000 0.997 300 F HN -0.072 nan 8.300 nan 0.000 0.479 301 F N 1.867 121.956 119.950 0.233 0.000 2.332 301 F HA 0.339 4.866 4.527 -0.001 0.000 0.368 301 F C -1.428 174.408 175.800 0.060 0.000 1.110 301 F CA -3.052 55.024 58.000 0.127 0.000 1.087 301 F CB 0.445 39.516 39.000 0.119 0.000 1.235 301 F HN -0.199 nan 8.300 nan 0.000 0.470 302 P HA -0.085 nan 4.420 nan 0.000 0.217 302 P C 0.411 177.767 177.300 0.094 0.000 1.150 302 P CA 1.390 64.545 63.100 0.092 0.000 0.832 302 P CB 0.305 32.032 31.700 0.044 0.000 0.787 303 T N -4.605 110.015 114.554 0.110 0.000 2.696 303 T HA 0.420 4.770 4.350 -0.001 0.000 0.291 303 T C -0.249 174.494 174.700 0.071 0.000 1.095 303 T CA -0.568 61.576 62.100 0.072 0.000 1.026 303 T CB 1.024 69.921 68.868 0.048 0.000 1.390 303 T HN 0.066 nan 8.240 nan 0.000 0.513 304 S N 0.120 115.837 115.700 0.029 0.000 2.558 304 S HA 0.116 4.586 4.470 -0.001 0.000 0.287 304 S C 1.509 176.113 174.600 0.006 0.000 1.321 304 S CA -0.630 57.566 58.200 -0.007 0.000 1.048 304 S CB -0.421 62.770 63.200 -0.015 0.000 0.844 304 S HN 0.666 nan 8.310 nan 0.000 0.512 305 L N 0.703 121.894 121.223 -0.054 0.000 2.079 305 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 305 L C 2.915 179.814 176.870 0.048 0.000 1.081 305 L CA 1.961 56.785 54.840 -0.027 0.000 0.752 305 L CB -0.755 41.224 42.059 -0.135 0.000 0.896 305 L HN 0.812 nan 8.230 nan 0.000 0.433 306 E N 0.624 120.848 120.200 0.040 0.000 2.077 306 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 306 E C 2.267 178.923 176.600 0.094 0.000 0.989 306 E CA 1.674 58.129 56.400 0.092 0.000 0.800 306 E CB -0.080 29.663 29.700 0.071 0.000 0.746 306 E HN 0.475 nan 8.360 nan 0.000 0.452 307 S N -0.426 115.313 115.700 0.064 0.000 2.402 307 S HA -0.155 4.314 4.470 -0.001 0.000 0.229 307 S C 2.120 176.762 174.600 0.071 0.000 1.021 307 S CA 1.240 59.476 58.200 0.060 0.000 0.974 307 S CB -0.368 62.855 63.200 0.039 0.000 0.800 307 S HN 0.250 nan 8.310 nan 0.000 0.484 308 M N 1.057 120.716 119.600 0.097 0.000 2.086 308 M HA 0.031 4.511 4.480 -0.001 0.000 0.261 308 M C 2.288 178.725 176.300 0.229 0.000 1.067 308 M CA 1.428 56.812 55.300 0.139 0.000 1.116 308 M CB -0.701 32.013 32.600 0.190 0.000 1.348 308 M HN 0.297 nan 8.290 nan 0.000 0.407 309 L N 0.051 121.408 121.223 0.224 0.000 2.012 309 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 309 L C 2.274 179.298 176.870 0.256 0.000 1.073 309 L CA 1.105 56.096 54.840 0.252 0.000 0.748 309 L CB -0.914 41.205 42.059 0.101 0.000 0.891 309 L HN 0.397 nan 8.230 nan 0.000 0.431 310 N N -0.177 118.619 118.700 0.159 0.000 2.166 310 N HA -0.137 4.603 4.740 -0.001 0.000 0.186 310 N C 1.930 177.501 175.510 0.101 0.000 1.019 310 N CA 1.751 54.888 53.050 0.146 0.000 0.856 310 N CB -0.105 38.450 38.487 0.113 0.000 0.993 310 N HN 0.359 nan 8.380 nan 0.000 0.426 311 S N -1.123 114.570 115.700 -0.012 0.000 2.593 311 S HA 0.243 4.713 4.470 -0.001 0.000 0.217 311 S C 1.315 175.580 174.600 -0.559 0.000 0.966 311 S CA 0.495 58.611 58.200 -0.141 0.000 0.914 311 S CB 0.290 63.433 63.200 -0.095 0.000 0.776 311 S HN 0.386 nan 8.310 nan 0.000 0.523 312 G N 1.895 110.175 108.800 -0.867 0.000 2.143 312 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 312 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 312 G C -0.016 174.050 174.900 -1.390 0.000 0.991 312 G CA 0.043 43.956 45.100 -1.979 0.000 0.689 312 G HN 0.601 nan 8.290 nan 0.000 0.522 313 N N 0.715 119.047 118.700 -0.613 0.000 2.819 313 N HA 0.505 5.244 4.740 -0.001 0.000 0.284 313 N C -0.144 175.345 175.510 -0.035 0.000 1.196 313 N CA 0.032 52.905 53.050 -0.295 0.000 1.114 313 N CB -0.955 37.476 38.487 -0.093 0.000 1.437 313 N HN 0.760 nan 8.380 nan 0.000 0.518 314 F N -1.086 118.804 119.950 -0.100 0.000 2.842 314 F HA 0.378 4.905 4.527 -0.000 0.000 0.319 314 F C -0.423 175.392 175.800 0.026 0.000 1.159 314 F CA -1.394 56.615 58.000 0.015 0.000 0.902 314 F CB 0.617 39.688 39.000 0.118 0.000 1.311 314 F HN -0.162 nan 8.300 nan 0.000 0.453 315 K N 1.952 122.596 120.400 0.407 0.000 2.447 315 K HA 0.185 4.505 4.320 -0.001 0.000 0.281 315 K C -1.008 175.833 176.600 0.400 0.000 1.031 315 K CA -0.094 56.350 56.287 0.262 0.000 1.019 315 K CB 0.472 33.079 32.500 0.177 0.000 0.918 315 K HN 0.732 nan 8.250 nan 0.000 0.476 316 K N 2.989 123.500 120.400 0.184 0.000 2.263 316 K HA 0.189 4.508 4.320 -0.001 0.000 0.272 316 K C -0.199 176.523 176.600 0.203 0.000 1.033 316 K CA -0.387 56.012 56.287 0.186 0.000 0.884 316 K CB 1.848 34.358 32.500 0.016 0.000 1.107 316 K HN 0.637 nan 8.250 nan 0.000 0.460 317 T N 1.329 116.091 114.554 0.346 0.000 2.647 317 T HA 0.181 4.530 4.350 -0.001 0.000 0.302 317 T C -1.520 173.388 174.700 0.346 0.000 1.389 317 T CA -0.655 61.601 62.100 0.259 0.000 1.037 317 T CB 0.804 69.793 68.868 0.201 0.000 1.755 317 T HN 0.421 nan 8.240 nan 0.000 0.467 318 Q N 0.969 120.942 119.800 0.288 0.000 2.230 318 Q HA 0.754 5.094 4.340 -0.001 0.000 0.248 318 Q C -0.381 175.900 176.000 0.469 0.000 0.915 318 Q CA -0.412 55.615 55.803 0.373 0.000 0.900 318 Q CB 1.271 30.233 28.738 0.374 0.000 1.229 318 Q HN 0.670 nan 8.270 nan 0.000 0.439 319 I N -1.378 119.391 120.570 0.331 0.000 2.769 319 I HA 0.694 4.864 4.170 -0.001 0.000 0.298 319 I C -1.510 174.476 176.117 -0.219 0.000 1.128 319 I CA -1.361 59.998 61.300 0.098 0.000 1.031 319 I CB 1.859 39.766 38.000 -0.157 0.000 1.235 319 I HN 0.535 nan 8.210 nan 0.000 0.423 320 L N 6.936 127.809 121.223 -0.583 0.000 2.381 320 L HA 0.822 5.161 4.340 -0.001 0.000 0.274 320 L C -1.285 175.362 176.870 -0.371 0.000 0.988 320 L CA -0.508 53.895 54.840 -0.729 0.000 0.824 320 L CB 1.635 42.755 42.059 -1.566 0.000 1.263 320 L HN 0.876 nan 8.230 nan 0.000 0.410 321 L N 2.509 123.641 121.223 -0.152 0.000 2.765 321 L HA 1.108 5.447 4.340 -0.001 0.000 0.263 321 L C -0.792 175.840 176.870 -0.396 0.000 1.068 321 L CA -0.355 54.417 54.840 -0.114 0.000 0.903 321 L CB 1.823 43.806 42.059 -0.126 0.000 1.512 321 L HN 0.698 nan 8.230 nan 0.000 0.404 322 G N -0.261 108.115 108.800 -0.707 0.000 2.321 322 G HA2 0.555 4.514 3.960 -0.001 0.000 0.296 322 G HA3 0.555 4.514 3.960 -0.001 0.000 0.296 322 G C -1.566 172.971 174.900 -0.605 0.000 1.287 322 G CA 0.024 44.391 45.100 -1.222 0.000 0.846 322 G HN 1.554 nan 8.290 nan 0.000 0.508 323 V N -2.518 117.206 119.914 -0.318 0.000 3.160 323 V HA 0.874 4.993 4.120 -0.001 0.000 0.310 323 V C -0.889 175.281 176.094 0.126 0.000 1.181 323 V CA -1.439 60.884 62.300 0.038 0.000 1.047 323 V CB 1.898 33.764 31.823 0.071 0.000 1.068 323 V HN 0.705 nan 8.190 nan 0.000 0.441 324 N N 0.816 119.605 118.700 0.148 0.000 2.489 324 N HA 0.421 5.160 4.740 -0.001 0.000 0.284 324 N C 0.608 176.039 175.510 -0.132 0.000 1.158 324 N CA -0.488 52.623 53.050 0.101 0.000 0.965 324 N CB 1.721 40.373 38.487 0.276 0.000 1.195 324 N HN 0.934 nan 8.380 nan 0.000 0.506 325 K N 0.087 120.309 120.400 -0.298 0.000 2.032 325 K HA -0.079 4.241 4.320 -0.001 0.000 0.209 325 K C -0.602 176.074 176.600 0.127 0.000 1.048 325 K CA 1.317 57.513 56.287 -0.152 0.000 0.927 325 K CB 0.177 32.654 32.500 -0.038 0.000 0.712 325 K HN 0.511 nan 8.250 nan 0.000 0.441 326 D N 1.304 121.781 120.400 0.128 0.000 2.863 326 D HA 0.034 4.674 4.640 -0.001 0.000 0.323 326 D C 0.206 176.618 176.300 0.186 0.000 1.286 326 D CA -0.077 54.018 54.000 0.158 0.000 0.921 326 D CB 1.222 42.095 40.800 0.122 0.000 1.024 326 D HN 0.192 nan 8.370 nan 0.000 0.505 327 E N 0.537 120.864 120.200 0.213 0.000 2.118 327 E HA -0.125 4.224 4.350 -0.001 0.000 0.195 327 E C 2.005 178.768 176.600 0.273 0.000 0.992 327 E CA 0.710 57.270 56.400 0.268 0.000 0.804 327 E CB 0.057 29.884 29.700 0.212 0.000 0.741 327 E HN 0.422 nan 8.360 nan 0.000 0.458 328 G N 1.299 110.226 108.800 0.211 0.000 2.511 328 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.217 328 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.217 328 G C 1.735 176.809 174.900 0.290 0.000 1.133 328 G CA 0.914 46.167 45.100 0.255 0.000 0.792 328 G HN 0.374 nan 8.290 nan 0.000 0.539 329 S N 0.731 116.550 115.700 0.198 0.000 2.374 329 S HA -0.202 4.268 4.470 -0.001 0.000 0.227 329 S C 2.093 176.702 174.600 