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 1vxo_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.651 174.600 0.085 0.000 1.055 4 S CA 0.000 58.233 58.200 0.056 0.000 1.107 4 S CB 0.000 63.232 63.200 0.053 0.000 0.593 5 E N 3.146 123.399 120.200 0.088 0.000 2.160 5 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 5 E C 0.938 177.662 176.600 0.207 0.000 0.991 5 E CA 1.382 57.860 56.400 0.131 0.000 0.810 5 E CB -0.052 29.710 29.700 0.104 0.000 0.742 5 E HN 0.750 nan 8.360 nan 0.000 0.466 6 L N 1.050 122.362 121.223 0.150 0.000 2.629 6 L HA 0.218 4.557 4.340 -0.001 0.000 0.230 6 L C -0.082 176.971 176.870 0.304 0.000 1.151 6 L CA -0.422 54.506 54.840 0.148 0.000 0.924 6 L CB 0.354 42.397 42.059 -0.026 0.000 1.137 6 L HN 0.150 nan 8.230 nan 0.000 0.457 7 L N 0.332 121.718 121.223 0.273 0.000 2.356 7 L HA 0.651 4.991 4.340 -0.001 0.000 0.277 7 L C -0.820 176.152 176.870 0.169 0.000 0.996 7 L CA -0.381 54.606 54.840 0.245 0.000 0.822 7 L CB 1.928 44.071 42.059 0.140 0.000 1.256 7 L HN -0.302 nan 8.230 nan 0.000 0.413 8 V N 4.069 124.052 119.914 0.116 0.000 2.709 8 V HA 0.517 4.636 4.120 -0.001 0.000 0.308 8 V C -0.775 175.230 176.094 -0.147 0.000 1.062 8 V CA -0.750 61.459 62.300 -0.153 0.000 0.901 8 V CB 2.063 33.515 31.823 -0.618 0.000 1.003 8 V HN 0.809 nan 8.190 nan 0.000 0.425 9 N N 2.597 121.149 118.700 -0.247 0.000 2.425 9 N HA 0.592 5.332 4.740 -0.001 0.000 0.268 9 N C -0.309 174.865 175.510 -0.561 0.000 0.991 9 N CA -0.083 52.796 53.050 -0.286 0.000 0.931 9 N CB 1.581 39.904 38.487 -0.272 0.000 1.130 9 N HN 0.936 nan 8.380 nan 0.000 0.493 10 T N -0.044 114.287 114.554 -0.373 0.000 2.940 10 T HA 0.389 4.739 4.350 -0.001 0.000 0.288 10 T C 0.897 175.373 174.700 -0.374 0.000 1.045 10 T CA -0.652 61.210 62.100 -0.397 0.000 1.018 10 T CB 1.102 70.006 68.868 0.060 0.000 1.151 10 T HN 0.403 nan 8.240 nan 0.000 0.529 11 K N 0.400 120.634 120.400 -0.275 0.000 2.442 11 K HA 0.014 4.334 4.320 -0.001 0.000 0.198 11 K C 1.651 178.113 176.600 -0.229 0.000 1.044 11 K CA 0.927 57.084 56.287 -0.217 0.000 0.948 11 K CB -0.080 32.347 32.500 -0.121 0.000 0.762 11 K HN 0.441 nan 8.250 nan 0.000 0.472 12 S N -0.314 115.236 115.700 -0.251 0.000 2.524 12 S HA 0.221 4.690 4.470 -0.001 0.000 0.215 12 S C 0.474 174.367 174.600 -1.179 0.000 0.986 12 S CA 0.131 58.040 58.200 -0.486 0.000 0.911 12 S CB 1.109 64.200 63.200 -0.182 0.000 0.805 12 S HN 0.553 nan 8.310 nan 0.000 0.501 13 G N 1.236 109.583 108.800 -0.755 0.000 2.359 13 G HA2 0.099 4.059 3.960 -0.001 0.000 0.303 13 G HA3 0.099 4.059 3.960 -0.001 0.000 0.303 13 G C -1.884 173.000 174.900 -0.026 0.000 1.293 13 G CA -1.141 43.542 45.100 -0.696 0.000 0.964 13 G HN 0.099 nan 8.290 nan 0.000 0.531 14 K N -0.312 120.271 120.400 0.304 0.000 2.143 14 K HA 0.645 4.964 4.320 -0.001 0.000 0.272 14 K C 0.158 177.129 176.600 0.619 0.000 1.001 14 K CA -0.551 55.952 56.287 0.359 0.000 0.915 14 K CB 2.092 34.733 32.500 0.235 0.000 1.047 14 K HN 1.106 nan 8.250 nan 0.000 0.458 15 V N -0.146 120.059 119.914 0.485 0.000 2.823 15 V HA 0.636 4.756 4.120 -0.001 0.000 0.312 15 V C -0.835 175.539 176.094 0.466 0.000 1.072 15 V CA -1.156 61.470 62.300 0.543 0.000 0.937 15 V CB 1.776 33.966 31.823 0.612 0.000 1.013 15 V HN 0.871 nan 8.190 nan 0.000 0.430 16 M N 4.092 123.934 119.600 0.404 0.000 2.243 16 M HA 0.829 5.308 4.480 -0.001 0.000 0.324 16 M C 0.255 176.684 176.300 0.216 0.000 1.031 16 M CA 0.118 55.596 55.300 0.297 0.000 0.949 16 M CB 1.292 33.982 32.600 0.150 0.000 1.615 16 M HN 1.123 nan 8.290 nan 0.000 0.430 17 G N 1.454 110.280 108.800 0.045 0.000 2.574 17 G HA2 0.624 4.583 3.960 -0.001 0.000 0.248 17 G HA3 0.624 4.583 3.960 -0.001 0.000 0.248 17 G C -1.057 173.653 174.900 -0.317 0.000 1.422 17 G CA -0.336 44.491 45.100 -0.455 0.000 1.051 17 G HN 0.672 nan 8.290 nan 0.000 0.560 18 T N -1.656 112.656 114.554 -0.403 0.000 2.932 18 T HA 0.497 4.847 4.350 -0.001 0.000 0.318 18 T C -0.895 173.671 174.700 -0.225 0.000 1.265 18 T CA -0.685 61.270 62.100 -0.242 0.000 1.036 18 T CB 1.564 70.315 68.868 -0.195 0.000 1.209 18 T HN 0.617 nan 8.240 nan 0.000 0.484 19 R N 2.824 123.240 120.500 -0.140 0.000 2.265 19 R HA 0.659 4.999 4.340 -0.001 0.000 0.314 19 R C -0.485 175.801 176.300 -0.023 0.000 1.053 19 R CA -0.478 55.572 56.100 -0.083 0.000 0.931 19 R CB 0.453 30.695 30.300 -0.096 0.000 1.024 19 R HN 0.542 nan 8.270 nan 0.000 0.457 20 V N 2.615 122.552 119.914 0.039 0.000 2.680 20 V HA 0.708 4.827 4.120 -0.001 0.000 0.309 20 V C -2.552 173.608 176.094 0.110 0.000 1.052 20 V CA -2.647 59.692 62.300 0.066 0.000 0.908 20 V CB 1.681 33.532 31.823 0.047 0.000 1.001 20 V HN 0.784 nan 8.190 nan 0.000 0.431 21 P HA 0.540 nan 4.420 nan 0.000 0.282 21 P C -0.920 176.243 177.300 -0.228 0.000 1.249 21 P CA -0.318 62.675 63.100 -0.178 0.000 0.806 21 P CB 2.061 33.690 31.700 -0.119 0.000 0.984 22 V N 4.572 124.265 119.914 -0.369 0.000 2.823 22 V HA 0.190 4.310 4.120 -0.001 0.000 0.296 22 V C -0.181 175.677 176.094 -0.392 0.000 1.250 22 V CA -0.879 61.224 62.300 -0.327 0.000 0.939 22 V CB 1.047 32.627 31.823 -0.407 0.000 1.062 22 V HN 0.501 nan 8.190 nan 0.000 0.433 23 L N 6.024 127.161 121.223 -0.144 0.000 3.854 23 L HA -0.222 4.118 4.340 -0.001 0.000 0.460 23 L C 1.150 177.929 176.870 -0.152 0.000 1.228 23 L CA 1.256 56.050 54.840 -0.077 0.000 0.760 23 L CB -1.648 40.452 42.059 0.068 0.000 1.597 23 L HN 1.974 nan 8.230 nan 0.000 0.852 24 S N -3.102 112.490 115.700 -0.180 0.000 3.382 24 S HA -0.249 4.221 4.470 -0.001 0.000 0.293 24 S C 0.265 174.708 174.600 -0.262 0.000 1.262 24 S CA 1.562 59.656 58.200 -0.176 0.000 0.969 24 S CB -1.098 62.058 63.200 -0.073 0.000 1.136 24 S HN 1.215 nan 8.310 nan 0.000 0.635 25 S N -0.632 114.794 115.700 -0.457 0.000 3.132 25 S HA 0.881 5.351 4.470 -0.001 0.000 0.322 25 S C -1.010 173.123 174.600 -0.777 0.000 1.124 25 S CA -0.089 57.837 58.200 -0.457 0.000 0.906 25 S CB 1.211 64.236 63.200 -0.291 0.000 1.349 25 S HN 0.823 nan 8.310 nan 0.000 0.686 26 H N -0.454 118.513 119.070 -0.171 0.000 3.037 26 H HA 0.752 5.308 4.556 -0.001 0.000 0.355 26 H C -0.574 174.734 175.328 -0.032 0.000 1.263 26 H CA -0.285 55.697 56.048 -0.110 0.000 1.129 26 H CB 1.523 31.255 29.762 -0.049 0.000 1.861 26 H HN 0.791 nan 8.280 nan 0.000 0.546 27 I N -2.325 118.331 120.570 0.142 0.000 3.352 27 I HA 0.729 4.898 4.170 -0.001 0.000 0.316 27 I C -1.204 174.987 176.117 0.123 0.000 1.214 27 I CA -1.028 60.370 61.300 0.163 0.000 0.934 27 I CB 2.497 40.622 38.000 0.209 0.000 1.310 27 I HN 0.494 nan 8.210 nan 0.000 0.475 28 S N 1.238 117.012 115.700 0.123 0.000 2.608 28 S HA 0.887 5.356 4.470 -0.001 0.000 0.291 28 S C -0.326 174.219 174.600 -0.093 0.000 1.146 28 S CA -0.579 57.599 58.200 -0.036 0.000 1.043 28 S CB 1.636 64.808 63.200 -0.047 0.000 1.037 28 S HN 0.939 nan 8.310 nan 0.000 0.520 29 A N 1.691 124.283 122.820 -0.379 0.000 2.374 29 A HA 0.776 5.096 4.320 -0.001 0.000 0.305 29 A C -1.431 175.795 177.584 -0.598 0.000 1.053 29 A CA -0.684 51.076 52.037 -0.463 0.000 0.726 29 A CB 0.509 19.202 19.000 -0.513 0.000 1.229 29 A HN 0.633 nan 8.150 nan 0.000 0.431 30 F N 2.635 122.441 119.950 -0.240 0.000 2.382 30 F HA 0.519 5.046 4.527 -0.001 0.000 0.361 30 F C -0.149 175.517 175.800 -0.224 0.000 1.109 30 F CA -0.429 57.510 58.000 -0.102 0.000 1.031 30 F CB 1.303 40.350 39.000 0.077 0.000 1.234 30 F HN 0.350 nan 8.300 nan 0.000 0.445 31 L N 2.194 123.362 121.223 -0.091 0.000 2.325 31 L HA 0.725 5.065 4.340 -0.001 0.000 0.278 31 L C 0.973 177.870 176.870 0.045 0.000 1.023 31 L CA -0.969 53.805 54.840 -0.110 0.000 0.811 31 L CB 1.639 43.533 42.059 -0.274 0.000 1.249 31 L HN 0.843 nan 8.230 nan 0.000 0.431 32 G N 2.729 111.585 108.800 0.093 0.000 2.176 32 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.252 32 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.252 32 G C 0.004 175.008 174.900 0.174 0.000 1.024 32 G CA -0.341 44.824 45.100 0.107 0.000 0.755 32 G HN 0.480 nan 8.290 nan 0.000 0.507 33 I N 2.488 123.076 120.570 0.030 0.000 2.533 33 I HA 0.194 4.364 4.170 -0.001 0.000 0.284 33 I C -1.260 174.665 176.117 -0.319 0.000 1.109 33 I CA -1.766 59.370 61.300 -0.273 0.000 1.412 33 I CB 0.872 38.692 38.000 -0.301 0.000 1.396 33 I HN -0.003 nan 8.210 nan 0.000 0.543 34 P HA 0.066 nan 4.420 nan 0.000 0.281 34 P C -0.345 176.561 177.300 -0.655 0.000 1.252 34 P CA -0.048 62.553 63.100 -0.832 0.000 0.778 34 P CB 0.666 31.812 31.700 -0.924 0.000 0.895 35 F N 0.926 120.523 119.950 -0.588 0.000 2.706 35 F HA 0.725 5.252 4.527 -0.001 0.000 0.313 35 F C 0.070 175.755 175.800 -0.191 0.000 1.096 35 F CA -0.824 56.905 58.000 -0.453 0.000 1.219 35 F CB 0.151 38.878 39.000 -0.456 0.000 1.051 35 F HN 0.327 nan 8.300 nan 0.000 0.568 36 A N -0.009 122.440 122.820 -0.619 0.000 2.587 36 A HA 0.613 4.932 4.320 -0.001 0.000 0.293 36 A C -0.827 176.567 177.584 -0.317 0.000 1.087 36 A CA -0.741 51.092 52.037 -0.340 0.000 0.692 36 A CB 1.055 19.833 19.000 -0.371 0.000 1.291 36 A HN 0.019 nan 8.150 nan 0.000 0.407 37 E N 0.802 120.909 120.200 -0.154 0.000 2.415 37 E HA 0.242 4.592 4.350 -0.001 0.000 0.262 37 E C -2.300 174.208 176.600 -0.154 0.000 1.038 37 E CA -1.359 54.974 56.400 -0.112 0.000 0.921 37 E CB 0.043 29.718 29.700 -0.042 0.000 0.950 37 E HN 0.236 nan 8.360 nan 0.000 0.438 38 P HA 0.035 nan 4.420 nan 0.000 0.266 38 P C -2.202 175.048 177.300 -0.083 0.000 1.215 38 P CA -0.719 62.319 63.100 -0.104 0.000 0.763 38 P CB 0.151 31.829 31.700 -0.037 0.000 0.806 39 P HA 0.010 nan 4.420 nan 0.000 0.226 39 P C -0.363 176.890 177.300 -0.080 0.000 1.783 39 P CA 0.159 63.213 63.100 -0.077 0.000 0.980 39 P CB -0.084 31.571 31.700 -0.075 0.000 1.967 40 V N -2.522 117.353 119.914 -0.065 0.000 3.096 40 V HA 0.890 5.010 4.120 -0.001 0.000 0.319 40 V C 1.044 177.103 176.094 -0.057 0.000 1.103 40 V CA 0.053 62.313 62.300 -0.066 0.000 1.016 40 V CB 0.775 32.568 31.823 -0.050 0.000 1.090 40 V HN 0.533 nan 8.190 nan 0.000 0.449 41 G N 1.693 110.458 108.800 -0.059 0.000 2.629 41 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.313 41 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.313 41 G C 0.724 175.594 174.900 -0.050 0.000 1.217 41 G CA 0.894 45.967 45.100 -0.045 0.000 0.994 41 G HN 1.028 nan 8.290 nan 0.000 0.549 42 N N 0.724 119.413 118.700 -0.020 0.000 2.443 42 N HA -0.013 4.727 4.740 -0.001 0.000 0.184 42 N C 2.226 177.731 175.510 -0.009 0.000 1.037 42 N CA 1.464 54.514 53.050 -0.001 0.000 0.896 42 N CB -0.184 38.315 38.487 0.020 0.000 0.959 42 N HN 0.596 nan 8.380 nan 0.000 0.442 43 M N 0.206 119.788 119.600 -0.030 0.000 2.561 43 M HA 0.037 4.517 4.480 -0.001 0.000 0.238 43 M C 0.763 177.019 176.300 -0.073 0.000 1.131 43 M CA -0.022 55.259 55.300 -0.031 0.000 1.046 43 M CB 0.181 32.763 32.600 -0.030 0.000 1.532 43 M HN -0.040 nan 8.290 nan 0.000 0.497 44 R N 0.879 121.285 120.500 -0.157 0.000 2.484 44 R HA -0.046 4.293 4.340 -0.001 0.000 0.293 44 R C -0.500 175.562 176.300 -0.397 0.000 1.023 44 R CA 0.685 56.557 56.100 -0.380 0.000 1.037 44 R CB 0.131 30.083 30.300 -0.579 0.000 0.951 44 R HN 0.257 nan 8.270 nan 0.000 0.418 45 F N -0.353 119.591 119.950 -0.010 0.000 2.398 45 F HA -0.269 4.258 4.527 -0.001 0.000 0.484 45 F C 0.484 176.261 175.800 -0.038 0.000 0.537 45 F CA 0.764 58.734 58.000 -0.050 0.000 1.491 45 F CB -1.431 37.526 39.000 -0.072 0.000 2.162 45 F HN 0.624 nan 8.300 nan 0.000 0.263 46 R N 1.232 121.792 120.500 0.101 0.000 2.615 46 R HA 0.520 4.860 4.340 -0.001 0.000 0.270 46 R C 0.569 176.893 176.300 0.040 0.000 1.081 46 R CA -0.781 55.359 56.100 0.066 0.000 1.154 46 R CB 0.507 30.832 30.300 0.042 0.000 1.063 46 R HN 0.100 nan 8.270 nan 0.000 0.519 47 R N 2.131 122.656 120.500 0.041 0.000 2.698 47 R HA 0.040 4.379 4.340 -0.001 0.000 0.266 47 R C -1.908 174.413 176.300 0.034 0.000 1.026 47 R CA -0.848 55.276 56.100 0.041 0.000 1.102 47 R CB -0.141 30.189 30.300 0.050 0.000 0.978 47 R HN 0.414 nan 8.270 nan 0.000 0.436 48 P HA 0.050 nan 4.420 nan 0.000 0.275 48 P C -0.927 176.396 177.300 0.037 0.000 1.228 48 P CA -0.017 63.102 63.100 0.032 0.000 0.786 48 P CB 0.907 32.644 31.700 0.062 0.000 0.927 49 E N 2.414 122.624 120.200 0.016 0.000 2.191 49 E HA 0.434 4.783 4.350 -0.001 0.000 0.274 49 E C -2.269 174.348 176.600 0.030 0.000 0.948 49 E CA -2.638 53.777 56.400 0.026 0.000 0.802 49 E CB 0.044 29.754 29.700 0.015 0.000 1.137 49 E HN 0.320 nan 8.360 nan 0.000 0.397 50 P HA 0.010 nan 4.420 nan 0.000 0.268 50 P C -0.362 176.976 177.300 0.062 0.000 1.205 50 P CA -0.254 62.898 63.100 0.088 0.000 0.771 50 P CB 0.444 32.203 31.700 0.099 0.000 0.858 51 K N 3.323 123.765 120.400 0.071 0.000 2.416 51 K HA 0.070 4.390 4.320 -0.001 0.000 0.283 51 K C -0.268 176.398 176.600 0.110 0.000 1.037 51 K CA 0.264 56.588 56.287 0.061 0.000 0.995 51 K CB -0.067 32.462 32.500 0.050 0.000 0.938 51 K HN 0.223 nan 8.250 nan 0.000 0.475 52 K N 5.934 126.398 120.400 0.106 0.000 2.401 52 K HA 0.122 4.441 4.320 -0.001 0.000 0.278 52 K C -2.175 174.491 176.600 0.110 0.000 1.018 52 K CA -1.537 54.806 56.287 0.094 0.000 0.981 52 K CB 0.214 32.771 32.500 0.095 0.000 0.933 52 K HN 0.522 nan 8.250 nan 0.000 0.477 53 P HA -0.089 nan 4.420 nan 0.000 0.266 53 P C -1.213 176.052 177.300 -0.059 0.000 1.193 53 P CA 0.073 63.059 63.100 -0.190 0.000 0.770 53 P CB 0.278 31.861 31.700 -0.195 0.000 0.836 54 W N 0.960 122.337 121.300 0.129 0.000 2.736 54 W HA 0.749 5.408 4.660 -0.001 0.000 0.355 54 W C -0.740 175.856 176.519 0.128 0.000 1.102 54 W CA -0.795 56.644 57.345 0.157 0.000 1.164 54 W CB 0.084 29.709 29.460 0.275 0.000 1.422 54 W HN 0.102 nan 8.180 nan 0.000 0.572 55 S N 0.586 116.485 115.700 0.331 0.000 2.713 55 S HA 0.758 5.228 4.470 -0.001 0.000 0.283 55 S C 0.447 175.256 174.600 0.348 0.000 1.161 55 S CA 0.556 58.891 58.200 0.225 0.000 0.999 55 S CB 0.807 64.093 63.200 0.143 0.000 1.039 55 S HN 1.486 nan 8.310 nan 0.000 0.548 56 G N -0.053 108.885 108.800 0.230 0.000 2.698 56 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.233 56 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.233 56 G C -0.909 174.177 174.900 0.310 0.000 1.352 56 G CA -0.402 44.824 45.100 0.211 0.000 0.879 56 G HN 0.952 nan 8.290 nan 0.000 0.567 57 V N 0.799 120.842 119.914 0.215 0.000 2.370 57 V HA 0.468 4.587 4.120 -0.001 0.000 0.283 57 V C 0.351 176.533 176.094 0.147 0.000 1.023 57 V CA -0.519 61.925 62.300 0.241 0.000 0.857 57 V CB 1.712 33.623 31.823 0.148 0.000 0.985 57 V HN 0.704 nan 8.190 nan 0.000 0.443 58 W N 5.703 127.025 121.300 0.037 0.000 2.356 58 W HA 0.199 4.859 4.660 -0.001 0.000 0.311 58 W C 0.308 176.784 176.519 -0.071 0.000 1.328 58 W CA -0.451 56.755 57.345 -0.231 0.000 1.251 58 W CB 0.741 29.837 29.460 -0.608 0.000 1.280 58 W HN 0.626 nan 8.180 nan 0.000 0.524 59 N N 4.725 123.179 118.700 -0.409 0.000 2.406 59 N HA 0.126 4.865 4.740 -0.001 0.000 0.265 59 N C -0.406 175.112 175.510 0.014 0.000 1.203 59 N CA 0.339 53.287 53.050 -0.170 0.000 0.945 59 N CB 0.896 39.230 38.487 -0.255 0.000 1.165 59 N HN 0.398 nan 8.380 nan 0.000 0.485 60 A N 2.847 125.774 122.820 0.178 0.000 3.106 60 A HA 0.181 4.501 4.320 -0.001 0.000 0.306 60 A C 1.068 178.666 177.584 0.023 0.000 1.192 60 A CA -0.422 51.744 52.037 0.215 0.000 0.994 60 A CB -0.424 18.793 19.000 0.361 0.000 1.107 60 A HN 0.639 nan 8.150 nan 0.000 0.585 61 S N -0.922 114.750 115.700 -0.047 0.000 2.524 61 S HA 0.173 4.643 4.470 -0.001 0.000 0.215 61 S C 0.794 175.301 174.600 -0.156 0.000 0.986 61 S CA 0.638 58.765 58.200 -0.121 0.000 0.911 61 S CB -0.241 62.894 63.200 -0.108 0.000 0.805 61 S HN 0.921 nan 8.310 nan 0.000 0.501 62 T N -1.178 113.299 114.554 -0.128 0.000 2.896 62 T HA 0.633 4.983 4.350 -0.001 0.000 0.297 62 T C -0.893 173.763 174.700 -0.074 0.000 1.108 62 T CA -0.766 61.249 62.100 -0.142 0.000 1.004 62 T CB 0.684 69.498 68.868 -0.090 0.000 1.159 62 T HN 0.055 nan 8.240 nan 0.000 0.499 63 Y N 2.776 123.040 120.300 -0.061 0.000 2.578 63 Y HA 0.326 4.876 4.550 -0.001 0.000 0.339 63 Y C -1.334 174.502 175.900 -0.106 0.000 1.231 63 Y CA -1.306 56.760 58.100 -0.058 0.000 1.461 63 Y CB 0.055 38.500 38.460 -0.024 0.000 1.323 63 Y HN 0.563 nan 8.280 nan 0.000 0.590 64 P HA 0.113 nan 4.420 nan 0.000 0.282 64 P C -0.656 176.570 177.300 -0.125 0.000 1.287 64 P CA -0.542 62.443 63.100 -0.192 0.000 0.792 64 P CB 0.928 32.432 31.700 -0.327 0.000 1.163 65 N N 0.218 118.815 118.700 -0.172 0.000 2.371 65 N HA 0.113 4.853 4.740 -0.001 0.000 0.243 65 N C 0.005 175.484 175.510 -0.051 0.000 1.287 65 N CA 0.203 53.198 53.050 -0.092 0.000 0.911 65 N CB -0.180 38.259 38.487 -0.079 0.000 1.142 65 N HN 0.419 nan 8.380 nan 0.000 0.451 66 N N -0.814 117.849 118.700 -0.062 0.000 2.466 66 N HA 0.327 5.066 4.740 -0.001 0.000 0.294 66 N C -0.471 175.003 175.510 -0.060 0.000 1.129 66 N CA -0.690 52.322 53.050 -0.064 0.000 0.931 66 N CB 1.093 39.515 38.487 -0.108 0.000 1.193 66 N HN 0.403 nan 8.380 nan 0.000 0.500 67 c N 1.143 119.713 118.600 -0.051 0.000 2.700 67 c HA 0.050 4.620 4.570 -0.001 0.000 0.397 67 c C 0.639 174.651 174.090 -0.130 0.000 1.301 67 c CA -0.583 55.695 56.329 -0.086 0.000 2.219 67 c CB -0.098 42.388 42.510 -0.040 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.506 122.148 119.800 -0.263 0.000 2.274 68 Q HA 0.199 4.539 4.340 -0.001 0.000 0.280 68 Q C -0.062 175.893 176.000 -0.076 0.000 1.047 68 Q CA 1.022 56.649 55.803 -0.292 0.000 0.907 68 Q CB 0.395 28.689 28.738 -0.741 0.000 1.171 68 Q HN 0.889 nan 8.270 nan 0.000 0.381 69 Q N 1.399 121.240 119.800 0.070 0.000 2.578 69 Q HA 0.287 4.626 4.340 -0.001 0.000 0.284 69 Q C -1.292 174.894 176.000 0.310 0.000 0.960 69 Q CA -0.993 54.953 55.803 0.239 0.000 0.809 69 Q CB 0.673 29.514 28.738 0.171 0.000 1.462 69 Q HN 0.471 nan 8.270 nan 0.000 0.392 70 Y N 1.104 121.602 120.300 0.331 0.000 2.683 70 Y HA 0.319 4.868 4.550 -0.001 0.000 0.340 70 Y C -0.990 175.076 175.900 0.277 0.000 1.245 70 Y CA 0.522 58.834 58.100 0.354 0.000 1.485 70 Y CB 0.849 39.633 38.460 0.539 0.000 1.328 70 Y HN 0.454 nan 8.280 nan 0.000 0.603 71 V N 6.284 125.929 119.914 -0.447 0.000 2.487 71 V HA 0.137 4.257 4.120 -0.001 0.000 0.298 71 V C -0.676 175.154 176.094 -0.440 0.000 1.028 71 V CA -1.153 60.989 62.300 -0.263 0.000 0.860 71 V CB 1.558 33.293 31.823 -0.147 0.000 0.991 71 V HN 0.753 nan 8.190 nan 0.000 0.427 72 D N 3.641 124.015 120.400 -0.044 0.000 2.346 72 D HA 0.098 4.738 4.640 -0.001 0.000 0.260 72 D C 0.610 176.962 176.300 0.087 0.000 1.252 72 D CA 0.456 54.536 54.000 0.132 0.000 0.895 72 D CB 0.971 41.971 40.800 0.334 0.000 1.097 72 D HN 0.694 nan 8.370 nan 0.000 0.489 73 E N 2.352 122.568 120.200 0.026 0.000 2.583 73 E HA -0.051 4.298 4.350 -0.001 0.000 0.213 73 E C 0.961 177.546 176.600 -0.024 0.000 0.989 73 E CA -0.133 56.274 56.400 0.011 0.000 0.991 73 E CB 0.589 30.261 29.700 -0.047 0.000 1.040 73 E HN 0.328 nan 8.360 nan 0.000 0.481 74 Q N -0.103 119.674 119.800 -0.038 0.000 2.248 74 Q HA -0.107 4.233 4.340 -0.001 0.000 0.208 74 Q C -0.345 175.193 176.000 -0.770 0.000 0.984 74 Q CA 1.367 56.932 55.803 -0.396 0.000 0.875 74 Q CB 0.118 28.590 28.738 -0.444 0.000 0.910 74 Q HN 0.122 nan 8.270 nan 0.000 0.433 75 F N -0.388 119.639 119.950 0.127 0.000 2.794 75 F HA 0.373 4.900 4.527 -0.001 0.000 0.353 75 F C -2.283 173.599 175.800 0.137 0.000 1.371 75 F CA -2.811 55.244 58.000 0.091 0.000 1.173 75 F CB 1.200 40.256 39.000 0.093 0.000 1.693 75 F HN -0.170 nan 8.300 nan 0.000 0.606 76 P HA 0.130 nan 4.420 nan 0.000 0.258 76 P C 1.028 178.416 177.300 0.148 0.000 1.172 76 P CA 1.531 64.710 63.100 0.130 0.000 0.762 76 P CB 0.579 32.318 31.700 0.065 0.000 0.764 77 G N 2.703 111.579 108.800 0.127 0.000 2.267 77 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.257 77 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.257 77 G C 0.054 175.035 174.900 0.134 0.000 0.998 77 G CA -0.370 44.789 45.100 0.098 0.000 0.620 77 G HN 0.540 nan 8.290 nan 0.000 0.529 78 F N 3.173 123.132 119.950 0.016 0.000 2.467 78 F HA 0.518 5.044 4.527 -0.001 0.000 0.362 78 F C 1.641 177.396 175.800 -0.074 0.000 1.090 78 F CA -0.081 57.876 58.000 -0.071 0.000 1.202 78 F CB 1.274 40.218 39.000 -0.093 0.000 1.113 78 F HN 0.239 nan 8.300 nan 0.000 0.541 79 S N 3.129 118.452 115.700 -0.629 0.000 2.481 79 S HA -0.008 4.462 4.470 -0.001 0.000 0.231 79 S C 2.096 176.325 174.600 -0.618 0.000 0.996 79 S CA 0.564 58.461 58.200 -0.505 0.000 0.942 79 S CB -0.844 62.115 63.200 -0.402 0.000 0.768 79 S HN 0.817 nan 8.310 nan 0.000 0.520 80 G N 2.088 110.053 108.800 -1.393 0.000 2.440 80 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 80 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 80 G C 1.742 176.943 174.900 0.502 0.000 1.154 80 G CA 1.249 45.869 45.100 -0.800 0.000 0.767 80 G HN 0.774 nan 8.290 nan 0.000 0.552 81 S N -0.091 115.956 115.700 0.578 0.000 2.441 81 S HA 0.121 4.590 4.470 -0.001 0.000 0.224 81 S C 1.879 176.802 174.600 0.539 0.000 1.043 81 S CA 0.910 59.675 58.200 0.943 0.000 0.948 81 S CB -0.053 63.791 63.200 1.074 0.000 0.810 81 S HN 0.437 nan 8.310 nan 0.000 0.504 82 E N 1.800 122.150 120.200 0.251 0.000 2.204 82 E HA -0.072 4.277 4.350 -0.001 0.000 0.194 82 E C 2.088 178.659 176.600 -0.048 0.000 0.989 82 E CA 1.305 57.764 56.400 0.099 0.000 0.824 82 E CB -0.378 29.344 29.700 0.037 0.000 0.756 82 E HN 0.819 nan 8.360 nan 0.000 0.477 83 M N -1.492 117.980 119.600 -0.213 0.000 2.460 83 M HA -0.083 4.397 4.480 -0.001 0.000 0.263 83 M C 0.915 176.845 176.300 -0.616 0.000 1.071 83 M CA 1.325 56.335 55.300 -0.483 0.000 1.096 83 M CB -0.321 31.864 32.600 -0.690 0.000 1.408 83 M HN 0.052 nan 8.290 nan 0.000 0.463 84 W N 1.306 122.550 121.300 -0.094 0.000 3.077 84 W HA 0.240 4.900 4.660 -0.001 0.000 0.266 84 W C 0.609 177.046 176.519 -0.135 0.000 1.300 84 W CA -0.839 56.418 57.345 -0.147 0.000 1.586 84 W CB -0.243 29.156 29.460 -0.102 0.000 1.103 84 W HN 0.143 nan 8.180 nan 0.000 0.652 85 N N 1.442 120.191 118.700 0.083 0.000 2.424 85 N HA 0.139 4.879 4.740 -0.001 0.000 0.257 85 N C -2.436 173.041 175.510 -0.055 0.000 1.250 85 N CA -1.417 51.653 53.050 0.032 0.000 0.946 85 N CB -0.305 38.204 38.487 0.036 0.000 1.175 85 N HN -0.366 nan 8.380 nan 0.000 0.477 86 P HA 0.065 nan 4.420 nan 0.000 0.265 86 P C 0.033 177.274 177.300 -0.098 0.000 1.193 86 P CA 0.038 63.078 63.100 -0.101 0.000 0.765 86 P CB 0.211 31.863 31.700 -0.080 0.000 0.823 87 N N 2.224 120.849 118.700 -0.125 0.000 2.273 87 N HA 0.095 4.834 4.740 -0.001 0.000 0.231 87 N C 0.203 175.664 175.510 -0.081 0.000 1.134 87 N CA -0.108 52.880 53.050 -0.103 0.000 0.856 87 N CB 0.322 38.735 38.487 -0.124 0.000 1.068 87 N HN 0.162 nan 8.380 nan 0.000 0.510 88 R N -0.025 120.425 120.500 -0.084 0.000 2.869 88 R HA 0.297 4.637 4.340 -0.001 0.000 0.263 88 R C -0.610 175.654 176.300 -0.060 0.000 1.066 88 R CA -0.686 55.375 56.100 -0.065 0.000 0.960 88 R CB 1.407 31.661 30.300 -0.076 0.000 1.221 88 R HN 0.365 nan 8.270 nan 0.000 0.474 89 E N 1.257 121.425 120.200 -0.054 0.000 2.383 89 E HA 0.137 4.487 4.350 -0.001 0.000 0.264 89 E C -0.493 176.071 176.600 -0.061 0.000 1.050 89 E CA -0.073 56.296 56.400 -0.052 0.000 0.896 89 E CB 0.757 30.428 29.700 -0.048 0.000 0.982 89 E HN 0.267 nan 8.360 nan 0.000 0.424 90 M N 2.396 121.960 119.600 -0.061 0.000 2.314 90 M HA 0.291 4.770 4.480 -0.001 0.000 0.342 90 M C -0.311 175.939 176.300 -0.084 0.000 1.171 90 M CA -0.279 54.975 55.300 -0.075 0.000 1.098 90 M CB 1.716 34.272 32.600 -0.074 0.000 1.559 90 M HN 0.473 nan 8.290 nan 0.000 0.459 91 S N 0.180 115.818 115.700 -0.103 0.000 2.543 91 S HA 0.211 4.681 4.470 -0.001 0.000 0.274 91 S C -0.075 174.439 174.600 -0.144 0.000 1.149 91 S CA -0.658 57.478 58.200 -0.106 0.000 0.866 91 S CB 1.492 64.656 63.200 -0.060 0.000 1.111 91 S HN 0.834 nan 8.310 nan 0.000 0.457 92 E N 0.909 121.004 120.200 -0.175 0.000 2.347 92 E HA -0.061 4.289 4.350 -0.001 0.000 0.196 92 E C -0.299 176.239 176.600 -0.103 0.000 1.008 92 E CA 0.457 56.732 56.400 -0.208 0.000 0.852 92 E CB 0.153 29.728 29.700 -0.208 0.000 0.783 92 E HN 0.494 nan 8.360 nan 0.000 0.505 93 D N 0.309 120.684 120.400 -0.042 0.000 2.453 93 D HA 0.005 4.644 4.640 -0.001 0.000 0.223 93 D C -0.088 176.298 176.300 0.143 0.000 1.183 93 D CA -0.345 53.676 54.000 0.036 0.000 0.933 93 D CB 0.129 40.971 40.800 0.070 0.000 1.038 93 D HN 0.125 nan 8.370 nan 0.000 0.513 94 c N 2.705 121.372 118.600 0.113 0.000 3.798 94 c HA 0.369 4.939 4.570 -0.001 0.000 0.285 94 c C 0.479 174.677 174.090 0.180 0.000 1.968 94 c CA -0.697 55.762 56.329 0.217 0.000 1.685 94 c CB -1.319 41.232 42.510 0.069 0.000 3.276 94 c HN 0.451 nan 8.230 nan 0.000 0.525 95 L N 2.706 123.785 121.223 -0.239 0.000 2.404 95 L HA 0.432 4.772 4.340 -0.001 0.000 0.277 95 L C -0.849 175.301 176.870 -1.200 0.000 1.184 95 L CA 0.510 54.959 54.840 -0.652 0.000 1.013 95 L CB -0.527 41.016 42.059 -0.860 0.000 1.318 95 L HN 0.375 nan 8.230 nan 0.000 0.435 96 Y N 2.001 122.218 120.300 -0.138 0.000 2.605 96 Y HA 0.680 5.229 4.550 -0.001 0.000 0.343 96 Y C -0.088 176.037 175.900 0.375 0.000 1.036 96 Y CA -1.307 56.805 58.100 0.020 0.000 1.065 96 Y CB 1.757 40.201 38.460 -0.028 0.000 1.288 96 Y HN 0.193 nan 8.280 nan 0.000 0.481 97 L N -0.248 121.186 121.223 0.351 0.000 2.283 97 L HA 0.799 5.139 4.340 -0.001 0.000 0.259 97 L C -1.221 175.709 176.870 0.099 0.000 1.027 97 L CA -1.066 53.883 54.840 0.181 0.000 0.828 97 L CB 1.760 43.811 42.059 -0.013 0.000 1.380 97 L HN 0.461 nan 8.230 nan 0.000 0.425 98 N N 0.987 119.741 118.700 0.090 0.000 2.225 98 N HA 0.721 5.460 4.740 -0.001 0.000 0.298 98 N C -1.416 174.048 175.510 -0.077 0.000 1.076 98 N CA -0.227 52.794 53.050 -0.049 0.000 0.792 98 N CB 2.782 41.233 38.487 -0.059 0.000 1.498 98 N HN 0.638 nan 8.380 nan 0.000 0.474 99 I N 0.428 120.878 120.570 -0.201 0.000 2.533 99 I HA 0.404 4.574 4.170 -0.001 0.000 0.290 99 I C -0.791 175.325 176.117 -0.002 0.000 1.056 99 I CA -0.698 60.590 61.300 -0.020 0.000 1.057 99 I CB 2.314 40.222 38.000 -0.152 0.000 1.240 99 I HN 0.230 nan 8.210 nan 0.000 0.423 100 W N 5.680 127.109 121.300 0.216 0.000 2.475 100 W HA 0.626 5.286 4.660 -0.001 0.000 0.317 100 W C -1.054 175.602 176.519 0.230 0.000 1.046 100 W CA -0.670 56.798 57.345 0.204 0.000 1.215 100 W CB 2.245 31.796 29.460 0.151 0.000 1.335 100 W HN 0.083 nan 8.180 nan 0.000 0.471 101 V N 4.613 124.798 119.914 0.452 0.000 2.531 101 V HA 0.272 4.391 4.120 -0.001 0.000 0.301 101 V C -2.038 174.248 176.094 0.321 0.000 1.034 101 V CA -2.329 60.204 62.300 0.388 0.000 0.865 101 V CB 2.006 34.118 31.823 0.482 0.000 0.995 101 V HN 0.272 nan 8.190 nan 0.000 0.424 102 P HA 0.091 nan 4.420 nan 0.000 0.270 102 P C -0.529 176.902 177.300 0.218 0.000 1.221 102 P CA 0.243 63.484 63.100 0.236 0.000 0.788 102 P CB 0.479 32.289 31.700 0.183 0.000 0.904 103 S N 0.864 116.686 115.700 0.204 0.000 2.594 103 S HA 0.546 5.015 4.470 -0.001 0.000 0.296 103 S C -2.518 172.173 174.600 0.151 0.000 1.124 103 S CA -1.440 56.862 58.200 0.170 0.000 1.011 103 S CB 0.194 63.490 63.200 0.159 0.000 1.016 103 S HN 0.261 nan 8.310 nan 0.000 0.485 104 P HA 0.224 nan 4.420 nan 0.000 0.272 104 P C -0.562 176.816 177.300 0.130 0.000 1.230 104 P CA -0.636 62.533 63.100 0.115 0.000 0.788 104 P CB 0.436 32.190 31.700 0.089 0.000 0.949 105 R N 1.961 122.545 120.500 0.140 0.000 2.480 105 R HA 0.096 4.435 4.340 -0.001 0.000 0.303 105 R C -1.872 174.501 176.300 0.123 0.000 0.985 105 R CA -0.860 55.335 56.100 0.158 0.000 1.051 105 R CB -0.531 29.866 30.300 0.161 0.000 0.935 105 R HN 0.369 nan 8.270 nan 0.000 0.410 106 P HA 0.032 nan 4.420 nan 0.000 0.271 106 P C -0.192 177.152 177.300 0.072 0.000 1.244 106 P CA -0.337 62.818 63.100 0.093 0.000 0.793 106 P CB 0.696 32.455 31.700 0.099 0.000 0.984 107 K N -0.487 119.943 120.400 0.049 0.000 2.172 107 K HA 0.144 4.463 4.320 -0.001 0.000 0.203 107 K C 0.682 177.290 176.600 0.014 0.000 1.040 107 K CA 1.028 57.333 56.287 0.029 0.000 0.974 107 K CB -0.389 32.123 32.500 0.020 0.000 0.857 107 K HN 0.309 nan 8.250 nan 0.000 0.464 108 S N 1.140 116.849 115.700 0.014 0.000 2.440 108 S HA 0.194 4.664 4.470 -0.001 0.000 0.142 108 S C -0.933 173.672 174.600 0.009 0.000 1.578 108 S CA -0.353 57.846 58.200 -0.001 0.000 1.260 108 S CB 0.289 63.478 63.200 -0.019 0.000 1.407 108 S HN 0.148 nan 8.310 nan 0.000 0.392 109 T N 1.753 116.323 114.554 0.027 0.000 2.948 109 T HA 0.526 4.876 4.350 -0.001 0.000 0.285 109 T C 0.130 174.846 174.700 0.027 0.000 1.019 109 T CA -0.077 62.041 62.100 0.030 0.000 1.013 109 T CB 1.067 69.965 68.868 0.049 0.000 1.117 109 T HN 0.418 nan 8.240 nan 0.000 0.533 110 T N 2.524 117.088 114.554 0.017 0.000 2.905 110 T HA 0.264 4.614 4.350 -0.001 0.000 0.299 110 T C -0.162 174.560 174.700 0.037 0.000 1.024 110 T CA -0.143 61.962 62.100 0.010 0.000 1.151 110 T CB 0.056 68.916 68.868 -0.012 0.000 0.987 110 T HN 0.406 nan 8.240 nan 0.000 0.535 111 V N 5.240 125.181 119.914 0.045 0.000 2.547 111 V HA 0.532 4.652 4.120 -0.001 0.000 0.299 111 V C 0.078 176.226 176.094 0.089 0.000 1.040 111 V CA -0.808 61.542 62.300 0.083 0.000 0.913 111 V CB 1.735 33.613 31.823 0.092 0.000 0.992 111 V HN 0.836 nan 8.190 nan 0.000 0.449 112 M N 4.061 123.743 119.600 0.137 0.000 2.197 112 M HA 0.532 5.011 4.480 -0.001 0.000 0.301 112 M C -1.395 175.140 176.300 0.391 0.000 0.987 112 M CA -0.546 54.859 55.300 0.175 0.000 0.921 112 M CB 2.200 34.799 32.600 -0.002 0.000 1.569 112 M HN 0.364 nan 8.290 nan 0.000 0.431 113 V N 3.181 123.360 119.914 0.442 0.000 2.384 113 V HA 0.370 4.489 4.120 -0.001 0.000 0.287 113 V C -0.816 175.570 176.094 0.487 0.000 1.020 113 V CA -0.595 61.945 62.300 0.401 0.000 0.850 113 V CB 1.667 33.599 31.823 0.182 0.000 0.987 113 V HN 0.862 nan 8.190 nan 0.000 0.436 114 W N 6.954 128.343 121.300 0.149 0.000 2.351 114 W HA 0.636 5.296 4.660 -0.001 0.000 0.311 114 W C -1.340 175.069 176.519 -0.184 0.000 1.168 114 W CA -0.787 56.404 57.345 -0.257 0.000 1.200 114 W CB 1.266 30.606 29.460 -0.201 0.000 1.221 114 W HN 0.444 nan 8.180 nan 0.000 0.519 115 I N 9.224 129.138 120.570 -1.094 0.000 2.390 115 I HA 0.059 4.229 4.170 -0.001 0.000 0.283 115 I C -0.253 175.102 176.117 -1.269 0.000 1.016 115 I CA -1.128 59.620 61.300 -0.920 0.000 1.151 115 I CB 0.578 38.226 38.000 -0.586 0.000 1.293 115 I HN 0.298 nan 8.210 nan 0.000 0.458 116 Y N 4.507 124.311 120.300 -0.825 0.000 2.550 116 Y HA 0.566 5.115 4.550 -0.001 0.000 0.343 116 Y C 0.774 176.504 175.900 -0.283 0.000 1.245 116 Y CA -0.764 56.992 58.100 -0.573 0.000 1.462 116 Y CB -0.144 38.228 38.460 -0.147 0.000 1.340 116 Y HN 0.525 nan 8.280 nan 0.000 0.604 117 G N -0.567 108.250 108.800 0.028 0.000 2.568 117 G HA2 0.500 4.460 3.960 -0.001 0.000 0.293 117 G HA3 0.500 4.460 3.960 -0.001 0.000 0.293 117 G C 0.290 175.133 174.900 -0.094 0.000 1.347 117 G CA -0.907 44.141 45.100 -0.086 0.000 1.039 117 G HN 1.731 nan 8.290 nan 0.000 0.523 118 G N -2.797 105.791 108.800 -0.353 0.000 2.223 118 G HA2 0.408 4.368 3.960 -0.001 0.000 0.200 118 G HA3 0.408 4.368 3.960 -0.001 0.000 0.200 118 G C 1.016 175.365 174.900 -0.919 0.000 1.061 118 G CA 0.689 45.449 45.100 -0.567 0.000 0.790 118 G HN 2.293 nan 8.290 nan 0.000 0.498 119 G N -0.348 107.913 108.800 -0.899 0.000 2.233 119 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.270 119 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.270 119 G C 0.945 175.621 174.900 -0.374 0.000 1.011 119 G CA 0.829 45.237 45.100 -1.154 0.000 0.762 119 G HN 1.757 nan 8.290 nan 0.000 0.511 120 F N -3.497 116.353 119.950 -0.166 0.000 2.871 120 F HA -0.320 4.206 4.527 -0.001 0.000 0.326 120 F C 1.462 177.362 175.800 0.166 0.000 0.675 120 F CA 2.123 60.130 58.000 0.011 0.000 1.188 120 F CB -2.103 36.743 39.000 -0.257 0.000 1.567 120 F HN 0.891 nan 8.300 nan 0.000 0.325 121 Y N -0.876 119.516 120.300 0.153 0.000 2.500 121 Y HA 0.659 5.209 4.550 -0.001 0.000 0.246 121 Y C 0.594 176.610 175.900 0.193 0.000 1.146 121 Y CA 0.210 58.429 58.100 0.198 0.000 1.230 121 Y CB 0.038 38.565 38.460 0.112 0.000 1.214 121 Y HN 0.120 nan 8.280 nan 0.000 0.526 122 S N -0.961 114.527 115.700 -0.353 0.000 2.703 122 S HA 0.853 5.323 4.470 -0.001 0.000 0.273 122 S C -0.269 174.160 174.600 -0.285 0.000 1.178 122 S CA -0.466 57.585 58.200 -0.248 0.000 0.838 122 S CB 1.329 64.307 63.200 -0.370 0.000 1.178 122 S HN 1.356 nan 8.310 nan 0.000 0.494 123 G N -0.395 108.213 108.800 -0.320 0.000 2.428 123 G HA2 0.436 4.396 3.960 -0.001 0.000 0.681 123 G HA3 0.436 4.396 3.960 -0.001 0.000 0.681 123 G C -1.004 173.264 174.900 -1.053 0.000 1.340 123 G CA -0.259 44.491 45.100 -0.584 0.000 0.915 123 G HN 1.457 nan 8.290 nan 0.000 0.645 124 S N -1.154 113.889 115.700 -1.095 0.000 2.537 124 S HA 0.695 5.164 4.470 -0.001 0.000 0.270 124 S C 0.928 175.363 174.600 -0.276 0.000 1.142 124 S CA 0.159 57.931 58.200 -0.714 0.000 0.870 124 S CB 1.773 64.783 63.200 -0.317 0.000 1.112 124 S HN 1.982 nan 8.310 nan 0.000 0.466 125 S N -0.152 115.594 115.700 0.078 0.000 2.528 125 S HA -0.042 4.428 4.470 -0.001 0.000 0.219 125 S C 1.326 176.033 174.600 0.177 0.000 0.985 125 S CA 0.862 59.295 58.200 0.389 0.000 0.914 125 S CB -0.573 62.880 63.200 0.423 0.000 0.776 125 S HN 0.836 nan 8.310 nan 0.000 0.526 126 T N 0.219 114.675 114.554 -0.162 0.000 3.086 126 T HA 0.413 4.762 4.350 -0.001 0.000 0.250 126 T C 0.522 174.960 174.700 -0.437 0.000 1.074 126 T CA -0.549 61.170 62.100 -0.636 0.000 0.988 126 T CB -0.587 67.716 68.868 -0.941 0.000 0.988 126 T HN 0.313 nan 8.240 nan 0.000 0.530 127 L N 1.883 122.923 121.223 -0.305 0.000 2.483 127 L HA 0.158 4.498 4.340 -0.001 0.000 0.275 127 L C 1.398 178.036 176.870 -0.386 0.000 1.220 127 L CA -0.545 54.031 54.840 -0.439 0.000 0.833 127 L CB 0.318 41.907 42.059 -0.783 0.000 1.102 127 L HN 0.049 nan 8.230 nan 0.000 0.490 128 D N 0.997 121.182 120.400 -0.357 0.000 2.123 128 D HA -0.145 4.495 4.640 -0.001 0.000 0.196 128 D C 1.966 178.066 176.300 -0.334 0.000 0.992 128 D CA 1.410 55.258 54.000 -0.254 0.000 0.833 128 D CB -0.117 40.542 40.800 -0.234 0.000 0.954 128 D HN 0.506 nan 8.370 nan 0.000 0.455 129 V N -0.994 118.582 119.914 -0.562 0.000 3.078 129 V HA -0.152 3.967 4.120 -0.001 0.000 0.265 129 V C 1.255 176.920 176.094 -0.714 0.000 1.122 129 V CA 1.006 62.957 62.300 -0.582 0.000 1.141 129 V CB -1.131 30.266 31.823 -0.711 0.000 0.735 129 V HN 0.080 nan 8.190 nan 0.000 0.498 130 Y N -0.165 119.699 120.300 -0.727 0.000 2.485 130 Y HA 0.409 4.959 4.550 -0.001 0.000 0.260 130 Y C 1.169 176.611 175.900 -0.764 0.000 1.173 130 Y CA -1.736 55.633 58.100 -1.218 0.000 1.252 130 Y CB -0.944 37.084 38.460 -0.720 0.000 1.123 130 Y HN 0.246 nan 8.280 nan 0.000 0.524 131 N N 1.510 120.035 118.700 -0.292 0.000 2.414 131 N HA -0.055 4.685 4.740 -0.001 0.000 0.268 131 N C 1.353 176.526 175.510 -0.561 0.000 1.286 131 N CA 0.763 53.642 53.050 -0.284 0.000 0.896 131 N CB 1.141 39.559 38.487 -0.115 0.000 1.093 131 N HN 0.493 nan 8.380 nan 0.000 0.480 132 G N 3.419 111.254 108.800 -1.607 0.000 2.744 132 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.211 132 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.211 132 G C 1.448 175.733 174.900 -1.025 0.000 1.143 132 G CA 0.364 44.705 45.100 -1.265 0.000 0.788 132 G HN 0.751 nan 8.290 nan 0.000 0.534 133 K N -0.306 119.345 120.400 -1.248 0.000 2.147 133 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 133 K C 1.692 178.037 176.600 -0.426 0.000 1.049 133 K CA 0.989 56.875 56.287 -0.668 0.000 0.936 133 K CB -0.457 31.735 32.500 -0.513 0.000 0.722 133 K HN 0.332 nan 8.250 nan 0.000 0.446 134 Y N 0.951 121.196 120.300 -0.092 0.000 2.220 134 Y HA -0.078 4.471 4.550 -0.001 0.000 0.291 134 Y C 2.260 178.169 175.900 0.016 0.000 1.129 134 Y CA 0.442 58.547 58.100 0.008 0.000 1.161 134 Y CB -0.466 37.971 38.460 -0.038 0.000 0.997 134 Y HN 0.010 nan 8.280 nan 0.000 0.522 135 L N 0.049 121.301 121.223 0.048 0.000 2.072 135 L HA -0.003 4.337 4.340 -0.001 0.000 0.205 135 L C 2.378 179.262 176.870 0.024 0.000 1.079 135 L CA 1.730 56.565 54.840 -0.009 0.000 0.752 135 L CB -1.246 40.738 42.059 -0.124 0.000 0.906 135 L HN 0.146 nan 8.230 nan 0.000 0.436 136 A N -1.241 121.607 122.820 0.046 0.000 1.865 136 A HA -0.314 4.005 4.320 -0.001 0.000 0.217 136 A C 2.318 179.989 177.584 0.146 0.000 1.191 136 A CA 2.058 54.172 52.037 0.128 0.000 0.623 136 A CB -1.251 17.881 19.000 0.219 0.000 0.826 136 A HN 0.571 nan 8.150 nan 0.000 0.444 137 Y N 1.218 121.537 120.300 0.031 0.000 2.089 137 Y HA -0.187 4.362 4.550 -0.001 0.000 0.282 137 Y C 2.706 178.629 175.900 0.039 0.000 1.139 137 Y CA 2.445 60.567 58.100 0.037 0.000 1.123 137 Y CB -0.926 37.539 38.460 0.009 0.000 0.980 137 Y HN 0.303 nan 8.280 nan 0.000 0.493 138 T N 0.472 114.950 114.554 -0.127 0.000 2.746 138 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 138 T C 1.320 175.931 174.700 -0.149 0.000 1.039 138 T CA 1.766 63.734 62.100 -0.220 0.000 1.142 138 T CB -0.139 68.710 68.868 -0.030 0.000 0.866 138 T HN 0.343 nan 8.240 nan 0.000 0.444 139 E N 0.686 120.856 120.200 -0.050 0.000 2.481 139 E HA 0.079 4.428 4.350 -0.001 0.000 0.198 139 E C -0.004 176.598 176.600 0.004 0.000 1.027 139 E CA 0.038 56.440 56.400 0.003 0.000 0.900 139 E CB 0.076 29.796 29.700 0.033 0.000 0.993 139 E HN 0.634 nan 8.360 nan 0.000 0.482 140 E N 0.087 120.282 120.200 -0.009 0.000 2.252 140 E HA -0.166 4.184 4.350 -0.001 0.000 0.218 140 E C -0.031 176.602 176.600 0.055 0.000 1.253 140 E CA 0.447 56.863 56.400 0.027 