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 1vot_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 EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATAC 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 0.000 174.655 174.600 0.091 0.000 1.055 4 S CA 0.000 58.236 58.200 0.059 0.000 1.107 4 S CB 0.000 63.236 63.200 0.059 0.000 0.593 5 E N 2.096 122.353 120.200 0.096 0.000 2.209 5 E HA -0.086 4.263 4.350 -0.001 0.000 0.196 5 E C 1.105 177.850 176.600 0.241 0.000 0.993 5 E CA 1.550 58.036 56.400 0.142 0.000 0.819 5 E CB -0.122 29.648 29.700 0.118 0.000 0.745 5 E HN 0.695 nan 8.360 nan 0.000 0.477 6 L N 0.487 121.827 121.223 0.194 0.000 2.585 6 L HA 0.198 4.538 4.340 -0.001 0.000 0.226 6 L C 0.424 177.517 176.870 0.372 0.000 1.113 6 L CA -0.427 54.548 54.840 0.225 0.000 0.876 6 L CB 0.257 42.322 42.059 0.009 0.000 1.072 6 L HN 0.099 nan 8.230 nan 0.000 0.468 7 L N 0.896 122.277 121.223 0.264 0.000 2.295 7 L HA 0.587 4.926 4.340 -0.001 0.000 0.285 7 L C -0.609 176.356 176.870 0.160 0.000 1.035 7 L CA -0.165 54.813 54.840 0.229 0.000 0.806 7 L CB 1.610 43.746 42.059 0.128 0.000 1.214 7 L HN -0.302 nan 8.230 nan 0.000 0.426 8 V N 4.761 124.740 119.914 0.109 0.000 2.841 8 V HA 0.511 4.631 4.120 -0.001 0.000 0.310 8 V C -0.683 175.314 176.094 -0.161 0.000 1.090 8 V CA -0.893 61.307 62.300 -0.166 0.000 0.930 8 V CB 2.272 33.737 31.823 -0.596 0.000 1.014 8 V HN 0.747 nan 8.190 nan 0.000 0.425 9 N N 2.197 120.718 118.700 -0.299 0.000 2.424 9 N HA 0.603 5.342 4.740 -0.001 0.000 0.271 9 N C -0.440 174.705 175.510 -0.609 0.000 0.985 9 N CA -0.069 52.775 53.050 -0.344 0.000 0.921 9 N CB 2.202 40.472 38.487 -0.361 0.000 1.149 9 N HN 0.932 nan 8.380 nan 0.000 0.492 10 T N -1.048 113.247 114.554 -0.432 0.000 2.926 10 T HA 0.390 4.740 4.350 -0.001 0.000 0.289 10 T C 1.003 175.440 174.700 -0.438 0.000 1.054 10 T CA -0.727 61.104 62.100 -0.448 0.000 1.015 10 T CB 1.629 70.464 68.868 -0.055 0.000 1.167 10 T HN 0.266 nan 8.240 nan 0.000 0.526 11 K N 0.294 120.498 120.400 -0.327 0.000 2.519 11 K HA 0.030 4.349 4.320 -0.001 0.000 0.196 11 K C 1.639 178.076 176.600 -0.272 0.000 1.041 11 K CA 0.645 56.778 56.287 -0.256 0.000 0.954 11 K CB -0.100 32.312 32.500 -0.145 0.000 0.774 11 K HN 0.406 nan 8.250 nan 0.000 0.480 12 S N -0.445 115.053 115.700 -0.336 0.000 2.497 12 S HA 0.199 4.669 4.470 -0.001 0.000 0.218 12 S C 0.570 174.471 174.600 -1.165 0.000 1.023 12 S CA 0.242 58.124 58.200 -0.529 0.000 0.913 12 S CB 1.044 64.089 63.200 -0.259 0.000 0.800 12 S HN 0.553 nan 8.310 nan 0.000 0.505 13 G N 1.011 109.236 108.800 -0.959 0.000 2.359 13 G HA2 0.193 4.153 3.960 -0.001 0.000 0.293 13 G HA3 0.193 4.153 3.960 -0.001 0.000 0.293 13 G C -1.983 172.754 174.900 -0.271 0.000 1.300 13 G CA -1.091 43.443 45.100 -0.943 0.000 0.888 13 G HN 0.094 nan 8.290 nan 0.000 0.541 14 K N -0.868 119.602 120.400 0.118 0.000 2.098 14 K HA 0.711 5.031 4.320 -0.001 0.000 0.257 14 K C -0.805 176.163 176.600 0.613 0.000 0.999 14 K CA -0.707 55.741 56.287 0.267 0.000 0.924 14 K CB 2.248 34.863 32.500 0.192 0.000 1.028 14 K HN 0.309 nan 8.250 nan 0.000 0.466 15 V N 2.521 122.734 119.914 0.499 0.000 2.686 15 V HA 0.244 4.363 4.120 -0.001 0.000 0.306 15 V C -1.136 175.283 176.094 0.543 0.000 1.065 15 V CA -0.840 61.834 62.300 0.624 0.000 0.894 15 V CB 1.792 34.033 31.823 0.698 0.000 1.004 15 V HN 0.715 nan 8.190 nan 0.000 0.424 16 M N 4.890 124.754 119.600 0.441 0.000 2.066 16 M HA 0.719 5.199 4.480 -0.001 0.000 0.340 16 M C 0.375 176.771 176.300 0.161 0.000 1.053 16 M CA 0.173 55.642 55.300 0.281 0.000 0.983 16 M CB 0.831 33.523 32.600 0.153 0.000 1.520 16 M HN 0.711 nan 8.290 nan 0.000 0.428 17 G N 1.889 110.651 108.800 -0.063 0.000 2.531 17 G HA2 0.591 4.551 3.960 -0.001 0.000 0.253 17 G HA3 0.591 4.551 3.960 -0.001 0.000 0.253 17 G C -0.955 173.727 174.900 -0.364 0.000 1.439 17 G CA -0.289 44.431 45.100 -0.634 0.000 1.056 17 G HN 0.672 nan 8.290 nan 0.000 0.555 18 T N -1.615 112.688 114.554 -0.418 0.000 2.932 18 T HA 0.491 4.840 4.350 -0.001 0.000 0.318 18 T C -0.972 173.622 174.700 -0.176 0.000 1.265 18 T CA -0.681 61.288 62.100 -0.219 0.000 1.036 18 T CB 1.536 70.298 68.868 -0.176 0.000 1.209 18 T HN 0.574 nan 8.240 nan 0.000 0.484 19 R N 2.653 123.108 120.500 -0.075 0.000 2.254 19 R HA 0.665 5.004 4.340 -0.001 0.000 0.318 19 R C -0.491 175.843 176.300 0.057 0.000 1.031 19 R CA -0.514 55.592 56.100 0.010 0.000 0.905 19 R CB 0.530 30.846 30.300 0.026 0.000 1.050 19 R HN 0.531 nan 8.270 nan 0.000 0.456 20 V N 2.750 122.713 119.914 0.081 0.000 2.604 20 V HA 0.691 4.811 4.120 -0.001 0.000 0.305 20 V C -2.509 173.561 176.094 -0.039 0.000 1.043 20 V CA -2.619 59.698 62.300 0.029 0.000 0.888 20 V CB 1.677 33.511 31.823 0.019 0.000 0.995 20 V HN 0.759 nan 8.190 nan 0.000 0.429 21 P HA 0.458 nan 4.420 nan 0.000 0.274 21 P C -0.824 176.223 177.300 -0.422 0.000 1.246 21 P CA -0.157 62.592 63.100 -0.585 0.000 0.795 21 P CB 2.027 33.431 31.700 -0.495 0.000 1.006 22 V N 3.700 123.314 119.914 -0.500 0.000 2.915 22 V HA 0.078 4.197 4.120 -0.001 0.000 0.282 22 V C -0.178 175.542 176.094 -0.623 0.000 1.445 22 V CA -0.803 61.173 62.300 -0.540 0.000 0.953 22 V CB 1.028 32.477 31.823 -0.623 0.000 1.140 22 V HN 0.510 nan 8.190 nan 0.000 0.440 23 L N 6.322 127.309 121.223 -0.393 0.000 4.060 23 L HA -0.229 4.110 4.340 -0.001 0.000 0.467 23 L C 1.129 177.857 176.870 -0.237 0.000 1.157 23 L CA 1.284 55.955 54.840 -0.282 0.000 0.719 23 L CB -1.818 40.078 42.059 -0.272 0.000 1.606 23 L HN 1.872 nan 8.230 nan 0.000 0.822 24 S N -3.382 112.207 115.700 -0.185 0.000 3.382 24 S HA -0.233 4.237 4.470 -0.001 0.000 0.293 24 S C 0.206 174.783 174.600 -0.037 0.000 1.262 24 S CA 1.351 59.498 58.200 -0.089 0.000 0.969 24 S CB -1.230 61.959 63.200 -0.018 0.000 1.136 24 S HN 1.003 nan 8.310 nan 0.000 0.635 25 S N -0.681 114.944 115.700 -0.125 0.000 3.121 25 S HA 0.867 5.336 4.470 -0.001 0.000 0.324 25 S C -1.202 173.393 174.600 -0.008 0.000 1.192 25 S CA -0.178 58.083 58.200 0.103 0.000 0.937 25 S CB 1.078 64.460 63.200 0.302 0.000 1.336 25 S HN 0.741 nan 8.310 nan 0.000 0.664 26 H N -0.611 118.494 119.070 0.058 0.000 2.966 26 H HA 0.799 5.354 4.556 -0.001 0.000 0.330 26 H C -0.719 174.689 175.328 0.134 0.000 1.292 26 H CA -0.081 55.990 56.048 0.038 0.000 1.127 26 H CB 1.366 31.149 29.762 0.034 0.000 1.863 26 H HN 0.770 nan 8.280 nan 0.000 0.543 27 I N -2.650 118.075 120.570 0.258 0.000 3.149 27 I HA 0.659 4.829 4.170 -0.001 0.000 0.310 27 I C -1.196 175.035 176.117 0.190 0.000 1.343 27 I CA -0.954 60.492 61.300 0.243 0.000 0.955 27 I CB 2.407 40.571 38.000 0.275 0.000 1.309 27 I HN 0.404 nan 8.210 nan 0.000 0.478 28 S N 1.301 117.118 115.700 0.194 0.000 2.617 28 S HA 0.891 5.361 4.470 -0.001 0.000 0.283 28 S C -0.306 174.324 174.600 0.050 0.000 1.189 28 S CA -0.417 57.837 58.200 0.089 0.000 1.036 28 S CB 1.596 64.908 63.200 0.186 0.000 1.014 28 S HN 0.930 nan 8.310 nan 0.000 0.522 29 A N 1.618 124.298 122.820 -0.234 0.000 2.427 29 A HA 0.758 5.078 4.320 -0.001 0.000 0.298 29 A C -1.590 175.661 177.584 -0.555 0.000 1.036 29 A CA -0.618 51.218 52.037 -0.335 0.000 0.701 29 A CB 0.604 19.410 19.000 -0.323 0.000 1.250 29 A HN 0.609 nan 8.150 nan 0.000 0.412 30 F N 2.463 122.292 119.950 -0.201 0.000 2.430 30 F HA 0.521 5.048 4.527 -0.001 0.000 0.362 30 F C -0.220 175.465 175.800 -0.191 0.000 1.103 30 F CA -0.389 57.578 58.000 -0.056 0.000 1.045 30 F CB 1.476 40.541 39.000 0.107 0.000 1.276 30 F HN 