0.015 0.000 1.037 329 S CA 1.202 59.472 58.200 0.118 0.000 1.024 329 S CB -0.608 62.568 63.200 -0.039 0.000 0.861 329 S HN 0.130 nan 8.310 nan 0.000 0.456 330 F N 2.146 121.959 119.950 -0.228 0.000 2.120 330 F HA 0.007 4.534 4.527 -0.001 0.000 0.300 330 F C 1.795 177.256 175.800 -0.565 0.000 1.095 330 F CA 0.393 58.062 58.000 -0.551 0.000 1.249 330 F CB -0.927 37.589 39.000 -0.806 0.000 0.995 330 F HN 0.212 nan 8.300 nan 0.000 0.480 331 F N -0.877 119.066 119.950 -0.011 0.000 2.293 331 F HA -0.054 4.472 4.527 -0.001 0.000 0.297 331 F C 2.250 178.018 175.800 -0.053 0.000 1.089 331 F CA 0.620 58.555 58.000 -0.108 0.000 1.377 331 F CB -1.040 37.852 39.000 -0.181 0.000 1.051 331 F HN -0.142 nan 8.300 nan 0.000 0.511 332 L N -0.616 120.618 121.223 0.019 0.000 2.056 332 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 332 L C 2.458 179.203 176.870 -0.208 0.000 1.078 332 L CA 0.609 55.234 54.840 -0.358 0.000 0.749 332 L CB -0.682 40.750 42.059 -1.044 0.000 0.901 332 L HN 0.150 nan 8.230 nan 0.000 0.433 333 L N -0.874 120.424 121.223 0.125 0.000 1.990 333 L HA -0.293 4.047 4.340 -0.001 0.000 0.213 333 L C 2.407 179.499 176.870 0.371 0.000 1.072 333 L CA 2.093 57.187 54.840 0.424 0.000 0.755 333 L CB -0.735 41.614 42.059 0.482 0.000 0.889 333 L HN 0.121 nan 8.230 nan 0.000 0.432 334 Y N -0.517 119.847 120.300 0.106 0.000 2.314 334 Y HA 0.109 4.659 4.550 -0.001 0.000 0.293 334 Y C 2.297 178.200 175.900 0.006 0.000 1.129 334 Y CA 1.180 59.310 58.100 0.050 0.000 1.201 334 Y CB -0.413 38.021 38.460 -0.044 0.000 0.999 334 Y HN 0.326 nan 8.280 nan 0.000 0.541 335 G N -1.990 106.901 108.800 0.150 0.000 3.581 335 G HA2 0.463 4.423 3.960 -0.001 0.000 0.248 335 G HA3 0.463 4.423 3.960 -0.001 0.000 0.248 335 G C -0.240 174.708 174.900 0.079 0.000 1.037 335 G CA 0.352 45.499 45.100 0.079 0.000 0.902 335 G HN 0.300 nan 8.290 nan 0.000 0.512 336 A N 1.661 124.543 122.820 0.104 0.000 2.305 336 A HA 0.817 5.137 4.320 -0.001 0.000 0.322 336 A C -2.458 175.298 177.584 0.286 0.000 1.187 336 A CA -1.590 50.547 52.037 0.167 0.000 0.825 336 A CB 1.275 20.365 19.000 0.149 0.000 1.164 336 A HN 0.066 nan 8.150 nan 0.000 0.498 337 P HA 0.278 nan 4.420 nan 0.000 0.268 337 P C 0.798 178.163 177.300 0.107 0.000 1.204 337 P CA 1.398 64.577 63.100 0.132 0.000 0.768 337 P CB 1.162 32.903 31.700 0.068 0.000 0.842 338 G N 1.704 110.515 108.800 0.019 0.000 2.238 338 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 338 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 338 G C -0.292 174.417 174.900 -0.318 0.000 0.996 338 G CA -0.526 44.466 45.100 -0.180 0.000 0.632 338 G HN 0.436 nan 8.290 nan 0.000 0.503 339 F N 2.266 122.165 119.950 -0.086 0.000 2.421 339 F HA 0.687 5.214 4.527 -0.001 0.000 0.337 339 F C 0.749 176.564 175.800 0.025 0.000 1.105 339 F CA 0.087 58.008 58.000 -0.131 0.000 1.049 339 F CB 2.276 41.241 39.000 -0.058 0.000 1.139 339 F HN 0.315 nan 8.300 nan 0.000 0.479 340 S N 1.244 117.099 115.700 0.259 0.000 2.550 340 S HA 0.317 4.786 4.470 -0.001 0.000 0.270 340 S C 0.243 175.092 174.600 0.415 0.000 1.145 340 S CA -1.223 57.160 58.200 0.305 0.000 0.852 340 S CB 2.021 65.319 63.200 0.164 0.000 1.119 340 S HN 0.700 nan 8.310 nan 0.000 0.465 341 K N 0.147 120.739 120.400 0.321 0.000 2.103 341 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 341 K C -0.094 176.584 176.600 0.130 0.000 1.048 341 K CA 1.826 58.208 56.287 0.158 0.000 0.930 341 K CB -0.185 32.102 32.500 -0.356 0.000 0.716 341 K HN 0.636 nan 8.250 nan 0.000 0.444 342 D N 0.351 120.808 120.400 0.094 0.000 2.388 342 D HA 0.031 4.671 4.640 -0.001 0.000 0.221 342 D C -0.078 176.278 176.300 0.093 0.000 1.133 342 D CA 0.091 54.129 54.000 0.062 0.000 0.831 342 D CB 0.752 41.551 40.800 -0.002 0.000 0.962 342 D HN 0.188 nan 8.370 nan 0.000 0.502 343 S N -1.234 114.548 115.700 0.136 0.000 2.709 343 S HA 0.362 4.831 4.470 -0.001 0.000 0.302 343 S C 0.756 175.402 174.600 0.078 0.000 1.127 343 S CA -0.755 57.483 58.200 0.062 0.000 0.905 343 S CB 2.428 65.618 63.200 -0.017 0.000 1.151 343 S HN -0.149 nan 8.310 nan 0.000 0.510 344 E N 0.492 120.688 120.200 -0.006 0.000 2.418 344 E HA 0.055 4.404 4.350 -0.001 0.000 0.197 344 E C -0.405 175.972 176.600 -0.372 0.000 1.026 344 E CA 0.389 56.771 56.400 -0.030 0.000 0.862 344 E CB -0.203 29.490 29.700 -0.012 0.000 0.799 344 E HN 0.699 nan 8.360 nan 0.000 0.518 345 S N 1.073 116.493 115.700 -0.467 0.000 3.631 345 S HA -0.174 4.296 4.470 -0.001 0.000 0.366 345 S C -0.267 173.960 174.600 -0.621 0.000 0.993 345 S CA 0.655 58.432 58.200 -0.706 0.000 1.167 345 S CB -1.167 61.247 63.200 -1.310 0.000 0.909 345 S HN 0.277 nan 8.310 nan 0.000 0.478 346 K N 0.850 121.029 120.400 -0.368 0.000 2.416 346 K HA 0.244 4.564 4.320 -0.001 0.000 0.283 346 K C 0.264 176.672 176.600 -0.321 0.000 1.037 346 K CA -0.060 56.064 56.287 -0.272 0.000 0.995 346 K CB 0.355 32.756 32.500 -0.165 0.000 0.938 346 K HN 0.188 nan 8.250 nan 0.000 0.475 347 I N 2.698 123.085 120.570 -0.305 0.000 2.359 347 I HA 0.053 4.223 4.170 -0.001 0.000 0.294 347 I C 0.932 176.968 176.117 -0.135 0.000 0.987 347 I CA -0.397 60.733 61.300 -0.284 0.000 1.225 347 I CB 1.161 38.976 38.000 -0.309 0.000 1.366 347 I HN 0.663 nan 8.210 nan 0.000 0.466 348 S N 5.949 121.586 115.700 -0.105 0.000 2.600 348 S HA 0.202 4.672 4.470 -0.001 0.000 0.265 348 S C 1.207 175.810 174.600 0.004 0.000 1.325 348 S CA -0.319 57.848 58.200 -0.055 0.000 1.002 348 S CB 1.361 64.535 63.200 -0.044 0.000 0.921 348 S HN 0.605 nan 8.310 nan 0.000 0.554 349 R N 0.997 121.497 120.500 -0.001 0.000 2.105 349 R HA -0.084 4.255 4.340 -0.001 0.000 0.239 349 R C 1.823 178.194 176.300 0.118 0.000 1.135 349 R CA 2.084 58.207 56.100 0.038 0.000 0.967 349 R CB -0.899 29.405 30.300 0.006 0.000 0.861 349 R HN 0.857 nan 8.270 nan 0.000 0.442 350 E N 0.004 120.247 120.200 0.072 0.000 2.047 350 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 350 E C 1.597 178.241 176.600 0.074 0.000 0.987 350 E CA 1.511 57.954 56.400 0.070 0.000 0.799 350 E CB -0.213 29.510 29.700 0.038 0.000 0.752 350 E HN 0.317 nan 8.360 nan 0.000 0.449 351 D N -0.345 120.087 120.400 0.054 0.000 2.178 351 D HA -0.119 4.521 4.640 -0.001 0.000 0.202 351 D C 1.552 177.901 176.300 0.081 0.000 0.974 351 D CA 0.439 54.464 54.000 0.043 0.000 0.841 351 D CB -0.228 40.561 40.800 -0.018 0.000 0.953 351 D HN 0.088 nan 8.370 nan 0.000 0.478 352 F N 1.108 121.052 119.950 -0.010 0.000 2.069 352 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 352 F C 2.314 178.138 175.800 0.041 0.000 1.113 352 F CA 1.476 59.485 58.000 0.015 0.000 1.214 352 F CB -0.302 38.688 39.000 -0.017 0.000 0.978 352 F HN -0.147 nan 8.300 nan 0.000 0.474 353 M N -0.144 119.519 119.600 0.105 0.000 2.159 353 M HA -0.182 4.297 4.480 -0.001 0.000 0.263 353 M C 2.303 178.582 176.300 -0.035 0.000 1.063 353 M CA 1.882 57.196 55.300 0.023 0.000 1.110 353 M CB -0.530 32.145 32.600 0.126 0.000 1.374 353 M HN 0.366 nan 8.290 nan 0.000 0.411 354 S N -0.305 115.394 115.700 -0.003 0.000 2.453 354 S HA -0.003 4.466 4.470 -0.001 0.000 0.231 354 S C 1.930 176.514 174.600 -0.027 0.000 1.005 354 S CA 0.830 59.028 58.200 -0.004 0.000 0.949 354 S CB -0.933 62.279 63.200 0.020 0.000 0.774 354 S HN 0.523 nan 8.310 nan 0.000 0.510 355 G N 1.887 110.653 108.800 -0.055 0.000 2.404 355 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.215 355 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.215 355 G C 1.563 176.372 174.900 -0.153 0.000 1.174 355 G CA 0.930 45.992 45.100 -0.062 0.000 0.780 355 G HN 0.752 nan 8.290 nan 0.000 0.537 356 V N 0.224 119.973 119.914 -0.275 0.000 2.515 356 V HA -0.008 4.111 4.120 -0.001 0.000 0.250 356 V C 2.529 178.553 176.094 -0.116 0.000 1.058 356 V CA 2.694 64.861 62.300 -0.222 0.000 1.064 356 V CB -0.351 31.320 31.823 -0.253 0.000 0.675 356 V HN 0.227 nan 8.190 nan 0.000 0.461 357 K N 0.258 120.602 120.400 -0.092 0.000 2.057 357 K HA -0.090 4.230 4.320 -0.001 0.000 0.207 357 K C 1.881 178.444 176.600 -0.063 0.000 1.049 357 K CA 2.009 58.253 56.287 -0.072 0.000 0.931 357 K CB -1.003 31.470 32.500 -0.044 0.000 0.714 357 K HN 0.482 nan 8.250 nan 