0.000 0.705 140 E CB -2.318 27.389 29.700 0.012 0.000 1.172 140 E HN 0.114 nan 8.360 nan 0.000 0.369 141 V N -3.569 116.388 119.914 0.071 0.000 2.864 141 V HA 0.639 4.759 4.120 -0.001 0.000 0.314 141 V C 0.431 176.606 176.094 0.135 0.000 1.073 141 V CA -1.192 61.156 62.300 0.080 0.000 0.956 141 V CB 2.282 34.133 31.823 0.048 0.000 1.023 141 V HN 0.017 nan 8.190 nan 0.000 0.435 142 V N 4.830 124.832 119.914 0.147 0.000 2.389 142 V HA 0.251 4.371 4.120 -0.001 0.000 0.264 142 V C 0.113 176.342 176.094 0.226 0.000 1.049 142 V CA -0.228 62.192 62.300 0.200 0.000 0.932 142 V CB 0.967 32.895 31.823 0.175 0.000 1.011 142 V HN 0.759 nan 8.190 nan 0.000 0.475 143 L N 7.699 129.109 121.223 0.312 0.000 2.264 143 L HA 0.559 4.899 4.340 -0.001 0.000 0.289 143 L C -0.418 176.748 176.870 0.492 0.000 1.044 143 L CA 0.194 55.260 54.840 0.377 0.000 0.807 143 L CB 1.629 43.895 42.059 0.344 0.000 1.192 143 L HN 0.382 nan 8.230 nan 0.000 0.425 144 V N 4.094 124.267 119.914 0.431 0.000 2.581 144 V HA 0.559 4.679 4.120 -0.001 0.000 0.303 144 V C 0.046 176.419 176.094 0.464 0.000 1.041 144 V CA -0.564 61.968 62.300 0.387 0.000 0.907 144 V CB 2.164 34.127 31.823 0.232 0.000 0.994 144 V HN 0.921 nan 8.190 nan 0.000 0.442 145 S N 4.747 120.726 115.700 0.466 0.000 2.502 145 S HA 0.841 5.311 4.470 -0.001 0.000 0.304 145 S C -0.778 173.994 174.600 0.286 0.000 1.097 145 S CA -0.807 57.676 58.200 0.472 0.000 1.045 145 S CB 1.694 65.283 63.200 0.648 0.000 1.019 145 S HN 0.649 nan 8.310 nan 0.000 0.481 146 L N 0.501 121.817 121.223 0.154 0.000 2.492 146 L HA 1.002 5.341 4.340 -0.001 0.000 0.263 146 L C 0.121 177.087 176.870 0.161 0.000 1.062 146 L CA -0.703 54.168 54.840 0.053 0.000 0.817 146 L CB 0.138 42.094 42.059 -0.171 0.000 1.441 146 L HN 0.908 nan 8.230 nan 0.000 0.493 147 S N -1.625 114.222 115.700 0.244 0.000 2.618 147 S HA 0.890 5.359 4.470 -0.001 0.000 0.277 147 S C -1.309 173.506 174.600 0.358 0.000 1.138 147 S CA -0.527 57.857 58.200 0.308 0.000 0.844 147 S CB 1.538 64.997 63.200 0.431 0.000 1.127 147 S HN 1.199 nan 8.310 nan 0.000 0.474 148 Y N -1.659 118.734 120.300 0.156 0.000 2.592 148 Y HA 0.687 5.236 4.550 -0.001 0.000 0.334 148 Y C -0.714 175.313 175.900 0.212 0.000 1.136 148 Y CA -1.377 56.817 58.100 0.157 0.000 1.042 148 Y CB 0.717 39.219 38.460 0.069 0.000 1.325 148 Y HN 0.785 nan 8.280 nan 0.000 0.457 149 R N 1.771 122.400 120.500 0.215 0.000 2.590 149 R HA 0.522 4.861 4.340 -0.001 0.000 0.274 149 R C -0.060 176.405 176.300 0.276 0.000 1.061 149 R CA -0.065 56.126 56.100 0.152 0.000 1.081 149 R CB 0.925 31.285 30.300 0.101 0.000 0.984 149 R HN 0.716 nan 8.270 nan 0.000 0.448 150 V N -0.125 119.977 119.914 0.314 0.000 3.229 150 V HA 0.886 5.005 4.120 -0.001 0.000 0.310 150 V C 0.728 177.164 176.094 0.570 0.000 1.206 150 V CA -0.105 62.510 62.300 0.526 0.000 1.051 150 V CB 0.979 33.018 31.823 0.360 0.000 1.183 150 V HN 0.966 nan 8.190 nan 0.000 0.466 151 G N 0.028 109.198 108.800 0.617 0.000 2.575 151 G HA2 0.014 3.973 3.960 -0.001 0.000 0.267 151 G HA3 0.014 3.973 3.960 -0.001 0.000 0.267 151 G C 1.007 176.075 174.900 0.279 0.000 1.264 151 G CA 1.089 46.491 45.100 0.502 0.000 0.935 151 G HN 2.214 nan 8.290 nan 0.000 0.568 152 A N -1.324 121.345 122.820 -0.252 0.000 1.933 152 A HA 0.235 4.555 4.320 -0.001 0.000 0.218 152 A C 2.241 179.651 177.584 -0.290 0.000 1.175 152 A CA 2.499 54.036 52.037 -0.833 0.000 0.628 152 A CB -0.521 17.749 19.000 -1.217 0.000 0.814 152 A HN 0.981 nan 8.150 nan 0.000 0.444 153 F N 0.161 120.147 119.950 0.060 0.000 2.192 153 F HA -0.075 4.452 4.527 -0.001 0.000 0.301 153 F C 2.392 178.183 175.800 -0.014 0.000 1.079 153 F CA 1.194 59.193 58.000 -0.001 0.000 1.303 153 F CB -0.630 38.334 39.000 -0.060 0.000 1.024 153 F HN 0.294 nan 8.300 nan 0.000 0.494 154 G N -2.675 106.199 108.800 0.123 0.000 3.044 154 G HA2 0.123 4.083 3.960 -0.001 0.000 0.223 154 G HA3 0.123 4.083 3.960 -0.001 0.000 0.223 154 G C 0.637 175.028 174.900 -0.849 0.000 1.123 154 G CA 0.075 44.992 45.100 -0.305 0.000 0.765 154 G HN 0.344 nan 8.290 nan 0.000 0.546 155 F N -0.710 119.317 119.950 0.128 0.000 2.960 155 F HA 0.391 4.917 4.527 -0.001 0.000 0.345 155 F C 0.282 176.133 175.800 0.084 0.000 1.147 155 F CA -1.020 57.042 58.000 0.104 0.000 1.099 155 F CB 0.326 39.415 39.000 0.148 0.000 1.219 155 F HN -0.081 nan 8.300 nan 0.000 0.525 156 L N 2.390 123.604 121.223 -0.016 0.000 2.559 156 L HA 0.454 4.794 4.340 -0.001 0.000 0.274 156 L C 0.159 176.998 176.870 -0.051 0.000 1.205 156 L CA 0.306 55.034 54.840 -0.186 0.000 0.907 156 L CB 0.318 41.986 42.059 -0.652 0.000 1.153 156 L HN 0.169 nan 8.230 nan 0.000 0.490 157 A N 6.968 129.816 122.820 0.046 0.000 2.340 157 A HA 0.625 4.944 4.320 -0.001 0.000 0.297 157 A C -0.803 176.799 177.584 0.029 0.000 1.195 157 A CA -0.490 51.574 52.037 0.045 0.000 0.769 157 A CB 0.616 19.672 19.000 0.093 0.000 1.163 157 A HN 0.713 nan 8.150 nan 0.000 0.472 158 L N 3.613 124.842 121.223 0.009 0.000 2.506 158 L HA 0.235 4.575 4.340 -0.001 0.000 0.247 158 L C 0.100 177.008 176.870 0.064 0.000 1.141 158 L CA -0.808 54.042 54.840 0.016 0.000 0.973 158 L CB 0.246 42.281 42.059 -0.039 0.000 1.319 158 L HN 0.894 nan 8.230 nan 0.000 0.455 159 H N 1.748 120.818 119.070 -0.000 0.000 3.173 159 H HA 0.169 4.725 4.556 -0.001 0.000 0.311 159 H C 1.190 176.523 175.328 0.008 0.000 0.972 159 H CA 1.621 57.676 56.048 0.011 0.000 1.384 159 H CB 0.726 30.498 29.762 0.017 0.000 1.349 159 H HN 0.695 nan 8.280 nan 0.000 0.582 160 G N 2.618 111.131 108.800 -0.479 0.000 2.313 160 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.215 160 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.215 160 G C 0.467 175.277 174.900 -0.151 0.000 1.023 160 G CA 0.271 45.169 45.100 -0.336 0.000 0.626 160 G HN 0.963 nan 8.290 nan 0.000 0.503 161 S N 0.160 115.808 115.700 -0.087 0.000 2.586 161 S HA 0.595 5.064 4.470 -0.001 0.000 0.274 161 S C 1.036 175.620 174.600 -0.027 0.000 1.281 161 S CA 0.223 58.398 58.200 -0.042 0.000 1.035 161 S CB 1.517 64.703 63.200 -0.024 0.000 0.962 161 S HN 0.213 nan 8.310 nan 0.000 0.512 162 Q N 1.486 121.281 119.800 -0.009 0.000 2.356 162 Q HA 0.190 4.530 4.340 -0.001 0.000 0.205 162 Q C 1.040 177.057 176.000 0.028 0.000 0.901 162 Q CA 0.233 56.040 55.803 0.007 0.000 0.938 162 Q CB 0.208 28.950 28.738 0.007 0.000 1.081 162 Q HN 0.700 nan 8.270 nan 0.000 0.517 163 E N 0.527 120.745 120.200 0.031 0.000 2.170 163 E HA 0.067 4.416 4.350 -0.001 0.000 0.191 163 E C 0.137 176.789 176.600 0.086 0.000 0.981 163 E CA 0.513 56.949 56.400 0.059 0.000 0.830 163 E CB 0.506 30.243 29.700 0.061 0.000 0.775 163 E HN 0.127 nan 8.360 nan 0.000 0.470 164 A N 1.361 124.206 122.820 0.042 0.000 3.300 164 A HA 0.287 4.607 4.320 -0.001 0.000 0.300 164 A C -2.099 175.490 177.584 0.008 0.000 1.099 164 A CA -0.857 51.193 52.037 0.022 0.000 0.846 164 A CB 0.692 19.611 19.000 -0.136 0.000 1.255 164 A HN -0.114 nan 8.150 nan 0.000 0.519 165 P HA 0.145 nan 4.420 nan 0.000 0.222 165 P C 0.901 178.254 177.300 0.087 0.000 1.153 165 P CA 1.837 64.977 63.100 0.066 0.000 0.798 165 P CB 0.252 31.993 31.700 0.069 0.000 0.796 166 G N 0.305 109.137 108.800 0.054 0.000 2.612 166 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.686 166 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.686 166 G C -0.215 174.697 174.900 0.020 0.000 1.274 166 G CA -0.301 44.837 45.100 0.063 0.000 0.849 166 G HN 0.092 nan 8.290 nan 0.000 0.595 167 N N -2.333 116.377 118.700 0.017 0.000 2.732 167 N HA -0.286 4.454 4.740 -0.001 0.000 0.250 167 N C 1.941 177.325 175.510 -0.209 0.000 1.097 167 N CA 2.509 55.502 53.050 -0.094 0.000 0.812 167 N CB -1.690 36.674 38.487 -0.205 0.000 1.148 167 N HN 1.896 nan 8.380 nan 0.000 0.572 168 V N -2.970 116.805 119.914 -0.230 0.000 2.594 168 V HA 0.002 4.121 4.120 -0.001 0.000 0.253 168 V C 2.310 178.282 176.094 -0.203 0.000 1.069 168 V CA 2.219 64.425 62.300 -0.157 0.000 1.082 168 V CB -0.909 30.869 31.823 -0.076 0.000 0.680 168 V HN 0.284 nan 8.190 nan 0.000 0.469 169 G N 0.299 108.780 108.800 -0.531 0.000 2.422 169 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.218 169 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.218 169 G C 1.540 176.443 174.900 0.005 0.000 1.140 169 G CA 1.048 45.979 45.100 -0.282 0.000 0.775 169 G HN 0.528 nan 8.290 nan 0.000 0.545 170 L N -0.169 121.014 121.223 -0.066 0.000 2.109 170 L HA 0.096 4.436 4.340 -0.001 0.000 0.207 170 L C 2.816 179.756 176.870 0.116 0.000 1.086 170 L CA 0.363 55.158 54.840 -0.076 0.000 0.760 170 L CB -0.274 41.448 42.059 -0.562 0.000 0.910 170 L HN 0.178 nan 8.230 nan 0.000 0.437 171 L N -0.502 120.779 121.223 0.096 0.000 2.131 171 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 171 L C 2.161 179.133 176.870 0.169 0.000 1.092 171 L CA 0.890 55.842 54.840 0.186 0.000 0.759 171 L CB -0.658 41.483 42.059 0.137 0.000 0.903 171 L HN 0.290 nan 8.230 nan 0.000 0.435 172 D N 0.047 120.543 120.400 0.159 0.000 2.104 172 D HA -0.209 4.431 4.640 -0.001 0.000 0.194 172 D C 2.286 178.707 176.300 0.203 0.000 0.994 172 D CA 1.252 55.408 54.000 0.259 0.000 0.830 172 D CB -0.207 40.775 40.800 0.302 0.000 0.959 172 D HN 0.426 nan 8.370 nan 0.000 0.452 173 Q N 0.005 119.873 119.800 0.114 0.000 2.119 173 Q HA -0.077 4.263 4.340 -0.001 0.000 0.201 173 Q C 2.243 178.191 176.000 -0.086 0.000 0.972 173 Q CA 0.763 56.547 55.803 -0.032 0.000 0.847 173 Q CB -0.006 28.707 28.738 -0.042 0.000 0.903 173 Q HN 0.201 nan 8.270 nan 0.000 0.433 174 R N 0.710 121.245 120.500 0.058 0.000 2.092 174 R HA -0.094 4.246 4.340 -0.001 0.000 0.231 174 R C 2.166 178.475 176.300 0.014 0.000 1.119 174 R CA 1.196 57.307 56.100 0.019 0.000 0.970 174 R CB -0.112 30.288 30.300 0.167 0.000 0.864 174 R HN 0.274 nan 8.270 nan 0.000 0.440 175 M N 0.071 119.718 119.600 0.078 0.000 2.117 175 M HA -0.116 4.364 4.480 -0.001 0.000 0.262 175 M C 2.134 178.461 176.300 0.045 0.000 1.065 175 M CA 1.964 57.347 55.300 0.138 0.000 1.114 175 M CB -0.050 32.719 32.600 0.282 0.000 1.361 175 M HN 0.312 nan 8.290 nan 0.000 0.408 176 A N 0.401 123.018 122.820 -0.337 0.000 1.902 176 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 176 A C 1.975 179.450 177.584 -0.183 0.000 1.181 176 A CA 1.406 53.005 52.037 -0.731 0.000 0.623 176 A CB -1.017 17.193 19.000 -1.318 0.000 0.818 176 A HN 0.578 nan 8.150 nan 0.000 0.443 177 L N -0.979 120.161 121.223 -0.139 0.000 2.083 177 L HA -0.238 4.102 4.340 -0.001 0.000 0.209 177 L C 2.839 179.753 176.870 0.073 0.000 1.083 177 L CA 1.726 56.546 54.840 -0.033 0.000 0.752 177 L CB -0.507 41.496 42.059 -0.093 0.000 0.899 177 L HN 0.509 nan 8.230 nan 0.000 0.433 178 Q N -0.237 119.610 119.800 0.077 0.000 2.046 178 Q HA -0.252 4.087 4.340 -0.001 0.000 0.200 178 Q C 2.031 178.153 176.000 0.204 0.000 0.975 178 Q CA 1.878 57.748 55.803 0.111 0.000 0.836 178 Q CB -0.524 28.271 28.738 0.094 0.000 0.896 178 Q HN 0.458 nan 8.270 nan 0.000 0.428 179 W N -0.560 120.772 121.300 0.053 0.000 2.342 179 W HA -0.177 4.483 4.660 -0.001 0.000 0.297 179 W C 1.830 178.399 176.519 0.083 0.000 1.213 179 W CA 1.729 59.126 57.345 0.087 0.000 1.251 179 W CB -0.115 29.405 29.460 0.100 0.000 1.136 179 W HN 0.038 nan 8.180 nan 0.000 0.526 180 V N -0.276 119.853 119.914 0.357 0.000 2.358 180 V HA -0.355 3.765 4.120 -0.001 0.000 0.246 180 V C 2.168 178.312 176.094 0.083 0.000 1.047 180 V CA 2.418 64.856 62.300 0.230 0.000 1.035 180 V CB -1.329 30.606 31.823 0.187 0.000 0.658 180 V HN 0.336 nan 8.190 nan 0.000 0.452 181 H N 0.602 119.678 119.070 0.010 0.000 2.319 181 H HA -0.195 4.361 4.556 -0.001 0.000 0.299 181 H C 1.961 177.228 175.328 -0.102 0.000 1.092 181 H CA 2.298 58.327 56.048 -0.033 0.000 1.302 181 H CB -0.085 29.669 29.762 -0.014 0.000 1.373 181 H HN 0.399 nan 8.280 nan 0.000 0.497 182 D N -0.708 119.654 120.400 -0.063 0.000 2.194 182 D HA -0.062 4.578 4.640 -0.001 0.000 0.204 182 D C 1.006 177.111 176.300 -0.325 0.000 0.964 182 D CA 0.878 54.767 54.000 -0.186 0.000 0.846 182 D CB 0.044 40.774 40.800 -0.117 0.000 0.962 182 D HN 0.529 nan 8.370 nan 0.000 0.490 183 N N -0.286 118.158 118.700 -0.428 0.000 2.145 183 N HA 0.033 4.773 4.740 -0.001 0.000 0.219 183 N C 1.310 176.734 175.510 -0.143 0.000 1.266 183 N CA -0.143 52.680 53.050 -0.378 0.000 0.902 183 N CB 1.099 39.074 38.487 -0.853 0.000 1.078 183 N HN 0.026 nan 8.380 nan 0.000 0.513 184 I N 2.900 123.418 120.570 -0.086 0.000 2.850 184 I HA -0.210 3.959 4.170 -0.001 0.000 0.266 184 I C 2.549 178.678 176.117 0.021 0.000 1.257 184 I CA 1.142 62.509 61.300 0.112 0.000 1.465 184 I CB -0.139 37.901 38.000 0.067 0.000 1.091 184 I HN 0.187 nan 8.210 nan 0.000 0.467 185 Q N -0.598 119.025 119.800 -0.295 0.000 2.167 185 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 185 Q C 1.835 177.614 176.000 -0.369 0.000 0.970 185 Q CA 1.550 57.121 55.803 -0.386 0.000 0.855 185 Q CB -0.809 27.572 28.738 -0.594 0.000 0.911 185 Q HN 0.406 nan 8.270 nan 0.000 0.438 186 F N 0.155 120.037 119.950 -0.114 0.000 2.451 186 F HA 0.052 4.578 4.527 -0.001 0.000 0.299 186 F C 1.024 176.592 175.800 -0.387 0.000 1.101 186 F CA 0.435 58.263 58.000 -0.287 0.000 1.436 186 F CB -0.214 38.525 39.000 -0.437 0.000 1.074 186 F HN 0.007 nan 8.300 nan 0.000 0.553 187 F N -0.544 119.412 119.950 0.009 0.000 2.693 187 F HA 0.421 4.948 4.527 -0.001 0.000 0.303 187 F C 1.791 177.610 175.800 0.032 0.000 1.097 187 F CA 0.280 58.270 58.000 -0.017 0.000 1.330 187 F CB -0.171 38.790 39.000 -0.066 0.000 1.067 187 F HN 0.041 nan 8.300 nan 0.000 0.565 188 G N 0.168 109.047 108.800 0.132 0.000 2.157 188 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.239 188 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.239 188 G C 0.604 175.553 174.900 0.080 0.000 0.982 188 G CA -0.268 44.889 45.100 0.094 0.000 0.650 188 G HN 0.733 nan 8.290 nan 0.000 0.527 189 G N -0.487 108.366 108.800 0.088 0.000 2.448 189 G HA2 0.487 4.446 3.960 -0.001 0.000 0.285 189 G HA3 0.487 4.446 3.960 -0.001 0.000 0.285 189 G C -0.670 174.225 174.900 -0.009 0.000 1.176 189 G CA 0.259 45.394 45.100 0.059 0.000 0.852 189 G HN 0.241 nan 8.290 nan 0.000 0.530 190 D N 1.575 121.970 120.400 -0.009 0.000 2.411 190 D HA 0.234 4.874 4.640 -0.001 0.000 0.225 190 D C -1.011 175.262 176.300 -0.045 0.000 1.156 190 D CA -2.375 51.601 54.000 -0.040 0.000 0.874 190 D CB 1.659 42.443 40.800 -0.026 0.000 1.034 190 D HN 0.071 nan 8.370 nan 0.000 0.502 191 P HA -0.138 nan 4.420 nan 0.000 0.231 191 P C 0.570 177.847 177.300 -0.039 0.000 1.158 191 P CA 0.768 63.814 63.100 -0.090 0.000 0.763 191 P CB -0.043 31.514 31.700 -0.238 0.000 0.805 192 K N -1.068 119.305 120.400 -0.044 0.000 2.417 192 K HA 0.165 4.484 4.320 -0.001 0.000 0.196 192 K C -0.046 176.547 176.600 -0.012 0.000 1.023 192 K CA 0.128 56.403 56.287 -0.020 0.000 1.122 192 K CB -0.251 32.227 32.500 -0.036 0.000 0.850 192 K HN -0.198 nan 8.250 nan 0.000 0.521 193 T N 1.530 116.081 114.554 -0.005 0.000 3.741 193 T HA 0.129 4.478 4.350 -0.001 0.000 0.242 193 T C -0.954 173.758 174.700 0.019 0.000 1.042 193 T CA -0.598 61.497 62.100 -0.009 0.000 1.278 193 T CB 0.830 69.681 68.868 -0.029 0.000 0.994 193 T HN 0.209 nan 8.240 nan 0.000 0.594 194 V N 0.540 120.493 119.914 0.064 0.000 2.427 194 V HA 0.735 4.854 4.120 -0.001 0.000 0.286 194 V C -0.354 175.828 176.094 0.147 0.000 1.034 194 V CA -0.055 62.308 62.300 0.105 0.000 0.893 194 V CB 1.559 33.464 31.823 0.136 0.000 0.982 194 V HN 0.355 nan 8.190 nan 0.000 0.452 195 T N 8.526 123.150 114.554 0.115 0.000 2.767 195 T HA 0.548 4.898 4.350 -0.001 0.000 0.284 195 T C 0.017 174.817 174.700 0.167 0.000 0.973 195 T CA -0.152 62.028 62.100 0.133 0.000 0.996 195 T CB 0.718 69.617 68.868 0.053 0.000 0.927 195 T HN 0.879 nan 8.240 nan 0.000 0.456 196 I N 1.860 122.493 120.570 0.105 0.000 2.385 196 I HA 0.843 5.012 4.170 -0.001 0.000 0.294 196 I C -0.841 175.418 176.117 0.237 0.000 0.988 196 I CA -0.951 60.395 61.300 0.077 0.000 1.265 196 I CB 0.893 38.733 38.000 -0.267 0.000 1.388 196 I HN 0.482 nan 8.210 nan 0.000 0.480 197 F N 3.171 123.139 119.950 0.030 0.000 2.601 197 F HA 1.005 5.532 4.527 -0.001 0.000 0.309 197 F C -0.455 175.329 175.800 -0.026 0.000 1.089 197 F CA -1.307 56.749 58.000 0.095 0.000 0.940 197 F CB 1.372 40.540 39.000 0.281 0.000 1.273 197 F HN 0.837 nan 8.300 nan 0.000 0.450 198 G N 1.077 109.776 108.800 -0.168 0.000 2.601 198 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 198 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 198 G C -2.544 172.170 174.900 -0.310 0.000 1.456 198 G CA -0.810 43.813 45.100 -0.795 0.000 0.804 198 G HN 0.869 nan 8.290 nan 0.000 0.499 199 E N 0.429 120.421 120.200 -0.346 0.000 2.212 199 E HA 0.629 4.979 4.350 -0.001 0.000 0.268 199 E C 0.698 177.261 176.600 -0.061 0.000 0.902 199 E CA 0.347 56.749 56.400 0.003 0.000 0.779 199 E CB 2.069 31.908 29.700 0.231 0.000 1.172 199 E HN 0.893 nan 8.360 nan 0.000 0.409 200 S N 2.825 118.548 115.700 0.039 0.000 4.059 200 S HA -0.394 4.076 4.470 -0.001 0.000 0.624 200 S C 1.471 176.137 174.600 0.109 0.000 2.019 200 S CA 2.007 60.288 58.200 0.135 0.000 4.197 200 S CB -1.593 61.638 63.200 0.052 0.000 0.215 200 S HN 0.981 nan 8.310 nan 0.000 0.609 201 A N 0.924 123.700 122.820 -0.073 0.000 2.032 201 A HA 0.067 4.387 4.320 -0.001 0.000 0.221 201 A C 2.492 179.845 177.584 -0.386 0.000 1.165 201 A CA 2.646 54.452 52.037 -0.385 0.000 0.645 201 A CB -1.628 16.667 19.000 -1.174 0.000 0.807 201 A HN 1.655 nan 8.150 nan 0.000 0.453 202 G N -0.824 107.793 108.800 -0.305 0.000 2.408 202 G HA2 0.084 4.044 3.960 -0.001 0.000 0.217 202 G HA3 0.084 4.044 3.960 -0.001 0.000 0.217 202 G C 1.468 176.196 174.900 -0.287 0.000 1.150 202 G CA 1.129 46.005 45.100 -0.374 0.000 0.776 202 G HN 0.685 nan 8.290 nan 0.000 0.542 203 G N 0.934 109.629 108.800 -0.174 0.000 2.403 203 G HA2 0.120 4.079 3.960 -0.001 0.000 0.216 203 G HA3 0.120 4.079 3.960 -0.001 0.000 0.216 203 G C 1.990 176.804 174.900 -0.142 0.000 1.154 203 G CA 1.384 46.414 45.100 -0.116 0.000 0.784 203 G HN 0.587 nan 8.290 nan 0.000 0.538 204 A N 0.850 123.611 122.820 -0.099 0.000 1.898 204 A HA 0.054 4.374 4.320 -0.001 0.000 0.216 204 A C 2.690 180.219 177.584 -0.092 0.000 1.181 204 A CA 2.121 54.078 52.037 -0.132 0.000 0.620 204 A CB -0.602 18.348 19.000 -0.083 0.000 0.819 204 A HN 0.286 nan 8.150 nan 0.000 0.442 205 S N -0.326 115.343 115.700 -0.053 0.000 2.359 205 S HA -0.165 4.304 4.470 -0.001 0.000 0.224 205 S C 1.923 176.454 174.600 -0.115 0.000 1.035 205 S CA 1.490 59.636 58.200 -0.091 0.000 1.018 205 S CB -0.605 62.498 63.200 -0.162 0.000 0.876 205 S HN 0.339 nan 8.310 nan 0.000 0.448 206 V N 1.613 121.461 119.914 -0.110 0.000 2.282 206 V HA -0.240 3.879 4.120 -0.001 