0.371 nan 8.300 nan 0.000 0.444 31 L N 2.330 123.496 121.223 -0.095 0.000 2.317 31 L HA 0.724 5.064 4.340 -0.001 0.000 0.281 31 L C 0.838 177.744 176.870 0.060 0.000 1.024 31 L CA -0.973 53.800 54.840 -0.111 0.000 0.810 31 L CB 1.666 43.570 42.059 -0.258 0.000 1.240 31 L HN 0.821 nan 8.230 nan 0.000 0.427 32 G N 3.272 112.140 108.800 0.113 0.000 2.289 32 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.280 32 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.280 32 G C -0.265 174.800 174.900 0.276 0.000 1.089 32 G CA -0.397 44.806 45.100 0.171 0.000 0.939 32 G HN 0.470 nan 8.290 nan 0.000 0.499 33 I N 2.241 122.858 120.570 0.078 0.000 2.352 33 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 33 I C -1.369 174.539 176.117 -0.348 0.000 1.036 33 I CA -2.284 58.877 61.300 -0.232 0.000 1.336 33 I CB 1.292 39.131 38.000 -0.269 0.000 1.407 33 I HN 0.011 nan 8.210 nan 0.000 0.497 34 P HA 0.033 nan 4.420 nan 0.000 0.275 34 P C -0.295 176.665 177.300 -0.566 0.000 1.227 34 P CA -0.007 62.612 63.100 -0.802 0.000 0.781 34 P CB 0.652 31.817 31.700 -0.891 0.000 0.906 35 F N 0.598 120.223 119.950 -0.543 0.000 2.746 35 F HA 0.757 5.284 4.527 -0.001 0.000 0.320 35 F C -0.149 175.555 175.800 -0.159 0.000 1.097 35 F CA -1.242 56.515 58.000 -0.404 0.000 1.195 35 F CB -0.030 38.728 39.000 -0.404 0.000 1.056 35 F HN 0.421 nan 8.300 nan 0.000 0.562 36 A N -0.248 122.441 122.820 -0.219 0.000 2.601 36 A HA 0.564 4.883 4.320 -0.001 0.000 0.291 36 A C -1.110 176.364 177.584 -0.184 0.000 1.075 36 A CA -0.838 51.148 52.037 -0.086 0.000 0.671 36 A CB 0.799 19.780 19.000 -0.031 0.000 1.277 36 A HN 0.037 nan 8.150 nan 0.000 0.417 37 E N 2.139 122.296 120.200 -0.071 0.000 2.360 37 E HA 0.271 4.620 4.350 -0.001 0.000 0.269 37 E C -2.245 174.291 176.600 -0.107 0.000 1.022 37 E CA -1.501 54.861 56.400 -0.064 0.000 0.887 37 E CB 0.354 30.051 29.700 -0.006 0.000 0.990 37 E HN 0.374 nan 8.360 nan 0.000 0.426 38 P HA -0.015 nan 4.420 nan 0.000 0.258 38 P C -2.219 175.044 177.300 -0.062 0.000 1.187 38 P CA -0.879 62.164 63.100 -0.094 0.000 0.767 38 P CB -0.207 31.477 31.700 -0.027 0.000 0.770 39 P HA -0.000 nan 4.420 nan 0.000 0.228 39 P C 0.368 177.635 177.300 -0.056 0.000 1.748 39 P CA 0.025 63.095 63.100 -0.050 0.000 0.909 39 P CB -0.167 31.507 31.700 -0.043 0.000 1.882 40 V N -2.833 117.053 119.914 -0.047 0.000 3.463 40 V HA 0.849 4.968 4.120 -0.001 0.000 0.302 40 V C 1.072 177.139 176.094 -0.045 0.000 1.097 40 V CA 0.164 62.434 62.300 -0.049 0.000 1.003 40 V CB 0.245 32.048 31.823 -0.032 0.000 1.229 40 V HN 0.508 nan 8.190 nan 0.000 0.444 41 G N 1.197 109.972 108.800 -0.041 0.000 2.594 41 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.297 41 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.297 41 G C 0.601 175.477 174.900 -0.040 0.000 1.273 41 G CA 0.759 45.843 45.100 -0.028 0.000 0.974 41 G HN 1.475 nan 8.290 nan 0.000 0.552 42 N N 0.357 119.049 118.700 -0.013 0.000 2.585 42 N HA -0.008 4.731 4.740 -0.001 0.000 0.188 42 N C 2.230 177.731 175.510 -0.015 0.000 1.102 42 N CA 1.738 54.786 53.050 -0.003 0.000 0.920 42 N CB -0.149 38.346 38.487 0.014 0.000 0.963 42 N HN 0.498 nan 8.380 nan 0.000 0.447 43 M N -0.320 119.262 119.600 -0.030 0.000 2.556 43 M HA 0.094 4.574 4.480 -0.001 0.000 0.245 43 M C 1.107 177.370 176.300 -0.061 0.000 1.128 43 M CA 0.041 55.325 55.300 -0.025 0.000 1.069 43 M CB 0.057 32.647 32.600 -0.017 0.000 1.469 43 M HN 0.134 nan 8.290 nan 0.000 0.494 44 R N 0.726 121.133 120.500 -0.155 0.000 2.538 44 R HA -0.091 4.249 4.340 -0.001 0.000 0.282 44 R C -0.383 175.689 176.300 -0.379 0.000 1.009 44 R CA 0.712 56.599 56.100 -0.355 0.000 1.063 44 R CB 0.167 30.106 30.300 -0.601 0.000 0.945 44 R HN 0.237 nan 8.270 nan 0.000 0.414 45 F N -0.466 119.500 119.950 0.027 0.000 2.496 45 F HA -0.283 4.244 4.527 -0.001 0.000 0.523 45 F C 0.613 176.405 175.800 -0.015 0.000 0.526 45 F CA 0.801 58.790 58.000 -0.018 0.000 1.272 45 F CB -1.431 37.546 39.000 -0.038 0.000 1.968 45 F HN 0.632 nan 8.300 nan 0.000 0.263 46 R N 1.724 122.302 120.500 0.130 0.000 2.679 46 R HA 0.392 4.731 4.340 -0.001 0.000 0.269 46 R C 0.769 177.106 176.300 0.062 0.000 1.076 46 R CA -0.681 55.469 56.100 0.084 0.000 1.160 46 R CB 0.480 30.812 30.300 0.054 0.000 1.054 46 R HN 0.136 nan 8.270 nan 0.000 0.507 47 R N 2.133 122.666 120.500 0.055 0.000 2.734 47 R HA 0.079 4.419 4.340 -0.001 0.000 0.266 47 R C -1.828 174.505 176.300 0.055 0.000 1.044 47 R CA -1.091 55.040 56.100 0.053 0.000 1.128 47 R CB -0.126 30.207 30.300 0.056 0.000 1.010 47 R HN 0.445 nan 8.270 nan 0.000 0.461 48 P HA 0.055 nan 4.420 nan 0.000 0.272 48 P C -0.928 176.418 177.300 0.076 0.000 1.230 48 P CA 0.019 63.165 63.100 0.078 0.000 0.788 48 P CB 0.801 32.581 31.700 0.133 0.000 0.949 49 E N 1.233 121.472 120.200 0.066 0.000 2.227 49 E HA 0.417 4.766 4.350 -0.001 0.000 0.268 49 E C -2.367 174.285 176.600 0.087 0.000 0.907 49 E CA -2.431 54.009 56.400 0.066 0.000 0.786 49 E CB 1.461 31.189 29.700 0.045 0.000 1.191 49 E HN 0.332 nan 8.360 nan 0.000 0.411 50 P HA -0.006 nan 4.420 nan 0.000 0.269 50 P C -0.988 176.381 177.300 0.116 0.000 1.215 50 P CA -0.282 62.899 63.100 0.135 0.000 0.780 50 P CB 0.464 32.236 31.700 0.120 0.000 0.898 51 K N 2.109 122.598 120.400 0.148 0.000 2.310 51 K HA 0.105 4.424 4.320 -0.001 0.000 0.290 51 K C -0.506 176.191 176.600 0.161 0.000 1.077 51 K CA -0.119 56.247 56.287 0.132 0.000 0.922 51 K CB -0.312 32.272 32.500 0.140 0.000 1.057 51 K HN -0.005 nan 8.250 nan 0.000 0.479 52 K N 5.756 126.235 120.400 0.132 0.000 2.504 52 K HA 0.017 4.337 4.320 -0.001 0.000 0.278 52 K C -2.224 174.481 176.600 0.176 0.000 1.025 52 K CA -0.776 55.585 56.287 0.124 0.000 1.093 52 K CB -0.492 32.077 32.500 0.116 0.000 0.873 52 K HN 0.656 nan 8.250 nan 0.000 0.483 53 P HA 0.094 nan 4.420 nan 0.000 0.270 53 P C -0.552 176.826 177.300 0.130 0.000 1.221 53 P CA -0.120 62.959 63.100 -0.036 0.000 0.788 53 P CB 0.324 31.942 31.700 -0.138 0.000 0.904 54 W N -0.056 121.307 121.300 0.104 0.000 2.958 54 W HA 0.803 5.462 4.660 -0.001 0.000 0.339 54 W C -0.775 175.816 176.519 0.119 0.000 1.174 54 W CA -0.896 56.532 57.345 0.139 0.000 1.064 54 W CB 0.269 29.873 29.460 0.241 0.000 1.471 54 W HN 0.288 nan 8.180 nan 0.000 0.599 55 S N 0.250 116.191 115.700 0.401 0.000 2.634 55 S HA 0.787 5.256 4.470 -0.001 0.000 0.296 55 S C -0.035 174.782 174.600 0.361 0.000 1.104 55 S CA 0.185 58.532 58.200 0.245 0.000 0.920 55 S CB 0.670 63.957 63.200 0.146 0.000 1.111 55 S HN 2.140 nan 8.310 nan 0.000 0.493 56 G N 0.443 109.392 108.800 0.247 0.000 2.814 56 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.677 56 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.677 56 G C -0.343 174.770 174.900 0.355 0.000 1.429 56 G CA -0.438 44.800 45.100 0.230 0.000 0.868 56 G HN 1.908 nan 8.290 nan 0.000 0.553 57 V N -1.896 118.178 119.914 0.267 0.000 2.607 57 V HA 0.674 4.794 4.120 -0.001 0.000 0.289 57 V C 0.812 177.090 176.094 0.308 0.000 1.053 57 V CA -0.774 61.730 62.300 0.339 0.000 0.996 57 V CB 1.654 33.609 31.823 0.221 0.000 0.995 57 V HN 1.147 nan 8.190 nan 0.000 0.476 58 W N 4.912 126.329 121.300 0.195 0.000 2.311 58 W HA 0.322 4.982 4.660 -0.001 0.000 0.310 58 W C 0.077 176.596 176.519 0.001 0.000 1.274 58 W CA -0.483 56.791 57.345 -0.118 0.000 1.215 58 W CB 1.229 30.481 29.460 -0.345 0.000 1.227 58 W HN 0.851 nan 8.180 nan 0.000 0.523 59 N N 4.713 123.172 118.700 -0.402 0.000 2.402 59 N HA 0.175 4.914 4.740 -0.001 