0.000 0.440 358 L N 0.645 121.845 121.223 -0.038 0.000 2.141 358 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 358 L C 2.038 178.902 176.870 -0.010 0.000 1.094 358 L CA 1.595 56.430 54.840 -0.009 0.000 0.763 358 L CB -0.817 41.247 42.059 0.009 0.000 0.908 358 L HN 0.114 nan 8.230 nan 0.000 0.437 359 S N -1.739 113.936 115.700 -0.040 0.000 2.414 359 S HA 0.059 4.529 4.470 -0.001 0.000 0.227 359 S C 0.923 175.475 174.600 -0.080 0.000 1.022 359 S CA 0.327 58.502 58.200 -0.041 0.000 0.958 359 S CB 0.263 63.420 63.200 -0.072 0.000 0.797 359 S HN 0.147 nan 8.310 nan 0.000 0.493 360 V N 3.108 122.942 119.914 -0.132 0.000 2.326 360 V HA 0.231 4.350 4.120 -0.001 0.000 0.254 360 V C -2.037 173.883 176.094 -0.290 0.000 1.022 360 V CA -1.524 60.619 62.300 -0.262 0.000 1.074 360 V CB 0.624 32.287 31.823 -0.266 0.000 1.305 360 V HN 0.141 nan 8.190 nan 0.000 0.506 361 P HA -0.213 nan 4.420 nan 0.000 0.216 361 P C 1.322 178.227 177.300 -0.658 0.000 1.154 361 P CA 1.634 64.585 63.100 -0.249 0.000 0.865 361 P CB -0.076 31.633 31.700 0.016 0.000 0.789 362 H N -1.408 117.330 119.070 -0.553 0.000 2.543 362 H HA 0.460 5.016 4.556 -0.001 0.000 0.269 362 H C 0.291 175.426 175.328 -0.322 0.000 1.005 362 H CA -0.051 55.668 56.048 -0.548 0.000 1.146 362 H CB -0.652 28.979 29.762 -0.219 0.000 1.353 362 H HN -0.006 nan 8.280 nan 0.000 0.595 363 A N 2.100 124.578 122.820 -0.569 0.000 2.310 363 A HA 0.324 4.644 4.320 -0.001 0.000 0.299 363 A C 0.248 177.688 177.584 -0.240 0.000 1.147 363 A CA -0.650 51.151 52.037 -0.393 0.000 0.818 363 A CB 0.671 19.441 19.000 -0.383 0.000 1.096 363 A HN 0.623 nan 8.150 nan 0.000 0.495 364 N N 1.287 119.889 118.700 -0.164 0.000 2.322 364 N HA 0.126 4.865 4.740 -0.001 0.000 0.270 364 N C -0.050 175.409 175.510 -0.085 0.000 1.286 364 N CA -0.208 52.778 53.050 -0.106 0.000 0.948 364 N CB 0.114 38.556 38.487 -0.075 0.000 1.164 364 N HN 0.467 nan 8.380 nan 0.000 0.551 365 D N -0.990 119.379 120.400 -0.051 0.000 2.117 365 D HA -0.108 4.532 4.640 -0.001 0.000 0.197 365 D C 1.704 177.997 176.300 -0.011 0.000 0.987 365 D CA 0.724 54.708 54.000 -0.027 0.000 0.829 365 D CB -0.300 40.493 40.800 -0.013 0.000 0.961 365 D HN 0.440 nan 8.370 nan 0.000 0.460 366 L N 0.619 121.833 121.223 -0.015 0.000 2.042 366 L HA -0.034 4.306 4.340 -0.001 0.000 0.210 366 L C 2.167 179.045 176.870 0.013 0.000 1.076 366 L CA 2.113 56.955 54.840 0.004 0.000 0.749 366 L CB -0.940 41.114 42.059 -0.009 0.000 0.893 366 L HN 0.091 nan 8.230 nan 0.000 0.432 367 G N -0.585 108.194 108.800 -0.035 0.000 2.421 367 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.216 367 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.216 367 G C 1.599 176.496 174.900 -0.005 0.000 1.171 367 G CA 1.076 46.144 45.100 -0.053 0.000 0.775 367 G HN 0.437 nan 8.290 nan 0.000 0.543 368 L N 0.393 121.603 121.223 -0.021 0.000 2.083 368 L HA -0.067 4.272 4.340 -0.001 0.000 0.209 368 L C 2.480 179.396 176.870 0.077 0.000 1.083 368 L CA 1.120 55.965 54.840 0.009 0.000 0.752 368 L CB -0.360 41.691 42.059 -0.014 0.000 0.899 368 L HN 0.088 nan 8.230 nan 0.000 0.433 369 D N 0.125 120.574 120.400 0.081 0.000 2.144 369 D HA -0.131 4.508 4.640 -0.001 0.000 0.200 369 D C 2.243 178.637 176.300 0.157 0.000 0.978 369 D CA 1.422 55.493 54.000 0.119 0.000 0.833 369 D CB -0.011 40.842 40.800 0.088 0.000 0.961 369 D HN 0.297 nan 8.370 nan 0.000 0.470 370 A N 0.534 123.459 122.820 0.176 0.000 1.877 370 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 370 A C 2.534 180.266 177.584 0.246 0.000 1.186 370 A CA 1.378 53.580 52.037 0.275 0.000 0.620 370 A CB -0.825 18.432 19.000 0.428 0.000 0.822 370 A HN 0.139 nan 8.150 nan 0.000 0.443 371 V N -0.250 119.827 119.914 0.271 0.000 2.255 371 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 371 V C 2.761 178.987 176.094 0.221 0.000 1.051 371 V CA 2.571 64.990 62.300 0.199 0.000 1.018 371 V CB -1.398 30.548 31.823 0.206 0.000 0.641 371 V HN 0.613 nan 8.190 nan 0.000 0.445 372 T N 0.543 115.242 114.554 0.241 0.000 2.684 372 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 372 T C 1.906 176.801 174.700 0.325 0.000 1.036 372 T CA 2.107 64.418 62.100 0.352 0.000 1.148 372 T CB -0.424 68.650 68.868 0.344 0.000 0.863 372 T HN 0.339 nan 8.240 nan 0.000 0.436 373 L N 1.156 122.546 121.223 0.279 0.000 2.042 373 L HA -0.088 4.251 4.340 -0.001 0.000 0.210 373 L C 2.462 179.401 176.870 0.115 0.000 1.076 373 L CA 1.844 56.869 54.840 0.308 0.000 0.749 373 L CB -0.698 41.474 42.059 0.188 0.000 0.893 373 L HN 0.128 nan 8.230 nan 0.000 0.432 374 Q N -1.514 118.237 119.800 -0.082 0.000 2.291 374 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 374 Q C 0.964 176.700 176.000 -0.440 0.000 0.976 374 Q CA 1.763 57.327 55.803 -0.398 0.000 0.875 374 Q CB -0.135 28.029 28.738 -0.958 0.000 0.927 374 Q HN 0.720 nan 8.270 nan 0.000 0.450 375 Y N -1.530 118.735 120.300 -0.059 0.000 2.557 375 Y HA 0.329 4.879 4.550 -0.001 0.000 0.247 375 Y C -0.235 175.612 175.900 -0.089 0.000 1.164 375 Y CA -0.261 57.845 58.100 0.011 0.000 1.218 375 Y CB 1.100 39.668 38.460 0.180 0.000 1.210 375 Y HN -0.192 nan 8.280 nan 0.000 0.529 376 T N 0.845 115.325 114.554 -0.123 0.000 2.795 376 T HA 0.092 4.442 4.350 -0.001 0.000 0.282 376 T C -0.795 173.567 174.700 -0.562 0.000 0.980 376 T CA -0.622 61.163 62.100 -0.525 0.000 1.012 376 T CB 0.996 69.294 68.868 -0.950 0.000 0.936 376 T HN -0.008 nan 8.240 nan 0.000 0.457 377 D N 2.024 122.129 120.400 -0.493 0.000 2.393 377 D HA 0.101 4.741 4.640 -0.001 0.000 0.232 377 D C 0.000 176.052 176.300 -0.413 0.000 1.192 377 D CA -0.720 53.091 54.000 -0.316 0.000 0.882 377 D CB 0.410 41.091 40.800 -0.200 0.000 1.038 377 D HN 0.601 nan 8.370 nan 0.000 0.499 378 W N 3.077 124.338 121.300 -0.065 0.000 2.961 378 W HA 0.060 4.719 4.660 -0.001 0.000 0.240 378 W C 1.895 178.385 176.519 -0.048 0.000 1.305 378 W CA -0.074 57.237 57.345 -0.057 0.000 1.465 378 W CB -0.070 29.361 29.460 -0.048 0.000 1.135 378 W HN 0.403 nan 8.180 nan 0.000 0.688 379 M N -0.787 118.857 119.600 0.073 0.000 2.502 379 M HA 0.050 4.529 4.480 -0.001 0.000 0.243 379 M C 0.132 176.432 176.300 -0.000 0.000 1.130 379 M CA 1.049 56.379 55.300 0.049 0.000 1.055 379 M CB 0.260 32.875 32.600 0.026 0.000 1.457 379 M HN -0.236 nan 8.290 nan 0.000 0.488 380 D N 0.221 120.585 120.400 -0.060 0.000 3.256 380 D HA -0.000 4.639 4.640 -0.001 0.000 0.332 380 D C 0.290 176.487 176.300 -0.173 0.000 1.327 380 D CA 0.048 53.994 54.000 -0.089 0.000 0.735 380 D CB 0.269 41.020 40.800 -0.080 0.000 1.280 380 D HN 0.211 nan 8.370 nan 0.000 0.572 381 D N -0.798 119.484 120.400 -0.197 0.000 2.350 381 D HA -0.123 4.517 4.640 -0.001 0.000 0.216 381 D C 0.384 176.528 176.300 -0.260 0.000 0.968 381 D CA 0.281 54.077 54.000 -0.341 0.000 0.894 381 D CB 0.179 40.763 40.800 -0.359 0.000 0.909 381 D HN 0.154 nan 8.370 nan 0.000 0.520 382 N N 0.732 119.339 118.700 -0.155 0.000 2.273 382 N HA -0.020 4.720 4.740 -0.001 0.000 0.231 382 N C -0.250 175.190 175.510 -0.117 0.000 1.134 382 N CA -0.204 52.774 53.050 -0.120 0.000 0.856 382 N CB 0.138 38.584 38.487 -0.069 0.000 1.068 382 N HN 0.145 nan 8.380 nan 0.000 0.510 383 N N 0.747 119.362 118.700 -0.141 0.000 2.406 383 N HA 0.090 4.830 4.740 -0.001 0.000 0.251 383 N C 1.255 176.691 175.510 -0.123 0.000 1.069 383 N CA -0.045 52.937 53.050 -0.114 0.000 0.947 383 N CB 1.094 39.516 38.487 -0.109 0.000 1.111 383 N HN 0.144 nan 8.380 nan 0.000 0.497 384 G N 4.152 112.890 108.800 -0.104 0.000 2.432 384 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.219 384 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.219 384 G C 1.443 176.283 174.900 -0.099 0.000 1.135 384 G CA 0.414 45.446 45.100 -0.114 0.000 0.767 384 G HN 0.612 nan 8.290 nan 0.000 0.550 385 I N 0.774 121.305 120.570 -0.066 0.000 2.202 385 I HA -0.035 4.135 4.170 -0.001 0.000 0.242 385 I C 2.554 178.669 176.117 -0.003 0.000 1.091 385 I CA 1.079 62.365 61.300 -0.024 0.000 1.368 385 I CB -0.981 37.019 38.000 -0.001 0.000 1.058 385 I HN 0.166 nan 8.210 nan 0.000 0.410 386 K N 0.672 121.050 120.400 -0.037 0.000 2.097 386 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 