0.000 0.249 206 V C 2.595 178.633 176.094 -0.095 0.000 1.057 206 V CA 2.144 64.381 62.300 -0.105 0.000 1.032 206 V CB -1.466 30.271 31.823 -0.143 0.000 0.645 206 V HN 0.622 nan 8.190 nan 0.000 0.447 207 G N -1.383 107.312 108.800 -0.176 0.000 2.432 207 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.219 207 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.219 207 G C 1.584 176.468 174.900 -0.026 0.000 1.135 207 G CA 0.933 45.900 45.100 -0.222 0.000 0.767 207 G HN 0.464 nan 8.290 nan 0.000 0.550 208 M N -0.153 119.446 119.600 -0.002 0.000 2.229 208 M HA 0.020 4.499 4.480 -0.001 0.000 0.264 208 M C 2.162 178.574 176.300 0.186 0.000 1.063 208 M CA 0.864 56.284 55.300 0.199 0.000 1.114 208 M CB -0.158 32.560 32.600 0.197 0.000 1.387 208 M HN 0.197 nan 8.290 nan 0.000 0.420 209 H N -0.564 118.623 119.070 0.194 0.000 2.512 209 H HA 0.109 4.665 4.556 -0.001 0.000 0.279 209 H C 2.063 177.596 175.328 0.343 0.000 0.999 209 H CA 1.062 57.229 56.048 0.198 0.000 1.283 209 H CB 0.052 29.840 29.762 0.044 0.000 1.421 209 H HN 0.410 nan 8.280 nan 0.000 0.554 210 I N 0.405 121.246 120.570 0.452 0.000 2.439 210 I HA -0.206 3.964 4.170 -0.001 0.000 0.251 210 I C 2.068 178.425 176.117 0.400 0.000 1.139 210 I CA 0.713 62.333 61.300 0.534 0.000 1.438 210 I CB 0.053 38.306 38.000 0.423 0.000 1.085 210 I HN 0.112 nan 8.210 nan 0.000 0.427 211 L N -0.565 120.859 121.223 0.335 0.000 2.049 211 L HA -0.043 4.297 4.340 -0.001 0.000 0.203 211 L C 1.535 178.523 176.870 0.197 0.000 1.074 211 L CA 0.396 55.434 54.840 0.330 0.000 0.749 211 L CB -0.314 41.972 42.059 0.378 0.000 0.907 211 L HN 0.027 nan 8.230 nan 0.000 0.439 212 S N 0.282 116.014 115.700 0.054 0.000 2.509 212 S HA 0.048 4.518 4.470 -0.001 0.000 0.287 212 S C -1.469 173.016 174.600 -0.192 0.000 1.248 212 S CA -1.258 56.779 58.200 -0.273 0.000 1.089 212 S CB 0.707 63.332 63.200 -0.959 0.000 0.900 212 S HN -0.058 nan 8.310 nan 0.000 0.496 213 P HA -0.088 nan 4.420 nan 0.000 0.216 213 P C 1.461 178.674 177.300 -0.145 0.000 1.154 213 P CA 1.254 64.287 63.100 -0.111 0.000 0.865 213 P CB -0.120 31.520 31.700 -0.099 0.000 0.789 214 G N -1.556 107.106 108.800 -0.230 0.000 2.559 214 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.216 214 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.216 214 G C 1.414 176.221 174.900 -0.155 0.000 1.126 214 G CA 0.655 45.633 45.100 -0.203 0.000 0.778 214 G HN 0.246 nan 8.290 nan 0.000 0.543 215 S N -0.237 115.386 115.700 -0.127 0.000 2.506 215 S HA 0.066 4.535 4.470 -0.001 0.000 0.219 215 S C 2.293 176.965 174.600 0.119 0.000 1.031 215 S CA -0.346 57.885 58.200 0.050 0.000 0.911 215 S CB 0.175 63.539 63.200 0.272 0.000 0.812 215 S HN 0.467 nan 8.310 nan 0.000 0.497 216 R N 1.964 122.486 120.500 0.037 0.000 2.139 216 R HA -0.099 4.241 4.340 -0.001 0.000 0.243 216 R C 0.376 176.499 176.300 -0.296 0.000 1.145 216 R CA 1.459 57.497 56.100 -0.104 0.000 0.976 216 R CB -0.812 29.443 30.300 -0.075 0.000 0.866 216 R HN 0.297 nan 8.270 nan 0.000 0.449 217 D N 1.119 121.408 120.400 -0.185 0.000 2.347 217 D HA 0.019 4.659 4.640 -0.001 0.000 0.215 217 D C 1.637 177.818 176.300 -0.198 0.000 0.976 217 D CA 0.573 54.453 54.000 -0.201 0.000 0.884 217 D CB 0.011 40.716 40.800 -0.158 0.000 0.915 217 D HN 0.253 nan 8.370 nan 0.000 0.526 218 L N -0.043 121.102 121.223 -0.130 0.000 2.627 218 L HA 0.156 4.495 4.340 -0.001 0.000 0.233 218 L C -0.022 176.947 176.870 0.165 0.000 1.144 218 L CA -0.045 54.783 54.840 -0.020 0.000 0.892 218 L CB -0.506 41.566 42.059 0.021 0.000 1.039 218 L HN -0.053 nan 8.230 nan 0.000 0.442 219 F N -3.937 116.014 119.950 0.001 0.000 2.741 219 F HA 0.552 5.078 4.527 -0.001 0.000 0.313 219 F C 0.423 176.241 175.800 0.030 0.000 1.153 219 F CA -1.354 56.660 58.000 0.023 0.000 0.931 219 F CB 1.208 40.218 39.000 0.017 0.000 1.335 219 F HN -0.369 nan 8.300 nan 0.000 0.460 220 R N 0.543 121.131 120.500 0.147 0.000 2.142 220 R HA 0.506 4.846 4.340 -0.001 0.000 0.204 220 R C -0.179 176.180 176.300 0.099 0.000 1.059 220 R CA 0.734 56.845 56.100 0.019 0.000 1.055 220 R CB 0.424 30.733 30.300 0.014 0.000 0.976 220 R HN 0.764 nan 8.270 nan 0.000 0.483 221 R N -1.188 119.474 120.500 0.271 0.000 2.799 221 R HA 0.727 5.066 4.340 -0.001 0.000 0.270 221 R C -1.640 174.886 176.300 0.378 0.000 1.010 221 R CA -0.656 55.596 56.100 0.254 0.000 0.916 221 R CB 2.248 32.525 30.300 -0.037 0.000 1.228 221 R HN 0.171 nan 8.270 nan 0.000 0.469 222 A N 1.492 124.532 122.820 0.366 0.000 2.475 222 A HA 0.765 5.085 4.320 -0.001 0.000 0.301 222 A C -1.168 176.518 177.584 0.169 0.000 1.059 222 A CA -0.637 51.536 52.037 0.227 0.000 0.710 222 A CB 1.358 20.450 19.000 0.153 0.000 1.288 222 A HN 0.569 nan 8.150 nan 0.000 0.408 223 I N 1.628 122.248 120.570 0.082 0.000 2.478 223 I HA 0.355 4.524 4.170 -0.001 0.000 0.287 223 I C -1.541 174.600 176.117 0.040 0.000 1.042 223 I CA -0.529 60.745 61.300 -0.044 0.000 1.067 223 I CB 1.907 39.846 38.000 -0.100 0.000 1.233 223 I HN 0.424 nan 8.210 nan 0.000 0.431 224 L N 6.658 127.874 121.223 -0.012 0.000 2.325 224 L HA 0.451 4.791 4.340 -0.001 0.000 0.281 224 L C -0.441 176.485 176.870 0.095 0.000 1.004 224 L CA -0.233 54.609 54.840 0.004 0.000 0.823 224 L CB 1.590 43.589 42.059 -0.100 0.000 1.236 224 L HN 0.482 nan 8.230 nan 0.000 0.415 225 Q N 1.960 121.872 119.800 0.187 0.000 2.368 225 Q HA 0.469 4.808 4.340 -0.001 0.000 0.263 225 Q C -0.097 176.015 176.000 0.187 0.000 1.009 225 Q CA -0.547 55.436 55.803 0.300 0.000 0.818 225 Q CB 1.500 30.517 28.738 0.465 0.000 1.239 225 Q HN 0.659 nan 8.270 nan 0.000 0.464 226 S N 1.065 116.860 115.700 0.160 0.000 3.706 226 S HA -0.153 4.316 4.470 -0.001 0.000 0.363 226 S C -0.029 174.698 174.600 0.211 0.000 0.999 226 S CA 0.560 58.872 58.200 0.187 0.000 1.143 226 S CB -1.138 62.205 63.200 0.238 0.000 0.902 226 S HN 0.989 nan 8.310 nan 0.000 0.476 227 G N -0.298 108.568 108.800 0.112 0.000 2.596 227 G HA2 0.610 4.569 3.960 -0.001 0.000 0.296 227 G HA3 0.610 4.569 3.960 -0.001 0.000 0.296 227 G C -0.990 173.850 174.900 -0.100 0.000 1.513 227 G CA 0.152 45.319 45.100 0.111 0.000 0.851 227 G HN 1.184 nan 8.290 nan 0.000 0.548 228 S N 1.122 116.690 115.700 -0.220 0.000 2.570 228 S HA 0.794 5.264 4.470 -0.001 0.000 0.270 228 S C -2.094 172.224 174.600 -0.471 0.000 1.149 228 S CA -1.033 56.894 58.200 -0.455 0.000 0.837 228 S CB 2.967 65.901 63.200 -0.443 0.000 1.124 228 S HN 0.432 nan 8.310 nan 0.000 0.465 229 P HA -0.142 nan 4.420 nan 0.000 0.218 229 P C 0.626 177.694 177.300 -0.386 0.000 1.148 229 P CA 1.441 64.306 63.100 -0.392 0.000 0.822 229 P CB -0.339 31.179 31.700 -0.304 0.000 0.784 230 N N -0.888 117.617 118.700 -0.325 0.000 2.370 230 N HA -0.019 4.721 4.740 -0.001 0.000 0.198 230 N C 0.038 175.315 175.510 -0.387 0.000 1.156 230 N CA -0.185 52.700 53.050 -0.274 0.000 0.839 230 N CB -1.407 37.034 38.487 -0.076 0.000 0.989 230 N HN 0.046 nan 8.380 nan 0.000 0.468 231 C N 2.953 121.910 119.300 -0.572 0.000 2.657 231 C HA 0.081 4.541 4.460 -0.001 0.000 0.420 231 C C -0.103 174.400 174.990 -0.811 0.000 1.323 231 C CA -0.937 57.612 59.018 -0.783 0.000 1.894 231 C CB 1.076 28.041 27.740 -1.290 0.000 2.681 231 C HN 0.355 nan 8.230 nan 0.000 0.613 232 P HA -0.137 nan 4.420 nan 0.000 0.218 232 P C 1.227 178.331 177.300 -0.325 0.000 1.146 232 P CA 1.972 64.807 63.100 -0.443 0.000 0.813 232 P CB -0.107 31.349 31.700 -0.406 0.000 0.778 233 W N -1.193 119.995 121.300 -0.186 0.000 3.197 233 W HA 0.544 5.204 4.660 -0.000 0.000 0.274 233 W C 1.272 177.853 176.519 0.102 0.000 1.297 233 W CA 0.369 57.689 57.345 -0.041 0.000 1.662 233 W CB -1.151 28.346 29.460 0.062 0.000 1.106 233 W HN -0.108 nan 8.180 nan 0.000 0.663 234 A N 1.362 123.854 122.820 -0.546 0.000 2.169 234 A HA 0.170 4.490 4.320 -0.001 0.000 0.212 234 A C 1.022 178.414 177.584 -0.320 0.000 1.153 234 A CA 1.094 52.923 52.037 -0.347 0.000 0.756 234 A CB -0.540 18.014 19.000 -0.745 0.000 0.813 234 A HN 0.214 nan 8.150 nan 0.000 0.471 235 S N -1.663 113.850 115.700 -0.312 0.000 2.596 235 S HA 0.672 5.141 4.470 -0.001 0.000 0.270 235 S C -0.753 173.714 174.600 -0.222 0.000 1.155 235 S CA -0.072 57.940 58.200 -0.312 0.000 0.827 235 S CB 1.399 64.351 63.200 -0.412 0.000 1.130 235 S HN 1.266 nan 8.310 nan 0.000 0.467 236 V N -0.998 118.806 119.914 -0.184 0.000 3.160 236 V HA 0.944 5.064 4.120 -0.001 0.000 0.310 236 V C 0.189 176.208 176.094 -0.126 0.000 1.181 236 V CA -0.471 61.745 62.300 -0.139 0.000 1.047 236 V CB 1.128 32.883 31.823 -0.113 0.000 1.068 236 V HN 1.455 nan 8.190 nan 0.000 0.441 237 S N 0.555 116.192 115.700 -0.105 0.000 2.634 237 S HA 0.372 4.842 4.470 -0.001 0.000 0.261 237 S C 1.296 175.847 174.600 -0.083 0.000 1.271 237 S CA 0.029 58.172 58.200 -0.096 0.000 0.985 237 S CB 1.217 64.370 63.200 -0.078 0.000 0.968 237 S HN 2.082 nan 8.310 nan 0.000 0.568 238 V N -1.442 118.411 119.914 -0.100 0.000 2.515 238 V HA 0.017 4.136 4.120 -0.001 0.000 0.250 238 V C 2.577 178.651 176.094 -0.033 0.000 1.058 238 V CA 1.630 63.877 62.300 -0.088 0.000 1.064 238 V CB -2.066 29.633 31.823 -0.206 0.000 0.675 238 V HN 0.991 nan 8.190 nan 0.000 0.461 239 A N 0.670 123.468 122.820 -0.038 0.000 1.902 239 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 239 A C 2.220 179.782 177.584 -0.037 0.000 1.181 239 A CA 2.037 54.059 52.037 -0.024 0.000 0.623 239 A CB -0.636 18.349 19.000 -0.025 0.000 0.818 239 A HN 0.626 nan 8.150 nan 0.000 0.443 240 E N 0.071 120.239 120.200 -0.054 0.000 2.072 240 E HA -0.014 4.336 4.350 -0.001 0.000 0.191 240 E C 1.993 178.549 176.600 -0.074 0.000 0.985 240 E CA 1.481 57.835 56.400 -0.077 0.000 0.801 240 E CB -0.858 28.787 29.700 -0.091 0.000 0.750 240 E HN 0.379 nan 8.360 nan 0.000 0.452 241 G N 0.916 109.686 108.800 -0.050 0.000 2.476 241 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.218 241 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.218 241 G C 1.759 176.666 174.900 0.011 0.000 1.164 241 G CA 1.052 46.145 45.100 -0.012 0.000 0.768 241 G HN 0.344 nan 8.290 nan 0.000 0.560 242 R N 0.233 120.736 120.500 0.005 0.000 2.062 242 R HA 0.014 4.353 4.340 -0.001 0.000 0.231 242 R C 2.578 178.872 176.300 -0.009 0.000 1.136 242 R CA 1.291 57.396 56.100 0.008 0.000 0.948 242 R CB -0.438 29.871 30.300 0.016 0.000 0.845 242 R HN 0.278 nan 8.270 nan 0.000 0.430 243 R N 0.676 121.160 120.500 -0.028 0.000 2.117 243 R HA -0.166 4.174 4.340 -0.001 0.000 0.243 243 R C 2.099 178.368 176.300 -0.052 0.000 1.143 243 R CA 1.951 58.025 56.100 -0.044 0.000 0.968 243 R CB -0.125 30.136 30.300 -0.064 0.000 0.863 243 R HN 0.313 nan 8.270 nan 0.000 0.444 244 R N -0.456 120.003 120.500 -0.068 0.000 2.115 244 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 244 R C 2.335 178.663 176.300 0.046 0.000 1.100 244 R CA 1.042 57.086 56.100 -0.095 0.000 0.980 244 R CB -0.206 29.930 30.300 -0.273 0.000 0.875 244 R HN 0.233 nan 8.270 nan 0.000 0.445 245 A N 0.744 123.624 122.820 0.100 0.000 1.877 245 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 245 A C 2.311 179.907 177.584 0.019 0.000 1.186 245 A CA 1.294 53.388 52.037 0.096 0.000 0.620 245 A CB -0.541 18.460 19.000 0.001 0.000 0.822 245 A HN 0.098 nan 8.150 nan 0.000 0.443 246 V N 0.073 119.987 119.914 0.000 0.000 2.343 246 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 246 V C 2.595 178.689 176.094 -0.001 0.000 1.051 246 V CA 2.418 64.713 62.300 -0.009 0.000 1.036 246 V CB -0.697 31.119 31.823 -0.012 0.000 0.654 246 V HN 0.719 nan 8.190 nan 0.000 0.451 247 E N 0.155 120.353 120.200 -0.002 0.000 2.153 247 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 247 E C 1.887 178.500 176.600 0.022 0.000 0.988 247 E CA 1.169 57.567 56.400 -0.003 0.000 0.811 247 E CB -0.348 29.334 29.700 -0.030 0.000 0.746 247 E HN 0.468 nan 8.360 nan 0.000 0.466 248 L N -0.375 120.882 121.223 0.056 0.000 2.027 248 L HA 0.077 4.416 4.340 -0.001 0.000 0.206 248 L C 2.194 179.084 176.870 0.033 0.000 1.074 248 L CA 2.254 57.143 54.840 0.082 0.000 0.745 248 L CB -1.031 41.115 42.059 0.145 0.000 0.898 248 L HN 0.227 nan 8.230 nan 0.000 0.433 249 G N -0.753 108.053 108.800 0.009 0.000 2.440 249 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.218 249 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.218 249 G C 1.817 176.725 174.900 0.013 0.000 1.154 249 G CA 0.846 45.946 45.100 0.001 0.000 0.767 249 G HN 0.402 nan 8.290 nan 0.000 0.552 250 R N 0.453 120.961 120.500 0.013 0.000 2.120 250 R HA -0.028 4.312 4.340 -0.001 0.000 0.234 250 R C 2.131 178.444 176.300 0.022 0.000 1.123 250 R CA 1.145 57.253 56.100 0.015 0.000 0.975 250 R CB -0.343 29.962 30.300 0.009 0.000 0.866 250 R HN 0.341 nan 8.270 nan 0.000 0.446 251 N N 0.319 119.036 118.700 0.028 0.000 2.396 251 N HA -0.099 4.641 4.740 -0.001 0.000 0.180 251 N C 0.919 176.452 175.510 0.039 0.000 1.028 251 N CA 0.794 53.866 53.050 0.037 0.000 0.893 251 N CB 0.180 38.695 38.487 0.048 0.000 0.967 251 N HN 0.264 nan 8.380 nan 0.000 0.440 252 L N 0.749 121.993 121.223 0.035 0.000 2.818 252 L HA 0.202 4.542 4.340 -0.001 0.000 0.243 252 L C -0.311 176.578 176.870 0.032 0.000 1.185 252 L CA -0.161 54.700 54.840 0.036 0.000 0.988 252 L CB -0.076 42.003 42.059 0.033 0.000 1.292 252 L HN 0.012 nan 8.230 nan 0.000 0.519 253 N N -0.167 118.551 118.700 0.029 0.000 2.696 253 N HA -0.179 4.561 4.740 -0.001 0.000 0.256 253 N C -0.256 175.271 175.510 0.028 0.000 1.031 253 N CA 0.518 53.584 53.050 0.027 0.000 0.730 253 N CB -1.632 36.871 38.487 0.028 0.000 0.894 253 N HN 0.290 nan 8.380 nan 0.000 0.544 254 c N 0.661 119.277 118.600 0.026 0.000 2.362 254 c HA 0.305 4.875 4.570 -0.001 0.000 0.363 254 c C 1.334 175.441 174.090 0.029 0.000 1.220 254 c CA -0.939 55.408 56.329 0.030 0.000 2.379 254 c CB 1.271 43.795 42.510 0.025 0.000 2.351 254 c HN 0.457 nan 8.230 nan 0.000 0.582 255 N N 1.404 120.126 118.700 0.037 0.000 2.452 255 N HA 0.147 4.886 4.740 -0.001 0.000 0.266 255 N C -0.084 175.440 175.510 0.023 0.000 1.175 255 N CA 0.186 53.254 53.050 0.031 0.000 0.945 255 N CB 0.481 38.991 38.487 0.038 0.000 1.063 255 N HN 0.605 nan 8.380 nan 0.000 0.472 256 L N 2.852 124.084 121.223 0.015 0.000 2.769 256 L HA 0.210 4.549 4.340 -0.001 0.000 0.240 256 L C 1.177 178.051 176.870 0.006 0.000 1.163 256 L CA -0.291 54.554 54.840 0.008 0.000 0.962 256 L CB -0.132 41.930 42.059 0.005 0.000 1.258 256 L HN 0.405 nan 8.230 nan 0.000 0.513 257 N N 0.637 119.341 118.700 0.008 0.000 2.453 257 N HA -0.056 4.683 4.740 -0.001 0.000 0.183 257 N C 0.598 176.109 175.510 0.003 0.000 1.041 257 N CA 0.707 53.760 53.050 0.004 0.000 0.900 257 N CB 0.232 38.721 38.487 0.004 0.000 0.961 257 N HN 0.469 nan 8.380 nan 0.000 0.443 258 S N -1.734 113.969 115.700 0.004 0.000 2.565 258 S HA 0.312 4.781 4.470 -0.001 0.000 0.269 258 S C -0.122 174.480 174.600 0.003 0.000 1.153 258 S CA -0.867 57.334 58.200 0.002 0.000 0.835 258 S CB 1.653 64.855 63.200 0.003 0.000 1.122 258 S HN -0.272 nan 8.310 nan 0.000 0.462 259 D N 1.163 121.562 120.400 -0.003 0.000 2.133 259 D HA -0.075 4.565 4.640 -0.001 0.000 0.195 259 D C 1.525 177.829 176.300 0.007 0.000 0.997 259 D CA 1.900 55.895 54.000 -0.008 0.000 0.840 259 D CB -0.169 40.623 40.800 -0.013 0.000 0.947 259 D HN 0.694 nan 8.370 nan 0.000 0.452 260 E N 0.608 120.818 120.200 0.017 0.000 2.077 260 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 260 E C 1.992 178.632 176.600 0.066 0.000 0.989 260 E CA 0.839 57.262 56.400 0.038 0.000 0.800 260 E CB -0.184 29.531 29.700 0.025 0.000 0.746 260 E HN 0.427 nan 8.360 nan 0.000 0.452 261 E N -0.255 119.972 120.200 0.046 0.000 2.152 261 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 261 E C 1.812 178.464 176.600 0.086 0.000 0.983 261 E CA 0.376 56.816 56.400 0.068 0.000 0.818 261 E CB -0.008 29.713 29.700 0.034 0.000 0.758 261 E HN 0.094 nan 8.360 nan 0.000 0.467 262 L N 0.918 122.166 121.223 0.042 0.000 2.023 262 L HA -0.089 4.251 4.340 -0.001 0.000 0.205 262 L C 1.924 178.800 176.870 0.010 0.000 1.073 262 L CA 1.561 56.410 54.840 0.015 0.000 0.745 262 L CB -0.330 41.717 42.059 -0.021 0.000 0.900 262 L HN 0.090 nan 8.230 nan 0.000 0.435 263 I N -0.512 120.064 120.570 0.010 0.000 2.286 263 I HA -0.308 3.862 4.170 -0.001 0.000 0.248 263 I C 2.614 178.790 176.117 0.098 0.000 1.115 263 I CA 1.435 62.749 61.300 0.023 0.000 1.392 263 I CB -0.664 37.356 38.000 0.034 0.000 1.065 263 I HN 0.487 nan 8.210 nan 0.000 0.418 264 H N 0.529 119.630 119.070 0.052 0.000 2.357 264 H HA -0.231 4.325 4.556 -0.001 0.000 0.301 264 H C 2.433 177.797 175.328 0.060 0.000 1.082 264 H CA 2.090 58.172 56.048 0.057 0.000 1.342 264 H CB -0.152 29.632 29.762 0.036 0.000 1.389 264 H HN 0.501 nan 8.280 nan 0.000 0.511 265 c N 0.909 119.519 118.600 0.017 0.000 2.432 265 c HA -0.085 4.485 4.570 -0.001 0.000 0.277 265 c C 3.027 177.099 174.090 -0.029 0.000 1.249 265 c CA 0.835 57.165 56.329 0.001 0.000 1.725 265 c CB -1.396 41.150 42.510 0.059 0.000 2.028 265 c HN 0.574 nan 8.230 nan 0.000 0.477 266 L N 0.352 121.587 121.223 0.021 0.000 2.131 266 L HA -0.088 4.251 4.340 -0.001 0.000 0.210 266 L C 2.972 179.915 176.870 0.121 0.000 1.092 266 L CA 1.488 56.382 54.840 0.090 0.000 0.759 266 L CB -0.632 41.487 42.059 0.101 0.000 0.903 266 L HN 0.359 nan 8.230 nan 0.000 0.435 267 R N -0.527 120.009 120.500 0.061 0.000 2.236 267 R HA -0.073 4.266 4.340 -0.001 0.000 0.208 267 R C 1.797 178.041 176.300 -0.093 0.000 1.036 267 R CA 0.432 56.515 56.100 -0.027 0.000 1.001 267 R CB 0.034 30.303 30.300 -0.051 0.000 0.896 267 R HN 0.259 nan 8.270 nan 0.000 0.464 268 E N 0.757 120.876 120.200 -0.136 0.000 2.299 268 E HA 0.005 4.354 4.350 -0.001 0.000 0.193 268 E C 0.137 176.721 176.600 -0.027 0.000 0.998 268 E CA 0.704 57.043 56.400 -0.100 0.000 0.851 268 E CB 0.180 29.816 29.700 -0.106 0.000 0.795 268 E HN 0.060 nan 8.360 nan 0.000 0.492 269 K N 1.628 122.026 120.400 -0.003 0.000 2.295 269 K HA 0.144 4.464 4.320 -0.001 0.000 0.270 269 K C 0.448 177.078 176.600 0.051 0.000 1.011 269 K CA -0.030 56.275 56.287 0.031 0.000 0.953 269 K CB 0.796 33.323 32.500 0.044 0.000 0.956 269 K HN -0.066 nan 8.250 nan 0.000 0.477 270 K N 2.464 122.900 120.400 0.059 0.000 2.202 270 K HA 0.063 4.383 4.320 -0.001 0.000 0.264 270 K C -1.597 175.082 176.600 0.130 0.000 1.010 270 K CA -1.622 54.707 56.287 0.069 0.000 0.940 270 K CB 0.201 32.732 32.500 0.053 0.000 0.983 270 K HN 0.173 nan 8.250 nan 0.000 0.475 271 P HA -0.251 nan 4.420 nan 0.000 0.214 271 P C 1.166 178.639 177.300 0.290 0.000 1.169 271 P CA 1.317 64.591 63.100 0.290 0.000 0.908 271 P CB 0.219 31.936 31.700 0.029 0.000 0.791 272 Q N 0.040 119.939 119.800 0.165 0.000 2.297 272 Q HA -0.208 4.131 4.340 -0.001 0.000 0.208 272 Q C 1.857 177.952 176.000 0.159 0.000 