0.000 0.252 59 N C -0.325 175.144 175.510 -0.068 0.000 1.118 59 N CA 0.190 53.129 53.050 -0.185 0.000 0.945 59 N CB 1.015 39.347 38.487 -0.259 0.000 1.147 59 N HN 0.387 nan 8.380 nan 0.000 0.495 60 A N 2.816 125.737 122.820 0.168 0.000 3.181 60 A HA 0.163 4.483 4.320 -0.001 0.000 0.293 60 A C 1.131 178.718 177.584 0.005 0.000 1.346 60 A CA -0.363 51.804 52.037 0.217 0.000 1.018 60 A CB -0.594 18.636 19.000 0.385 0.000 1.093 60 A HN 0.652 nan 8.150 nan 0.000 0.629 61 S N -0.780 114.883 115.700 -0.060 0.000 2.548 61 S HA 0.162 4.631 4.470 -0.001 0.000 0.215 61 S C 0.617 175.135 174.600 -0.137 0.000 0.976 61 S CA 0.565 58.694 58.200 -0.118 0.000 0.908 61 S CB -0.343 62.794 63.200 -0.104 0.000 0.781 61 S HN 0.814 nan 8.310 nan 0.000 0.519 62 T N -1.031 113.454 114.554 -0.115 0.000 2.993 62 T HA 0.546 4.895 4.350 -0.001 0.000 0.312 62 T C -0.869 173.809 174.700 -0.037 0.000 1.115 62 T CA -0.808 61.225 62.100 -0.112 0.000 1.027 62 T CB 0.458 69.281 68.868 -0.074 0.000 1.116 62 T HN 0.048 nan 8.240 nan 0.000 0.464 63 Y N 3.145 123.427 120.300 -0.030 0.000 2.986 63 Y HA 0.214 4.764 4.550 -0.001 0.000 0.342 63 Y C -1.344 174.506 175.900 -0.082 0.000 1.275 63 Y CA -0.633 57.453 58.100 -0.023 0.000 1.527 63 Y CB -0.054 38.418 38.460 0.020 0.000 1.296 63 Y HN 0.533 nan 8.280 nan 0.000 0.628 64 P HA 0.151 nan 4.420 nan 0.000 0.284 64 P C -0.890 176.342 177.300 -0.113 0.000 1.292 64 P CA -0.607 62.390 63.100 -0.172 0.000 0.800 64 P CB 1.093 32.627 31.700 -0.276 0.000 1.188 65 N N -0.597 117.998 118.700 -0.174 0.000 2.354 65 N HA 0.115 4.854 4.740 -0.001 0.000 0.246 65 N C 0.036 175.526 175.510 -0.033 0.000 1.285 65 N CA -0.155 52.844 53.050 -0.085 0.000 0.925 65 N CB 0.150 38.594 38.487 -0.073 0.000 1.174 65 N HN 0.419 nan 8.380 nan 0.000 0.478 66 N N -0.468 118.209 118.700 -0.038 0.000 2.370 66 N HA 0.329 5.068 4.740 -0.001 0.000 0.303 66 N C -0.883 174.603 175.510 -0.040 0.000 1.103 66 N CA -0.830 52.198 53.050 -0.035 0.000 0.848 66 N CB 1.376 39.821 38.487 -0.070 0.000 1.235 66 N HN 0.391 nan 8.380 nan 0.000 0.496 67 c N 1.436 120.019 118.600 -0.028 0.000 2.689 67 c HA 0.033 4.602 4.570 -0.001 0.000 0.409 67 c C 0.782 174.813 174.090 -0.098 0.000 1.293 67 c CA -0.646 55.647 56.329 -0.061 0.000 2.136 67 c CB -0.191 42.316 42.510 -0.005 0.000 2.719 67 c HN 0.529 nan 8.230 nan 0.000 0.644 68 Q N 2.538 122.201 119.800 -0.228 0.000 2.315 68 Q HA 0.227 4.566 4.340 -0.001 0.000 0.289 68 Q C -0.040 175.951 176.000 -0.014 0.000 1.044 68 Q CA 0.990 56.654 55.803 -0.232 0.000 0.920 68 Q CB 0.357 28.696 28.738 -0.664 0.000 1.214 68 Q HN 0.915 nan 8.270 nan 0.000 0.392 69 Q N 0.716 120.593 119.800 0.128 0.000 2.776 69 Q HA 0.239 4.578 4.340 -0.001 0.000 0.289 69 Q C -1.429 174.775 176.000 0.339 0.000 0.912 69 Q CA -0.977 54.998 55.803 0.286 0.000 0.789 69 Q CB 0.446 29.305 28.738 0.200 0.000 1.498 69 Q HN 0.476 nan 8.270 nan 0.000 0.408 70 Y N 1.357 121.884 120.300 0.378 0.000 2.632 70 Y HA 0.340 4.889 4.550 -0.001 0.000 0.329 70 Y C -0.908 175.195 175.900 0.338 0.000 1.174 70 Y CA 0.252 58.600 58.100 0.413 0.000 1.469 70 Y CB 0.772 39.604 38.460 0.620 0.000 1.242 70 Y HN 0.441 nan 8.280 nan 0.000 0.540 71 V N 6.731 126.372 119.914 -0.455 0.000 2.439 71 V HA 0.109 4.228 4.120 -0.001 0.000 0.282 71 V C -0.318 175.422 176.094 -0.590 0.000 1.039 71 V CA -0.937 61.169 62.300 -0.323 0.000 0.913 71 V CB 1.449 33.177 31.823 -0.158 0.000 0.983 71 V HN 0.720 nan 8.190 nan 0.000 0.460 72 D N 3.489 123.797 120.400 -0.155 0.000 2.336 72 D HA 0.137 4.776 4.640 -0.001 0.000 0.249 72 D C 0.567 176.917 176.300 0.082 0.000 1.213 72 D CA 0.166 54.202 54.000 0.059 0.000 0.870 72 D CB 0.982 42.002 40.800 0.367 0.000 1.076 72 D HN 0.659 nan 8.370 nan 0.000 0.483 73 E N 2.214 122.431 120.200 0.028 0.000 2.548 73 E HA -0.003 4.347 4.350 -0.001 0.000 0.206 73 E C 1.174 177.762 176.600 -0.020 0.000 1.005 73 E CA -0.195 56.219 56.400 0.025 0.000 0.951 73 E CB 0.540 30.232 29.700 -0.015 0.000 1.035 73 E HN 0.443 nan 8.360 nan 0.000 0.470 74 Q N -0.502 119.266 119.800 -0.055 0.000 2.181 74 Q HA -0.114 4.225 4.340 -0.001 0.000 0.205 74 Q C -0.087 175.445 176.000 -0.779 0.000 0.980 74 Q CA 1.219 56.733 55.803 -0.482 0.000 0.862 74 Q CB 0.188 28.465 28.738 -0.769 0.000 0.905 74 Q HN 0.232 nan 8.270 nan 0.000 0.429 75 F N -0.211 119.794 119.950 0.091 0.000 2.646 75 F HA 0.340 4.866 4.527 -0.001 0.000 0.336 75 F C -2.187 173.682 175.800 0.116 0.000 1.437 75 F CA -2.530 55.513 58.000 0.072 0.000 1.142 75 F CB 1.009 40.084 39.000 0.125 0.000 1.530 75 F HN -0.177 nan 8.300 nan 0.000 0.591 76 P HA 0.110 nan 4.420 nan 0.000 0.261 76 P C 1.060 178.441 177.300 0.136 0.000 1.173 76 P CA 1.573 64.743 63.100 0.118 0.000 0.760 76 P CB 0.676 32.407 31.700 0.052 0.000 0.783 77 G N 2.520 111.392 108.800 0.119 0.000 2.253 77 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.251 77 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.251 77 G C 0.059 175.051 174.900 0.153 0.000 0.998 77 G CA -0.399 44.761 45.100 0.099 0.000 0.621 77 G HN 0.537 nan 8.290 nan 0.000 0.524 78 F N 3.714 123.666 119.950 0.003 0.000 2.466 78 F HA 0.498 5.025 4.527 -0.001 0.000 0.363 78 F C 1.776 177.529 175.800 -0.078 0.000 1.109 78 F CA -0.459 57.489 58.000 -0.086 0.000 1.161 78 F CB 0.791 39.713 39.000 -0.129 0.000 1.117 78 F HN 0.271 nan 8.300 nan 0.000 0.539 79 S N 3.507 118.984 115.700 -0.372 0.000 2.365 79 S HA -0.183 4.286 4.470 -0.001 0.000 0.225 79 S C 2.293 176.551 174.600 -0.570 0.000 1.039 79 S CA 1.120 59.086 58.200 -0.389 0.000 1.033 79 S CB -1.384 61.618 63.200 -0.330 0.000 0.887 79 S HN 0.779 nan 8.310 nan 0.000 0.447 80 G N 1.148 109.206 108.800 -1.236 0.000 2.537 80 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.220 80 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.220 80 G C 1.513 176.427 174.900 0.024 0.000 1.111 80 G CA 1.349 45.879 45.100 -0.951 0.000 0.748 80 G HN 0.879 nan 8.290 nan 0.000 0.564 81 S N -1.387 114.342 115.700 0.049 0.000 2.619 81 S HA 0.163 4.633 4.470 -0.001 0.000 0.238 81 S C 1.587 176.459 174.600 0.454 0.000 1.068 81 S CA 0.323 58.937 58.200 0.689 0.000 0.926 81 S CB 0.111 63.866 63.200 0.924 0.000 0.864 81 S HN 0.377 nan 8.310 nan 0.000 0.493 82 E N 1.952 122.255 120.200 0.173 0.000 2.358 82 E HA 0.023 4.372 4.350 -0.001 0.000 0.195 82 E C 1.932 178.515 176.600 -0.029 0.000 1.010 82 E CA 1.012 57.466 56.400 0.091 0.000 0.856 82 E CB -0.335 29.386 29.700 0.036 0.000 0.795 82 E HN 0.846 nan 8.360 nan 0.000 0.504 83 M N -1.669 117.833 119.600 -0.162 0.000 2.460 83 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 83 M C 0.988 177.010 176.300 -0.463 0.000 1.071 83 M CA 1.344 56.413 55.300 -0.385 0.000 1.096 83 M CB -0.319 31.930 32.600 -0.584 0.000 1.408 83 M HN 0.015 nan 8.290 nan 0.000 0.463 84 W N 1.151 122.382 121.300 -0.115 0.000 3.211 84 W HA 0.295 4.954 4.660 -0.001 0.000 0.292 84 W C 0.345 176.790 176.519 -0.124 0.000 1.268 84 W CA -0.838 56.410 57.345 -0.162 0.000 1.702 84 W CB -0.126 29.267 29.460 -0.111 0.000 1.092 84 W HN 0.110 nan 8.180 nan 0.000 0.643 85 N N 1.320 120.086 118.700 0.110 0.000 2.483 85 N HA 0.170 4.909 4.740 -0.001 0.000 0.269 85 N C -2.497 172.997 175.510 -0.027 0.000 1.209 85 N CA -1.507 51.575 53.050 0.054 0.000 0.969 85 N CB 0.133 38.651 38.487 0.053 0.000 1.173 85 N HN -0.387 nan 8.380 nan 0.000 0.475 86 P HA 0.012 nan 4.420 nan 0.000 0.261 86 P C 0.133 177.391 177.300 -0.069 0.000 1.183 86 P CA 0.136 63.195 63.100 -0.069 