386 K C 1.844 178.413 176.600 -0.053 0.000 1.049 386 K CA 1.204 57.464 56.287 -0.045 0.000 0.933 386 K CB -0.049 32.389 32.500 -0.104 0.000 0.717 386 K HN 0.293 nan 8.250 nan 0.000 0.442 387 N N 0.575 119.212 118.700 -0.105 0.000 2.188 387 N HA -0.145 4.595 4.740 -0.001 0.000 0.184 387 N C 1.671 177.306 175.510 0.209 0.000 1.018 387 N CA 0.899 53.915 53.050 -0.057 0.000 0.858 387 N CB -0.135 38.285 38.487 -0.111 0.000 0.989 387 N HN 0.192 nan 8.380 nan 0.000 0.426 388 R N 1.031 121.582 120.500 0.085 0.000 2.066 388 R HA -0.089 4.250 4.340 -0.001 0.000 0.232 388 R C 0.741 177.214 176.300 0.289 0.000 1.131 388 R CA 1.494 57.677 56.100 0.139 0.000 0.955 388 R CB -0.003 30.274 30.300 -0.038 0.000 0.851 388 R HN 0.058 nan 8.270 nan 0.000 0.432 389 D N -0.579 119.952 120.400 0.218 0.000 2.178 389 D HA -0.067 4.573 4.640 -0.001 0.000 0.202 389 D C 1.689 178.141 176.300 0.253 0.000 0.974 389 D CA 1.346 55.489 54.000 0.238 0.000 0.841 389 D CB -0.428 40.481 40.800 0.183 0.000 0.953 389 D HN 0.502 nan 8.370 nan 0.000 0.478 390 G N 0.628 109.591 108.800 0.272 0.000 2.402 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G C 1.541 176.602 174.900 0.268 0.000 1.162 390 G CA 0.205 45.512 45.100 0.345 0.000 0.777 390 G HN 0.166 nan 8.290 nan 0.000 0.539 391 L N 1.045 122.460 121.223 0.320 0.000 2.056 391 L HA -0.003 4.336 4.340 -0.001 0.000 0.207 391 L C 2.346 179.273 176.870 0.095 0.000 1.078 391 L CA 1.664 56.583 54.840 0.131 0.000 0.749 391 L CB -0.620 41.587 42.059 0.247 0.000 0.901 391 L HN 0.180 nan 8.230 nan 0.000 0.433 392 D N -0.490 120.028 120.400 0.196 0.000 2.104 392 D HA -0.214 4.425 4.640 -0.001 0.000 0.194 392 D C 1.648 178.019 176.300 0.120 0.000 0.994 392 D CA 1.375 55.484 54.000 0.182 0.000 0.830 392 D CB 0.103 41.062 40.800 0.266 0.000 0.959 392 D HN 0.297 nan 8.370 nan 0.000 0.452 393 D N -0.010 120.470 120.400 0.134 0.000 2.117 393 D HA -0.106 4.534 4.640 -0.001 0.000 0.197 393 D C 2.375 178.648 176.300 -0.045 0.000 0.987 393 D CA 0.406 54.486 54.000 0.134 0.000 0.829 393 D CB -0.275 40.708 40.800 0.306 0.000 0.961 393 D HN 0.358 nan 8.370 nan 0.000 0.460 394 I N 0.591 120.978 120.570 -0.305 0.000 2.118 394 I HA -0.274 3.895 4.170 -0.001 0.000 0.241 394 I C 2.478 178.437 176.117 -0.263 0.000 1.070 394 I CA 0.817 61.867 61.300 -0.417 0.000 1.327 394 I CB -0.224 37.542 38.000 -0.391 0.000 1.034 394 I HN -0.104 nan 8.210 nan 0.000 0.405 395 V N 0.879 120.696 119.914 -0.162 0.000 2.295 395 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 395 V C 2.533 178.489 176.094 -0.231 0.000 1.049 395 V CA 2.264 64.473 62.300 -0.151 0.000 1.024 395 V CB -1.469 30.343 31.823 -0.018 0.000 0.648 395 V HN 0.602 nan 8.190 nan 0.000 0.447 396 G N -0.420 108.312 108.800 -0.112 0.000 2.404 396 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.215 396 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.215 396 G C 1.239 176.044 174.900 -0.159 0.000 1.174 396 G CA 0.960 46.005 45.100 -0.092 0.000 0.780 396 G HN 0.501 nan 8.290 nan 0.000 0.537 397 D N -0.150 120.166 120.400 -0.140 0.000 2.097 397 D HA -0.102 4.538 4.640 -0.001 0.000 0.195 397 D C 2.076 178.065 176.300 -0.518 0.000 0.989 397 D CA 1.373 55.273 54.000 -0.167 0.000 0.827 397 D CB -0.423 40.414 40.800 0.061 0.000 0.966 397 D HN 0.458 nan 8.370 nan 0.000 0.456 398 H N 0.664 119.127 119.070 -1.011 0.000 2.363 398 H HA 0.063 4.619 4.556 -0.001 0.000 0.301 398 H C 1.519 176.470 175.328 -0.629 0.000 1.074 398 H CA 1.554 56.890 56.048 -1.187 0.000 1.354 398 H CB 0.109 28.920 29.762 -1.585 0.000 1.397 398 H HN -0.018 nan 8.280 nan 0.000 0.516 399 N N -0.703 117.484 118.700 -0.854 0.000 2.409 399 N HA -0.003 4.737 4.740 -0.001 0.000 0.174 399 N C 1.191 176.426 175.510 -0.458 0.000 1.037 399 N CA 1.077 53.594 53.050 -0.889 0.000 0.898 399 N CB 1.015 38.453 38.487 -1.747 0.000 1.010 399 N HN 0.264 nan 8.380 nan 0.000 0.445 400 V N 0.529 120.241 119.914 -0.338 0.000 3.134 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.222 400 V C 2.072 178.137 176.094 -0.049 0.000 1.247 400 V CA 0.000 62.252 62.300 -0.081 0.000 1.281 400 V CB 0.116 31.954 31.823 0.025 0.000 1.169 400 V HN -0.055 nan 8.190 nan 0.000 0.512 401 I N 0.520 121.068 120.570 -0.037 0.000 2.113 401 I HA -0.270 3.900 4.170 -0.001 0.000 0.238 401 I C 2.563 178.690 176.117 0.017 0.000 1.070 401 I CA 1.875 63.187 61.300 0.020 0.000 1.332 401 I CB -0.475 37.575 38.000 0.083 0.000 1.044 401 I HN 0.376 nan 8.210 nan 0.000 0.402 402 c N 0.685 119.285 118.600 0.000 0.000 2.440 402 c HA -0.040 4.529 4.570 -0.001 0.000 0.278 402 c C 0.240 174.363 174.090 0.056 0.000 1.295 402 c CA 0.653 57.026 56.329 0.074 0.000 1.738 402 c CB -1.900 40.702 42.510 0.154 0.000 1.987 402 c HN 0.372 nan 8.230 nan 0.000 0.492 403 P HA -0.103 nan 4.420 nan 0.000 0.216 403 P C 1.768 179.099 177.300 0.052 0.000 1.153 403 P CA 1.102 64.184 63.100 -0.031 0.000 0.848 403 P CB -0.217 31.378 31.700 -0.176 0.000 0.787 404 L N -1.783 119.446 121.223 0.011 0.000 2.083 404 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 404 L C 2.096 179.011 176.870 0.075 0.000 1.083 404 L CA 1.676 56.536 54.840 0.033 0.000 0.752 404 L CB -0.542 41.506 42.059 -0.018 0.000 0.899 404 L HN -0.108 nan 8.230 nan 0.000 0.433 405 M N -1.053 118.585 119.600 0.063 0.000 2.213 405 M HA -0.218 4.262 4.480 -0.001 0.000 0.263 405 M C 2.205 178.579 176.300 0.122 0.000 1.062 405 M CA 1.602 56.941 55.300 0.066 0.000 1.105 405 M CB -1.529 31.127 32.600 0.094 0.000 1.385 405 M HN 0.441 nan 8.290 nan 0.000 0.417 406 H N -0.322 118.793 119.070 0.075 0.000 2.363 406 H HA -0.136 4.420 4.556 -0.001 0.000 0.301 406 H C 1.821 177.199 175.328 0.083 0.000 1.074 406 H CA 1.714 57.812 56.048 0.082 0.000 1.354 406 H CB -0.252 29.554 29.762 0.074 0.000 1.397 406 H HN 0.232 nan 8.280 nan 0.000 0.516 407 F N 0.042 119.951 119.950 -0.068 0.000 2.102 407 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 407 F C 2.449 178.169 175.800 -0.132 0.000 1.105 407 F CA 1.498 59.413 58.000 -0.142 0.000 1.239 407 F CB -0.929 37.994 39.000 -0.129 0.000 0.991 407 F HN 0.122 nan 8.300 nan 0.000 0.474 408 V N 1.142 120.972 119.914 -0.140 0.000 2.407 408 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 408 V C 2.152 178.127 176.094 -0.199 0.000 1.055 408 V CA 2.478 64.594 62.300 -0.307 0.000 1.049 408 V CB -0.654 30.905 31.823 -0.440 0.000 0.662 408 V HN 0.450 nan 8.190 nan 0.000 0.455 409 N N -0.212 118.447 118.700 -0.068 0.000 2.216 409 N HA -0.087 4.653 4.740 -0.001 0.000 0.183 409 N C 1.794 177.292 175.510 -0.020 0.000 1.017 409 N CA 0.999 54.098 53.050 0.082 0.000 0.861 409 N CB -0.159 38.402 38.487 0.122 0.000 0.986 409 N HN 0.426 nan 8.380 nan 0.000 0.428 410 K N 0.404 120.698 120.400 -0.177 0.000 2.097 410 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 410 K C 1.860 178.446 176.600 -0.023 0.000 1.050 410 K CA 0.558 56.774 56.287 -0.118 0.000 0.938 410 K CB -0.523 31.834 32.500 -0.239 0.000 0.718 410 K HN 0.290 nan 8.250 nan 0.000 0.442 411 Y N 2.175 122.240 120.300 -0.392 0.000 2.163 411 Y HA -0.196 4.354 4.550 -0.001 0.000 0.288 411 Y C 2.253 178.166 175.900 0.021 0.000 1.136 411 Y CA 1.794 59.666 58.100 -0.380 0.000 1.147 411 Y CB -0.322 37.591 38.460 -0.912 0.000 0.987 411 Y HN -0.006 nan 8.280 nan 0.000 0.509 412 T N 0.475 115.096 114.554 0.112 0.000 2.849 412 T HA -0.248 4.102 4.350 -0.001 0.000 0.270 412 T C 1.813 176.535 174.700 0.036 0.000 1.066 412 T CA 1.721 63.913 62.100 0.153 0.000 1.130 412 T CB -0.277 68.788 68.868 0.329 0.000 0.864 412 T HN 0.299 nan 8.240 nan 0.000 0.481 413 K N 0.029 120.426 120.400 -0.005 0.000 2.103 413 K HA -0.077 4.243 4.320 -0.001 0.000 0.207 413 K C 1.230 177.589 176.600 -0.401 0.000 1.048 413 K CA 1.517 57.683 56.287 -0.201 0.000 0.930 413 K CB -0.131 32.227 32.500 -0.237 0.000 0.716 413 K HN 0.374 nan 8.250 nan 0.000 0.444 414 F N -0.343 119.546 119.950 -0.101 0.000 2.724 414 F HA 0.296 4.823 4.527 -0.001 0.000 0.306 414 F C 1.389 177.066 175.800 -0.206 0.000 1.100 414 F CA -0.206 57.689 58.000 -0.175 0.000 1.255 414 F CB 0.194 39.010 39.000 -0.307 0.000 1.072 414 F HN 0.005 nan 