0.981 272 Q CA 1.647 57.545 55.803 0.158 0.000 0.876 272 Q CB -0.838 27.961 28.738 0.102 0.000 0.921 272 Q HN 0.395 nan 8.270 nan 0.000 0.446 273 E N -1.021 119.262 120.200 0.137 0.000 2.106 273 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 273 E C 1.592 178.262 176.600 0.117 0.000 0.984 273 E CA 0.912 57.380 56.400 0.112 0.000 0.806 273 E CB -0.006 29.745 29.700 0.084 0.000 0.750 273 E HN 0.250 nan 8.360 nan 0.000 0.458 274 L N 0.653 121.949 121.223 0.122 0.000 2.072 274 L HA -0.113 4.227 4.340 -0.001 0.000 0.205 274 L C 2.246 179.193 176.870 0.129 0.000 1.079 274 L CA 1.319 56.196 54.840 0.061 0.000 0.752 274 L CB -0.458 41.540 42.059 -0.101 0.000 0.906 274 L HN 0.118 nan 8.230 nan 0.000 0.436 275 I N -0.353 120.358 120.570 0.235 0.000 2.264 275 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 275 I C 1.874 178.171 176.117 0.300 0.000 1.111 275 I CA 1.102 62.584 61.300 0.303 0.000 1.382 275 I CB -0.378 37.840 38.000 0.362 0.000 1.060 275 I HN 0.260 nan 8.210 nan 0.000 0.418 276 D N 0.165 120.709 120.400 0.241 0.000 2.218 276 D HA -0.106 4.534 4.640 -0.001 0.000 0.204 276 D C 1.891 178.323 176.300 0.218 0.000 0.976 276 D CA 1.438 55.577 54.000 0.232 0.000 0.853 276 D CB 0.083 40.982 40.800 0.165 0.000 0.939 276 D HN 0.395 nan 8.370 nan 0.000 0.481 277 V N -2.305 117.715 119.914 0.176 0.000 3.477 277 V HA 0.196 4.316 4.120 -0.001 0.000 0.297 277 V C 1.759 177.932 176.094 0.131 0.000 1.433 277 V CA 0.019 62.409 62.300 0.150 0.000 1.052 277 V CB 0.322 32.209 31.823 0.107 0.000 0.895 277 V HN -0.060 nan 8.190 nan 0.000 0.438 278 E N 0.924 121.193 120.200 0.116 0.000 2.086 278 E HA -0.289 4.061 4.350 -0.001 0.000 0.200 278 E C 1.605 178.082 176.600 -0.205 0.000 1.012 278 E CA 2.711 59.119 56.400 0.014 0.000 0.812 278 E CB -0.291 29.364 29.700 -0.075 0.000 0.743 278 E HN 0.781 nan 8.360 nan 0.000 0.453 279 W N 0.980 122.281 121.300 0.002 0.000 2.465 279 W HA -0.016 4.643 4.660 -0.001 0.000 0.268 279 W C 1.701 178.185 176.519 -0.059 0.000 1.242 279 W CA 0.407 57.707 57.345 -0.076 0.000 1.248 279 W CB -0.127 29.259 29.460 -0.123 0.000 1.118 279 W HN 0.118 nan 8.180 nan 0.000 0.587 280 N N 0.300 119.078 118.700 0.129 0.000 2.609 280 N HA -0.095 4.645 4.740 -0.001 0.000 0.190 280 N C 1.562 177.070 175.510 -0.003 0.000 1.157 280 N CA 1.384 54.477 53.050 0.072 0.000 0.918 280 N CB -0.520 38.009 38.487 0.070 0.000 0.978 280 N HN 0.282 nan 8.380 nan 0.000 0.448 281 V N -2.682 117.189 119.914 -0.072 0.000 3.621 281 V HA 0.259 4.379 4.120 -0.001 0.000 0.285 281 V C 0.790 176.771 176.094 -0.188 0.000 1.346 281 V CA -0.194 62.025 62.300 -0.135 0.000 1.104 281 V CB -0.518 31.190 31.823 -0.191 0.000 0.913 281 V HN -0.030 nan 8.190 nan 0.000 0.432 282 L N 2.438 123.567 121.223 -0.157 0.000 2.514 282 L HA 0.172 4.512 4.340 -0.001 0.000 0.280 282 L C -0.302 176.439 176.870 -0.215 0.000 1.223 282 L CA -0.672 54.069 54.840 -0.166 0.000 0.864 282 L CB 0.458 42.486 42.059 -0.052 0.000 1.118 282 L HN 0.170 nan 8.230 nan 0.000 0.494 283 P HA -0.015 nan 4.420 nan 0.000 0.227 283 P C -0.241 176.633 177.300 -0.711 0.000 1.161 283 P CA 1.011 63.733 63.100 -0.629 0.000 0.788 283 P CB 0.323 31.455 31.700 -0.947 0.000 0.822 284 F N -0.665 119.281 119.950 -0.007 0.000 2.640 284 F HA 0.414 4.941 4.527 -0.001 0.000 0.324 284 F C 0.304 176.110 175.800 0.009 0.000 1.077 284 F CA -1.595 56.408 58.000 0.005 0.000 0.965 284 F CB 0.051 39.060 39.000 0.015 0.000 1.351 284 F HN -0.376 nan 8.300 nan 0.000 0.487 285 D N 1.213 121.754 120.400 0.235 0.000 2.339 285 D HA 0.432 5.071 4.640 -0.001 0.000 0.256 285 D C -0.684 175.695 176.300 0.131 0.000 1.214 285 D CA 0.448 54.526 54.000 0.130 0.000 0.877 285 D CB 0.451 41.306 40.800 0.093 0.000 1.111 285 D HN 0.648 nan 8.370 nan 0.000 0.478 286 S N 2.687 118.451 115.700 0.106 0.000 2.615 286 S HA 0.711 5.181 4.470 -0.001 0.000 0.269 286 S C -0.350 174.285 174.600 0.058 0.000 1.161 286 S CA -1.011 57.244 58.200 0.091 0.000 0.817 286 S CB 0.746 64.031 63.200 0.142 0.000 1.131 286 S HN 0.456 nan 8.310 nan 0.000 0.467 287 I N -2.903 117.701 120.570 0.057 0.000 2.957 287 I HA 0.794 4.964 4.170 -0.001 0.000 0.310 287 I C -0.324 175.836 176.117 0.072 0.000 1.063 287 I CA -1.174 60.165 61.300 0.064 0.000 1.033 287 I CB 1.181 39.241 38.000 0.100 0.000 1.230 287 I HN 0.774 nan 8.210 nan 0.000 0.447 288 F N 1.565 121.407 119.950 -0.179 0.000 3.091 288 F HA -0.176 4.351 4.527 -0.001 0.000 0.288 288 F C -0.341 175.027 175.800 -0.719 0.000 0.907 288 F CA 0.606 58.289 58.000 -0.528 0.000 1.028 288 F CB -0.634 38.000 39.000 -0.611 0.000 1.022 288 F HN 0.586 nan 8.300 nan 0.000 0.665 289 R N 0.401 120.527 120.500 -0.624 0.000 2.621 289 R HA 0.646 4.986 4.340 -0.001 0.000 0.284 289 R C -1.000 174.850 176.300 -0.750 0.000 0.998 289 R CA -0.575 55.204 56.100 -0.535 0.000 0.895 289 R CB 1.379 31.614 30.300 -0.108 0.000 1.195 289 R HN -0.010 nan 8.270 nan 0.000 0.450 290 F N -0.745 119.305 119.950 0.168 0.000 2.563 290 F HA 0.368 4.895 4.527 -0.001 0.000 0.316 290 F C 1.530 177.219 175.800 -0.185 0.000 1.076 290 F CA -0.846 57.156 58.000 0.003 0.000 0.921 290 F CB 1.759 40.888 39.000 0.215 0.000 1.209 290 F HN 0.355 nan 8.300 nan 0.000 0.462 291 S N 0.580 116.084 115.700 -0.327 0.000 2.348 291 S HA -0.046 4.424 4.470 -0.001 0.000 0.221 291 S C 0.055 174.199 174.600 -0.759 0.000 1.033 291 S CA 1.208 59.024 58.200 -0.640 0.000 1.010 291 S CB -0.250 62.393 63.200 -0.929 0.000 0.891 291 S HN 0.345 nan 8.310 nan 0.000 0.442 292 F N 1.744 121.697 119.950 0.006 0.000 2.375 292 F HA 0.575 5.102 4.527 -0.001 0.000 0.361 292 F C 0.055 175.873 175.800 0.031 0.000 1.117 292 F CA -0.980 57.064 58.000 0.072 0.000 1.037 292 F CB 1.221 40.303 39.000 0.138 0.000 1.192 292 F HN -0.074 nan 8.300 nan 0.000 0.452 293 V N 0.862 120.776 119.914 0.000 0.000 3.167 293 V HA 0.743 4.863 4.120 -0.001 0.000 0.310 293 V C -2.909 172.916 176.094 -0.448 0.000 1.207 293 V CA -3.324 58.676 62.300 -0.501 0.000 1.059 293 V CB 1.891 33.560 31.823 -0.255 0.000 1.079 293 V HN 0.274 nan 8.190 nan 0.000 0.446 294 P HA 0.148 nan 4.420 nan 0.000 0.266 294 P C -0.861 176.359 177.300 -0.133 0.000 1.186 294 P CA 0.509 63.431 63.100 -0.296 0.000 0.767 294 P CB 0.530 31.973 31.700 -0.430 0.000 0.820 295 V N 4.921 124.846 119.914 0.019 0.000 2.604 295 V HA 0.332 4.452 4.120 -0.001 0.000 0.305 295 V C -0.465 175.671 176.094 0.070 0.000 1.043 295 V CA -0.965 61.334 62.300 -0.002 0.000 0.888 295 V CB 1.409 33.247 31.823 0.025 0.000 0.995 295 V HN 0.230 nan 8.190 nan 0.000 0.429 296 I N 7.083 127.631 120.570 -0.037 0.000 2.357 296 I HA 0.220 4.390 4.170 -0.001 0.000 0.300 296 I C 0.913 177.036 176.117 0.010 0.000 1.159 296 I CA 0.245 61.550 61.300 0.010 0.000 1.339 296 I CB 0.004 37.933 38.000 -0.119 0.000 1.458 296 I HN 0.832 nan 8.210 nan 0.000 0.577 297 D N 3.306 123.771 120.400 0.109 0.000 2.379 297 D HA 0.075 4.714 4.640 -0.001 0.000 0.208 297 D C 1.376 177.692 176.300 0.028 0.000 1.065 297 D CA 0.689 54.665 54.000 -0.039 0.000 0.848 297 D CB 0.563 41.417 40.800 0.091 0.000 0.949 297 D HN 0.636 nan 8.370 nan 0.000 0.509 298 G N 0.396 109.262 108.800 0.110 0.000 2.179 298 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 298 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 298 G C 0.812 175.781 174.900 0.115 0.000 0.977 298 G CA 0.653 45.817 45.100 0.106 0.000 0.641 298 G HN 0.468 nan 8.290 nan 0.000 0.533 299 E N -1.473 118.809 120.200 0.136 0.000 2.357 299 E HA 0.428 4.777 4.350 -0.001 0.000 0.190 299 E C 1.772 178.400 176.600 0.047 0.000 1.022 299 E CA -0.172 56.286 56.400 0.096 0.000 1.068 299 E CB -0.016 29.758 29.700 0.124 0.000 1.465 299 E HN 0.176 nan 8.360 nan 0.000 0.503 300 F N 0.851 120.728 119.950 -0.123 0.000 2.126 300 F HA -0.066 4.460 4.527 -0.001 0.000 0.299 300 F C 0.191 175.704 175.800 -0.478 0.000 1.096 300 F CA 1.232 59.025 58.000 -0.345 0.000 1.255 300 F CB 0.235 38.933 39.000 -0.504 0.000 0.997 300 F HN -0.100 nan 8.300 nan 0.000 0.479 301 F N 0.714 120.817 119.950 0.255 0.000 2.375 301 F HA 0.347 4.873 4.527 -0.001 0.000 0.361 301 F C -1.624 174.218 175.800 0.071 0.000 1.117 301 F CA -2.828 55.259 58.000 0.145 0.000 1.037 301 F CB 0.625 39.702 39.000 0.128 0.000 1.192 301 F HN -0.232 nan 8.300 nan 0.000 0.452 302 P HA -0.062 nan 4.420 nan 0.000 0.216 302 P C 0.447 177.807 177.300 0.099 0.000 1.153 302 P CA 1.437 64.596 63.100 0.098 0.000 0.848 302 P CB 0.162 31.893 31.700 0.052 0.000 0.787 303 T N -5.296 109.324 114.554 0.110 0.000 2.693 303 T HA 0.504 4.853 4.350 -0.001 0.000 0.278 303 T C -0.046 174.696 174.700 0.070 0.000 0.994 303 T CA -0.684 61.460 62.100 0.073 0.000 1.033 303 T CB 0.755 69.653 68.868 0.050 0.000 1.342 303 T HN 0.013 nan 8.240 nan 0.000 0.538 304 S N 0.002 115.719 115.700 0.027 0.000 2.569 304 S HA 0.128 4.598 4.470 -0.001 0.000 0.274 304 S C 1.460 176.059 174.600 -0.001 0.000 1.353 304 S CA -0.642 57.551 58.200 -0.012 0.000 1.023 304 S CB -0.389 62.801 63.200 -0.017 0.000 0.876 304 S HN 0.653 nan 8.310 nan 0.000 0.540 305 L N 0.332 121.516 121.223 -0.066 0.000 2.056 305 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 305 L C 2.917 179.816 176.870 0.048 0.000 1.078 305 L CA 1.756 56.575 54.840 -0.035 0.000 0.749 305 L CB -0.806 41.168 42.059 -0.143 0.000 0.901 305 L HN 0.801 nan 8.230 nan 0.000 0.433 306 E N 0.919 121.142 120.200 0.039 0.000 2.058 306 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 306 E C 2.268 178.928 176.600 0.100 0.000 0.997 306 E CA 1.929 58.387 56.400 0.096 0.000 0.801 306 E CB -0.125 29.619 29.700 0.074 0.000 0.746 306 E HN 0.472 nan 8.360 nan 0.000 0.450 307 S N -0.615 115.127 115.700 0.070 0.000 2.406 307 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 307 S C 2.129 176.775 174.600 0.077 0.000 1.020 307 S CA 1.072 59.312 58.200 0.066 0.000 0.965 307 S CB -0.344 62.882 63.200 0.043 0.000 0.798 307 S HN 0.249 nan 8.310 nan 0.000 0.488 308 M N 1.043 120.703 119.600 0.100 0.000 2.117 308 M HA 0.011 4.490 4.480 -0.001 0.000 0.262 308 M C 2.170 178.605 176.300 0.225 0.000 1.065 308 M CA 1.484 56.867 55.300 0.139 0.000 1.114 308 M CB -0.686 32.028 32.600 0.190 0.000 1.361 308 M HN 0.314 nan 8.290 nan 0.000 0.408 309 L N -0.171 121.196 121.223 0.240 0.000 2.093 309 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 309 L C 2.213 179.250 176.870 0.280 0.000 1.085 309 L CA 0.801 55.824 54.840 0.303 0.000 0.755 309 L CB -0.799 41.348 42.059 0.146 0.000 0.904 309 L HN 0.354 nan 8.230 nan 0.000 0.435 310 N N -0.115 118.688 118.700 0.172 0.000 2.120 310 N HA -0.138 4.602 4.740 -0.001 0.000 0.188 310 N C 1.887 177.482 175.510 0.141 0.000 1.024 310 N CA 1.767 54.914 53.050 0.162 0.000 0.852 310 N CB -0.139 38.416 38.487 0.115 0.000 1.003 310 N HN 0.333 nan 8.380 nan 0.000 0.424 311 S N -1.114 114.590 115.700 0.007 0.000 2.605 311 S HA 0.281 4.751 4.470 -0.001 0.000 0.217 311 S C 1.232 175.490 174.600 -0.570 0.000 0.958 311 S CA 0.345 58.465 58.200 -0.134 0.000 0.919 311 S CB 0.156 63.296 63.200 -0.099 0.000 0.780 311 S HN 0.395 nan 8.310 nan 0.000 0.507 312 G N 1.999 110.236 108.800 -0.939 0.000 2.160 312 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.251 312 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.251 312 G C -0.004 174.062 174.900 -1.389 0.000 1.008 312 G CA 0.089 43.978 45.100 -2.017 0.000 0.724 312 G HN 0.603 nan 8.290 nan 0.000 0.514 313 N N 0.623 118.933 118.700 -0.650 0.000 2.895 313 N HA 0.507 5.247 4.740 -0.001 0.000 0.277 313 N C -0.166 175.293 175.510 -0.085 0.000 1.185 313 N CA -0.084 52.770 53.050 -0.326 0.000 1.106 313 N CB -0.875 37.549 38.487 -0.105 0.000 1.422 313 N HN 0.708 nan 8.380 nan 0.000 0.521 314 F N -1.081 118.814 119.950 -0.090 0.000 2.770 314 F HA 0.388 4.915 4.527 -0.000 0.000 0.313 314 F C -0.340 175.481 175.800 0.035 0.000 1.154 314 F CA -1.402 56.614 58.000 0.028 0.000 0.923 314 F CB 0.599 39.683 39.000 0.139 0.000 1.301 314 F HN -0.167 nan 8.300 nan 0.000 0.449 315 K N 2.070 122.712 120.400 0.402 0.000 2.451 315 K HA 0.127 4.447 4.320 -0.001 0.000 0.280 315 K C -0.828 176.017 176.600 0.408 0.000 1.020 315 K CA -0.242 56.199 56.287 0.258 0.000 1.008 315 K CB 0.496 33.088 32.500 0.153 0.000 0.917 315 K HN 0.568 nan 8.250 nan 0.000 0.478 316 K N 3.517 124.038 120.400 0.200 0.000 2.264 316 K HA 0.188 4.507 4.320 -0.001 0.000 0.277 316 K C 0.034 176.768 176.600 0.223 0.000 1.067 316 K CA -0.349 56.061 56.287 0.205 0.000 0.900 316 K CB 1.584 34.110 32.500 0.043 0.000 1.124 316 K HN 0.740 nan 8.250 nan 0.000 0.469 317 T N 1.165 115.941 114.554 0.370 0.000 2.630 317 T HA 0.258 4.608 4.350 -0.001 0.000 0.300 317 T C -1.356 173.546 174.700 0.335 0.000 1.261 317 T CA -0.475 61.782 62.100 0.262 0.000 1.060 317 T CB 0.846 69.831 68.868 0.195 0.000 1.670 317 T HN 0.407 nan 8.240 nan 0.000 0.473 318 Q N 1.035 120.998 119.800 0.271 0.000 2.222 318 Q HA 0.767 5.106 4.340 -0.001 0.000 0.252 318 Q C -0.325 175.939 176.000 0.440 0.000 0.926 318 Q CA -0.512 55.505 55.803 0.357 0.000 0.899 318 Q CB 1.411 30.364 28.738 0.358 0.000 1.250 318 Q HN 0.687 nan 8.270 nan 0.000 0.441 319 I N -1.473 119.293 120.570 0.326 0.000 2.865 319 I HA 0.700 4.870 4.170 -0.001 0.000 0.302 319 I C -1.585 174.419 176.117 -0.189 0.000 1.140 319 I CA -1.402 59.964 61.300 0.109 0.000 1.021 319 I CB 1.946 39.844 38.000 -0.170 0.000 1.233 319 I HN 0.572 nan 8.210 nan 0.000 0.427 320 L N 6.834 127.723 121.223 -0.556 0.000 2.409 320 L HA 0.805 5.145 4.340 -0.001 0.000 0.272 320 L C -1.454 175.185 176.870 -0.385 0.000 0.980 320 L CA -0.522 53.881 54.840 -0.728 0.000 0.826 320 L CB 1.719 42.801 42.059 -1.628 0.000 1.268 320 L HN 0.859 nan 8.230 nan 0.000 0.407 321 L N 2.446 123.564 121.223 -0.175 0.000 2.720 321 L HA 1.091 5.430 4.340 -0.001 0.000 0.261 321 L C -0.898 175.710 176.870 -0.437 0.000 1.046 321 L CA -0.356 54.394 54.840 -0.150 0.000 0.886 321 L CB 1.860 43.839 42.059 -0.133 0.000 1.493 321 L HN 0.700 nan 8.230 nan 0.000 0.407 322 G N -0.003 108.361 108.800 -0.726 0.000 2.428 322 G HA2 0.585 4.545 3.960 -0.001 0.000 0.304 322 G HA3 0.585 4.545 3.960 -0.001 0.000 0.304 322 G C -1.511 173.053 174.900 -0.560 0.000 1.303 322 G CA 0.019 44.385 45.100 -1.223 0.000 0.825 322 G HN 1.512 nan 8.290 nan 0.000 0.484 323 V N -2.457 117.284 119.914 -0.289 0.000 3.141 323 V HA 0.880 5.000 4.120 -0.001 0.000 0.312 323 V C -0.944 175.245 176.094 0.158 0.000 1.157 323 V CA -1.391 60.943 62.300 0.057 0.000 1.041 323 V CB 1.901 33.768 31.823 0.072 0.000 1.071 323 V HN 0.678 nan 8.190 nan 0.000 0.441 324 N N 0.830 119.623 118.700 0.154 0.000 2.472 324 N HA 0.435 5.175 4.740 -0.001 0.000 0.289 324 N C 0.540 175.980 175.510 -0.117 0.000 1.156 324 N CA -0.582 52.541 53.050 0.121 0.000 0.940 324 N CB 1.725 40.389 38.487 0.294 0.000 1.200 324 N HN 0.911 nan 8.380 nan 0.000 0.511 325 K N -0.005 120.243 120.400 -0.254 0.000 2.097 325 K HA -0.045 4.275 4.320 -0.001 0.000 0.205 325 K C -0.672 175.997 176.600 0.115 0.000 1.050 325 K CA 1.190 57.392 56.287 -0.141 0.000 0.938 325 K CB 0.220 32.680 32.500 -0.068 0.000 0.718 325 K HN 0.513 nan 8.250 nan 0.000 0.442 326 D N 1.329 121.805 120.400 0.128 0.000 2.634 326 D HA 0.044 4.684 4.640 -0.001 0.000 0.318 326 D C 0.131 176.549 176.300 0.197 0.000 1.226 326 D CA -0.087 54.010 54.000 0.162 0.000 0.899 326 D CB 1.302 42.178 40.800 0.127 0.000 1.025 326 D HN 0.160 nan 8.370 nan 0.000 0.501 327 E N 0.487 120.825 120.200 0.229 0.000 2.153 327 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 327 E C 1.963 178.754 176.600 0.318 0.000 0.988 327 E CA 0.582 57.163 56.400 0.302 0.000 0.811 327 E CB 0.173 30.035 29.700 0.270 0.000 0.746 327 E HN 0.406 nan 8.360 nan 0.000 0.466 328 G N 1.368 110.321 108.800 0.254 0.000 2.623 328 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.214 328 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.214 328 G C 1.715 176.785 174.900 0.283 0.000 1.138 328 G CA 0.812 46.094 45.100 0.303 0.000 0.794 328 G HN 0.349 nan 8.290 nan 0.000 0.535 329 S N 0.553 116.355 115.700 0.169 0.000 2.383 329 S HA -0.164 4.306 4.470 -0.001 0.000 0.229 329 S C 2.046 176.570 174.600 -0.126 0.000 1.030 329 S CA 1.025 59.253 58.200 0.047 0.000 1.002 329 S CB -0.568 62.572 63.200 -0.100 0.000 0.829 329 S HN 0.152 nan 8.310 nan 0.000 0.467 330 F N 1.970 121.751 119.950 -0.283 0.000 2.095 330 F HA 0.018 4.544 4.527 -0.001 0.000 0.298 330 F C 1.886 177.348 175.800 -0.563 0.000 1.104 330 F CA 1.064 58.719 58.000 -0.576 0.000 1.232 330 F CB -0.703 37.703 39.000 -0.990 0.000 0.987 330 F HN 0.187 nan 8.300 nan 0.000 0.475 331 F N -0.703 119.243 119.950 -0.007 0.000 2.325 331 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 331 F C 2.108 177.869 175.800 -0.065 0.000 1.090 331 F CA 0.770 58.722 58.000 -0.080 0.000 1.392 331 F CB -1.112 37.776 39.000 -0.187 0.000 1.053 331 F HN -0.105 nan 8.300 nan 0.000 0.521 332 L N -0.833 120.360 121.223 -0.050 0.000 2.095 332 L HA -0.119 4.221 4.340 -0.001 0.000 0.204 332 L C 2.412 179.087 176.870 -0.324 0.000 1.080 332 L CA 0.434 55.020 54.840 -0.424 0.000 0.759 332 L CB -0.702 40.688 42.059 -1.115 0.000 0.914 332 L HN 0.126 nan 8.230 nan 0.000 0.439 333 L N -0.793 120.412 121.223 -0.030 0.000 2.013 333 L HA -0.273 4.066 4.340 -0.001 0.000 0.212 333 L C 2.395 179.391 176.870 0.210 0.000 1.073 333 L CA 2.092 57.083 54.840 0.251 0.000 0.753 333 L CB -0.697 41.516 42.059 0.258 0.000 0.890 333 L HN 0.120 nan 8.230 nan 0.000 0.432 334 Y N -0.532 119.790 120.300 0.037 0.000 2.373 334 Y HA 0.162 4.712 4.550 -0.001 0.000 0.293 334 Y C 2.244 178.139 175.900 -0.008 0.000 1.129 334 Y CA 1.022 59.144 58.100 0.035 0.000 1.226 334 Y CB -0.306 38.153 38.460 -0.001 0.000 1.000 334 Y HN 0.319 nan 8.280 nan 0.000 0.549 335 G N -1.811 107.057 108.800 0.114 0.000 4.008 335 G HA2 0.481 4.440 3.960 -0.001 0.000 0.278 335 G HA3 0.481 4.440 3.960 -0.001 0.000 0.278 335 G C -0.342 174.590 174.900 0.053 0.000 1.021 335 G CA 0.326 45.461 45.100 0.058 0.000 0.833 335 G HN 0.280 nan 8.290 nan 0.000 0.454 336 A N 1.629 124.485 122.820 0.061 0.000 2.317 336 A HA 0.836 5.156 4.320 -0.001 0.000 0.327 336 A C -2.504 175.229 177.584 0.249 0.000 1.178 336 A CA -1.609 50.503 52.037 0.124 0.000 0.817 336 A CB 1.410 20.457 19.000 0.080 0.000 1.189 336 A HN 0.062 nan 8.150 nan 0.000 0.489 337 P HA 0.270 nan 4.420 nan 0.000 0.268 337 P C 0.825 178.197 177.300 0.120 0.000 1.204 337 P CA 1.438 64.614 63.100 0.127 0.000 0.768 337 P CB 1.132 32.875 31.700 0.070 0.000 0.842 338 G N 1.817 110.637 108.800 0.033 0.000 2.232 338 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.226 338 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.226 338 G C -0.275 174.465 174.900 -0.266 0.000 0.996 338 G