0.000 0.761 86 P CB 0.196 31.865 31.700 -0.050 0.000 0.785 87 N N 2.832 121.476 118.700 -0.094 0.000 2.238 87 N HA 0.089 4.828 4.740 -0.001 0.000 0.222 87 N C 0.103 175.574 175.510 -0.064 0.000 1.133 87 N CA -0.054 52.947 53.050 -0.081 0.000 0.854 87 N CB 0.338 38.765 38.487 -0.101 0.000 1.041 87 N HN 0.177 nan 8.380 nan 0.000 0.510 88 R N -0.675 119.787 120.500 -0.062 0.000 2.817 88 R HA 0.229 4.569 4.340 -0.001 0.000 0.268 88 R C -1.078 175.195 176.300 -0.045 0.000 1.027 88 R CA -0.659 55.412 56.100 -0.047 0.000 0.928 88 R CB 1.016 31.285 30.300 -0.053 0.000 1.228 88 R HN 0.156 nan 8.270 nan 0.000 0.469 89 E N 1.705 121.881 120.200 -0.041 0.000 2.452 89 E HA 0.035 4.384 4.350 -0.001 0.000 0.261 89 E C -0.070 176.502 176.600 -0.046 0.000 0.987 89 E CA 0.275 56.652 56.400 -0.040 0.000 0.926 89 E CB 0.272 29.948 29.700 -0.040 0.000 0.934 89 E HN 0.335 nan 8.360 nan 0.000 0.452 90 M N 3.112 122.686 119.600 -0.044 0.000 2.288 90 M HA 0.423 4.903 4.480 -0.001 0.000 0.334 90 M C 0.201 176.462 176.300 -0.065 0.000 1.150 90 M CA -0.081 55.185 55.300 -0.055 0.000 1.118 90 M CB 1.769 34.339 32.600 -0.051 0.000 1.501 90 M HN 0.602 nan 8.290 nan 0.000 0.462 91 S N -0.110 115.540 115.700 -0.083 0.000 2.565 91 S HA 0.202 4.672 4.470 -0.001 0.000 0.274 91 S C -0.006 174.522 174.600 -0.121 0.000 1.144 91 S CA -0.685 57.463 58.200 -0.086 0.000 0.849 91 S CB 1.392 64.564 63.200 -0.047 0.000 1.103 91 S HN 0.829 nan 8.310 nan 0.000 0.455 92 E N 0.824 120.937 120.200 -0.145 0.000 2.268 92 E HA -0.088 4.262 4.350 -0.001 0.000 0.195 92 E C -0.252 176.300 176.600 -0.080 0.000 0.995 92 E CA 0.555 56.852 56.400 -0.172 0.000 0.836 92 E CB 0.059 29.657 29.700 -0.169 0.000 0.763 92 E HN 0.508 nan 8.360 nan 0.000 0.491 93 D N 0.529 120.916 120.400 -0.023 0.000 2.558 93 D HA -0.007 4.632 4.640 -0.001 0.000 0.221 93 D C 0.260 176.660 176.300 0.167 0.000 1.143 93 D CA -0.278 53.756 54.000 0.057 0.000 1.010 93 D CB -0.248 40.609 40.800 0.095 0.000 1.068 93 D HN 0.131 nan 8.370 nan 0.000 0.511 94 c N 1.584 120.245 118.600 0.101 0.000 3.642 94 c HA 0.397 4.966 4.570 -0.001 0.000 0.305 94 c C 0.907 175.087 174.090 0.150 0.000 1.492 94 c CA -0.682 55.760 56.329 0.188 0.000 1.809 94 c CB -1.297 41.252 42.510 0.064 0.000 2.639 94 c HN 0.381 nan 8.230 nan 0.000 0.672 95 L N 2.574 123.659 121.223 -0.230 0.000 2.505 95 L HA 0.329 4.668 4.340 -0.001 0.000 0.279 95 L C -0.889 175.259 176.870 -1.204 0.000 1.211 95 L CA 0.713 55.121 54.840 -0.719 0.000 1.059 95 L CB -0.784 40.733 42.059 -0.904 0.000 1.340 95 L HN 0.384 nan 8.230 nan 0.000 0.447 96 Y N 2.174 122.238 120.300 -0.392 0.000 2.581 96 Y HA 0.623 5.172 4.550 -0.001 0.000 0.345 96 Y C -0.153 175.787 175.900 0.067 0.000 1.036 96 Y CA -1.254 56.721 58.100 -0.208 0.000 1.042 96 Y CB 2.020 40.426 38.460 -0.089 0.000 1.289 96 Y HN 0.233 nan 8.280 nan 0.000 0.471 97 L N 0.072 121.412 121.223 0.195 0.000 2.333 97 L HA 0.787 5.126 4.340 -0.001 0.000 0.263 97 L C -1.301 175.610 176.870 0.068 0.000 1.014 97 L CA -1.034 53.908 54.840 0.171 0.000 0.820 97 L CB 1.955 44.072 42.059 0.095 0.000 1.352 97 L HN 0.486 nan 8.230 nan 0.000 0.421 98 N N 1.843 120.578 118.700 0.059 0.000 2.238 98 N HA 0.692 5.431 4.740 -0.001 0.000 0.302 98 N C -1.396 173.977 175.510 -0.227 0.000 1.072 98 N CA -0.189 52.774 53.050 -0.145 0.000 0.792 98 N CB 2.738 41.100 38.487 -0.207 0.000 1.425 98 N HN 0.660 nan 8.380 nan 0.000 0.478 99 I N 0.879 121.240 120.570 -0.347 0.000 2.468 99 I HA 0.334 4.503 4.170 -0.001 0.000 0.285 99 I C -0.684 175.341 176.117 -0.153 0.000 1.039 99 I CA -0.671 60.532 61.300 -0.162 0.000 1.074 99 I CB 1.861 39.717 38.000 -0.239 0.000 1.228 99 I HN 0.240 nan 8.210 nan 0.000 0.436 100 W N 6.070 127.493 121.300 0.206 0.000 2.390 100 W HA 0.596 5.256 4.660 -0.001 0.000 0.312 100 W C -0.737 175.913 176.519 0.218 0.000 1.123 100 W CA -0.634 56.830 57.345 0.198 0.000 1.202 100 W CB 1.966 31.520 29.460 0.155 0.000 1.251 100 W HN 0.093 nan 8.180 nan 0.000 0.511 101 V N 4.989 125.145 119.914 0.403 0.000 2.588 101 V HA 0.276 4.395 4.120 -0.001 0.000 0.304 101 V C -2.013 174.263 176.094 0.303 0.000 1.042 101 V CA -2.336 60.175 62.300 0.351 0.000 0.877 101 V CB 2.160 34.237 31.823 0.424 0.000 0.996 101 V HN 0.259 nan 8.190 nan 0.000 0.425 102 P HA 0.111 nan 4.420 nan 0.000 0.270 102 P C -0.684 176.729 177.300 0.189 0.000 1.227 102 P CA 0.202 63.419 63.100 0.194 0.000 0.788 102 P CB 0.507 32.282 31.700 0.126 0.000 0.926 103 S N 1.114 116.916 115.700 0.170 0.000 2.594 103 S HA 0.554 5.024 4.470 -0.001 0.000 0.296 103 S C -2.626 172.040 174.600 0.110 0.000 1.124 103 S CA -1.506 56.783 58.200 0.148 0.000 1.011 103 S CB 0.307 63.603 63.200 0.160 0.000 1.016 103 S HN 0.231 nan 8.310 nan 0.000 0.485 104 P HA 0.236 nan 4.420 nan 0.000 0.275 104 P C -0.407 176.953 177.300 0.099 0.000 1.227 104 P CA -0.605 62.547 63.100 0.087 0.000 0.781 104 P CB 0.463 32.200 31.700 0.063 0.000 0.906 105 R N 3.613 124.186 120.500 0.121 0.000 2.500 105 R HA 0.004 4.343 4.340 -0.001 0.000 0.281 105 R C -1.725 174.633 176.300 0.097 0.000 0.953 105 R CA -0.602 55.579 56.100 0.135 0.000 1.108 105 R CB -0.135 30.248 30.300 0.139 0.000 0.901 105 R HN 0.430 nan 8.270 nan 0.000 0.410 106 P HA 0.100 nan 4.420 nan 0.000 0.276 106 P C -0.566 176.764 177.300 0.051 0.000 1.261 106 P CA -0.437 62.702 63.100 0.065 0.000 0.800 106 P CB 0.889 32.629 31.700 0.067 0.000 1.066 107 K N -0.169 120.250 120.400 0.030 0.000 2.098 107 K HA 0.076 4.395 4.320 -0.001 0.000 0.203 107 K C 0.850 177.451 176.600 0.002 0.000 1.051 107 K CA 1.129 57.425 56.287 0.015 0.000 0.957 107 K CB -0.412 32.091 32.500 0.006 0.000 0.738 107 K HN 0.559 nan 8.250 nan 0.000 0.447 108 S N 0.542 116.243 115.700 0.002 0.000 2.333 108 S HA 0.167 4.637 4.470 -0.001 0.000 0.208 108 S C -0.957 173.642 174.600 -0.001 0.000 0.911 108 S CA -0.530 57.663 58.200 -0.011 0.000 1.075 108 S CB 0.500 63.681 63.200 -0.033 0.000 1.293 108 S HN 0.102 nan 8.310 nan 0.000 0.396 109 T N 2.282 116.845 114.554 0.016 0.000 2.927 109 T HA 0.675 5.024 4.350 -0.001 0.000 0.286 109 T C -0.018 174.694 174.700 0.020 0.000 1.040 109 T CA -0.132 61.980 62.100 0.019 0.000 1.010 109 T CB 1.372 70.261 68.868 0.035 0.000 1.177 109 T HN 0.616 nan 8.240 nan 0.000 0.546 110 T N 2.009 116.573 114.554 0.016 0.000 2.928 110 T HA 0.377 4.726 4.350 -0.001 0.000 0.305 110 T C -0.214 174.510 174.700 0.040 0.000 1.035 110 T CA -0.342 61.766 62.100 0.013 0.000 1.145 110 T CB 0.352 69.217 68.868 -0.006 0.000 0.963 110 T HN 0.409 nan 8.240 nan 0.000 0.545 111 V N 4.452 124.395 119.914 0.049 0.000 2.581 111 V HA 0.528 4.647 4.120 -0.001 0.000 0.303 111 V C -0.022 176.128 176.094 0.093 0.000 1.041 111 V CA -0.830 61.522 62.300 0.087 0.000 0.907 111 V CB 1.750 33.632 31.823 0.098 0.000 0.994 111 V HN 0.845 nan 8.190 nan 0.000 0.442 112 M N 4.111 123.792 119.600 0.134 0.000 2.197 112 M HA 0.513 4.992 4.480 -0.001 0.000 0.301 112 M C -1.383 175.142 176.300 0.375 0.000 0.987 112 M CA -0.582 54.808 55.300 0.150 0.000 0.921 112 M CB 2.182 34.737 32.600 -0.074 0.000 1.569 112 M HN 0.349 nan 8.290 nan 0.000 0.431 113 V N 3.350 123.525 119.914 0.434 0.000 2.347 113 V HA 0.321 4.441 4.120 -0.001 0.000 0.280 113 V C -0.727 175.696 176.094 0.548 0.000 1.021 113 V CA -0.552 62.000 62.300 0.419 0.000 0.847 113 V CB 1.407 33.361 31.823 0.217 0.000 0.990 113 V HN 0.851 nan 8.190 nan 0.000 0.444 114 W N 7.203 128.676 121.300 0.288 0.000 2.338 114 W HA 0.604 5.263 4.660 -0.001 