8.300 nan 0.000 0.589 415 G N -0.106 108.629 108.800 -0.108 0.000 2.611 415 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.273 415 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.273 415 G C 0.368 175.311 174.900 0.070 0.000 1.305 415 G CA -0.339 44.717 45.100 -0.074 0.000 1.010 415 G HN 0.274 nan 8.290 nan 0.000 0.509 416 N N -0.556 118.237 118.700 0.155 0.000 2.235 416 N HA 0.287 5.027 4.740 -0.001 0.000 0.231 416 N C 0.246 175.832 175.510 0.127 0.000 1.177 416 N CA 0.469 53.588 53.050 0.115 0.000 0.874 416 N CB 0.415 38.965 38.487 0.105 0.000 1.097 416 N HN 0.881 nan 8.380 nan 0.000 0.518 417 G N 0.531 109.419 108.800 0.146 0.000 2.220 417 G HA2 0.012 3.971 3.960 -0.001 0.000 0.232 417 G HA3 0.012 3.971 3.960 -0.001 0.000 0.232 417 G C -1.296 173.632 174.900 0.046 0.000 1.680 417 G CA -0.755 44.387 45.100 0.069 0.000 0.922 417 G HN 0.020 nan 8.290 nan 0.000 0.723 418 T N 1.530 115.989 114.554 -0.159 0.000 2.861 418 T HA 0.692 5.042 4.350 -0.001 0.000 0.287 418 T C -1.257 173.146 174.700 -0.496 0.000 1.003 418 T CA -0.381 61.622 62.100 -0.162 0.000 0.977 418 T CB 1.393 70.274 68.868 0.021 0.000 0.996 418 T HN 0.443 nan 8.240 nan 0.000 0.448 419 Y N 1.951 122.156 120.300 -0.159 0.000 2.338 419 Y HA 0.647 5.197 4.550 -0.001 0.000 0.333 419 Y C -0.524 175.410 175.900 0.057 0.000 0.968 419 Y CA -1.130 56.821 58.100 -0.248 0.000 1.123 419 Y CB 1.481 39.311 38.460 -1.050 0.000 1.165 419 Y HN 0.441 nan 8.280 nan 0.000 0.452 420 L N 5.970 127.537 121.223 0.573 0.000 2.322 420 L HA 0.629 4.968 4.340 -0.001 0.000 0.281 420 L C -1.239 176.068 176.870 0.728 0.000 1.014 420 L CA -0.959 54.153 54.840 0.452 0.000 0.815 420 L CB 0.697 42.861 42.059 0.174 0.000 1.247 420 L HN 0.531 nan 8.230 nan 0.000 0.421 421 Y N 3.214 123.810 120.300 0.493 0.000 2.570 421 Y HA 0.718 5.268 4.550 -0.001 0.000 0.345 421 Y C -1.721 174.420 175.900 0.401 0.000 1.014 421 Y CA -2.022 56.303 58.100 0.376 0.000 1.063 421 Y CB 1.291 39.924 38.460 0.288 0.000 1.272 421 Y HN 0.535 nan 8.280 nan 0.000 0.477 422 F N 4.496 124.754 119.950 0.514 0.000 2.500 422 F HA 0.469 4.996 4.527 -0.001 0.000 0.349 422 F C -1.830 174.271 175.800 0.502 0.000 1.127 422 F CA -1.761 56.474 58.000 0.391 0.000 0.998 422 F CB 0.680 39.876 39.000 0.326 0.000 1.237 422 F HN 0.575 nan 8.300 nan 0.000 0.439 423 F N 8.240 128.263 119.950 0.122 0.000 2.413 423 F HA 0.304 4.831 4.527 -0.001 0.000 0.359 423 F C 0.176 175.861 175.800 -0.191 0.000 1.122 423 F CA -0.289 57.735 58.000 0.041 0.000 1.160 423 F CB 0.517 39.602 39.000 0.141 0.000 1.146 423 F HN 0.552 nan 8.300 nan 0.000 0.514 424 N N 3.555 121.933 118.700 -0.537 0.000 2.517 424 N HA 0.071 4.811 4.740 -0.001 0.000 0.285 424 N C -1.248 174.043 175.510 -0.366 0.000 1.528 424 N CA -0.480 52.358 53.050 -0.353 0.000 0.892 424 N CB -0.689 37.780 38.487 -0.031 0.000 1.356 424 N HN 0.628 nan 8.380 nan 0.000 0.495 425 H N 0.738 119.300 119.070 -0.846 0.000 2.519 425 H HA 0.499 5.055 4.556 -0.001 0.000 0.316 425 H C -0.329 174.858 175.328 -0.235 0.000 1.065 425 H CA -0.585 55.145 56.048 -0.531 0.000 1.264 425 H CB 1.003 30.356 29.762 -0.681 0.000 1.413 425 H HN 0.128 nan 8.280 nan 0.000 0.465 426 R N 4.192 124.300 120.500 -0.654 0.000 2.210 426 R HA 0.475 4.814 4.340 -0.001 0.000 0.338 426 R C -0.759 175.292 176.300 -0.415 0.000 1.062 426 R CA -0.258 55.638 56.100 -0.341 0.000 0.902 426 R CB 0.020 30.190 30.300 -0.216 0.000 1.050 426 R HN 0.731 nan 8.270 nan 0.000 0.461 427 A N 3.652 126.493 122.820 0.034 0.000 2.546 427 A HA 0.078 4.398 4.320 -0.001 0.000 0.243 427 A C 1.282 178.927 177.584 0.102 0.000 1.063 427 A CA 0.517 52.729 52.037 0.292 0.000 0.757 427 A CB 0.007 19.299 19.000 0.487 0.000 0.991 427 A HN 1.078 nan 8.150 nan 0.000 0.503 428 S N 1.882 117.675 115.700 0.154 0.000 2.419 428 S HA -0.203 4.267 4.470 -0.001 0.000 0.235 428 S C 0.922 175.497 174.600 -0.043 0.000 1.019 428 S CA 1.372 59.602 58.200 0.050 0.000 0.982 428 S CB -0.478 62.777 63.200 0.091 0.000 0.789 428 S HN 0.949 nan 8.310 nan 0.000 0.490 429 N N 0.750 119.379 118.700 -0.119 0.000 2.273 429 N HA 0.210 4.949 4.740 -0.001 0.000 0.231 429 N C -0.029 175.383 175.510 -0.163 0.000 1.134 429 N CA -0.411 52.520 53.050 -0.197 0.000 0.856 429 N CB -0.346 37.910 38.487 -0.384 0.000 1.068 429 N HN 0.298 nan 8.380 nan 0.000 0.510 430 L N 2.009 123.179 121.223 -0.088 0.000 2.540 430 L HA -0.010 4.330 4.340 -0.001 0.000 0.276 430 L C 1.404 178.192 176.870 -0.135 0.000 1.212 430 L CA 0.394 55.184 54.840 -0.084 0.000 0.893 430 L CB 1.012 43.036 42.059 -0.057 0.000 1.138 430 L HN 0.206 nan 8.230 nan 0.000 0.491 431 V N 1.574 121.349 119.914 -0.233 0.000 3.406 431 V HA 0.033 4.153 4.120 -0.001 0.000 0.263 431 V C 0.664 176.665 176.094 -0.155 0.000 1.172 431 V CA -0.437 61.705 62.300 -0.262 0.000 1.140 431 V CB -0.818 30.708 31.823 -0.495 0.000 0.784 431 V HN 0.636 nan 8.190 nan 0.000 0.467 432 W N 1.879 123.116 121.300 -0.104 0.000 2.161 432 W HA 0.506 5.166 4.660 -0.001 0.000 0.344 432 W C -1.662 174.710 176.519 -0.245 0.000 1.262 432 W CA -2.178 55.064 57.345 -0.172 0.000 1.270 432 W CB -0.072 29.142 29.460 -0.409 0.000 1.126 432 W HN -0.009 nan 8.180 nan 0.000 0.598 433 P HA -0.099 nan 4.420 nan 0.000 0.269 433 P C 0.249 177.436 177.300 -0.189 0.000 1.217 433 P CA 0.376 63.415 63.100 -0.102 0.000 0.783 433 P CB 0.873 32.532 31.700 -0.069 0.000 0.898 434 E N 1.337 121.509 120.200 -0.046 0.000 2.153 434 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 434 E C 1.700 178.312 176.600 0.019 0.000 0.988 434 E CA 0.978 57.369 56.400 -0.015 0.000 0.811 434 E CB -0.226 29.504 29.700 0.050 0.000 0.746 434 E HN 0.644 nan 8.360 nan 0.000 0.466 435 W N -0.139 121.190 121.300 0.048 0.000 2.421 435 W HA -0.148 4.511 4.660 -0.001 0.000 0.270 435 W C 1.273 177.833 176.519 0.069 0.000 1.233 435 W CA 0.361 57.747 57.345 0.067 0.000 1.226 435 W CB -0.608 28.905 29.460 0.088 0.000 1.121 435 W HN 0.018 nan 8.180 nan 0.000 0.579 436 M N 1.305 120.520 119.600 -0.642 0.000 2.492 436 M HA 0.128 4.607 4.480 -0.001 0.000 0.262 436 M C 1.759 177.917 176.300 -0.237 0.000 1.090 436 M CA 1.560 56.458 55.300 -0.671 0.000 1.110 436 M CB -0.696 31.279 32.600 -1.042 0.000 1.407 436 M HN 0.174 nan 8.290 nan 0.000 0.470 437 G N 0.553 109.275 108.800 -0.130 0.000 2.550 437 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.277 437 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.277 437 G C -0.206 174.664 174.900 -0.051 0.000 1.190 437 G CA -0.265 44.811 45.100 -0.040 0.000 0.971 437 G HN 0.199 nan 8.290 nan 0.000 0.559 438 V N 2.020 121.944 119.914 0.018 0.000 2.284 438 V HA 0.403 4.523 4.120 -0.001 0.000 0.260 438 V C 1.029 177.207 176.094 0.141 0.000 1.084 438 V CA -0.134 62.222 62.300 0.094 0.000 0.894 438 V CB 0.149 32.028 31.823 0.093 0.000 1.119 438 V HN 0.534 nan 8.190 nan 0.000 0.484 439 I N 2.920 123.548 120.570 0.095 0.000 2.696 439 I HA 0.123 4.292 4.170 -0.001 0.000 0.284 439 I C 0.893 177.249 176.117 0.399 0.000 1.129 439 I CA -0.461 60.907 61.300 0.113 0.000 1.410 439 I CB 0.198 38.041 38.000 -0.262 0.000 1.399 439 I HN 0.550 nan 8.210 nan 0.000 0.579 440 H N 4.287 123.530 119.070 0.289 0.000 3.187 440 H HA 0.173 4.728 4.556 -0.001 0.000 0.286 440 H C 0.936 176.458 175.328 0.323 0.000 0.944 440 H CA 1.111 57.350 56.048 0.319 0.000 1.429 440 H CB 0.051 30.042 29.762 0.382 0.000 1.483 440 H HN 0.762 nan 8.280 nan 0.000 0.555 441 G N 3.665 112.465 108.800 0.000 0.000 2.195 441 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.224 441 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.224 441 G C 0.551 175.449 174.900 -0.003 0.000 0.990 441 G CA 0.279 45.338 45.100 -0.068 0.000 0.639 441 G HN 0.617 nan 8.290 nan 0.000 0.514 442 Y N 1.536 121.986 120.300 0.249 0.000 2.470 442 Y HA 0.241 4.791 4.550 -0.001 0.000 0.284 442 Y C 2.292 178.300 175.900 0.180 0.000 1.188 442 Y CA 0.952 59.225 58.100 0.288 0.000 1.269 442 Y CB 0.443 39.091 38.460 0.314 0.000 1.094 442 Y HN 0.490 nan 8.280 nan 0.000 0.518 443 E N 0.082 120.232 120.200 -0.084 0.000 2.400 443 E HA -0.044 4.305 4.350 -0.001 0.000 0.195 443 E C 1.598 178.143 176.600 -0.093 0.000 1.012 443 E CA 0.562 56.621 56.400 -0.568 0.000 0.875 443 E CB -0.413 28.657 29.700 -1.051 0.000 0.859 443 E HN 0.523 nan 8.360 nan 0.000 0.498 444 I N 2.722 123.330 120.570 0.064 0.000 2.163 444 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 444 I C 2.663 178.843 176.117 0.106 0.000 1.085 444 I CA 2.173 63.568 61.300 0.158 0.000 1.347 444 I CB -0.545 37.600 38.000 0.243 0.000 1.044 444 I HN 0.215 nan 8.210 nan 0.000 0.408 445 E N 1.020 121.227 120.200 0.013 0.000 2.171 445 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 445 E C 2.025 178.472 176.600 -0.256 0.000 0.997 445 E CA 1.656 57.985 56.400 -0.119 0.000 0.810 445 E CB -0.584 29.047 29.700 -0.116 0.000 0.738 445 E HN 0.454 nan 8.360 nan 0.000 0.467 446 F N 0.897 120.772 119.950 -0.126 0.000 2.335 446 F HA -0.002 4.525 4.527 -0.001 0.000 0.296 446 F C 2.321 177.960 175.800 -0.268 0.000 1.091 446 F CA 0.476 58.363 58.000 -0.189 0.000 1.399 446 F CB -0.006 38.933 39.000 -0.102 0.000 1.067 446 F HN -0.125 nan 8.300 nan 0.000 0.520 447 V N -1.130 118.712 119.914 -0.120 0.000 2.548 447 V HA -0.245 3.875 4.120 -0.001 0.000 0.249 447 V C 1.606 177.515 176.094 -0.309 0.000 1.055 447 V CA 1.540 63.633 62.300 -0.345 0.000 1.065 447 V CB -0.574 31.087 31.823 -0.270 0.000 0.681 447 V HN 0.198 nan 8.190 nan 0.000 0.462 448 F N 0.421 120.241 119.950 -0.218 0.000 2.765 448 F HA 0.397 4.924 4.527 -0.001 0.000 0.302 448 F C 1.831 177.535 175.800 -0.160 0.000 1.111 448 F CA 0.620 58.515 58.000 -0.174 0.000 1.359 448 F CB -0.188 38.695 39.000 -0.196 0.000 1.097 448 F HN 0.254 nan 8.300 nan 0.000 0.577 449 G N 0.132 108.841 108.800 -0.151 0.000 2.153 449 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.252 449 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.252 449 G C 1.158 175.742 174.900 -0.526 0.000 0.994 449 G CA 0.386 45.322 45.100 -0.274 0.000 0.698 449 G HN 0.248 nan 8.290 nan 0.000 0.521 450 L N -0.139 120.750 121.223 -0.557 0.000 2.129 450 L HA -0.070 4.270 4.340 -0.001 0.000 0.212 450 L C 0.116 176.527 176.870 -0.765 0.000 1.087 450 L CA 2.497 56.943 54.840 -0.657 0.000 0.757 450 L CB -1.913 39.897 42.059 -0.415 0.000 0.896 450 L HN 0.214 nan 8.230 nan 0.000 0.434 451 P HA -0.066 nan 4.420 nan 0.000 0.239 451 P C 1.771 178.782 177.300 -0.482 0.000 1.184 451 P CA 0.728 63.161 63.100 -1.110 0.000 0.760 451 P CB 0.098 31.064 31.700 -1.223 0.000 0.884 452 L N -1.597 119.366 121.223 -0.433 0.000 2.509 452 L HA 0.078 4.417 4.340 -0.001 0.000 0.222 452 L C 1.015 177.757 176.870 -0.213 0.000 1.123 452 L CA 0.241 54.924 54.840 -0.261 0.000 0.856 452 L CB -0.187 41.751 42.059 -0.202 0.000 0.985 452 L HN -0.091 nan 8.230 nan 0.000 0.456 453 V N -1.176 118.567 119.914 -0.285 0.000 2.348 453 V HA 0.212 4.332 4.120 -0.001 0.000 0.270 453 V C 1.189 177.237 176.094 -0.078 0.000 1.037 453 V CA -0.576 61.623 62.300 -0.168 0.000 0.872 453 V CB 1.479 33.182 31.823 -0.201 0.000 1.002 453 V HN 0.089 nan 8.190 nan 0.000 0.464 454 K N 4.066 124.439 120.400 -0.045 0.000 2.089 454 K HA -0.185 4.135 4.320 -0.001 0.000 0.210 454 K C 1.690 178.281 176.600 -0.015 0.000 1.048 454 K CA 2.355 58.631 56.287 -0.018 0.000 0.926 454 K CB -0.264 32.225 32.500 -0.018 0.000 0.714 454 K HN 0.905 nan 8.250 nan 0.000 0.448 455 E N 0.106 120.290 120.200 -0.027 0.000 2.267 455 E HA -0.134 4.216 4.350 -0.001 0.000 0.197 455 E C 1.301 177.874 176.600 -0.045 0.000 0.998 455 E CA 0.761 57.140 56.400 -0.035 0.000 0.830 455 E CB -0.192 29.488 29.700 -0.035 0.000 0.751 455 E HN 0.280 nan 8.360 nan 0.000 0.491 456 L N 0.980 122.188 121.223 -0.025 0.000 2.599 456 L HA 0.040 4.379 4.340 -0.001 0.000 0.230 456 L C -0.411 176.387 176.870 -0.120 0.000 1.141 456 L CA 0.026 54.840 54.840 -0.042 0.000 0.877 456 L CB -1.345 40.763 42.059 0.081 0.000 1.009 456 L HN 0.218 nan 8.230 nan 0.000 0.447 457 N N -1.407 117.258 118.700 -0.058 0.000 2.666 457 N HA -0.293 4.447 4.740 -0.001 0.000 0.274 457 N C -0.720 174.707 175.510 -0.138 0.000 1.043 457 N CA 0.665 53.670 53.050 -0.074 0.000 0.782 457 N CB -2.018 36.417 38.487 -0.087 0.000 0.912 457 N HN 0.258 nan 8.380 nan 0.000 0.556 458 Y N -0.438 119.825 120.300 -0.061 0.000 2.545 458 Y HA 0.609 5.158 4.550 -0.001 0.000 0.324 458 Y C 1.622 177.517 175.900 -0.008 0.000 1.220 458 Y CA -0.369 57.713 58.100 -0.030 0.000 1.290 458 Y CB 0.871 39.288 38.460 -0.071 0.000 1.355 458 Y HN 0.388 nan 8.280 nan 0.000 0.516 459 T N -2.070 112.611 114.554 0.212 0.000 2.847 459 T HA 0.475 4.824 4.350 -0.001 0.000 0.279 459 T C 1.077 175.837 174.700 0.100 0.000 0.984 459 T CA -0.203 61.972 62.100 0.125 0.000 0.988 459 T CB 1.198 70.139 68.868 0.122 0.000 1.040 459 T HN 0.733 nan 8.240 nan 0.000 0.528 460 A N 0.752 123.605 122.820 0.055 0.000 1.969 460 A HA -0.037 4.283 4.320 -0.001 0.000 0.218 460 A C 2.266 179.861 177.584 0.019 0.000 1.169 460 A CA 1.083 53.136 52.037 0.027 0.000 0.635 460 A CB -0.663 18.346 19.000 0.015 0.000 0.810 460 A HN 0.916 nan 8.150 nan 0.000 0.445 461 E N 0.580 120.795 120.200 0.026 0.000 2.216 461 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 461 E C 1.378 177.973 176.600 -0.007 0.000 0.988 461 E CA 1.096 57.494 56.400 -0.002 0.000 0.834 461 E CB -0.550 29.144 29.700 -0.010 0.000 0.772 461 E HN 0.771 nan 8.360 nan 0.000 0.479 462 E N 1.073 121.312 120.200 0.065 0.000 2.152 462 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 462 E C 2.050 178.711 176.600 0.103 0.000 0.983 462 E CA 0.877 57.387 56.400 0.183 0.000 0.818 462 E CB 0.042 29.984 29.700 0.404 0.000 0.758 462 E HN 0.400 nan 8.360 nan 0.000 0.467 463 E N 0.770 120.969 120.200 -0.001 0.000 2.047 463 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 463 E C 2.048 178.614 176.600 -0.055 0.000 0.987 463 E CA 0.938 57.287 56.400 -0.085 0.000 0.799 463 E CB -0.052 29.604 29.700 -0.074 0.000 0.752 463 E HN 0.195 nan 8.360 nan 0.000 0.449 464 A N 1.264 124.063 122.820 -0.034 0.000 1.940 464 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 464 A C 2.149 179.705 177.584 -0.046 0.000 1.176 464 A CA 1.370 53.380 52.037 -0.045 0.000 0.631 464 A CB -0.660 18.317 19.000 -0.039 0.000 0.814 464 A HN 0.411 nan 8.150 nan 0.000 0.446 465 L N -0.234 120.978 121.223 -0.018 0.000 2.046 465 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 465 L C 2.525 179.425 176.870 0.049 0.000 1.077 465 L CA 2.658 57.489 54.840 -0.015 0.000 0.747 465 L CB -0.941 41.075 42.059 -0.071 0.000 0.896 465 L HN 0.327 nan 8.230 nan 0.000 0.432 466 S N -0.678 115.102 115.700 0.133 0.000 2.368 466 S HA -0.198 4.271 4.470 -0.001 0.000 0.225 466 S C 2.185 176.740 174.600 -0.075 0.000 1.030 466 S CA 1.353 59.587 58.200 0.056 0.000 0.999 466 S CB -0.228 62.891 63.200 -0.134 0.000 0.844 466 S HN 0.561 nan 8.310 nan 0.000 0.459 467 R N 0.688 121.136 120.500 -0.087 0.000 2.092 467 R HA -0.019 4.320 4.340 -0.001 0.000 0.231 467 R C 2.617 178.848 176.300 -0.116 0.000 1.119 467 R CA 1.630 57.671 56.100 -0.098 0.000 0.970 467 R CB -0.256 29.987 30.300 -0.095 0.000 0.864 467 R HN 0.570 nan 8.270 nan 0.000 0.440 468 R N 0.190 120.590 120.500 -0.167 0.000 2.148 468 R HA 0.006 4.346 4.340 -0.001 0.000 0.223 468 R C 2.011 178.054 176.300 -0.428 0.000 1.088 468 R CA 1.055 56.952 56.100 -0.339 0.000 0.985 468 R CB -0.434 29.610 30.300 -0.428 0.000 0.880 468 R HN 0.198 nan 8.270 nan 0.000 0.451 469 I N 1.310 121.756 120.570 -0.206 0.000 2.286 469 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 469 I C 2.585 178.601 176.117 -0.168 0.000 1.104 469 I CA 1.296 62.508 61.300 -0.147 0.000 1.397 469 I CB -0.144 37.660 38.000 -0.328 0.000 1.072 469 I HN 0.134 nan 8.210 nan 0.000 0.417 470 M N -0.559 118.933 119.600 -0.179 0.000 2.108 470 M HA -0.270 4.210 4.480 -0.001 0.000 0.261 470 M C 2.408 178.740 176.300 0.053 0.000 1.066 470 M CA 1.803 57.033 55.300 -0.118 0.000 1.107 470 M CB -0.686 31.847 32.600 -0.112 0.000 1.356 470 M HN 0.290 nan 8.290 nan 0.000 0.406 471 H N -0.495 118.549 119.070 -0.044 0.000 2.436 471 H HA -0.110 4.445 4.556 -0.001 0.000 0.294 471 H C 1.521 176.958 175.328 0.181 0.000 1.048 471 H CA 1.681 57.736 56.048 0.011 0.000 1.353 471 H CB 0.034 29.755 