CA -0.492 44.524 45.100 -0.140 0.000 0.626 338 G HN 0.435 nan 8.290 nan 0.000 0.509 339 F N 2.291 122.173 119.950 -0.113 0.000 2.421 339 F HA 0.695 5.222 4.527 -0.001 0.000 0.337 339 F C 0.790 176.571 175.800 -0.032 0.000 1.105 339 F CA 0.008 57.901 58.000 -0.178 0.000 1.049 339 F CB 2.211 41.138 39.000 -0.122 0.000 1.139 339 F HN 0.314 nan 8.300 nan 0.000 0.479 340 S N 1.139 116.952 115.700 0.187 0.000 2.570 340 S HA 0.359 4.828 4.470 -0.001 0.000 0.270 340 S C 0.275 175.094 174.600 0.364 0.000 1.149 340 S CA -1.199 57.149 58.200 0.246 0.000 0.837 340 S CB 2.084 65.361 63.200 0.128 0.000 1.124 340 S HN 0.674 nan 8.310 nan 0.000 0.465 341 K N -0.038 120.533 120.400 0.284 0.000 2.147 341 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 341 K C -0.064 176.603 176.600 0.112 0.000 1.049 341 K CA 1.650 58.028 56.287 0.151 0.000 0.936 341 K CB -0.130 32.184 32.500 -0.310 0.000 0.722 341 K HN 0.598 nan 8.250 nan 0.000 0.446 342 D N 0.182 120.630 120.400 0.080 0.000 2.368 342 D HA 0.025 4.665 4.640 -0.001 0.000 0.218 342 D C -0.030 176.315 176.300 0.076 0.000 1.112 342 D CA 0.107 54.133 54.000 0.043 0.000 0.834 342 D CB 0.809 41.600 40.800 -0.014 0.000 0.953 342 D HN 0.185 nan 8.370 nan 0.000 0.505 343 S N -1.048 114.720 115.700 0.113 0.000 2.709 343 S HA 0.352 4.821 4.470 -0.001 0.000 0.302 343 S C 0.778 175.415 174.600 0.062 0.000 1.127 343 S CA -0.696 57.532 58.200 0.047 0.000 0.905 343 S CB 2.263 65.445 63.200 -0.030 0.000 1.151 343 S HN -0.149 nan 8.310 nan 0.000 0.510 344 E N 0.629 120.820 120.200 -0.015 0.000 2.478 344 E HA 0.074 4.423 4.350 -0.001 0.000 0.198 344 E C -0.309 176.045 176.600 -0.410 0.000 1.046 344 E CA 0.451 56.824 56.400 -0.046 0.000 0.870 344 E CB -0.235 29.451 29.700 -0.023 0.000 0.818 344 E HN 0.691 nan 8.360 nan 0.000 0.527 345 S N 1.035 116.442 115.700 -0.487 0.000 3.614 345 S HA -0.186 4.283 4.470 -0.001 0.000 0.360 345 S C -0.236 173.977 174.600 -0.644 0.000 1.023 345 S CA 0.661 58.426 58.200 -0.725 0.000 1.114 345 S CB -1.255 61.135 63.200 -1.349 0.000 0.907 345 S HN 0.296 nan 8.310 nan 0.000 0.470 346 K N 0.817 120.987 120.400 -0.383 0.000 2.401 346 K HA 0.283 4.602 4.320 -0.001 0.000 0.278 346 K C 0.314 176.716 176.600 -0.330 0.000 1.018 346 K CA -0.009 56.104 56.287 -0.291 0.000 0.981 346 K CB 0.395 32.789 32.500 -0.175 0.000 0.933 346 K HN 0.208 nan 8.250 nan 0.000 0.477 347 I N 2.544 122.934 120.570 -0.301 0.000 2.377 347 I HA 0.070 4.239 4.170 -0.001 0.000 0.293 347 I C 0.841 176.881 176.117 -0.128 0.000 0.987 347 I CA -0.367 60.773 61.300 -0.266 0.000 1.185 347 I CB 1.356 39.184 38.000 -0.286 0.000 1.341 347 I HN 0.702 nan 8.210 nan 0.000 0.455 348 S N 6.586 122.230 115.700 -0.093 0.000 2.624 348 S HA 0.318 4.787 4.470 -0.001 0.000 0.263 348 S C 1.272 175.876 174.600 0.006 0.000 1.287 348 S CA -0.476 57.694 58.200 -0.049 0.000 0.990 348 S CB 1.495 64.673 63.200 -0.038 0.000 0.950 348 S HN 0.514 nan 8.310 nan 0.000 0.561 349 R N 1.547 122.048 120.500 0.003 0.000 2.103 349 R HA -0.112 4.228 4.340 -0.001 0.000 0.242 349 R C 2.260 178.637 176.300 0.128 0.000 1.142 349 R CA 2.072 58.200 56.100 0.048 0.000 0.960 349 R CB -1.053 29.272 30.300 0.042 0.000 0.858 349 R HN 0.928 nan 8.270 nan 0.000 0.439 350 E N -0.015 120.233 120.200 0.080 0.000 2.106 350 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 350 E C 1.189 177.838 176.600 0.081 0.000 0.984 350 E CA 0.941 57.389 56.400 0.079 0.000 0.806 350 E CB -0.318 29.410 29.700 0.047 0.000 0.750 350 E HN 0.259 nan 8.360 nan 0.000 0.458 351 D N 0.288 120.728 120.400 0.066 0.000 2.224 351 D HA -0.049 4.591 4.640 -0.001 0.000 0.205 351 D C 1.591 177.952 176.300 0.102 0.000 0.965 351 D CA 0.334 54.368 54.000 0.055 0.000 0.852 351 D CB -0.391 40.405 40.800 -0.007 0.000 0.947 351 D HN 0.111 nan 8.370 nan 0.000 0.494 352 F N 1.101 121.048 119.950 -0.005 0.000 2.102 352 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 352 F C 2.309 178.133 175.800 0.040 0.000 1.105 352 F CA 1.296 59.306 58.000 0.017 0.000 1.239 352 F CB -0.229 38.763 39.000 -0.013 0.000 0.991 352 F HN -0.172 nan 8.300 nan 0.000 0.474 353 M N -0.682 119.012 119.600 0.158 0.000 2.108 353 M HA -0.247 4.232 4.480 -0.001 0.000 0.261 353 M C 2.347 178.636 176.300 -0.018 0.000 1.066 353 M CA 1.911 57.251 55.300 0.066 0.000 1.107 353 M CB -0.557 32.117 32.600 0.123 0.000 1.356 353 M HN 0.064 nan 8.290 nan 0.000 0.406 354 S N 0.169 115.874 115.700 0.009 0.000 2.368 354 S HA -0.097 4.373 4.470 -0.001 0.000 0.225 354 S C 1.957 176.541 174.600 -0.026 0.000 1.030 354 S CA 1.412 59.614 58.200 0.004 0.000 0.999 354 S CB -0.749 62.469 63.200 0.031 0.000 0.844 354 S HN 0.701 nan 8.310 nan 0.000 0.459 355 G N 1.057 109.827 108.800 -0.050 0.000 2.422 355 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.218 355 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.218 355 G C 1.589 176.391 174.900 -0.165 0.000 1.146 355 G CA 1.134 46.190 45.100 -0.072 0.000 0.769 355 G HN 0.530 nan 8.290 nan 0.000 0.547 356 V N 0.122 119.872 119.914 -0.273 0.000 2.548 356 V HA 0.067 4.186 4.120 -0.001 0.000 0.249 356 V C 2.515 178.535 176.094 -0.123 0.000 1.055 356 V CA 2.535 64.698 62.300 -0.229 0.000 1.065 356 V CB -0.254 31.404 31.823 -0.276 0.000 0.681 356 V HN 0.270 nan 8.190 nan 0.000 0.462 357 K N 0.368 120.711 120.400 -0.095 0.000 2.002 357 K HA -0.100 4.220 4.320 -0.001 0.000 0.209 357 K C 1.900 178.460 176.600 -0.067 0.000 1.048 357 K CA 2.189 58.432 56.287 -0.073 0.000 0.930 357 K CB -0.907 31.568 32.500 -0.041 0.000 0.714 357 K HN 0.432 nan 8.250 nan 0.000 0.438 358 L N 0.959 122.157 121.223 -0.041 0.000 2.131 358 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 358 L C 2.062 178.923 176.870 -0.014 0.000 1.092 358 L CA 1.726 56.559 54.840 -0.012 0.000 0.759 358 L CB -0.951 41.112 42.059 0.006 0.000 0.903 358 L HN 0.186 nan 8.230 nan 0.000 0.435 359 S N -1.799 113.875 115.700 -0.043 0.000 2.470 359 S HA 0.062 4.532 4.470 -0.001 0.000 0.225 359 S C 0.934 175.489 174.600 -0.076 0.000 1.006 359 S CA 0.259 58.437 58.200 -0.038 0.000 0.934 359 S CB 0.292 63.452 63.200 -0.067 0.000 0.778 359 S HN 0.169 nan 8.310 nan 0.000 0.517 360 V N 2.939 122.778 119.914 -0.126 0.000 2.468 360 V HA 0.206 4.326 4.120 -0.001 0.000 0.256 360 V C -1.788 174.142 176.094 -0.273 0.000 0.998 360 V CA -1.358 60.800 62.300 -0.237 0.000 1.114 360 V CB 0.874 32.549 31.823 -0.246 0.000 1.378 360 V HN 0.145 nan 8.190 nan 0.000 0.573 361 P HA -0.207 nan 4.420 nan 0.000 0.218 361 P C 1.069 177.940 177.300 -0.716 0.000 1.146 361 P CA 1.650 64.557 63.100 -0.321 0.000 0.813 361 P CB 0.021 31.648 31.700 -0.122 0.000 0.778 362 H N -1.180 117.535 119.070 -0.593 0.000 2.539 362 H HA 0.507 5.063 4.556 -0.001 0.000 0.267 362 H C 0.379 175.527 175.328 -0.300 0.000 0.982 362 H CA -0.278 55.439 56.048 -0.551 0.000 1.146 362 H CB -0.539 29.074 29.762 -0.247 0.000 1.382 362 H HN -0.006 nan 8.280 nan 0.000 0.577 363 A N 2.203 124.670 122.820 -0.587 0.000 2.310 363 A HA 0.313 4.632 4.320 -0.001 0.000 0.299 363 A C 0.332 177.778 177.584 -0.229 0.000 1.147 363 A CA -0.614 51.185 52.037 -0.397 0.000 0.818 363 A CB 0.653 19.430 19.000 -0.372 0.000 1.096 363 A HN 0.626 nan 8.150 nan 0.000 0.495 364 N N 1.241 119.848 118.700 -0.154 0.000 2.366 364 N HA 0.130 4.870 4.740 -0.001 0.000 0.277 364 N C -0.062 175.404 175.510 -0.073 0.000 1.275 364 N CA -0.196 52.797 53.050 -0.095 0.000 0.964 364 N CB 0.022 38.470 38.487 -0.067 0.000 1.167 364 N HN 0.471 nan 8.380 nan 0.000 0.568 365 D N -0.885 119.490 120.400 -0.042 0.000 2.123 365 D HA -0.124 4.516 4.640 -0.001 0.000 0.196 365 D C 1.675 177.972 176.300 -0.005 0.000 0.992 365 D CA 0.863 54.851 54.000 -0.019 0.000 0.833 365 D CB -0.256 40.540 40.800 -0.006 0.000 0.954 365 D HN 0.450 nan 8.370 nan 0.000 0.455 366 L N 0.468 121.685 121.223 -0.009 0.000 2.083 366 L HA 0.009 4.348 4.340 -0.001 0.000 0.209 366 L C 2.120 179.001 176.870 0.018 0.000 1.083 366 L CA 2.002 56.848 54.840 0.010 0.000 0.752 366 L CB -0.935 41.122 42.059 -0.004 0.000 0.899 366 L HN 0.084 nan 8.230 nan 0.000 0.433 367 G N -0.306 108.478 108.800 -0.027 0.000 2.459 367 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 367 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 367 G C 1.588 176.493 174.900 0.008 0.000 1.183 367 G CA 1.163 46.237 45.100 -0.044 0.000 0.776 367 G HN 0.442 nan 8.290 nan 0.000 0.552 368 L N 0.460 121.676 121.223 -0.012 0.000 2.042 368 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 368 L C 2.561 179.479 176.870 0.080 0.000 1.076 368 L CA 1.270 56.120 54.840 0.017 0.000 0.749 368 L CB -0.435 41.620 42.059 -0.006 0.000 0.893 368 L HN 0.098 nan 8.230 nan 0.000 0.432 369 D N 0.212 120.663 120.400 0.085 0.000 2.117 369 D HA -0.160 4.479 4.640 -0.001 0.000 0.197 369 D C 2.264 178.655 176.300 0.152 0.000 0.987 369 D CA 1.533 55.604 54.000 0.119 0.000 0.829 369 D CB -0.117 40.740 40.800 0.094 0.000 0.961 369 D HN 0.314 nan 8.370 nan 0.000 0.460 370 A N 0.531 123.459 122.820 0.181 0.000 1.908 370 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 370 A C 2.533 180.234 177.584 0.196 0.000 1.181 370 A CA 1.377 53.576 52.037 0.271 0.000 0.627 370 A CB -0.796 18.495 19.000 0.484 0.000 0.818 370 A HN 0.152 nan 8.150 nan 0.000 0.445 371 V N -0.385 119.670 119.914 0.234 0.000 2.295 371 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 371 V C 2.758 178.945 176.094 0.155 0.000 1.049 371 V CA 2.507 64.884 62.300 0.128 0.000 1.024 371 V CB -1.289 30.645 31.823 0.185 0.000 0.648 371 V HN 0.609 nan 8.190 nan 0.000 0.447 372 T N 0.535 115.211 114.554 0.203 0.000 2.684 372 T HA -0.216 4.133 4.350 -0.001 0.000 0.267 372 T C 1.887 176.738 174.700 0.252 0.000 1.036 372 T CA 1.958 64.244 62.100 0.310 0.000 1.148 372 T CB -0.381 68.682 68.868 0.326 0.000 0.863 372 T HN 0.296 nan 8.240 nan 0.000 0.436 373 L N 1.208 122.550 121.223 0.199 0.000 2.083 373 L HA -0.021 4.319 4.340 -0.001 0.000 0.209 373 L C 2.397 179.271 176.870 0.007 0.000 1.083 373 L CA 1.784 56.737 54.840 0.189 0.000 0.752 373 L CB -0.810 41.337 42.059 0.146 0.000 0.899 373 L HN 0.111 nan 8.230 nan 0.000 0.433 374 Q N -1.568 118.139 119.800 -0.155 0.000 2.291 374 Q HA -0.155 4.185 4.340 -0.001 0.000 0.205 374 Q C 0.734 176.459 176.000 -0.459 0.000 0.970 374 Q CA 1.642 57.179 55.803 -0.444 0.000 0.876 374 Q CB -0.087 28.044 28.738 -1.012 0.000 0.935 374 Q HN 0.696 nan 8.270 nan 0.000 0.455 375 Y N -1.714 118.522 120.300 -0.106 0.000 2.641 375 Y HA 0.345 4.894 4.550 -0.001 0.000 0.248 375 Y C -0.326 175.508 175.900 -0.110 0.000 1.170 375 Y CA -0.332 57.756 58.100 -0.020 0.000 1.201 375 Y CB 1.116 39.667 38.460 0.152 0.000 1.232 375 Y HN -0.211 nan 8.280 nan 0.000 0.537 376 T N 0.886 115.342 114.554 -0.162 0.000 2.771 376 T HA 0.096 4.446 4.350 -0.001 0.000 0.281 376 T C -0.800 173.567 174.700 -0.555 0.000 0.982 376 T CA -0.624 61.155 62.100 -0.535 0.000 0.978 376 T CB 1.029 69.331 68.868 -0.944 0.000 0.930 376 T HN -0.000 nan 8.240 nan 0.000 0.447 377 D N 2.152 122.267 120.400 -0.475 0.000 2.422 377 D HA 0.079 4.719 4.640 -0.001 0.000 0.227 377 D C 0.111 176.187 176.300 -0.374 0.000 1.190 377 D CA -0.702 53.116 54.000 -0.302 0.000 0.905 377 D CB 0.324 41.007 40.800 -0.196 0.000 1.034 377 D HN 0.623 nan 8.370 nan 0.000 0.507 378 W N 2.992 124.252 121.300 -0.066 0.000 2.848 378 W HA 0.008 4.667 4.660 -0.001 0.000 0.241 378 W C 1.802 178.292 176.519 -0.049 0.000 1.289 378 W CA -0.062 57.248 57.345 -0.058 0.000 1.396 378 W CB 0.003 29.434 29.460 -0.049 0.000 1.138 378 W HN 0.399 nan 8.180 nan 0.000 0.677 379 M N -0.647 119.010 119.600 0.095 0.000 2.428 379 M HA 0.070 4.550 4.480 -0.001 0.000 0.239 379 M C 0.037 176.348 176.300 0.019 0.000 1.121 379 M CA 0.870 56.209 55.300 0.066 0.000 1.019 379 M CB 0.360 32.979 32.600 0.032 0.000 1.485 379 M HN -0.226 nan 8.290 nan 0.000 0.484 380 D N 0.158 120.539 120.400 -0.031 0.000 3.671 380 D HA -0.025 4.614 4.640 -0.001 0.000 0.291 380 D C 0.284 176.498 176.300 -0.145 0.000 1.373 380 D CA 0.074 54.035 54.000 -0.065 0.000 0.753 380 D CB 0.243 41.004 40.800 -0.065 0.000 1.338 380 D HN 0.225 nan 8.370 nan 0.000 0.690 381 D N -0.780 119.524 120.400 -0.159 0.000 2.310 381 D HA -0.120 4.519 4.640 -0.001 0.000 0.212 381 D C 0.620 176.776 176.300 -0.241 0.000 0.965 381 D CA 0.244 54.053 54.000 -0.319 0.000 0.879 381 D CB 0.169 40.749 40.800 -0.367 0.000 0.921 381 D HN 0.182 nan 8.370 nan 0.000 0.510 382 N N 0.732 119.353 118.700 -0.131 0.000 2.268 382 N HA -0.042 4.698 4.740 -0.001 0.000 0.204 382 N C -0.003 175.442 175.510 -0.108 0.000 1.124 382 N CA -0.160 52.827 53.050 -0.106 0.000 0.838 382 N CB 0.027 38.482 38.487 -0.053 0.000 0.994 382 N HN 0.147 nan 8.380 nan 0.000 0.489 383 N N 0.978 119.602 118.700 -0.126 0.000 2.416 383 N HA 0.028 4.768 4.740 -0.001 0.000 0.265 383 N C 1.253 176.692 175.510 -0.119 0.000 1.195 383 N CA 0.067 53.054 53.050 -0.104 0.000 0.943 383 N CB 0.891 39.320 38.487 -0.097 0.000 1.115 383 N HN 0.127 nan 8.380 nan 0.000 0.481 384 G N 3.788 112.526 108.800 -0.102 0.000 2.448 384 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.219 384 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.219 384 G C 1.510 176.344 174.900 -0.108 0.000 1.127 384 G CA 0.386 45.417 45.100 -0.116 0.000 0.766 384 G HN 0.686 nan 8.290 nan 0.000 0.552 385 I N -0.318 120.208 120.570 -0.073 0.000 2.406 385 I HA -0.025 4.144 4.170 -0.001 0.000 0.249 385 I C 2.751 178.863 176.117 -0.009 0.000 1.122 385 I CA 0.832 62.111 61.300 -0.035 0.000 1.431 385 I CB -0.024 37.970 38.000 -0.010 0.000 1.087 385 I HN 0.061 nan 8.210 nan 0.000 0.424 386 K N 0.564 120.941 120.400 -0.039 0.000 2.057 386 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 386 K C 1.890 178.463 176.600 -0.045 0.000 1.050 386 K CA 1.276 57.539 56.287 -0.040 0.000 0.935 386 K CB -0.085 32.358 32.500 -0.095 0.000 0.715 386 K HN 0.233 nan 8.250 nan 0.000 0.439 387 N N 0.690 119.323 118.700 -0.112 0.000 2.084 387 N HA -0.178 4.562 4.740 -0.001 0.000 0.190 387 N C 1.683 177.297 175.510 0.173 0.000 1.030 387 N CA 0.952 53.949 53.050 -0.088 0.000 0.849 387 N CB -0.227 38.175 38.487 -0.141 0.000 1.012 387 N HN 0.146 nan 8.380 nan 0.000 0.423 388 R N 1.279 121.813 120.500 0.056 0.000 2.070 388 R HA -0.113 4.227 4.340 -0.001 0.000 0.233 388 R C 0.691 177.150 176.300 0.266 0.000 1.137 388 R CA 1.591 57.747 56.100 0.094 0.000 0.945 388 R CB -0.351 29.888 30.300 -0.100 0.000 0.845 388 R HN 0.148 nan 8.270 nan 0.000 0.430 389 D N -0.526 119.999 120.400 0.209 0.000 2.178 389 D HA -0.077 4.562 4.640 -0.001 0.000 0.202 389 D C 1.738 178.194 176.300 0.260 0.000 0.974 389 D CA 1.353 55.496 54.000 0.239 0.000 0.841 389 D CB -0.542 40.369 40.800 0.185 0.000 0.953 389 D HN 0.515 nan 8.370 nan 0.000 0.478 390 G N 0.906 109.868 108.800 0.270 0.000 2.446 390 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 390 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 390 G C 1.540 176.627 174.900 0.311 0.000 1.168 390 G CA 0.291 45.603 45.100 0.354 0.000 0.771 390 G HN 0.176 nan 8.290 nan 0.000 0.551 391 L N 1.110 122.545 121.223 0.354 0.000 2.046 391 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 391 L C 2.356 179.309 176.870 0.138 0.000 1.077 391 L CA 1.900 56.847 54.840 0.179 0.000 0.747 391 L CB -0.808 41.430 42.059 0.298 0.000 0.896 391 L HN 0.206 nan 8.230 nan 0.000 0.432 392 D N -0.469 120.071 120.400 0.233 0.000 2.104 392 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 392 D C 1.656 178.048 176.300 0.154 0.000 0.994 392 D CA 1.396 55.523 54.000 0.212 0.000 0.830 392 D CB 0.060 41.034 40.800 0.290 0.000 0.959 392 D HN 0.312 nan 8.370 nan 0.000 0.452 393 D N -0.288 120.214 120.400 0.170 0.000 2.144 393 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 393 D C 2.312 178.619 176.300 0.012 0.000 0.984 393 D CA 0.385 54.492 54.000 0.178 0.000 0.834 393 D CB -0.197 40.810 40.800 0.345 0.000 0.955 393 D HN 0.370 nan 8.370 nan 0.000 0.465 394 I N 0.372 120.814 120.570 -0.214 0.000 2.179 394 I HA -0.236 3.934 4.170 -0.001 0.000 0.242 394 I C 2.413 178.400 176.117 -0.216 0.000 1.088 394 I CA 0.639 61.728 61.300 -0.352 0.000 1.357 394 I CB -0.093 37.694 38.000 -0.354 0.000 1.051 394 I HN -0.120 nan 8.210 nan 0.000 0.409 395 V N 0.797 120.643 119.914 -0.114 0.000 2.295 395 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 395 V C 2.538 178.538 176.094 -0.156 0.000 1.049 395 V CA 2.214 64.458 62.300 -0.093 0.000 1.024 395 V CB -1.544 30.304 31.823 0.042 0.000 0.648 395 V HN 0.582 nan 8.190 nan 0.000 0.447 396 G N -0.355 108.419 108.800 -0.043 0.000 2.402 396 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 396 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 396 G C 1.236 176.074 174.900 -0.104 0.000 1.162 396 G CA 0.962 46.052 45.100 -0.015 0.000 0.777 396 G HN 0.503 nan 8.290 nan 0.000 0.539 397 D N -0.241 120.096 120.400 -0.105 0.000 2.117 397 D HA -0.077 4.562 4.640 -0.001 0.000 0.198 397 D C 2.077 178.051 176.300 -0.544 0.000 0.982 397 D CA 1.276 55.183 54.000 -0.156 0.000 0.828 397 D CB -0.404 40.460 40.800 0.106 0.000 0.967 397 D HN 0.458 nan 8.370 nan 0.000 0.464 398 H N 0.631 119.090 119.070 -1.018 0.000 2.395 398 H HA 0.080 4.635 4.556 -0.001 0.000 0.299 398 H C 1.461 176.402 175.328 -0.645 0.000 1.070 398 H CA 1.476 56.788 56.048 -1.227 0.000 1.356 398 H CB 0.125 28.939 29.762 -1.579 0.000 1.401 398 H HN -0.031 nan 8.280 nan 0.000 0.524 399 N N -0.704 117.514 118.700 -0.804 0.000 2.405 399 N HA 0.013 4.753 4.740 -0.001 0.000 0.175 399 N C 0.974 176.212 175.510 -0.453 0.000 1.051 399 N CA 0.986 53.526 53.050 -0.850 0.000 0.899 399 N CB 1.209 38.767 38.487 -1.549 0.000 1.000 399 N HN 0.269 nan 8.380 nan 0.000 0.451 400 V N 0.231 119.965 119.914 -0.301 0.000 3.278 400 V HA 0.154 4.274 4.120 -0.001 0.000 0.215 400 V C 1.989 178.055 176.094 -0.047 0.000 1.287 400 V CA -0.030 62.227 62.300 -0.072 0.000 1.302 400 V CB 0.142 31.993 31.823 0.048 0.000 1.228 400 V HN -0.081 nan 8.190 nan 0.000 0.523 401 I N 0.619 121.174 120.570 -0.026 0.000 2.113 401 I HA -0.265 3.905 4.170 -0.001 0.000 0.238 401 I C 2.546 178.673 176.117 0.017 0.000 1.070 401 I CA 1.930 63.244 61.300 0.023 0.000 1.332 401 I CB -0.481 37.572 38.000 0.089 0.000 1.044 401 I HN 0.371 nan 8.210 nan 0.000 0.402 402 c N 0.594 119.195 118.600 0.002 0.000 2.440 402 c HA -0.041 4.529 4.570 -0.001 0.000 0.278 402 c C 0.230 174.343 174.090 0.039 0.000 1.295 402 c CA 0.662 57.032 56.329 0.068 0.000 1.738 402 c CB -1.852 40.747 42.510 0.149 0.000 1.987 402 c HN 0.361 nan 8.230 nan 0.000 0.492 403 P HA -0.081 nan 4.420 nan 0.000 0.217 403 P C 1.746 179.068 177.300 0.036 0.000 1.151 403 P CA 1.027 64.096 63.100 -0.053 0.000 0.828 403 P CB -0.173 31.407 31.700 -0.200 0.000 0.788 404 L N -1.830 119.396 121.223 0.005 0.000 2.093 404 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 404 L C 2.039 178.952 176.870 0.073 0.000 1.085 404 L CA 1.562 56.421 54.840 0.032 0.000 0.755 404 L CB -0.487 41.562 42.059 -0.016 0.000 0.904 404 L HN -0.100 nan 8.230 nan 0.000 0.435 405 M N -1.115 118.523 119.600 0.062 0.000 2.229 405 M HA -0.201 4.278 4.480 -0.001 0.000 0.264 405 M C 2.229 178.602 176.300 0.121 0.000 1.063 405 M CA 1.581 56.917 55.300 0.060 0.000 1.114 405 M CB -1.488 31.165 32.600 0.088 0.000 1.387 405 M HN 0.428 nan 8.290 nan 0.000 0.420 406 H N -0.164 118.945 119.070 0.064 0.000 2.357 406 H HA -0.159 4.397 4.556 -0.001 0.000 0.301 406 H C 1.825 177.197 175.328 0.074 0.000 1.082 406 H CA 1.833 57.925 56.048 0.073 0.000 1.342 406 H CB -0.283 29.520 29.762 0.069 0.000 1.389 406 H HN 0.227 nan 8.280 nan 0.000 0.511 407 F N 0.051 119.983 119.950 -0.031 0.000 2.102 407 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 407 F C 2.435 178.157 175.800 -0.131 0.000 1.105 407 F CA 1.484 59.410 58.000 -0.123 0.000 1.239 407 F CB -0.915 38.015 39.000 -0.117 0.000 0.991 407 F HN 0.141 nan 8.300 nan 0.000 0.474 408 V N 1.058 120.876 119.914 -0.160 0.000 2.427 408 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 408 V C 2.156 178.094 176.094 -0.260 0.000 1.051 408 V CA 2.431 64.529 62.300 -0.337 0.000 1.048 408 V CB -0.626 30.948 31.823 -0.414 0.000 0.666 408 V HN 0.421 nan 8.190 nan 0.000 0.456 409 N N -0.029 118.605 118.700 -0.110 0.000 2.244 409 N HA -0.099 4.641 4.740 -0.001 0.000 0.183 409 N C 1.764 177.243 175.510 -0.051 0.000 1.016 409 N CA 1.053 54.128 53.050 0.041 0.000 0.866 409 N CB -0.189 38.359 38.487 0.102 0.000 0.980 409 N HN 0.458 nan 8.380 nan 0.000 0.430 410 K N 0.128 120.414 120.400 -0.191 0.000 2.167 410 K HA -0.069 4.251 4.320 -0.001 0.000 0.203 410 K C 1.845 178.420 176.600 -0.042 0.000 1.052 410 K CA 0.400 56.611 56.287 -0.127 0.000 0.956 410 K CB -0.443 31.923 32.500 -0.223 0.000 0.735 410 K HN 0.262 nan 8.250 nan 0.000 0.451 411 Y N 2.361 122.411 120.300 -0.417 0.000 2.133 411 Y HA -0.200 4.349 4.550 -0.001 0.000 0.287 411 Y C 2.294 178.179 175.900 -0.024 0.000 1.134 411 Y CA 1.838 59.688 58.100 -0.416 0.000 1.133 411 Y CB -0.415 37.516 38.460 -0.882 0.000 0.987 411 Y HN -0.016 nan 8.280 nan 0.000 0.502 412 T N 0.629 115.218 114.554 0.057 0.000 2.778 412 T HA -0.271 4.078 4.350 -0.001 0.000 0.269 412 T C 1.841 176.543 174.700 0.003 0.000 1.050 412 T CA 1.821 63.985 62.100 0.107 0.000 1.137 412 T CB -0.321 68.699 68.868 0.253 0.000 0.860 412 T HN 0.319 nan 8.240 nan 0.000 0.468 413 K N -0.056 120.316 120.400 -0.047 0.000 2.152 413 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 413 K C 1.195 177.551 176.600 -0.407 0.000 1.048 413 K CA 1.455 57.599 56.287 -0.238 0.000 0.933 413 K CB -0.135 32.172 32.500 -0.321 0.000 0.721 413 K HN 0.374 nan 8.250 nan 0.000 0.447 414 F N -0.342 119.545 119.950 -0.107 0.000 2.724 414 F HA 0.300 4.826 4.527 -0.001 0.000 0.306 414 F C 1.352 177.031 175.800 -0.203 0.000 1.100 414 F CA -0.214 57.687 58.000 -0.166 0.000 1.255 414 F CB 0.395 39.238 39.000 -0.261 0.000 1.072 414 F HN -0.001 nan 8.300 nan 0.000 0.589 415 G N -0.207 108.521 108.800 -0.120 0.000 2.588 415 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.278 415 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.278 415 G C 0.363 175.308 174.900 0.075 0.000 1.307 415 G CA -0.364 44.682 45.100 -0.090 0.000 1.016 415 G HN 0.256 nan 8.290 nan 0.000 0.503 416 N N -0.749 118.051 118.700 0.167 0.000 2.204 416 N HA 0.271 5.010 4.740 -0.001 0.000 0.219 416 N C 0.304 175.896 175.510 0.137 0.000 1.151 416 N CA 0.456 53.581 53.050 0.125 0.000 0.867 416 N CB 0.456 39.012 38.487 0.115 0.000 1.043 416 N HN 0.833 nan 8.380 nan 0.000 0.516 417 G N 0.430 109.331 108.800 0.169 0.000 2.220 417 G HA2 0.030 3.990 3.960 -0.001 0.000 0.232 417 G HA3 0.030 3.990 3.960 -0.001 0.000 0.232 417 G C -1.318 173.641 174.900 0.099 0.000 1.680 417 G CA -0.731 44.431 45.100 0.102 0.000 0.922 417 G HN 0.003 nan 8.290 nan 0.000 0.723 418 T N 1.623 116.123 114.554 -0.090 0.000 2.824 418 T HA 0.678 5.028 4.350 -0.001 0.000 0.282 418 T C -1.251 173.230 174.700 -0.364 0.000 0.993 418 T CA -0.342 61.698 62.100 -0.100 0.000 0.967 418 T CB 1.303 70.176 68.868 0.009 0.000 0.960 418 T HN 0.423 nan 8.240 nan 0.000 0.441 419 Y N 2.063 122.270 120.300 -0.155 0.000 2.338 419 Y HA 0.631 5.181 4.550 -0.001 0.000 0.333 419 Y C -0.496 175.462 175.900 0.097 0.000 0.968 419 Y CA -1.188 56.797 58.100 -0.192 0.000 1.123 419 Y CB 1.473 39.362 38.460 -0.952 0.000 1.165 419 Y HN 0.442 nan 8.280 nan 0.000 0.452 420 L N 5.954 127.517 121.223 0.568 0.000 2.317 420 L HA 0.628 4.968 4.340 -0.001 0.000 0.281 420 L C -1.165 176.125 176.870 0.700 0.000 1.024 420 L CA -1.045 54.057 54.840 0.438 0.000 0.810 420 L CB 0.598 42.788 42.059 0.219 0.000 1.240 420 L HN 0.534 nan 8.230 nan 0.000 0.427 421 Y N 3.088 123.672 120.300 0.472 0.000 2.602 421 Y HA 0.744 5.293 4.550 -0.001 0.000 0.342 421 Y C -1.735 174.419 175.900 0.424 0.000 1.029 421 Y CA -2.133 56.193 58.100 0.377 0.000 1.080 421 Y CB 1.278 39.901 38.460 0.271 0.000 1.284 421 Y HN 0.528 nan 8.280 nan 0.000 0.485 422 F N 3.512 123.823 119.950 0.601 0.000 2.659 422 F HA 0.466 4.992 4.527 -0.001 0.000 0.342 422 F C -1.979 174.141 175.800 0.534 0.000 1.168 422 F CA -1.651 56.620 58.000 0.451 0.000 1.003 422 F CB 0.836 40.063 39.000 0.378 0.000 1.267 422 F HN 0.565 nan 8.300 nan 0.000 0.463 423 F N 8.139 128.199 119.950 0.184 0.000 2.413 423 F HA 0.320 4.846 4.527 -0.001 0.000 0.359 423 F C 0.070 175.776 175.800 -0.157 0.000 1.122 423 F CA -0.318 57.718 58.000 0.060 0.000 1.160 423 F CB 0.504 39.586 39.000 0.137 0.000 1.146 423 F HN 0.530 nan 8.300 nan 0.000 0.514 424 N N 3.623 122.003 118.700 -0.534 0.000 2.571 424 N HA 0.096 4.836 4.740 -0.001 0.000 0.298 424 N C -1.356 173.924 175.510 -0.382 0.000 1.671 424 N CA -0.521 52.305 53.050 -0.373 0.000 0.900 424 N CB -0.546 37.910 38.487 -0.051 0.000 1.365 424 N HN 0.624 nan 8.380 nan 0.000 0.493 425 H N 0.283 118.842 119.070 -0.852 0.000 2.476 425 H HA 0.461 5.016 4.556 -0.001 0.000 0.328 425 H C -0.549 174.637 175.328 -0.237 0.000 1.073 425 H CA -0.675 55.065 56.048 -0.513 0.000 1.229 425 H CB 1.137 30.511 29.762 -0.648 0.000 1.432 425 H HN 0.171 nan 8.280 nan 0.000 0.477 426 R N 4.116 124.208 120.500 -0.679 0.000 2.234 426 R HA 0.517 4.857 4.340 -0.001 0.000 0.324 426 R C -0.504 175.550 176.300 -0.410 0.000 1.054 426 R CA -0.521 55.373 56.100 -0.342 0.000 0.912 426 R CB 0.318 30.504 30.300 -0.190 0.000 1.030 426 R HN 0.806 nan 8.270 nan 0.000 0.455 427 A N 3.121 125.985 122.820 0.073 0.000 2.565 427 A HA -0.007 4.312 4.320 -0.001 0.000 0.237 427 A C 1.295 178.972 177.584 0.154 0.000 1.053 427 A CA 0.547 52.796 52.037 0.353 0.000 0.755 427 A CB 0.276 19.621 19.000 0.576 0.000 0.980 427 A HN 1.030 nan 8.150 nan 0.000 0.506 428 S N 1.462 117.288 115.700 0.211 0.000 2.447 428 S HA -0.158 4.311 4.470 -0.001 0.000 0.233 428 S C 0.896 175.492 174.600 -0.006 0.000 1.006 428 S CA 1.109 59.361 58.200 0.087 0.000 0.957 428 S CB -0.438 62.835 63.200 0.121 0.000 0.773 428 S HN 0.926 nan 8.310 nan 0.000 0.507 429 N N 0.884 119.538 118.700 -0.076 0.000 2.251 429 N HA 0.228 4.968 4.740 -0.001 0.000 0.217 429 N C -0.090 175.352 175.510 -0.114 0.000 1.124 429 N CA -0.352 52.604 53.050 -0.157 0.000 0.843 429 N CB -0.618 37.664 38.487 -0.342 0.000 1.024 429 N HN 0.395 nan 8.380 nan 0.000 0.501 430 L N 1.337 122.534 121.223 -0.043 0.000 2.540 430 L HA -0.029 4.311 4.340 -0.001 0.000 0.276 430 L C 1.483 178.304 176.870 -0.083 0.000 1.212 430 L CA -0.243 54.575 54.840 -0.037 0.000 0.893 430 L CB 0.940 42.980 42.059 -0.033 0.000 1.138 430 L HN 0.155 nan 8.230 nan 0.000 0.491 431 V N 0.102 119.927 119.914 -0.148 0.000 3.235 431 V HA 0.010 4.130 4.120 -0.001 0.000 0.259 431 V C 0.609 176.622 176.094 -0.135 0.000 1.133 431 V CA -0.370 61.810 62.300 -0.199 0.000 1.128 431 V CB -0.802 30.778 31.823 -0.403 0.000 0.757 431 V HN 0.602 nan 8.190 nan 0.000 0.469 432 W N 2.111 123.380 121.300 -0.052 0.000 2.150 432 W HA 0.485 5.145 4.660 -0.001 0.000 0.341 432 W C -1.656 174.726 176.519 -0.228 0.000 1.276 432 W CA -1.956 55.305 57.345 -0.141 0.000 1.238 432 W CB -0.157 29.101 29.460 -0.337 0.000 1.128 432 W HN 0.030 nan 8.180 nan 0.000 0.581 433 P HA -0.057 nan 4.420 nan 0.000 0.270 433 P C 0.432 177.619 177.300 -0.189 0.000 1.223 433 P CA 0.254 63.292 63.100 -0.102 0.000 0.785 433 P CB 0.993 32.661 31.700 -0.053 0.000 0.923 434 E N 1.346 121.511 120.200 -0.059 0.000 2.097 434 E HA -0.169 4.180 4.350 -0.001 0.000 0.196 434 E C 1.864 178.463 176.600 -0.002 0.000 1.000 434 E CA 1.526 57.914 56.400 -0.020 0.000 0.804 434 E CB -0.647 29.085 29.700 0.053 0.000 0.740 434 E HN 0.723 nan 8.360 nan 0.000 0.454 435 W N 0.203 121.526 121.300 0.038 0.000 2.424 435 W HA -0.088 4.572 4.660 -0.001 0.000 0.264 435 W C 1.434 177.987 176.519 0.056 0.000 1.229 435 W CA 0.474 57.851 57.345 0.054 0.000 1.208 435 W CB -0.852 28.649 29.460 0.068 0.000 1.127 435 W HN 0.002 nan 8.180 nan 0.000 0.588 436 M N 1.298 120.506 119.600 -0.654 0.000 2.562 436 M HA 0.127 4.607 4.480 -0.001 0.000 0.257 436 M C 1.764 177.923 176.300 -0.235 0.000 1.099 436 M CA 1.522 56.425 55.300 -0.662 0.000 1.099 436 M CB -0.625 31.399 32.600 -0.959 0.000 1.427 436 M HN 0.166 nan 8.290 nan 0.000 0.489 437 G N 0.483 109.211 108.800 -0.120 0.000 2.574 437 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.286 437 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.286 437 G C -0.205 174.673 174.900 -0.037 0.000 1.212 437 G CA -0.260 44.822 45.100 -0.031 0.000 0.979 437 G HN 0.190 nan 8.290 nan 0.000 0.557 438 V N 1.965 121.891 119.914 0.021 0.000 2.299 438 V HA 0.401 4.520 4.120 -0.001 0.000 0.255 438 V C 1.048 177.232 176.094 0.150 0.000 1.100 438 V CA -0.111 62.240 62.300 0.084 0.000 0.938 438 V CB 0.101 31.963 31.823 0.065 0.000 1.139 438 V HN 0.538 nan 8.190 nan 0.000 0.490 439 I N 3.045 123.690 120.570 0.125 0.000 2.836 439 I HA 0.094 4.264 4.170 -0.001 0.000 0.285 439 I C 0.968 177.327 176.117 0.403 0.000 1.174 439 I CA -0.339 61.064 61.300 0.172 0.000 1.405 439 I CB 0.137 38.105 38.000 -0.053 0.000 1.385 439 I HN 0.577 nan 8.210 nan 0.000 0.594 440 H N 4.084 123.320 119.070 0.277 0.000 3.094 440 H HA 0.158 4.714 4.556 -0.001 0.000 0.320 440 H C 1.030 176.489 175.328 0.218 0.000 1.000 440 H CA 1.051 57.247 56.048 0.246 0.000 1.413 440 H CB 0.245 30.147 29.762 0.234 0.000 1.405 440 H HN 0.749 nan 8.280 nan 0.000 0.586 441 G N 3.462 112.145 108.800 -0.195 0.000 2.217 441 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.246 441 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.246 441 G C 0.603 175.465 174.900 -0.062 0.000 0.990 441 G CA 0.449 45.403 45.100 -0.244 0.000 0.627 441 G HN 0.638 nan 8.290 nan 0.000 0.522 442 Y N 1.548 121.977 120.300 0.214 0.000 2.470 442 Y HA 0.258 4.808 4.550 -0.001 0.000 0.284 442 Y C 2.270 178.316 175.900 0.244 0.000 1.188 442 Y CA 0.899 59.193 58.100 0.323 0.000 1.269 442 Y CB 0.421 39.112 38.460 0.385 0.000 1.094 442 Y HN 0.519 nan 8.280 nan 0.000 0.518 443 E N -0.116 120.050 120.200 -0.057 0.000 2.415 443 E HA -0.036 4.314 4.350 -0.001 0.000 0.197 443 E C 1.614 178.138 176.600 -0.126 0.000 1.007 443 E CA 0.551 56.573 56.400 -0.630 0.000 0.890 443 E CB -0.399 28.594 29.700 -1.178 0.000 0.891 443 E HN 0.515 nan 8.360 nan 0.000 0.496 444 I N 2.812 123.404 120.570 0.037 0.000 2.163 444 I HA -0.319 3.851 4.170 -0.001 0.000 0.243 444 I C 2.667 178.844 176.117 0.101 0.000 1.085 444 I CA 2.180 63.563 61.300 0.139 0.000 1.347 444 I CB -0.510 37.629 38.000 0.231 0.000 1.044 444 I HN 0.209 nan 8.210 nan 0.000 0.408 445 E N 0.946 121.153 120.200 0.011 0.000 2.160 445 E HA -0.247 4.103 4.350 -0.001 0.000 0.195 445 E C 2.023 178.479 176.600 -0.240 0.000 0.991 445 E CA 1.576 57.902 56.400 -0.123 0.000 0.810 445 E CB -0.560 29.052 29.700 -0.145 0.000 0.742 445 E HN 0.457 nan 8.360 nan 0.000 0.466 446 F N 0.949 120.819 119.950 -0.134 0.000 2.293 446 F HA -0.017 4.510 4.527 -0.001 0.000 0.297 446 F C 2.322 177.956 175.800 -0.278 0.000 1.089 446 F CA 0.476 58.355 58.000 -0.202 0.000 1.377 446 F CB -0.012 38.910 39.000 -0.130 0.000 1.051 446 F HN -0.126 nan 8.300 nan 0.000 0.511 447 V N -0.972 118.867 119.914 -0.125 0.000 2.379 447 V HA -0.256 3.863 4.120 -0.001 0.000 0.245 447 V C 1.680 177.597 176.094 -0.294 0.000 1.044 447 V CA 1.598 63.682 62.300 -0.361 0.000 1.036 447 V CB -0.574 31.061 31.823 -0.313 0.000 0.664 447 V HN 0.187 nan 8.190 nan 0.000 0.453 448 F N 0.645 120.477 119.950 -0.196 0.000 2.804 448 F HA 0.360 4.886 4.527 -0.001 0.000 0.303 448 F C 1.831 177.564 175.800 -0.111 0.000 1.154 448 F CA 0.743 58.655 58.000 -0.147 0.000 1.401 448 F CB -0.399 38.492 39.000 -0.180 0.000 1.106 448 F HN 0.277 nan 8.300 nan 0.000 0.568 449 G N -0.156 108.586 108.800 -0.096 0.000 2.148 449 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.254 449 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.254 449 G C 1.172 175.780 174.900 -0.487 0.000 0.981 449 G CA 0.371 45.339 45.100 -0.220 0.000 0.670 449 G HN 0.264 nan 8.290 nan 0.000 0.528 450 L N -0.024 120.891 121.223 -0.513 0.000 2.129 450 L HA -0.096 4.243 4.340 -0.001 0.000 0.212 450 L C 0.254 176.748 176.870 -0.628 0.000 1.087 450 L CA 2.628 57.115 54.840 -0.587 0.000 0.757 450 L CB -1.981 39.865 42.059 -0.355 0.000 0.896 450 L HN 0.229 nan 8.230 nan 0.000 0.434 451 P HA -0.100 nan 4.420 nan 0.000 0.228 451 P C 1.732 178.812 177.300 -0.368 0.000 1.151 451 P CA 0.847 63.404 63.100 -0.906 0.000 0.770 451 P CB 0.047 31.130 31.700 -1.028 0.000 0.786 452 L N -1.605 119.405 121.223 -0.355 0.000 2.599 452 L HA 0.083 4.422 4.340 -0.001 0.000 0.230 452 L C 0.957 177.721 176.870 -0.177 0.000 1.141 452 L CA 0.147 54.861 54.840 -0.210 0.000 0.877 452 L CB -0.387 41.579 42.059 -0.155 0.000 1.009 452 L HN -0.106 nan 8.230 nan 0.000 0.447 453 V N -1.202 118.578 119.914 -0.223 0.000 2.294 453 V HA 0.202 4.322 4.120 -0.001 0.000 0.272 453 V C 1.234 177.298 176.094 -0.051 0.000 1.027 453 V CA -0.679 61.542 62.300 -0.133 0.000 0.823 453 V CB 1.158 32.878 31.823 -0.172 0.000 1.030 453 V HN 0.226 nan 8.190 nan 0.000 0.457 454 K N 3.237 123.620 120.400 -0.029 0.000 2.097 454 K HA -0.214 4.106 4.320 -0.001 0.000 0.214 454 K C 1.782 178.374 176.600 -0.013 0.000 1.052 454 K CA 2.321 58.602 56.287 -0.009 0.000 0.932 454 K CB -0.068 32.425 32.500 -0.011 0.000 0.716 454 K HN 0.944 nan 8.250 nan 0.000 0.455 455 E N 1.140 121.326 120.200 -0.023 0.000 2.331 455 E HA -0.187 4.162 4.350 -0.001 0.000 0.199 455 E C 1.771 178.342 176.600 -0.047 0.000 1.008 455 E CA 0.934 57.314 56.400 -0.033 0.000 0.843 455 E CB -0.460 29.221 29.700 -0.033 0.000 0.761 455 E HN 0.435 nan 8.360 nan 0.000 0.507 456 L N 0.440 121.644 121.223 -0.032 0.000 2.554 456 L HA 0.022 4.361 4.340 -0.001 0.000 0.226 456 L C -0.164 176.612 176.870 -0.156 0.000 1.137 456 L CA 0.073 54.878 54.840 -0.058 0.000 0.863 456 L CB -0.484 41.606 42.059 0.052 0.000 0.985 456 L HN 0.009 nan 8.230 nan 0.000 0.451 457 N N -1.391 117.257 118.700 -0.087 0.000 2.815 457 N HA -0.208 4.532 4.740 -0.001 0.000 0.248 457 N C -0.751 174.664 175.510 -0.159 0.000 1.110 457 N CA 0.790 53.766 53.050 -0.124 0.000 0.699 457 N CB -1.822 36.562 38.487 -0.172 0.000 1.040 457 N HN 0.279 nan 8.380 nan 0.000 0.555 458 Y N 0.210 120.483 120.300 -0.046 0.000 2.458 458 Y HA 0.453 5.003 4.550 -0.001 0.000 0.322 458 Y C 1.785 177.690 175.900 0.008 0.000 1.259 458 Y CA -0.227 57.865 58.100 -0.013 0.000 1.302 458 Y CB 0.668 39.099 38.460 -0.049 0.000 1.314 458 Y HN 0.090 nan 8.280 nan 0.000 0.509 459 T N -1.963 112.723 114.554 0.220 0.000 2.816 459 T HA 0.411 4.761 4.350 -0.001 0.000 0.282 459 T C 1.194 175.957 174.700 0.105 0.000 0.993 459 T CA -0.214 61.964 62.100 0.130 0.000 0.994 459 T CB 1.100 70.041 68.868 0.122 0.000 1.025 459 T HN 0.761 nan 8.240 nan 0.000 0.529 460 A N 0.971 123.827 122.820 0.061 0.000 1.933 460 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 460 A C 2.299 179.898 177.584 0.025 0.000 1.175 460 A CA 1.346 53.403 52.037 0.034 0.000 0.628 460 A CB -0.752 18.260 19.000 0.021 0.000 0.814 460 A HN 0.936 nan 8.150 nan 0.000 0.444 461 E N 0.581 120.799 120.200 0.029 0.000 2.274 461 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 461 E C 1.392 177.989 176.600 -0.005 0.000 0.996 461 E CA 1.159 57.558 56.400 -0.001 0.000 0.840 461 E CB -0.544 29.148 29.700 -0.014 0.000 0.772 461 E HN 0.786 nan 8.360 nan 0.000 0.491 462 E N 1.092 121.333 120.200 0.067 0.000 2.107 462 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 462 E C 2.052 178.715 176.600 0.105 0.000 0.982 462 E CA 0.875 57.379 56.400 0.173 0.000 0.809 462 E CB -0.004 29.922 29.700 0.377 0.000 0.756 462 E HN 0.410 nan 8.360 nan 0.000 0.459 463 E N 0.864 121.072 120.200 0.012 0.000 2.106 463 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 463 E C 1.963 178.539 176.600 -0.039 0.000 0.984 463 E CA 0.962 57.326 56.400 -0.061 0.000 0.806 463 E CB -0.013 29.657 29.700 -0.050 0.000 0.750 463 E HN 0.198 nan 8.360 nan 0.000 0.458 464 A N 1.063 123.869 122.820 -0.023 0.000 1.930 464 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 464 A C 2.109 179.666 177.584 -0.045 0.000 1.175 464 A CA 1.090 53.103 52.037 -0.039 0.000 0.627 464 A CB -0.563 18.415 19.000 -0.037 0.000 0.815 464 A HN 0.395 nan 8.150 nan 0.000 0.443 465 L N 0.003 121.211 121.223 -0.026 0.000 2.017 465 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 465 L C 2.531 179.412 176.870 0.020 0.000 1.073 465 L CA 2.677 57.491 54.840 -0.043 0.000 0.745 465 L CB -1.048 40.933 42.059 -0.129 0.000 0.894 465 L HN 0.340 nan 8.230 nan 0.000 0.432 466 S N -0.759 115.025 115.700 0.140 0.000 2.383 466 S HA -0.208 4.261 4.470 -0.001 0.000 0.229 466 S C 2.176 176.741 174.600 -0.059 0.000 1.030 466 S CA 1.396 59.650 58.200 0.089 0.000 1.002 466 S CB -0.225 62.952 63.200 -0.038 0.000 0.829 466 S HN 0.570 nan 8.310 nan 0.000 0.467 467 R N 0.177 120.634 120.500 -0.070 0.000 2.090 467 R HA 0.088 4.428 4.340 -0.001 0.000 0.228 467 R C 2.719 178.958 176.300 -0.102 0.000 1.110 467 R CA 1.215 57.264 56.100 -0.084 0.000 0.973 467 R CB -0.267 29.982 30.300 -0.084 0.000 0.869 467 R HN 0.374 nan 8.270 nan 0.000 0.440 468 R N 0.921 121.334 120.500 -0.144 0.000 2.092 468 R HA -0.064 4.276 4.340 -0.001 0.000 0.231 468 R C 2.035 178.122 176.300 -0.356 0.000 1.119 468 R CA 1.238 57.168 56.100 -0.284 0.000 0.970 468 R CB -0.103 30.037 30.300 -0.268 0.000 0.864 468 R HN 0.161 nan 8.270 nan 0.000 0.440 469 I N 0.329 120.788 