0.000 0.307 114 W C -1.275 175.180 176.519 -0.106 0.000 1.167 114 W CA -0.771 56.513 57.345 -0.102 0.000 1.208 114 W CB 1.176 30.604 29.460 -0.054 0.000 1.228 114 W HN 0.441 nan 8.180 nan 0.000 0.499 115 I N 9.280 129.270 120.570 -0.967 0.000 2.354 115 I HA 0.069 4.239 4.170 -0.001 0.000 0.286 115 I C -0.155 175.267 176.117 -1.158 0.000 1.007 115 I CA -1.125 59.705 61.300 -0.783 0.000 1.167 115 I CB 0.568 38.280 38.000 -0.481 0.000 1.320 115 I HN 0.288 nan 8.210 nan 0.000 0.458 116 Y N 3.949 123.837 120.300 -0.686 0.000 2.550 116 Y HA 0.534 5.084 4.550 -0.001 0.000 0.343 116 Y C 0.826 176.589 175.900 -0.229 0.000 1.245 116 Y CA -1.544 56.272 58.100 -0.472 0.000 1.462 116 Y CB 0.219 38.628 38.460 -0.085 0.000 1.340 116 Y HN 0.565 nan 8.280 nan 0.000 0.604 117 G N 0.807 109.645 108.800 0.063 0.000 4.855 117 G HA2 0.404 4.364 3.960 -0.001 0.000 0.275 117 G HA3 0.404 4.364 3.960 -0.001 0.000 0.275 117 G C -0.043 174.721 174.900 -0.227 0.000 1.282 117 G CA -0.289 44.759 45.100 -0.087 0.000 0.930 117 G HN 1.160 nan 8.290 nan 0.000 0.575 118 G N 0.255 108.905 108.800 -0.251 0.000 2.985 118 G HA2 0.471 4.431 3.960 -0.001 0.000 0.282 118 G HA3 0.471 4.431 3.960 -0.001 0.000 0.282 118 G C 1.289 175.692 174.900 -0.829 0.000 0.791 118 G CA 0.348 45.129 45.100 -0.532 0.000 1.934 118 G HN 1.397 nan 8.290 nan 0.000 0.563 119 G N 1.368 109.639 108.800 -0.882 0.000 2.309 119 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.286 119 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.286 119 G C 0.826 175.368 174.900 -0.597 0.000 1.002 119 G CA 0.589 44.890 45.100 -1.332 0.000 0.786 119 G HN 1.245 nan 8.290 nan 0.000 0.511 120 F N -3.686 116.118 119.950 -0.244 0.000 2.748 120 F HA -0.321 4.206 4.527 -0.001 0.000 0.370 120 F C 1.537 177.388 175.800 0.085 0.000 0.620 120 F CA 2.034 59.996 58.000 -0.063 0.000 1.233 120 F CB -2.060 36.756 39.000 -0.307 0.000 1.708 120 F HN 0.818 nan 8.300 nan 0.000 0.298 121 Y N -0.789 119.581 120.300 0.117 0.000 2.444 121 Y HA 0.650 5.199 4.550 -0.001 0.000 0.249 121 Y C 0.734 176.763 175.900 0.215 0.000 1.134 121 Y CA 0.317 58.528 58.100 0.185 0.000 1.261 121 Y CB -0.006 38.497 38.460 0.073 0.000 1.143 121 Y HN 0.099 nan 8.280 nan 0.000 0.523 122 S N -0.776 114.725 115.700 -0.332 0.000 2.688 122 S HA 0.902 5.372 4.470 -0.001 0.000 0.275 122 S C -0.296 174.133 174.600 -0.284 0.000 1.175 122 S CA -0.472 57.598 58.200 -0.217 0.000 0.818 122 S CB 1.548 64.600 63.200 -0.246 0.000 1.157 122 S HN 1.220 nan 8.310 nan 0.000 0.482 123 G N -0.310 108.265 108.800 -0.376 0.000 2.316 123 G HA2 0.449 4.409 3.960 -0.001 0.000 0.468 123 G HA3 0.449 4.409 3.960 -0.001 0.000 0.468 123 G C -1.208 173.011 174.900 -1.136 0.000 1.523 123 G CA -0.318 44.321 45.100 -0.769 0.000 0.972 123 G HN 1.306 nan 8.290 nan 0.000 0.667 124 S N -0.938 114.195 115.700 -0.946 0.000 2.537 124 S HA 0.668 5.137 4.470 -0.001 0.000 0.270 124 S C 0.857 175.432 174.600 -0.041 0.000 1.142 124 S CA 0.061 57.965 58.200 -0.494 0.000 0.870 124 S CB 1.803 64.865 63.200 -0.229 0.000 1.112 124 S HN 1.889 nan 8.310 nan 0.000 0.466 125 S N -0.192 115.634 115.700 0.209 0.000 2.558 125 S HA -0.037 4.433 4.470 -0.001 0.000 0.217 125 S C 1.339 176.048 174.600 0.182 0.000 0.975 125 S CA 0.710 59.160 58.200 0.417 0.000 0.912 125 S CB -0.613 62.864 63.200 0.463 0.000 0.776 125 S HN 0.827 nan 8.310 nan 0.000 0.526 126 T N 0.425 114.901 114.554 -0.132 0.000 3.107 126 T HA 0.383 4.732 4.350 -0.001 0.000 0.249 126 T C 0.613 175.072 174.700 -0.401 0.000 1.096 126 T CA -0.488 61.236 62.100 -0.627 0.000 1.012 126 T CB -0.567 67.867 68.868 -0.723 0.000 0.977 126 T HN 0.312 nan 8.240 nan 0.000 0.527 127 L N 1.975 123.060 121.223 -0.229 0.000 2.499 127 L HA 0.127 4.466 4.340 -0.001 0.000 0.281 127 L C 1.277 177.942 176.870 -0.342 0.000 1.234 127 L CA -0.390 54.228 54.840 -0.369 0.000 0.839 127 L CB 0.306 41.946 42.059 -0.699 0.000 1.104 127 L HN 0.072 nan 8.230 nan 0.000 0.500 128 D N 0.964 121.159 120.400 -0.341 0.000 2.144 128 D HA -0.127 4.513 4.640 -0.001 0.000 0.199 128 D C 1.968 178.067 176.300 -0.336 0.000 0.984 128 D CA 1.218 55.068 54.000 -0.249 0.000 0.834 128 D CB -0.025 40.640 40.800 -0.225 0.000 0.955 128 D HN 0.531 nan 8.370 nan 0.000 0.465 129 V N -1.461 118.114 119.914 -0.565 0.000 3.141 129 V HA -0.127 3.992 4.120 -0.001 0.000 0.265 129 V C 1.177 176.853 176.094 -0.696 0.000 1.126 129 V CA 0.945 62.875 62.300 -0.616 0.000 1.141 129 V CB -1.041 30.303 31.823 -0.799 0.000 0.743 129 V HN 0.038 nan 8.190 nan 0.000 0.492 130 Y N 0.544 120.415 120.300 -0.715 0.000 2.532 130 Y HA 0.414 4.964 4.550 -0.001 0.000 0.283 130 Y C 1.123 176.657 175.900 -0.610 0.000 1.181 130 Y CA -1.574 55.905 58.100 -1.035 0.000 1.256 130 Y CB -0.954 37.169 38.460 -0.561 0.000 1.112 130 Y HN 0.295 nan 8.280 nan 0.000 0.521 131 N N 1.360 119.899 118.700 -0.268 0.000 2.406 131 N HA -0.006 4.734 4.740 -0.001 0.000 0.269 131 N C 1.370 176.568 175.510 -0.520 0.000 1.210 131 N CA 0.412 53.260 53.050 -0.336 0.000 0.966 131 N CB 0.917 39.341 38.487 -0.105 0.000 1.293 131 N HN 0.476 nan 8.380 nan 0.000 0.491 132 G N 3.273 111.379 108.800 -1.157 0.000 2.653 132 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.212 132 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.212 132 G C 1.500 176.035 174.900 -0.608 0.000 1.138 132 G CA 0.604 45.313 45.100 -0.652 0.000 0.782 132 G HN 0.742 nan 8.290 nan 0.000 0.535 133 K N -0.430 119.391 120.400 -0.965 0.000 2.097 133 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 133 K C 1.789 178.226 176.600 -0.272 0.000 1.049 133 K CA 1.243 57.228 56.287 -0.502 0.000 0.933 133 K CB -0.535 31.655 32.500 -0.517 0.000 0.717 133 K HN 0.361 nan 8.250 nan 0.000 0.442 134 Y N 0.836 121.062 120.300 -0.123 0.000 2.293 134 Y HA -0.100 4.450 4.550 -0.001 0.000 0.291 134 Y C 2.269 178.180 175.900 0.017 0.000 1.137 134 Y CA 0.537 58.611 58.100 -0.043 0.000 1.202 134 Y CB -0.279 38.124 38.460 -0.095 0.000 0.990 134 Y HN 0.046 nan 8.280 nan 0.000 0.537 135 L N 0.019 121.299 121.223 0.094 0.000 2.068 135 L HA 0.020 4.360 4.340 -0.001 0.000 0.204 135 L C 2.376 179.287 176.870 0.068 0.000 1.076 135 L CA 1.722 56.576 54.840 0.023 0.000 0.753 135 L CB -1.264 40.723 42.059 -0.121 0.000 0.910 135 L HN 0.124 nan 8.230 nan 0.000 0.439 136 A N -1.010 121.870 122.820 0.100 0.000 1.851 136 A HA -0.332 3.988 4.320 -0.001 0.000 0.216 136 A C 2.335 180.013 177.584 0.157 0.000 1.195 136 A CA 2.130 54.262 52.037 0.159 0.000 0.622 136 A CB -1.431 17.723 19.000 0.258 0.000 0.831 136 A HN 0.595 nan 8.150 nan 0.000 0.444 137 Y N 1.155 121.486 120.300 0.051 0.000 2.053 137 Y HA -0.261 4.289 4.550 -0.001 0.000 0.277 137 Y C 2.731 178.657 175.900 0.043 0.000 1.159 137 Y CA 2.803 60.930 58.100 0.045 0.000 1.125 137 Y CB -0.854 37.611 38.460 0.009 0.000 0.969 137 Y HN 0.317 nan 8.280 nan 0.000 0.492 138 T N 0.355 115.019 114.554 0.184 0.000 2.759 138 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 138 T C 1.137 175.823 174.700 -0.024 0.000 1.042 138 T CA 1.755 63.887 62.100 0.053 0.000 1.140 138 T CB -0.132 68.825 68.868 0.148 0.000 0.864 138 T HN 0.409 nan 8.240 nan 0.000 0.455 139 E N 0.379 120.589 120.200 0.017 0.000 2.548 139 E HA 0.168 4.518 4.350 -0.001 0.000 0.206 139 E C -0.256 176.357 176.600 0.022 0.000 1.005 139 E CA -0.059 56.364 56.400 0.037 0.000 0.951 139 E CB 0.357 30.098 29.700 0.068 0.000 1.035 139 E HN 0.483 nan 8.360 nan 0.000 0.470 140 E N 0.355 120.552 120.200 -0.005 