29.762 -0.068 0.000 1.414 471 H HN 0.251 nan 8.280 nan 0.000 0.536 472 Y N -0.709 119.701 120.300 0.183 0.000 2.114 472 Y HA -0.254 4.296 4.550 -0.001 0.000 0.284 472 Y C 2.529 178.628 175.900 0.332 0.000 1.143 472 Y CA 1.109 59.379 58.100 0.282 0.000 1.135 472 Y CB -1.110 37.732 38.460 0.637 0.000 0.980 472 Y HN 0.358 nan 8.280 nan 0.000 0.499 473 W N -0.489 120.922 121.300 0.185 0.000 2.335 473 W HA -0.238 4.422 4.660 -0.000 0.000 0.311 473 W C 2.595 179.124 176.519 0.016 0.000 1.213 473 W CA 1.115 58.505 57.345 0.075 0.000 1.274 473 W CB -0.476 28.968 29.460 -0.027 0.000 1.148 473 W HN 0.058 nan 8.180 nan 0.000 0.498 474 A N -0.058 122.871 122.820 0.181 0.000 1.898 474 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 474 A C 1.790 179.354 177.584 -0.034 0.000 1.181 474 A CA 2.169 54.223 52.037 0.029 0.000 0.620 474 A CB -1.198 17.808 19.000 0.010 0.000 0.819 474 A HN 0.203 nan 8.150 nan 0.000 0.442 475 T N -0.755 113.730 114.554 -0.115 0.000 2.867 475 T HA -0.108 4.242 4.350 -0.001 0.000 0.268 475 T C 1.561 176.212 174.700 -0.082 0.000 1.057 475 T CA 1.502 63.507 62.100 -0.159 0.000 1.136 475 T CB -0.358 68.339 68.868 -0.285 0.000 0.874 475 T HN 0.534 nan 8.240 nan 0.000 0.466 476 F N 2.133 121.991 119.950 -0.153 0.000 2.206 476 F HA 0.168 4.694 4.527 -0.001 0.000 0.298 476 F C 2.360 178.086 175.800 -0.124 0.000 1.090 476 F CA 0.766 58.650 58.000 -0.194 0.000 1.323 476 F CB -0.509 38.315 39.000 -0.294 0.000 1.028 476 F HN 0.123 nan 8.300 nan 0.000 0.492 477 A N 0.498 123.199 122.820 -0.197 0.000 1.930 477 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 477 A C 2.314 179.747 177.584 -0.252 0.000 1.175 477 A CA 1.783 53.670 52.037 -0.250 0.000 0.627 477 A CB -0.799 18.154 19.000 -0.077 0.000 0.815 477 A HN 0.495 nan 8.150 nan 0.000 0.443 478 K N -0.715 119.578 120.400 -0.178 0.000 2.155 478 K HA -0.099 4.220 4.320 -0.001 0.000 0.203 478 K C 1.689 178.198 176.600 -0.152 0.000 1.052 478 K CA 1.837 58.047 56.287 -0.129 0.000 0.948 478 K CB -0.048 32.406 32.500 -0.077 0.000 0.728 478 K HN 0.598 nan 8.250 nan 0.000 0.448 479 T N -5.306 109.124 114.554 -0.206 0.000 2.958 479 T HA 0.258 4.607 4.350 -0.001 0.000 0.256 479 T C 1.113 175.681 174.700 -0.220 0.000 0.983 479 T CA 0.475 62.473 62.100 -0.169 0.000 0.924 479 T CB 0.928 69.734 68.868 -0.104 0.000 1.136 479 T HN 0.284 nan 8.240 nan 0.000 0.506 480 G N 1.496 110.029 108.800 -0.445 0.000 2.157 480 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.239 480 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.239 480 G C -0.206 174.661 174.900 -0.056 0.000 0.982 480 G CA 0.031 44.866 45.100 -0.441 0.000 0.650 480 G HN 0.849 nan 8.290 nan 0.000 0.527 481 N N -0.274 118.367 118.700 -0.099 0.000 2.425 481 N HA 0.426 5.165 4.740 -0.001 0.000 0.289 481 N C -1.800 173.569 175.510 -0.235 0.000 1.074 481 N CA -1.375 51.572 53.050 -0.172 0.000 0.905 481 N CB 2.530 40.988 38.487 -0.048 0.000 1.586 481 N HN -0.060 nan 8.380 nan 0.000 0.490 482 P HA -0.025 nan 4.420 nan 0.000 0.229 482 P C -0.407 176.902 177.300 0.015 0.000 1.160 482 P CA 0.547 63.507 63.100 -0.234 0.000 0.777 482 P CB 0.412 31.750 31.700 -0.603 0.000 0.814 483 N N 1.363 120.031 118.700 -0.053 0.000 2.530 483 N HA 0.116 4.855 4.740 -0.001 0.000 0.277 483 N C 0.011 175.579 175.510 0.096 0.000 1.168 483 N CA -0.039 53.077 53.050 0.110 0.000 0.979 483 N CB 0.976 39.524 38.487 0.100 0.000 1.141 483 N HN 0.042 nan 8.380 nan 0.000 0.459 484 E N 1.913 122.204 120.200 0.153 0.000 2.283 484 E HA 0.268 4.617 4.350 -0.001 0.000 0.278 484 E C -1.907 174.755 176.600 0.103 0.000 1.027 484 E CA -1.354 55.125 56.400 0.132 0.000 0.843 484 E CB 0.655 30.466 29.700 0.185 0.000 1.062 484 E HN 0.356 nan 8.360 nan 0.000 0.401 491 K N 1.581 122.081 120.400 0.168 0.000 2.249 491 K HA 0.229 4.549 4.320 -0.001 0.000 0.280 491 K C -0.488 176.273 176.600 0.267 0.000 1.033 491 K CA -0.437 55.977 56.287 0.213 0.000 0.946 491 K CB 0.428 33.034 32.500 0.177 0.000 1.005 491 K HN 0.794 nan 8.250 nan 0.000 0.469 492 W N 7.159 128.503 121.300 0.074 0.000 2.416 492 W HA 0.177 4.837 4.660 -0.001 0.000 0.318 492 W C -2.288 174.347 176.519 0.193 0.000 1.150 492 W CA -2.552 54.836 57.345 0.072 0.000 1.392 492 W CB -0.029 29.377 29.460 -0.090 0.000 1.311 492 W HN 0.406 nan 8.180 nan 0.000 0.436 493 P HA 0.032 nan 4.420 nan 0.000 0.274 493 P C -0.545 176.982 177.300 0.378 0.000 1.237 493 P CA -0.529 62.797 63.100 0.377 0.000 0.793 493 P CB 1.576 33.415 31.700 0.231 0.000 0.977 494 L N 2.469 123.788 121.223 0.159 0.000 2.453 494 L HA 0.213 4.553 4.340 -0.001 0.000 0.272 494 L C -0.053 176.822 176.870 0.008 0.000 1.182 494 L CA -0.295 54.447 54.840 -0.163 0.000 0.858 494 L CB -0.828 41.137 42.059 -0.157 0.000 1.120 494 L HN 0.234 nan 8.230 nan 0.000 0.474 495 F N 4.398 124.258 119.950 -0.150 0.000 2.445 495 F HA 0.480 5.007 4.527 -0.001 0.000 0.359 495 F C 0.289 176.066 175.800 -0.038 0.000 1.101 495 F CA -0.221 57.776 58.000 -0.004 0.000 1.177 495 F CB 0.540 39.563 39.000 0.039 0.000 1.110 495 F HN 0.647 nan 8.300 nan 0.000 0.522 496 T N 0.791 115.065 114.554 -0.466 0.000 2.908 496 T HA 0.285 4.634 4.350 -0.001 0.000 0.290 496 T C 1.004 175.425 174.700 -0.465 0.000 1.034 496 T CA -0.067 61.851 62.100 -0.305 0.000 1.010 496 T CB 1.378 70.143 68.868 -0.172 0.000 1.068 496 T HN 0.625 nan 8.240 nan 0.000 0.481 497 T N -0.596 113.835 114.554 -0.205 0.000 2.929 497 T HA -0.111 4.238 4.350 -0.001 0.000 0.271 497 T C 1.632 176.232 174.700 -0.165 0.000 1.085 497 T CA 1.294 63.304 62.100 -0.151 0.000 1.125 497 T CB -0.316 68.521 68.868 -0.051 0.000 0.874 497 T HN 0.754 nan 8.240 nan 0.000 0.494 498 K N 1.129 121.433 120.400 -0.160 0.000 2.029 498 K HA 0.029 4.349 4.320 -0.001 0.000 0.205 498 K C 2.320 178.840 176.600 -0.134 0.000 1.042 498 K CA 0.957 57.174 56.287 -0.117 0.000 0.949 498 K CB -0.083 32.367 32.500 -0.085 0.000 0.740 498 K HN 0.064 nan 8.250 nan 0.000 0.442 499 E N 0.800 120.900 120.200 -0.167 0.000 2.158 499 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 499 E C -0.220 176.267 176.600 -0.188 0.000 0.982 499 E CA 0.609 56.925 56.400 -0.141 0.000 0.823 499 E CB 0.190 29.825 29.700 -0.108 0.000 0.766 499 E HN 0.324 nan 8.360 nan 0.000 0.468 500 Q N 0.153 119.681 119.800 -0.453 0.000 2.434 500 Q HA -0.245 4.094 4.340 -0.001 0.000 0.299 500 Q C -0.732 175.248 176.000 -0.033 0.000 1.286 500 Q CA 0.639 56.059 55.803 -0.638 0.000 0.872 500 Q CB -1.578 27.028 28.738 -0.220 0.000 1.193 500 Q HN 0.202 nan 8.270 nan 0.000 0.466 501 K N 0.523 120.931 120.400 0.013 0.000 2.202 501 K HA 0.576 4.895 4.320 -0.001 0.000 0.264 501 K C 0.033 176.968 176.600 0.559 0.000 1.010 501 K CA 0.101 56.525 56.287 0.228 0.000 0.940 501 K CB 0.494 33.062 32.500 0.113 0.000 0.983 501 K HN 0.213 nan 8.250 nan 0.000 0.475 502 F N -0.433 119.700 119.950 0.306 0.000 2.711 502 F HA 0.596 5.122 4.527 -0.001 0.000 0.313 502 F C -1.128 174.798 175.800 0.210 0.000 1.141 502 F CA -1.512 56.699 58.000 0.351 0.000 0.941 502 F CB 0.760 39.974 39.000 0.357 0.000 1.349 502 F HN 0.429 nan 8.300 nan 0.000 0.464 503 I N -0.695 120.055 120.570 0.301 0.000 2.846 503 I HA 0.663 4.832 4.170 -0.001 0.000 0.307 503 I C -1.172 175.118 176.117 0.287 0.000 1.053 503 I CA -0.853 60.451 61.300 0.007 0.000 1.050 503 I CB 1.988 39.759 38.000 -0.382 0.000 1.239 503 I HN 0.443 nan 8.210 nan 0.000 0.439 504 D N 3.228 123.760 120.400 0.221 0.000 2.283 504 D HA 0.480 5.119 4.640 -0.001 0.000 0.248 504 D C -0.921 175.469 176.300 0.150 0.000 1.072 504 D CA 0.058 54.271 54.000 0.354 0.000 0.929 504 D CB 2.069 43.070 40.800 0.335 0.000 1.182 504 D HN 0.253 nan 8.370 nan 0.000 0.433 505 L N 3.136 124.448 121.223 0.150 0.000 2.353 505 L HA 0.321 4.661 4.340 -0.001 0.000 0.270 505 L C -0.656 176.125 176.870 -0.149 0.000 1.003 505 L CA -0.406 54.458 54.840 0.040 0.000 0.862 505 L CB -0.024 42.128 42.059 0.156 0.000 1.221 505 L HN 0.517 nan 8.230 nan 0.000 0.430 506 N N -0.349 118.271 118.700 -0.134 0.000 3.378 506 N HA 0.262 5.002 4.740 -0.001 0.000 0.294 506 N C 0.355 175.756 175.510 -0.181 0.000 1.544 506 N CA -0.062 52.855 53.050 -0.221 0.000 0.872 506 N