120.570 -0.185 0.000 2.202 469 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 469 I C 2.442 178.445 176.117 -0.190 0.000 1.091 469 I CA 1.249 62.446 61.300 -0.171 0.000 1.368 469 I CB -0.128 37.651 38.000 -0.367 0.000 1.058 469 I HN 0.242 nan 8.210 nan 0.000 0.410 470 M N -0.519 118.963 119.600 -0.197 0.000 2.144 470 M HA -0.290 4.190 4.480 -0.001 0.000 0.260 470 M C 2.373 178.700 176.300 0.045 0.000 1.067 470 M CA 1.833 57.058 55.300 -0.124 0.000 1.095 470 M CB -0.673 31.869 32.600 -0.097 0.000 1.365 470 M HN 0.298 nan 8.290 nan 0.000 0.406 471 H N -0.736 118.306 119.070 -0.047 0.000 2.436 471 H HA -0.101 4.454 4.556 -0.001 0.000 0.294 471 H C 1.458 176.889 175.328 0.171 0.000 1.048 471 H CA 1.639 57.689 56.048 0.004 0.000 1.353 471 H CB 0.123 29.838 29.762 -0.077 0.000 1.414 471 H HN 0.277 nan 8.280 nan 0.000 0.536 472 Y N -0.998 119.420 120.300 0.196 0.000 2.163 472 Y HA -0.202 4.348 4.550 -0.001 0.000 0.288 472 Y C 2.428 178.518 175.900 0.315 0.000 1.136 472 Y CA 0.894 59.159 58.100 0.276 0.000 1.147 472 Y CB -1.009 37.818 38.460 0.611 0.000 0.987 472 Y HN 0.344 nan 8.280 nan 0.000 0.509 473 W N -0.401 120.994 121.300 0.158 0.000 2.335 473 W HA -0.239 4.421 4.660 -0.001 0.000 0.311 473 W C 2.553 179.061 176.519 -0.019 0.000 1.213 473 W CA 1.110 58.478 57.345 0.039 0.000 1.274 473 W CB -0.428 28.993 29.460 -0.065 0.000 1.148 473 W HN 0.051 nan 8.180 nan 0.000 0.498 474 A N -0.177 122.739 122.820 0.159 0.000 1.929 474 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 474 A C 1.792 179.344 177.584 -0.053 0.000 1.176 474 A CA 2.026 54.069 52.037 0.010 0.000 0.628 474 A CB -1.131 17.862 19.000 -0.011 0.000 0.816 474 A HN 0.187 nan 8.150 nan 0.000 0.444 475 T N -0.693 113.786 114.554 -0.126 0.000 2.867 475 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 475 T C 1.567 176.207 174.700 -0.099 0.000 1.057 475 T CA 1.462 63.461 62.100 -0.168 0.000 1.136 475 T CB -0.359 68.356 68.868 -0.256 0.000 0.874 475 T HN 0.528 nan 8.240 nan 0.000 0.466 476 F N 2.249 122.093 119.950 -0.176 0.000 2.186 476 F HA 0.143 4.670 4.527 -0.001 0.000 0.299 476 F C 2.357 178.062 175.800 -0.158 0.000 1.090 476 F CA 0.767 58.627 58.000 -0.233 0.000 1.307 476 F CB -0.535 38.260 39.000 -0.341 0.000 1.019 476 F HN 0.126 nan 8.300 nan 0.000 0.489 477 A N 0.689 123.392 122.820 -0.194 0.000 1.933 477 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 477 A C 2.245 179.678 177.584 -0.251 0.000 1.175 477 A CA 1.781 53.664 52.037 -0.257 0.000 0.628 477 A CB -0.615 18.324 19.000 -0.102 0.000 0.814 477 A HN 0.480 nan 8.150 nan 0.000 0.444 478 K N -0.973 119.320 120.400 -0.178 0.000 2.025 478 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 478 K C 1.982 178.484 176.600 -0.164 0.000 1.049 478 K CA 1.799 58.007 56.287 -0.132 0.000 0.933 478 K CB -0.214 32.233 32.500 -0.088 0.000 0.714 478 K HN 0.676 nan 8.250 nan 0.000 0.438 479 T N -4.109 110.319 114.554 -0.210 0.000 2.985 479 T HA 0.248 4.598 4.350 -0.001 0.000 0.254 479 T C 1.270 175.826 174.700 -0.240 0.000 1.021 479 T CA 0.465 62.452 62.100 -0.187 0.000 0.957 479 T CB 0.984 69.777 68.868 -0.126 0.000 1.047 479 T HN 0.331 nan 8.240 nan 0.000 0.511 480 G N 1.393 109.915 108.800 -0.464 0.000 2.175 480 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.244 480 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.244 480 G C -0.176 174.649 174.900 -0.126 0.000 0.982 480 G CA 0.041 44.859 45.100 -0.470 0.000 0.641 480 G HN 0.865 nan 8.290 nan 0.000 0.527 481 N N -0.262 118.348 118.700 -0.149 0.000 2.425 481 N HA 0.453 5.192 4.740 -0.001 0.000 0.289 481 N C -1.813 173.543 175.510 -0.257 0.000 1.074 481 N CA -1.499 51.428 53.050 -0.205 0.000 0.905 481 N CB 2.498 40.947 38.487 -0.062 0.000 1.586 481 N HN -0.058 nan 8.380 nan 0.000 0.490 482 P HA -0.004 nan 4.420 nan 0.000 0.233 482 P C -0.499 176.818 177.300 0.027 0.000 1.167 482 P CA 0.447 63.407 63.100 -0.233 0.000 0.770 482 P CB 0.333 31.681 31.700 -0.586 0.000 0.837 483 N N 1.607 120.285 118.700 -0.037 0.000 2.529 483 N HA 0.090 4.829 4.740 -0.001 0.000 0.278 483 N C 0.300 175.858 175.510 0.081 0.000 1.146 483 N CA -0.071 53.048 53.050 0.114 0.000 0.980 483 N CB 0.919 39.469 38.487 0.104 0.000 1.124 483 N HN 0.089 nan 8.380 nan 0.000 0.458 484 E N 2.169 122.449 120.200 0.133 0.000 2.344 484 E HA 0.068 4.418 4.350 -0.001 0.000 0.270 484 E C -1.303 175.306 176.600 0.014 0.000 1.021 484 E CA -1.388 55.068 56.400 0.093 0.000 0.887 484 E CB 0.755 30.544 29.700 0.149 0.000 0.997 484 E HN 0.329 nan 8.360 nan 0.000 0.429 485 P HA -0.195 nan 4.420 nan 0.000 0.219 485 P C 0.581 177.608 177.300 -0.455 0.000 1.161 485 P CA 1.615 64.543 63.100 -0.288 0.000 0.909 485 P CB 0.194 31.695 31.700 -0.331 0.000 0.793 486 H N -2.754 116.354 119.070 0.064 0.000 2.785 486 H HA 0.269 4.824 4.556 -0.001 0.000 0.268 486 H C 0.714 176.080 175.328 0.063 0.000 1.153 486 H CA -0.286 55.797 56.048 0.058 0.000 1.111 486 H CB -0.043 29.745 29.762 0.045 0.000 1.633 486 H HN 0.094 nan 8.280 nan 0.000 0.576 487 S N 0.703 116.484 115.700 0.134 0.000 2.553 487 S HA -0.084 4.385 4.470 -0.001 0.000 0.271 487 S C 1.336 176.005 174.600 0.115 0.000 1.362 487 S CA 0.268 58.541 58.200 0.121 0.000 1.010 487 S CB 0.897 64.173 63.200 0.127 0.000 0.865 487 S HN 0.332 nan 8.310 nan 0.000 0.543 488 Q N 0.293 120.150 119.800 0.095 0.000 2.317 488 Q HA 0.261 4.600 4.340 -0.001 0.000 0.220 488 Q C -0.010 176.039 176.000 0.083 0.000 0.873 488 Q CA 0.052 55.904 55.803 0.081 0.000 0.936 488 Q CB 0.053 28.828 28.738 0.062 0.000 1.105 488 Q HN 0.640 nan 8.270 nan 0.000 0.520 489 E N 1.228 121.485 120.200 0.095 0.000 2.425 489 E HA 0.054 4.404 4.350 -0.001 0.000 0.258 489 E C -0.195 176.482 176.600 0.130 0.000 1.151 489 E CA 0.064 56.528 56.400 0.107 0.000 0.958 489 E CB 0.505 30.282 29.700 0.127 0.000 0.968 489 E HN -0.125 nan 8.360 nan 0.000 0.451 490 S N 1.270 117.051 115.700 0.134 0.000 2.549 490 S HA 0.048 4.517 4.470 -0.001 0.000 0.283 490 S C -0.098 174.622 174.600 0.199 0.000 1.320 490 S CA -0.461 57.822 58.200 0.138 0.000 1.058 490 S CB 0.284 63.550 63.200 0.109 0.000 0.882 490 S HN 0.119 nan 8.310 nan 0.000 0.498 491 K N 2.981 123.488 120.400 0.179 0.000 2.322 491 K HA 0.091 4.411 4.320 -0.001 0.000 0.283 491 K C -0.348 176.423 176.600 0.285 0.000 1.042 491 K CA -0.258 56.163 56.287 0.224 0.000 0.958 491 K CB 0.438 33.045 32.500 0.179 0.000 0.984 491 K HN 0.648 nan 8.250 nan 0.000 0.473 492 W N 7.235 128.594 121.300 0.098 0.000 2.357 492 W HA 0.209 4.869 4.660 -0.001 0.000 0.317 492 W C -2.354 174.281 176.519 0.193 0.000 1.101 492 W CA -2.724 54.673 57.345 0.086 0.000 1.380 492 W CB 0.072 29.485 29.460 -0.078 0.000 1.266 492 W HN 0.393 nan 8.180 nan 0.000 0.419 493 P HA 0.043 nan 4.420 nan 0.000 0.274 493 P C -0.534 176.950 177.300 0.306 0.000 1.237 493 P CA -0.553 62.760 63.100 0.356 0.000 0.793 493 P CB 1.533 33.361 31.700 0.213 0.000 0.977 494 L N 2.434 123.699 121.223 0.069 0.000 2.453 494 L HA 0.208 4.548 4.340 -0.001 0.000 0.272 494 L C 0.004 176.867 176.870 -0.012 0.000 1.182 494 L CA -0.351 54.350 54.840 -0.231 0.000 0.858 494 L CB -0.942 40.987 42.059 -0.215 0.000 1.120 494 L HN 0.241 nan 8.230 nan 0.000 0.474 495 F N 4.187 124.046 119.950 -0.151 0.000 2.438 495 F HA 0.483 5.010 4.527 -0.001 0.000 0.356 495 F C 0.327 176.104 175.800 -0.039 0.000 1.099 495 F CA -0.248 57.748 58.000 -0.007 0.000 1.185 495 F CB 0.618 39.643 39.000 0.042 0.000 1.115 495 F HN 0.642 nan 8.300 nan 0.000 0.526 496 T N 1.300 115.579 114.554 -0.459 0.000 2.924 496 T HA 0.271 4.621 4.350 -0.001 0.000 0.291 496 T C 0.860 175.291 174.700 -0.447 0.000 1.045 496 T CA -0.418 61.509 62.100 -0.287 0.000 1.015 496 T CB 1.487 70.251 68.868 -0.174 0.000 1.103 496 T HN 0.558 nan 8.240 nan 0.000 0.496 497 T N 0.736 115.187 114.554 -0.173 0.000 2.737 497 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 497 T C 1.732 176.340 174.700 -0.153 0.000 1.040 497 T CA 1.680 63.712 62.100 -0.113 0.000 1.142 497 T CB -0.261 68.575 68.868 -0.054 0.000 0.861 497 T HN 0.713 nan 8.240 nan 0.000 0.456 498 K N 0.674 120.985 120.400 -0.149 0.000 1.980 498 K HA -0.062 4.257 4.320 -0.001 0.000 0.208 498 K C 2.237 178.756 176.600 -0.136 0.000 1.043 498 K CA 1.168 57.387 56.287 -0.114 0.000 0.938 498 K CB 0.059 32.508 32.500 -0.084 0.000 0.724 498 K HN 0.268 nan 8.250 nan 0.000 0.438 499 E N 0.451 120.549 120.200 -0.170 0.000 2.230 499 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 499 E C 0.054 176.531 176.600 -0.206 0.000 0.987 499 E CA 0.288 56.599 56.400 -0.149 0.000 0.841 499 E CB 0.184 29.819 29.700 -0.110 0.000 0.783 499 E HN 0.346 nan 8.360 nan 0.000 0.481 500 Q N 0.888 120.406 119.800 -0.470 0.000 2.457 500 Q HA -0.190 4.149 4.340 -0.001 0.000 0.283 500 Q C -0.686 175.265 176.000 -0.082 0.000 1.234 500 Q CA 0.708 56.130 55.803 -0.635 0.000 0.877 500 Q CB -1.406 27.188 28.738 -0.240 0.000 1.250 500 Q HN 0.252 nan 8.270 nan 0.000 0.481 501 K N 0.492 120.875 120.400 -0.028 0.000 2.258 501 K HA 0.535 4.854 4.320 -0.001 0.000 0.264 501 K C 0.109 177.002 176.600 0.488 0.000 1.007 501 K CA 0.230 56.624 56.287 0.178 0.000 0.941 501 K CB 0.472 33.026 32.500 0.089 0.000 0.966 501 K HN 0.195 nan 8.250 nan 0.000 0.480 502 F N -0.667 119.445 119.950 0.271 0.000 2.745 502 F HA 0.644 5.171 4.527 -0.001 0.000 0.316 502 F C -1.092 174.827 175.800 0.198 0.000 1.155 502 F CA -1.519 56.675 58.000 0.322 0.000 0.937 502 F CB 0.770 39.972 39.000 0.337 0.000 1.361 502 F HN 0.454 nan 8.300 nan 0.000 0.472 503 I N -1.137 119.593 120.570 0.267 0.000 3.002 503 I HA 0.669 4.838 4.170 -0.001 0.000 0.310 503 I C -1.278 175.000 176.117 0.269 0.000 1.087 503 I CA -0.876 60.420 61.300 -0.007 0.000 1.017 503 I CB 2.089 39.868 38.000 -0.369 0.000 1.226 503 I HN 0.450 nan 8.210 nan 0.000 0.443 504 D N 2.580 123.106 120.400 0.209 0.000 2.294 504 D HA 0.563 5.203 4.640 -0.001 0.000 0.250 504 D C -1.012 175.373 176.300 0.143 0.000 1.058 504 D CA 0.070 54.265 54.000 0.325 0.000 0.950 504 D CB 1.997 42.975 40.800 0.296 0.000 1.158 504 D HN 0.241 nan 8.370 nan 0.000 0.453 505 L N 2.647 123.956 121.223 0.143 0.000 2.415 505 L HA 0.330 4.670 4.340 -0.001 0.000 0.268 505 L C -0.693 176.098 176.870 -0.132 0.000 0.984 505 L CA -0.512 54.355 54.840 0.046 0.000 0.853 505 L CB 0.457 42.611 42.059 0.159 0.000 1.215 505 L HN 0.542 nan 8.230 nan 0.000 0.419 506 N N -0.619 118.000 118.700 -0.135 0.000 3.339 506 N HA 0.234 4.973 4.740 -0.001 0.000 0.275 506 N C 0.418 175.808 175.510 -0.200 0.000 1.514 506 N CA -0.090 52.829 53.050 -0.219 0.000 0.879 506 N CB 0.312 38.740 38.487 -0.098 0.000 1.557 506 N HN 0.116 nan 8.380 nan 0.000 0.524 507 T N -3.433 110.973 114.554 -0.247 0.000 3.072 507 T HA 0.098 4.448 4.350 -0.001 0.000 0.266 507 T C 0.150 174.809 174.700 -0.068 0.000 1.127 507 T CA 0.801 62.787 62.100 -0.189 0.000 1.107 507 T CB -0.459 68.271 68.868 -0.230 0.000 0.910 507 T HN 0.563 nan 8.240 nan 0.000 0.513 508 E N 1.966 122.149 120.200 -0.029 0.000 2.385 508 E HA 0.388 4.737 4.350 -0.001 0.000 0.254 508 E C -2.637 173.962 176.600 -0.001 0.000 1.228 508 E CA -2.307 54.092 56.400 -0.001 0.000 0.956 508 E CB -0.031 29.682 29.700 0.021 0.000 1.116 508 E HN 0.188 nan 8.360 nan 0.000 0.507 509 P HA -0.023 nan 4.420 nan 0.000 0.271 509 P C -0.539 176.764 177.300 0.006 0.000 1.226 509 P CA 0.089 63.194 63.100 0.008 0.000 0.765 509 P CB 0.378 32.082 31.700 0.008 0.000 0.835 510 M N 3.698 123.306 119.600 0.014 0.000 2.226 510 M HA -0.072 4.408 4.480 -0.001 0.000 0.352 510 M C -0.483 175.790 176.300 -0.046 0.000 1.226 510 M CA 1.275 56.575 55.300 -0.000 0.000 0.943 510 M CB 0.011 32.630 32.600 0.032 0.000 1.805 510 M HN 0.276 nan 8.290 nan 0.000 0.465 511 K N 4.129 124.464 120.400 -0.110 0.000 2.378 511 K HA 0.549 4.868 4.320 -0.001 0.000 0.252 511 K C -1.375 174.960 176.600 -0.442 0.000 0.931 511 K CA -0.899 55.237 56.287 -0.253 0.000 0.794 511 K CB 2.517 34.839 32.500 -0.298 0.000 1.181 511 K HN 0.528 nan 8.250 nan 0.000 0.425 512 V N 3.868 123.524 119.914 -0.430 0.000 2.567 512 V HA 0.299 4.419 4.120 -0.001 0.000 0.289 512 V C 0.039 175.712 176.094 -0.702 0.000 1.049 512 V CA -0.337 61.705 62.300 -0.430 0.000 0.969 512 V CB 1.056 32.763 31.823 -0.193 0.000 0.995 512 V HN 0.721 nan 8.190 nan 0.000 0.471 513 H N 2.724 121.457 119.070 -0.560 0.000 2.949 513 H HA 0.621 5.177 4.556 -0.001 0.000 0.310 513 H C -1.113 173.908 175.328 -0.512 0.000 1.405 513 H CA -0.824 54.853 56.048 -0.618 0.000 1.253 513 H CB 2.237 31.429 29.762 -0.950 0.000 1.932 513 H HN 0.540 nan 8.280 nan 0.000 0.602 514 Q N 0.193 119.970 119.800 -0.038 0.000 2.421 514 Q HA 0.360 4.700 4.340 -0.001 0.000 0.280 514 Q C -0.720 175.487 176.000 0.344 0.000 1.085 514 Q CA -0.884 55.017 55.803 0.163 0.000 0.807 514 Q CB 2.883 31.664 28.738 0.072 0.000 1.405 514 Q HN 0.468 nan 8.270 nan 0.000 0.419 515 R N 1.027 121.741 120.500 0.357 0.000 3.146 515 R HA -0.210 4.130 4.340 -0.001 0.000 0.250 515 R C -0.556 175.901 176.300 0.261 0.000 0.912 515 R CA -0.112 56.150 56.100 0.270 0.000 0.633 515 R CB -1.455 28.942 30.300 0.161 0.000 1.180 515 R HN 0.448 nan 8.270 nan 0.000 0.464 516 L N 2.088 123.441 121.223 0.217 0.000 2.660 516 L HA -0.035 4.304 4.340 -0.001 0.000 0.272 516 L C 0.840 177.696 176.870 -0.024 0.000 1.194 516 L CA 0.810 55.564 54.840 -0.143 0.000 0.945 516 L CB -0.181 41.425 42.059 -0.755 0.000 1.212 516 L HN 0.482 nan 8.230 nan 0.000 0.490 517 R N 2.358 122.859 120.500 0.002 0.000 3.405 517 R HA -0.213 4.126 4.340 -0.001 0.000 0.258 517 R C 1.205 177.576 176.300 0.117 0.000 1.030 517 R CA 0.681 56.824 56.100 0.071 0.000 0.691 517 R CB -1.873 28.491 30.300 0.107 0.000 1.093 517 R HN 0.692 nan 8.270 nan 0.000 0.448 518 V N 0.282 120.261 119.914 0.109 0.000 2.407 518 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 518 V C 2.315 178.482 176.094 0.122 0.000 1.055 518 V CA 2.596 64.970 62.300 0.123 0.000 1.049 518 V CB -0.030 31.861 31.823 0.113 0.000 0.662 518 V HN 0.462 nan 8.190 nan 0.000 0.455 519 Q N -0.694 119.161 119.800 0.091 0.000 2.020 519 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 519 Q C 2.123 178.185 176.000 0.103 0.000 0.982 519 Q CA 2.370 58.211 55.803 0.064 0.000 0.838 519 Q CB -0.341 28.402 28.738 0.010 0.000 0.899 519 Q HN 0.525 nan 8.270 nan 0.000 0.423 520 M N -0.962 118.722 119.600 0.140 0.000 2.229 520 M HA -0.130 4.350 4.480 -0.001 0.000 0.264 520 M C 2.300 178.885 176.300 0.476 0.000 1.063 520 M CA 0.887 56.347 55.300 0.267 0.000 1.114 520 M CB -1.119 31.704 32.600 0.371 0.000 1.387 520 M HN 0.332 nan 8.290 nan 0.000 0.420 521 c N -0.440 118.386 118.600 0.377 0.000 2.446 521 c HA -0.006 4.564 4.570 -0.001 0.000 0.279 521 c C 2.918 177.186 174.090 0.298 0.000 1.366 521 c CA 0.155 56.714 56.329 0.382 0.000 1.763 521 c CB -0.825 41.845 42.510 0.267 0.000 1.929 521 c HN 0.315 nan 8.230 nan 0.000 0.509 522 V N 0.587 120.639 119.914 0.229 0.000 2.515 522 V HA -0.202 3.918 4.120 -0.001 0.000 0.250 522 V C 2.024 178.235 176.094 0.195 0.000 1.058 522 V CA 2.019 64.427 62.300 0.181 0.000 1.064 522 V CB -0.767 31.137 31.823 0.135 0.000 0.675 522 V HN 0.584 nan 8.190 nan 0.000 0.461 523 F N -0.036 119.944 119.950 0.050 0.000 2.113 523 F HA -0.172 4.355 4.527 -0.001 0.000 0.297 523 F C 1.939 177.713 175.800 -0.043 0.000 1.103 523 F CA 1.657 59.632 58.000 -0.041 0.000 1.248 523 F CB -0.334 38.523 39.000 -0.239 0.000 0.999 523 F HN 0.171 nan 8.300 nan 0.000 0.475 524 W N 0.444 121.824 121.300 0.133 0.000 2.518 524 W HA -0.052 4.608 4.660 -0.001 0.000 0.273 524 W C 1.930 178.425 176.519 -0.039 0.000 1.247 524 W CA 0.664 58.020 57.345 0.019 0.000 1.288 524 W CB -0.372 29.219 29.460 0.217 0.000 1.107 524 W HN -0.028 nan 8.180 nan 0.000 0.586 525 N N -0.937 117.882 118.700 0.197 0.000 2.415 525 N HA 0.001 4.741 4.740 -0.001 0.000 0.174 525 N C 1.393 176.906 175.510 0.005 0.000 1.048 525 N CA 0.839 53.923 53.050 0.057 0.000 0.895 525 N CB -0.022 38.508 38.487 0.071 0.000 1.036 525 N HN 0.331 nan 8.380 nan 0.000 0.449 526 Q N -1.095 118.727 119.800 0.037 0.000 2.652 526 Q HA 0.214 4.554 4.340 -0.001 0.000 0.211 526 Q C 1.251 177.256 176.000 0.008 0.000 0.858 526 Q CA -0.137 55.687 55.803 0.036 0.000 0.895 526 Q CB 0.089 28.881 28.738 0.089 0.000 1.194 526 Q HN 0.125 nan 8.270 nan 0.000 0.645 527 F N 1.928 121.795 119.950 -0.138 0.000 2.060 527 F HA -0.209 4.318 4.527 -0.001 0.000 0.295 527 F C 2.032 177.651 175.800 -0.302 0.000 1.120 527 F CA 1.129 59.017 58.000 -0.187 0.000 1.205 527 F CB -0.267 38.649 39.000 -0.140 0.000 0.986 527 F HN 0.056 nan 8.300 nan 0.000 0.470 528 L N 1.251 122.115 121.223 -0.599 0.000 2.012 528 L HA -0.105 4.235 4.340 -0.001 0.000 0.210 528 L C -0.857 175.756 176.870 -0.427 0.000 1.073 528 L CA 2.231 56.655 54.840 -0.693 0.000 0.748 528 L CB -1.985 39.561 42.059 -0.854 0.000 0.891 528 L HN 0.024 nan 8.230 nan 0.000 0.431 529 P HA -0.212 nan 4.420 nan 0.000 0.215 529 P C 1.476 178.661 177.300 -0.192 0.000 1.153 529 P CA 1.647 64.654 63.100 -0.155 0.000 0.853 529 P CB -0.077 31.565 31.700 -0.096 0.000 0.788 530 K N -0.135 120.119 120.400 -0.244 0.000 2.097 530 K HA -0.118 4.201 4.320 -0.001 0.000 0.205 530 K C 2.049 178.466 176.600 -0.304 0.000 1.050 530 K CA 0.941 57.091 56.287 -0.228 0.000 0.938 530 K CB -0.727 31.651 32.500 -0.202 0.000 0.718 530 K HN 0.056 nan 8.250 nan 0.000 0.442 531 L N 0.941 121.859 121.223 -0.509 0.000 2.046 531 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 531 L C 1.976 178.688 176.870 -0.264 0.000 1.077 531 L CA 1.176 55.737 54.840 -0.464 0.000 0.747 531 L CB -0.097 41.553 42.059 -0.681 0.000 0.896 531 L HN 0.233 nan 8.230 nan 0.000 0.432 532 L N -0.241 120.842 121.223 -0.234 0.000 2.156 532 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 532 L C 2.385 179.196 176.870 -0.098 0.000 1.095 532 L CA 1.351 56.106 54.840 -0.141 0.000 0.770 532 L CB -0.773 41.223 42.059 -0.106 0.000 0.914 532 L HN 0.457 nan 8.230 nan 0.000 0.439 533 N N 0.454 119.093 118.700 -0.102 0.000 2.270 533 N HA -0.134 4.605 4.740 -0.001 0.000 0.181 533 N C 1.821 177.290 175.510 -0.067 0.000 1.016 533 N CA 1.064 54.072 53.050 -0.070 0.000 0.870 533 N CB 0.227 38.676 38.487 -0.064 0.000 0.979 533 N HN 0.301 nan 8.380 nan 0.000 0.431 534 A N 0.242 123.009 122.820 -0.088 0.000 2.016 534 A HA 0.021 4.340 4.320 -0.001 0.000 0.217 534 A C 1.330 178.879 177.584 -0.057 0.000 1.162 534 A CA 1.247 53.243 52.037 -0.069 0.000 0.662 534 A CB -0.365 18.588 19.000 -0.078 0.000 0.812 534 A HN 0.538 nan 8.150 nan 0.000 0.450 535 T N 0.000 114.513 114.554 -0.068 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.069 62.100 -0.052 0.000 1.349 535 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658