0.000 2.197 140 E HA -0.188 4.161 4.350 -0.001 0.000 0.184 140 E C -0.426 176.200 176.600 0.044 0.000 1.439 140 E CA 0.626 57.032 56.400 0.010 0.000 0.688 140 E CB -1.296 28.395 29.700 -0.014 0.000 1.090 140 E HN 0.198 nan 8.360 nan 0.000 0.341 141 V N -3.181 116.774 119.914 0.069 0.000 3.040 141 V HA 0.724 4.844 4.120 -0.001 0.000 0.312 141 V C 0.241 176.411 176.094 0.126 0.000 1.115 141 V CA -1.186 61.160 62.300 0.076 0.000 0.998 141 V CB 2.391 34.244 31.823 0.051 0.000 1.042 141 V HN -0.049 nan 8.190 nan 0.000 0.433 142 V N 4.196 124.191 119.914 0.134 0.000 2.461 142 V HA 0.384 4.503 4.120 -0.001 0.000 0.275 142 V C -0.055 176.166 176.094 0.213 0.000 1.047 142 V CA -0.371 62.037 62.300 0.181 0.000 0.955 142 V CB 1.225 33.139 31.823 0.151 0.000 0.988 142 V HN 0.782 nan 8.190 nan 0.000 0.471 143 L N 6.867 128.277 121.223 0.312 0.000 2.325 143 L HA 0.646 4.986 4.340 -0.001 0.000 0.281 143 L C -0.750 176.415 176.870 0.493 0.000 1.004 143 L CA -0.201 54.884 54.840 0.408 0.000 0.823 143 L CB 1.908 44.239 42.059 0.452 0.000 1.236 143 L HN 0.421 nan 8.230 nan 0.000 0.415 144 V N 3.474 123.650 119.914 0.437 0.000 2.555 144 V HA 0.578 4.698 4.120 -0.001 0.000 0.302 144 V C -0.054 176.333 176.094 0.487 0.000 1.038 144 V CA -0.573 61.948 62.300 0.369 0.000 0.887 144 V CB 2.165 34.126 31.823 0.230 0.000 0.991 144 V HN 0.896 nan 8.190 nan 0.000 0.434 145 S N 4.827 120.823 115.700 0.493 0.000 2.561 145 S HA 0.827 5.297 4.470 -0.001 0.000 0.303 145 S C -0.836 173.981 174.600 0.362 0.000 1.110 145 S CA -0.765 57.752 58.200 0.529 0.000 1.034 145 S CB 1.518 65.147 63.200 0.716 0.000 1.010 145 S HN 0.723 nan 8.310 nan 0.000 0.482 146 L N 0.927 122.306 121.223 0.259 0.000 2.492 146 L HA 1.007 5.347 4.340 -0.001 0.000 0.263 146 L C -0.002 177.020 176.870 0.254 0.000 1.062 146 L CA -0.687 54.292 54.840 0.231 0.000 0.817 146 L CB 0.588 42.696 42.059 0.081 0.000 1.441 146 L HN 0.862 nan 8.230 nan 0.000 0.493 147 S N -1.313 114.601 115.700 0.356 0.000 2.546 147 S HA 0.844 5.313 4.470 -0.001 0.000 0.274 147 S C -1.203 173.624 174.600 0.379 0.000 1.121 147 S CA -0.613 57.775 58.200 0.313 0.000 0.887 147 S CB 1.303 64.737 63.200 0.390 0.000 1.094 147 S HN 1.032 nan 8.310 nan 0.000 0.474 148 Y N -0.965 119.442 120.300 0.178 0.000 2.615 148 Y HA 0.723 5.273 4.550 -0.001 0.000 0.341 148 Y C -0.477 175.577 175.900 0.256 0.000 1.089 148 Y CA -1.530 56.691 58.100 0.202 0.000 1.049 148 Y CB 0.808 39.347 38.460 0.132 0.000 1.296 148 Y HN 0.726 nan 8.280 nan 0.000 0.470 149 R N 1.701 122.381 120.500 0.299 0.000 2.489 149 R HA 0.494 4.834 4.340 -0.001 0.000 0.287 149 R C -0.281 176.240 176.300 0.370 0.000 1.053 149 R CA -0.280 55.955 56.100 0.226 0.000 1.036 149 R CB 0.805 31.202 30.300 0.162 0.000 0.966 149 R HN 0.692 nan 8.270 nan 0.000 0.432 150 V N 0.293 120.434 119.914 0.378 0.000 3.177 150 V HA 0.866 4.985 4.120 -0.001 0.000 0.319 150 V C 0.848 177.305 176.094 0.606 0.000 1.125 150 V CA -0.172 62.464 62.300 0.561 0.000 1.029 150 V CB 1.097 33.125 31.823 0.343 0.000 1.119 150 V HN 0.970 nan 8.190 nan 0.000 0.452 151 G N 0.383 109.563 108.800 0.634 0.000 2.598 151 G HA2 0.010 3.970 3.960 -0.001 0.000 0.269 151 G HA3 0.010 3.970 3.960 -0.001 0.000 0.269 151 G C 1.013 176.140 174.900 0.380 0.000 1.289 151 G CA 0.931 46.357 45.100 0.543 0.000 0.926 151 G HN 2.173 nan 8.290 nan 0.000 0.567 152 A N -1.350 121.436 122.820 -0.057 0.000 1.940 152 A HA 0.154 4.473 4.320 -0.001 0.000 0.219 152 A C 2.239 179.658 177.584 -0.275 0.000 1.176 152 A CA 2.625 54.228 52.037 -0.724 0.000 0.631 152 A CB -0.529 17.842 19.000 -1.048 0.000 0.814 152 A HN 0.984 nan 8.150 nan 0.000 0.446 153 F N -0.095 119.947 119.950 0.153 0.000 2.250 153 F HA -0.014 4.513 4.527 -0.001 0.000 0.301 153 F C 2.411 178.283 175.800 0.119 0.000 1.077 153 F CA 1.185 59.295 58.000 0.184 0.000 1.348 153 F CB -0.532 38.525 39.000 0.095 0.000 1.040 153 F HN 0.298 nan 8.300 nan 0.000 0.509 154 G N -2.455 106.478 108.800 0.221 0.000 2.781 154 G HA2 0.073 4.032 3.960 -0.001 0.000 0.208 154 G HA3 0.073 4.032 3.960 -0.001 0.000 0.208 154 G C 0.729 175.237 174.900 -0.653 0.000 1.099 154 G CA 0.041 45.042 45.100 -0.165 0.000 0.776 154 G HN 0.318 nan 8.290 nan 0.000 0.532 155 F N 0.105 120.114 119.950 0.098 0.000 2.772 155 F HA 0.460 4.986 4.527 -0.001 0.000 0.316 155 F C 0.398 176.181 175.800 -0.027 0.000 1.114 155 F CA -0.875 57.148 58.000 0.039 0.000 1.191 155 F CB 0.556 39.598 39.000 0.070 0.000 1.065 155 F HN -0.086 nan 8.300 nan 0.000 0.534 156 L N 2.064 123.195 121.223 -0.153 0.000 2.455 156 L HA 0.537 4.877 4.340 -0.001 0.000 0.272 156 L C 0.098 176.859 176.870 -0.182 0.000 1.174 156 L CA 0.044 54.654 54.840 -0.385 0.000 0.869 156 L CB 0.656 42.183 42.059 -0.887 0.000 1.130 156 L HN 0.143 nan 8.230 nan 0.000 0.474 157 A N 6.931 129.712 122.820 -0.065 0.000 2.466 157 A HA 0.546 4.866 4.320 -0.001 0.000 0.291 157 A C -0.846 176.739 177.584 0.002 0.000 1.234 157 A CA -0.485 51.546 52.037 -0.010 0.000 0.752 157 A CB 0.514 19.549 19.000 0.057 0.000 1.153 157 A HN 0.708 nan 8.150 nan 0.000 0.458 158 L N 3.509 124.722 121.223 -0.016 0.000 2.475 158 L HA 0.236 4.575 4.340 -0.001 0.000 0.253 158 L C 0.289 177.200 176.870 0.069 0.000 1.137 158 L CA -0.768 54.078 54.840 0.010 0.000 1.058 158 L CB -0.095 41.944 42.059 -0.034 0.000 1.382 158 L HN 0.812 nan 8.230 nan 0.000 0.416 159 H N 2.155 121.222 119.070 -0.004 0.000 3.192 159 H HA 0.204 4.760 4.556 -0.001 0.000 0.295 159 H C 1.139 176.473 175.328 0.010 0.000 0.943 159 H CA 1.353 57.407 56.048 0.010 0.000 1.416 159 H CB 0.548 30.321 29.762 0.017 0.000 1.434 159 H HN 0.709 nan 8.280 nan 0.000 0.565 160 G N 2.688 111.249 108.800 -0.398 0.000 2.307 160 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.210 160 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.210 160 G C 0.513 175.328 174.900 -0.141 0.000 1.005 160 G CA 0.153 45.063 45.100 -0.317 0.000 0.634 160 G HN 0.863 nan 8.290 nan 0.000 0.496 161 S N 0.043 115.696 115.700 -0.077 0.000 2.632 161 S HA 0.598 5.068 4.470 -0.001 0.000 0.267 161 S C 1.348 175.935 174.600 -0.023 0.000 1.276 161 S CA 1.497 59.678 58.200 -0.032 0.000 0.998 161 S CB 1.493 64.689 63.200 -0.008 0.000 0.953 161 S HN 1.512 nan 8.310 nan 0.000 0.547 162 Q N 0.914 120.713 119.800 -0.001 0.000 2.280 162 Q HA 0.270 4.609 4.340 -0.001 0.000 0.228 162 Q C 1.432 177.454 176.000 0.036 0.000 0.857 162 Q CA 0.151 55.961 55.803 0.012 0.000 0.939 162 Q CB -0.309 28.434 28.738 0.008 0.000 1.114 162 Q HN 0.796 nan 8.270 nan 0.000 0.514 163 E N 0.265 120.493 120.200 0.046 0.000 2.170 163 E HA 0.226 4.576 4.350 -0.001 0.000 0.191 163 E C 0.421 177.095 176.600 0.122 0.000 0.981 163 E CA 1.114 57.564 56.400 0.083 0.000 0.830 163 E CB 0.753 30.506 29.700 0.089 0.000 0.775 163 E HN 0.603 nan 8.360 nan 0.000 0.470 164 A N 1.741 124.605 122.820 0.074 0.000 3.156 164 A HA 0.294 4.614 4.320 -0.001 0.000 0.311 164 A C -2.115 175.475 177.584 0.011 0.000 1.129 164 A CA -0.915 51.148 52.037 0.042 0.000 0.809 164 A CB 0.821 19.763 19.000 -0.096 0.000 1.257 164 A HN -0.122 nan 8.150 nan 0.000 0.491 165 P HA 0.171 nan 4.420 nan 0.000 0.227 165 P C 0.886 178.239 177.300 0.087 0.000 1.161 165 P CA 1.665 64.802 63.100 0.062 0.000 0.788 165 P CB 0.338 32.074 31.700 0.061 0.000 0.822 166 G N 0.547 109.370 108.800 0.038 0.000 2.663 166 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.686 166 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.686 166 G C -0.071 