CB 0.317 38.740 38.487 -0.107 0.000 1.670 506 N HN 0.072 nan 8.380 nan 0.000 0.551 507 T N -3.444 110.987 114.554 -0.205 0.000 3.113 507 T HA 0.164 4.514 4.350 -0.001 0.000 0.256 507 T C -0.013 174.654 174.700 -0.054 0.000 1.131 507 T CA 0.457 62.460 62.100 -0.161 0.000 1.074 507 T CB -0.499 68.241 68.868 -0.212 0.000 0.944 507 T HN 0.518 nan 8.240 nan 0.000 0.516 508 E N 1.902 122.090 120.200 -0.020 0.000 2.280 508 E HA 0.383 4.733 4.350 -0.001 0.000 0.261 508 E C -2.642 173.962 176.600 0.006 0.000 1.088 508 E CA -2.666 53.738 56.400 0.005 0.000 0.915 508 E CB 0.162 29.878 29.700 0.025 0.000 1.141 508 E HN 0.129 nan 8.360 nan 0.000 0.433 509 P HA -0.106 nan 4.420 nan 0.000 0.261 509 P C -0.333 176.972 177.300 0.009 0.000 1.183 509 P CA 0.447 63.555 63.100 0.013 0.000 0.761 509 P CB 0.305 32.012 31.700 0.012 0.000 0.785 510 M N 3.443 123.054 119.600 0.019 0.000 2.226 510 M HA -0.099 4.380 4.480 -0.001 0.000 0.352 510 M C -0.201 176.072 176.300 -0.046 0.000 1.226 510 M CA 1.289 56.589 55.300 0.001 0.000 0.943 510 M CB 0.013 32.632 32.600 0.031 0.000 1.805 510 M HN 0.232 nan 8.290 nan 0.000 0.465 511 K N 3.798 124.135 120.400 -0.105 0.000 2.443 511 K HA 0.548 4.867 4.320 -0.001 0.000 0.252 511 K C -1.641 174.697 176.600 -0.437 0.000 0.933 511 K CA -0.812 55.331 56.287 -0.240 0.000 0.792 511 K CB 2.306 34.669 32.500 -0.228 0.000 1.185 511 K HN 0.548 nan 8.250 nan 0.000 0.425 512 V N 4.627 124.265 119.914 -0.460 0.000 2.481 512 V HA 0.372 4.492 4.120 -0.001 0.000 0.286 512 V C 0.002 175.654 176.094 -0.736 0.000 1.042 512 V CA -0.450 61.573 62.300 -0.463 0.000 0.928 512 V CB 1.137 32.839 31.823 -0.202 0.000 0.986 512 V HN 0.764 nan 8.190 nan 0.000 0.462 513 H N 3.050 121.751 119.070 -0.615 0.000 3.043 513 H HA 0.670 5.226 4.556 -0.001 0.000 0.302 513 H C -1.138 173.859 175.328 -0.551 0.000 1.506 513 H CA -0.883 54.767 56.048 -0.663 0.000 1.282 513 H CB 2.131 31.332 29.762 -0.934 0.000 1.914 513 H HN 0.542 nan 8.280 nan 0.000 0.625 514 Q N 0.100 119.873 119.800 -0.045 0.000 2.418 514 Q HA 0.334 4.674 4.340 -0.001 0.000 0.282 514 Q C -0.786 175.442 176.000 0.381 0.000 1.044 514 Q CA -0.910 55.014 55.803 0.202 0.000 0.813 514 Q CB 3.066 31.857 28.738 0.089 0.000 1.428 514 Q HN 0.461 nan 8.270 nan 0.000 0.402 515 R N 1.000 121.731 120.500 0.385 0.000 3.127 515 R HA -0.206 4.133 4.340 -0.001 0.000 0.247 515 R C -0.458 176.011 176.300 0.281 0.000 0.896 515 R CA -0.096 56.178 56.100 0.289 0.000 0.624 515 R CB -1.469 28.937 30.300 0.176 0.000 1.154 515 R HN 0.458 nan 8.270 nan 0.000 0.474 516 L N 2.074 123.441 121.223 0.240 0.000 2.660 516 L HA -0.031 4.309 4.340 -0.001 0.000 0.272 516 L C 0.899 177.756 176.870 -0.021 0.000 1.194 516 L CA 0.714 55.475 54.840 -0.132 0.000 0.945 516 L CB -0.260 41.317 42.059 -0.804 0.000 1.212 516 L HN 0.477 nan 8.230 nan 0.000 0.490 517 R N 2.112 122.613 120.500 0.001 0.000 3.484 517 R HA -0.199 4.141 4.340 -0.001 0.000 0.260 517 R C 1.240 177.612 176.300 0.119 0.000 1.053 517 R CA 0.632 56.772 56.100 0.067 0.000 0.703 517 R CB -2.062 28.295 30.300 0.094 0.000 1.089 517 R HN 0.769 nan 8.270 nan 0.000 0.459 518 V N -2.622 117.361 119.914 0.116 0.000 2.287 518 V HA -0.352 3.768 4.120 -0.001 0.000 0.248 518 V C 2.314 178.487 176.094 0.132 0.000 1.053 518 V CA 2.191 64.570 62.300 0.132 0.000 1.027 518 V CB -0.515 31.378 31.823 0.116 0.000 0.646 518 V HN 0.300 nan 8.190 nan 0.000 0.447 519 Q N -0.141 119.717 119.800 0.097 0.000 2.014 519 Q HA -0.203 4.136 4.340 -0.001 0.000 0.207 519 Q C 2.175 178.239 176.000 0.106 0.000 0.993 519 Q CA 2.382 58.226 55.803 0.069 0.000 0.850 519 Q CB -0.420 28.327 28.738 0.016 0.000 0.916 519 Q HN 0.553 nan 8.270 nan 0.000 0.417 520 M N -1.234 118.452 119.600 0.143 0.000 2.200 520 M HA -0.113 4.367 4.480 -0.001 0.000 0.265 520 M C 2.384 178.973 176.300 0.482 0.000 1.066 520 M CA 0.889 56.350 55.300 0.269 0.000 1.127 520 M CB -1.195 31.620 32.600 0.359 0.000 1.379 520 M HN 0.324 nan 8.290 nan 0.000 0.420 521 c N -0.313 118.514 118.600 0.378 0.000 2.446 521 c HA -0.025 4.545 4.570 -0.001 0.000 0.279 521 c C 2.928 177.212 174.090 0.323 0.000 1.366 521 c CA 0.255 56.816 56.329 0.387 0.000 1.763 521 c CB -0.853 41.819 42.510 0.270 0.000 1.929 521 c HN 0.317 nan 8.230 nan 0.000 0.509 522 V N 0.475 120.542 119.914 0.256 0.000 2.515 522 V HA -0.201 3.919 4.120 -0.001 0.000 0.250 522 V C 1.996 178.231 176.094 0.236 0.000 1.058 522 V CA 2.028 64.453 62.300 0.208 0.000 1.064 522 V CB -0.758 31.159 31.823 0.157 0.000 0.675 522 V HN 0.599 nan 8.190 nan 0.000 0.461 523 F N -0.132 119.870 119.950 0.087 0.000 2.113 523 F HA -0.158 4.369 4.527 -0.001 0.000 0.297 523 F C 1.917 177.714 175.800 -0.005 0.000 1.103 523 F CA 1.615 59.619 58.000 0.007 0.000 1.248 523 F CB -0.286 38.610 39.000 -0.173 0.000 0.999 523 F HN 0.169 nan 8.300 nan 0.000 0.475 524 W N 0.486 121.911 121.300 0.210 0.000 2.518 524 W HA -0.018 4.642 4.660 -0.001 0.000 0.273 524 W C 1.841 178.351 176.519 -0.015 0.000 1.247 524 W CA 0.539 57.920 57.345 0.061 0.000 1.288 524 W CB -0.353 29.259 29.460 0.253 0.000 1.107 524 W HN -0.036 nan 8.180 nan 0.000 0.586 525 N N -0.693 118.136 118.700 0.213 0.000 2.388 525 N HA 0.015 4.754 4.740 -0.001 0.000 0.176 525 N C 1.217 176.730 175.510 0.005 0.000 1.062 525 N CA 0.817 53.905 53.050 0.063 0.000 0.895 525 N CB 0.168 38.709 38.487 0.090 0.000 1.018 525 N HN 0.316 nan 8.380 nan 0.000 0.456 526 Q N -1.320 118.502 119.800 0.036 0.000 2.589 526 Q HA 0.256 4.596 4.340 -0.001 0.000 0.216 526 Q C 1.148 177.140 176.000 -0.013 0.000 0.774 526 Q CA -0.243 55.576 55.803 0.027 0.000 0.909 526 Q CB 0.121 28.912 28.738 0.089 0.000 1.283 526 Q HN 0.088 nan 8.270 nan 0.000 0.597 527 F N 1.572 121.438 119.950 -0.140 0.000 2.060 527 F HA -0.173 4.354 4.527 -0.001 0.000 0.295 527 F C 1.880 177.493 175.800 -0.310 0.000 1.120 527 F CA 1.163 59.047 58.000 -0.194 0.000 1.205 527 F CB -0.293 38.613 39.000 -0.157 0.000 0.986 527 F HN 0.095 nan 8.300 nan 0.000 0.470 528 L N 1.098 121.914 121.223 -0.679 0.000 2.042 528 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 528 L C -0.892 175.708 176.870 -0.450 0.000 1.076 528 L CA 2.162 56.562 54.840 -0.734 0.000 0.749 528 L CB -1.906 39.623 42.059 -0.883 0.000 0.893 528 L HN 0.019 nan 8.230 nan 0.000 0.432 529 P HA -0.190 nan 4.420 nan 0.000 0.216 529 P C 1.503 178.674 177.300 -0.215 0.000 1.153 529 P CA 1.505 64.501 63.100 -0.173 0.000 0.848 529 P CB -0.031 31.602 31.700 -0.110 0.000 0.787 530 K N -0.297 119.939 120.400 -0.273 0.000 2.063 530 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 530 K C 1.946 178.355 176.600 -0.319 0.000 1.048 530 K CA 1.135 57.268 56.287 -0.256 0.000 0.928 530 K CB -0.824 31.533 32.500 -0.237 0.000 0.713 530 K HN -0.054 nan 8.250 nan 0.000 0.442 531 L N 1.662 122.569 121.223 -0.526 0.000 1.989 531 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 531 L C 1.894 178.608 176.870 -0.259 0.000 1.071 531 L CA 1.748 56.310 54.840 -0.464 0.000 0.749 531 L CB -1.087 40.560 42.059 -0.686 0.000 0.890 531 L HN 0.316 nan 8.230 nan 0.000 0.431 532 L N -0.025 121.058 121.223 -0.234 0.000 2.131 532 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 532 L C 2.256 179.064 176.870 -0.104 0.000 1.092 532 L CA 1.408 56.163 54.840 -0.142 0.000 0.759 532 L CB -0.667 41.329 42.059 -0.105 0.000 0.903 532 L HN 0.401 nan 8.230 nan 0.000 0.435 533 N N 0.018 118.650 118.700 -0.113 0.000 2.331 533 N HA -0.091 4.649 4.740 -0.001 0.000 0.180 533 N C 1.718 177.184 175.510 -0.073 0.000 1.019 533 N CA 1.115 54.117 53.050 -0.080 0.000 0.881 533 N CB 0.124 38.565 38.487 -0.078 0.000 0.972 533 N HN 0.276 nan 8.380 nan 0.000 0.435 534 A N -0.642 122.122 122.820 -0.093 0.000 1.878 534 A HA 0.073 4.393 4.320 -0.001 0.000 0.213 534 A C 1.403 178.952 177.584 -0.058 0.000 1.192 534 A CA 1.305 53.298 52.037 -0.072 0.000 0.619 534 A CB -0.977 17.974 19.000 -0.082 0.000 0.837 534 A HN 0.469 nan 8.150 nan 0.000 0.446 535 T N 0.000 114.513 114.554 -0.069 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.053 0.000 1.349 535 T CB 0.000 68.833 68.868 -0.058 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658