174.824 174.900 -0.009 0.000 1.288 166 G CA -0.249 44.868 45.100 0.028 0.000 0.836 166 G HN 0.091 nan 8.290 nan 0.000 0.584 167 N N -2.460 116.221 118.700 -0.032 0.000 2.809 167 N HA -0.291 4.449 4.740 -0.001 0.000 0.244 167 N C 2.007 177.348 175.510 -0.281 0.000 1.018 167 N CA 2.670 55.629 53.050 -0.152 0.000 0.917 167 N CB -1.472 36.897 38.487 -0.197 0.000 1.130 167 N HN 1.977 nan 8.380 nan 0.000 0.591 168 V N -2.409 117.360 119.914 -0.242 0.000 3.026 168 V HA 0.023 4.142 4.120 -0.001 0.000 0.265 168 V C 2.099 178.043 176.094 -0.249 0.000 1.121 168 V CA 2.303 64.501 62.300 -0.170 0.000 1.142 168 V CB -0.723 31.061 31.823 -0.065 0.000 0.730 168 V HN 0.304 nan 8.190 nan 0.000 0.503 169 G N -0.153 108.265 108.800 -0.637 0.000 2.551 169 G HA2 0.022 3.981 3.960 -0.001 0.000 0.216 169 G HA3 0.022 3.981 3.960 -0.001 0.000 0.216 169 G C 1.440 176.238 174.900 -0.170 0.000 1.137 169 G CA 0.665 45.471 45.100 -0.489 0.000 0.798 169 G HN 0.528 nan 8.290 nan 0.000 0.536 170 L N -0.061 121.024 121.223 -0.230 0.000 2.179 170 L HA 0.178 4.517 4.340 -0.001 0.000 0.208 170 L C 2.659 179.579 176.870 0.082 0.000 1.096 170 L CA 0.275 55.016 54.840 -0.166 0.000 0.779 170 L CB -0.145 41.512 42.059 -0.670 0.000 0.922 170 L HN 0.178 nan 8.230 nan 0.000 0.443 171 L N -0.692 120.568 121.223 0.062 0.000 2.156 171 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 171 L C 1.988 178.935 176.870 0.129 0.000 1.095 171 L CA 0.701 55.636 54.840 0.157 0.000 0.770 171 L CB -0.518 41.612 42.059 0.118 0.000 0.914 171 L HN 0.240 nan 8.230 nan 0.000 0.439 172 D N -0.025 120.456 120.400 0.134 0.000 2.117 172 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 172 D C 2.298 178.661 176.300 0.105 0.000 0.982 172 D CA 1.077 55.234 54.000 0.262 0.000 0.828 172 D CB -0.064 40.953 40.800 0.362 0.000 0.967 172 D HN 0.353 nan 8.370 nan 0.000 0.464 173 Q N 0.100 119.935 119.800 0.058 0.000 2.050 173 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 173 Q C 2.295 178.195 176.000 -0.165 0.000 0.980 173 Q CA 0.914 56.680 55.803 -0.062 0.000 0.840 173 Q CB -0.011 28.742 28.738 0.024 0.000 0.898 173 Q HN 0.165 nan 8.270 nan 0.000 0.424 174 R N 0.495 120.974 120.500 -0.036 0.000 2.083 174 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 174 R C 2.257 178.485 176.300 -0.120 0.000 1.137 174 R CA 1.715 57.760 56.100 -0.092 0.000 0.951 174 R CB -0.195 30.148 30.300 0.072 0.000 0.851 174 R HN 0.244 nan 8.270 nan 0.000 0.434 175 M N -0.099 119.444 119.600 -0.094 0.000 2.202 175 M HA -0.135 4.345 4.480 -0.001 0.000 0.262 175 M C 1.914 178.023 176.300 -0.319 0.000 1.063 175 M CA 2.106 57.350 55.300 -0.093 0.000 1.097 175 M CB 0.015 32.661 32.600 0.076 0.000 1.382 175 M HN 0.251 nan 8.290 nan 0.000 0.413 176 A N -0.440 121.927 122.820 -0.755 0.000 2.016 176 A HA 0.032 4.351 4.320 -0.001 0.000 0.217 176 A C 2.014 179.444 177.584 -0.257 0.000 1.162 176 A CA 0.895 52.400 52.037 -0.887 0.000 0.662 176 A CB -0.747 17.498 19.000 -1.258 0.000 0.812 176 A HN 0.559 nan 8.150 nan 0.000 0.450 177 L N -1.096 120.006 121.223 -0.203 0.000 2.072 177 L HA -0.189 4.150 4.340 -0.001 0.000 0.205 177 L C 2.819 179.705 176.870 0.027 0.000 1.079 177 L CA 1.555 56.351 54.840 -0.073 0.000 0.752 177 L CB -0.365 41.606 42.059 -0.146 0.000 0.906 177 L HN 0.441 nan 8.230 nan 0.000 0.436 178 Q N -0.263 119.537 119.800 0.001 0.000 2.030 178 Q HA -0.275 4.064 4.340 -0.001 0.000 0.204 178 Q C 1.985 178.082 176.000 0.161 0.000 0.986 178 Q CA 2.138 57.972 55.803 0.052 0.000 0.843 178 Q CB -0.605 28.152 28.738 0.032 0.000 0.904 178 Q HN 0.465 nan 8.270 nan 0.000 0.420 179 W N -0.650 120.640 121.300 -0.018 0.000 2.358 179 W HA -0.173 4.486 4.660 -0.001 0.000 0.303 179 W C 1.879 178.434 176.519 0.060 0.000 1.208 179 W CA 1.638 59.007 57.345 0.039 0.000 1.274 179 W CB -0.108 29.379 29.460 0.045 0.000 1.138 179 W HN 0.028 nan 8.180 nan 0.000 0.515 180 V N -0.154 120.024 119.914 0.440 0.000 2.407 180 V HA -0.372 3.748 4.120 -0.001 0.000 0.248 180 V C 2.454 178.624 176.094 0.127 0.000 1.055 180 V CA 2.309 64.802 62.300 0.320 0.000 1.049 180 V CB -1.266 30.696 31.823 0.232 0.000 0.662 180 V HN 0.351 nan 8.190 nan 0.000 0.455 181 H N 0.323 119.400 119.070 0.013 0.000 2.293 181 H HA -0.176 4.379 4.556 -0.001 0.000 0.300 181 H C 1.894 177.152 175.328 -0.116 0.000 1.082 181 H CA 2.004 58.027 56.048 -0.042 0.000 1.308 181 H CB 0.088 29.832 29.762 -0.030 0.000 1.375 181 H HN 0.397 nan 8.280 nan 0.000 0.495 182 D N -0.325 120.040 120.400 -0.058 0.000 2.347 182 D HA -0.041 4.599 4.640 -0.001 0.000 0.215 182 D C 0.880 176.992 176.300 -0.313 0.000 0.976 182 D CA 0.597 54.484 54.000 -0.188 0.000 0.884 182 D CB 0.034 40.752 40.800 -0.138 0.000 0.915 182 D HN 0.461 nan 8.370 nan 0.000 0.526 183 N N -0.516 117.943 118.700 -0.402 0.000 2.011 183 N HA 0.027 4.767 4.740 -0.001 0.000 0.228 183 N C 1.179 176.612 175.510 -0.128 0.000 1.378 183 N CA -0.110 52.726 53.050 -0.356 0.000 0.852 183 N CB 1.044 39.041 38.487 -0.815 0.000 1.111 183 N HN 0.017 nan 8.380 nan 0.000 0.497 184 I N 2.880 123.398 120.570 -0.087 0.000 2.916 184 I HA -0.195 3.974 4.170 -0.001 0.000 0.267 184 I C 2.454 178.576 176.117 0.008 0.000 1.263 184 I CA 1.211 62.579 61.300 0.112 0.000 1.471 184 I CB -0.022 38.018 38.000 0.067 0.000 1.089 184 I HN 0.162 nan 8.210 nan 0.000 0.468 185 Q N -0.710 118.891 119.800 -0.331 0.000 2.167 185 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 185 Q C 1.741 177.512 176.000 -0.382 0.000 0.970 185 Q CA 1.528 57.080 55.803 -0.419 0.000 0.855 185 Q CB -0.817 27.543 28.738 -0.630 0.000 0.911 185 Q HN 0.410 nan 8.270 nan 0.000 0.438 186 F N -0.194 119.690 119.950 -0.109 0.000 2.604 186 F HA 0.085 4.611 4.527 -0.001 0.000 0.298 186 F C 1.032 176.613 175.800 -0.364 0.000 1.131 186 F CA 0.336 58.173 58.000 -0.272 0.000 1.457 186 F CB -0.169 38.569 39.000 -0.436 0.000 1.095 186 F HN 0.001 nan 8.300 nan 0.000 0.574 187 F N -0.915 119.039 119.950 0.008 0.000 2.721 187 F HA 0.417 4.943 4.527 -0.001 0.000 0.301 187 F C 1.861 177.670 175.800 0.014 0.000 1.096 187 F CA 0.549 58.535 58.000 -0.024 0.000 1.308 187 F CB 0.270 39.238 39.000 -0.055 0.000 1.086 187 F HN 0.000 nan 8.300 nan 0.000 0.587 188 G N 0.018 108.907 108.800 0.148 0.000 2.192 188 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.193 188 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.193 188 G C 0.495 175.439 174.900 0.073 0.000 0.999 188 G CA -0.439 44.719 45.100 0.096 0.000 0.659 188 G HN 0.648 nan 8.290 nan 0.000 0.503 189 G N -0.413 108.433 108.800 0.077 0.000 2.477 189 G HA2 0.511 4.470 3.960 -0.001 0.000 0.304 189 G HA3 0.511 4.470 3.960 -0.001 0.000 0.304 189 G C -1.013 173.876 174.900 -0.018 0.000 1.175 189 G CA 0.253 45.380 45.100 0.045 0.000 0.907 189 G HN 0.241 nan 8.290 nan 0.000 0.509 190 D N 0.702 121.091 120.400 -0.019 0.000 2.427 190 D HA 0.285 4.924 4.640 -0.001 0.000 0.226 190 D C -1.338 174.930 176.300 -0.053 0.000 1.076 190 D CA -2.440 51.529 54.000 -0.053 0.000 0.849 190 D CB 1.907 42.684 40.800 -0.038 0.000 1.052 190 D HN 0.060 nan 8.370 nan 0.000 0.515 191 P HA -0.078 nan 4.420 nan 0.000 0.236 191 P C 0.308 177.582 177.300 -0.043 0.000 1.172 191 P CA 0.448 63.484 63.100 -0.107 0.000 0.759 191 P CB 0.346 31.863 31.700 -0.305 0.000 0.843 192 K N -1.222 119.154 120.400 -0.040 0.000 2.374 192 K HA 0.193 4.512 4.320 -0.001 0.000 0.202 192 K C 0.416 177.012 176.600 -0.007 0.000 1.040 192 K CA 0.284 56.563 56.287 -0.013 0.000 1.085 192 K CB 0.421 32.899 32.500 -0.036 0.000 0.873 192 K HN -0.028 nan 8.250 nan 0.000 0.539 193 T N 1.307 115.860 114.554 -0.002 0.000 3.624 193 T HA 0.236 4.585 4.350 -0.001 0.000 0.244 193 T C -0.697 174.019 174.700 0.027 0.000 1.063 193 T CA -0.190 61.907 62.100 -0.006 0.000 1.252 193 T CB 0.574 69.425 68.868 -0.028 0.000 1.021 193 T HN -0.289 nan 8.240 nan 0.000 0.590 194 V N 2.222 122.180 119.914 0.073 0.000 2.350 194 V HA 0.404 4.524 4.120 -0.001 0.000 0.276 194 V C 0.426 176.619 176.094 0.165 0.000 1.028 194 V CA -0.441 61.932 62.300 0.122 0.000 0.860 194 V CB 1.486 33.407 31.823 0.163 0.000 0.990 194 V HN 0.440 nan 8.190 nan 0.000 0.453 195 T N 6.896 121.531 114.554 0.135 0.000 2.743 195 T HA 0.508 4.857 4.350 -0.001 0.000 0.292 195 T C 0.026 174.845 174.700 0.198 0.000 0.972 195 T CA -0.120 62.075 62.100 0.159 0.000 0.967 195 T CB 0.363 69.280 68.868 0.082 0.000 0.926 195 T HN 0.610 nan 8.240 nan 0.000 0.459 196 I N 2.349 123.011 120.570 0.153 0.000 2.342 196 I HA 0.731 4.900 4.170 -0.001 0.000 0.291 196 I C -0.645 175.623 176.117 0.251 0.000 1.010 196 I CA -0.841 60.532 61.300 0.120 0.000 1.308 196 I CB 0.358 38.237 38.000 -0.201 0.000 1.400 196 I HN 0.372 nan 8.210 nan 0.000 0.488 197 F N 4.037 124.032 119.950 0.075 0.000 2.563 197 F HA 1.024 5.551 4.527 -0.001 0.000 0.316 197 F C -0.240 175.530 175.800 -0.049 0.000 1.076 197 F CA -1.755 56.318 58.000 0.123 0.000 0.921 197 F CB 1.332 40.524 39.000 0.319 0.000 1.209 197 F HN 0.754 nan 8.300 nan 0.000 0.462 198 G N 1.284 109.945 108.800 -0.232 0.000 2.677 198 G HA2 0.475 4.434 3.960 -0.001 0.000 0.291 198 G HA3 0.475 4.434 3.960 -0.001 0.000 0.291 198 G C -2.437 172.237 174.900 -0.377 0.000 1.435 198 G CA -0.807 43.828 45.100 -0.776 0.000 0.826 198 G HN 0.831 nan 8.290 nan 0.000 0.491 199 E N 0.514 120.447 120.200 -0.446 0.000 2.199 199 E HA 0.602 4.952 4.350 -0.001 0.000 0.269 199 E C 0.676 177.205 176.600 -0.119 0.000 0.899 199 E CA 0.303 56.662 56.400 -0.069 0.000 0.772 199 E CB 2.000 31.814 29.700 0.191 0.000 1.155 199 E HN 0.800 nan 8.360 nan 0.000 0.408 200 S N 3.230 118.908 115.700 -0.035 0.000 4.151 200 S HA -0.387 4.082 4.470 -0.001 0.000 0.603 200 S C 1.389 176.051 174.600 0.103 0.000 1.878 200 S CA 1.948 60.193 58.200 0.074 0.000 4.246 200 S CB -1.629 61.554 63.200 -0.027 0.000 0.211 200 S HN 0.893 nan 8.310 nan 0.000 0.469 201 A N 1.250 123.997 122.820 -0.122 0.000 2.119 201 A HA 0.348 4.668 4.320 -0.001 0.000 0.217 201 A C 2.293 179.630 177.584 -0.412 0.000 1.153 201 A CA 1.929 53.703 52.037 -0.438 0.000 0.692 201 A CB -1.248 17.096 19.000 -1.093 0.000 0.799 201 A HN 1.443 nan 8.150 nan 0.000 0.458 202 G N -0.506 108.124 108.800 -0.283 0.000 2.408 202 G HA2 0.136 4.095 3.960 -0.001 0.000 0.215 202 G HA3 0.136 4.095 3.960 -0.001 0.000 0.215 202 G C 1.430 176.169 174.900 -0.268 0.000 1.156 202 G CA 0.979 45.883 45.100 -0.327 0.000 0.793 202 G HN 0.598 nan 8.290 nan 0.000 0.535 203 G N 0.836 109.520 108.800 -0.193 0.000 2.448 203 G HA2 0.156 4.115 3.960 -0.001 0.000 0.218 203 G HA3 0.156 4.115 3.960 -0.001 0.000 0.218 203 G C 1.886 176.678 174.900 -0.179 0.000 1.135 203 G CA 1.337 46.349 45.100 -0.147 0.000 0.784 203 G HN 0.576 nan 8.290 nan 0.000 0.543 204 A N 0.653 123.384 122.820 -0.148 0.000 1.930 204 A HA 0.148 4.468 4.320 -0.001 0.000 0.215 204 A C 2.660 180.178 177.584 -0.110 0.000 1.176 204 A CA 1.913 53.845 52.037 -0.176 0.000 0.632 204 A CB -0.402 18.502 19.000 -0.160 0.000 0.819 204 A HN 0.266 nan 8.150 nan 0.000 0.445 205 S N -0.288 115.362 115.700 -0.083 0.000 2.348 205 S HA -0.135 4.335 4.470 -0.001 0.000 0.221 205 S C 1.939 176.427 174.600 -0.185 0.000 1.033 205 S CA 1.372 59.497 58.200 -0.125 0.000 1.010 205 S CB -0.545 62.557 63.200 -0.162 0.000 0.891 205 S HN 0.321 nan 8.310 nan 0.000 0.442 206 V N 1.750 121.579 119.914 -0.140 0.000 2.220 206 V HA -0.257 3.863 4.120 -0.001 0.000 0.250 206 V C 2.617 178.646 176.094 -0.109 0.000 1.056 206 V CA 2.211 64.437 62.300 -0.124 0.000 1.016 206 V CB -1.490 30.248 31.823 -0.143 0.000 0.639 206 V HN 0.620 nan 8.190 nan 0.000 0.446 207 G N -1.376 107.319 108.800 -0.175 0.000 2.479 207 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.220 207 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.220 207 G C 1.463 176.354 174.900 -0.015 0.000 1.115 207 G CA 0.985 45.972 45.100 -0.188 0.000 0.757 207 G HN 0.513 nan 8.290 nan 0.000 0.560 208 M N -0.502 119.093 119.600 -0.008 0.000 2.514 208 M HA 0.152 4.632 4.480 -0.001 0.000 0.258 208 M C 1.914 178.308 176.300 0.157 0.000 1.119 208 M CA 0.440 55.859 55.300 0.197 0.000 1.111 208 M CB 0.069 32.834 32.600 0.275 0.000 1.390 208 M HN 0.129 nan 8.290 nan 0.000 0.475 209 H N -0.008 119.171 119.070 0.182 0.000 2.482 209 H HA 0.160 4.715 4.556 -0.001 0.000 0.286 209 H C 2.017 177.555 175.328 0.350 0.000 1.017 209 H CA 1.047 57.200 56.048 0.174 0.000 1.322 209 H CB 0.136 29.888 29.762 -0.017 0.000 1.426 209 H HN 0.364 nan 8.280 nan 0.000 0.546 210 I N 0.488 121.347 120.570 0.482 0.000 2.614 210 I HA -0.183 3.986 4.170 -0.001 0.000 0.258 210 I C 1.812 178.182 176.117 0.421 0.000 1.189 210 I CA 0.812 62.444 61.300 0.554 0.000 1.462 210 I CB 0.115 38.385 38.000 0.450 0.000 1.092 210 I HN 0.134 nan 8.210 nan 0.000 0.442 211 L N -1.122 120.306 121.223 0.341 0.000 2.362 211 L HA 0.095 4.435 4.340 -0.001 0.000 0.204 211 L C 1.419 178.394 176.870 0.176 0.000 1.060 211 L CA 0.068 55.102 54.840 0.322 0.000 0.827 211 L CB -0.087 42.196 42.059 0.373 0.000 1.027 211 L HN 0.001 nan 8.230 nan 0.000 0.474 212 S N 0.585 116.303 115.700 0.030 0.000 2.515 212 S HA 0.074 4.544 4.470 -0.001 0.000 0.285 212 S C -1.535 172.953 174.600 -0.187 0.000 1.265 212 S CA -1.211 56.812 58.200 -0.296 0.000 1.079 212 S CB 0.952 63.545 63.200 -1.012 0.000 0.877 212 S HN -0.092 nan 8.310 nan 0.000 0.493 213 P HA -0.057 nan 4.420 nan 0.000 0.215 213 P C 1.354 178.569 177.300 -0.142 0.000 1.157 213 P CA 1.284 64.316 63.100 -0.114 0.000 0.874 213 P CB -0.150 31.488 31.700 -0.103 0.000 0.790 214 G N -1.720 106.952 108.800 -0.212 0.000 2.807 214 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.207 214 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.207 214 G C 1.183 175.991 174.900 -0.153 0.000 1.151 214 G CA 0.504 45.493 45.100 -0.184 0.000 0.800 214 G HN 0.226 nan 8.290 nan 0.000 0.523 215 S N -0.877 114.757 115.700 -0.110 0.000 2.619 215 S HA 0.108 4.577 4.470 -0.001 0.000 0.238 215 S C 2.166 176.818 174.600 0.087 0.000 1.068 215 S CA -0.483 57.731 58.200 0.023 0.000 0.926 215 S CB 0.271 63.595 63.200 0.207 0.000 0.864 215 S HN 0.383 nan 8.310 nan 0.000 0.493 216 R N 2.014 122.517 120.500 0.006 0.000 2.133 216 R HA -0.130 4.210 4.340 -0.001 0.000 0.247 216 R C 0.865 176.923 176.300 -0.403 0.000 1.151 216 R CA 1.746 57.733 56.100 -0.189 0.000 0.971 216 R CB -0.500 29.733 30.300 -0.112 0.000 0.866 216 R HN 0.303 nan 8.270 nan 0.000 0.447 217 D N 0.586 120.837 120.400 -0.249 0.000 2.312 217 D HA -0.045 4.594 4.640 -0.001 0.000 0.211 217 D C 1.561 177.695 176.300 -0.277 0.000 0.964 217 D CA 0.795 54.646 54.000 -0.248 0.000 0.877 217 D CB 0.017 40.700 40.800 -0.195 0.000 0.924 217 D HN 0.246 nan 8.370 nan 0.000 0.515 218 L N -0.147 120.936 121.223 -0.235 0.000 2.599 218 L HA 0.125 4.464 4.340 -0.001 0.000 0.230 218 L C -0.028 176.911 176.870 0.116 0.000 1.141 218 L CA -0.032 54.721 54.840 -0.145 0.000 0.877 218 L CB -0.445 41.567 42.059 -0.078 0.000 1.009 218 L HN -0.047 nan 8.230 nan 0.000 0.447 219 F N -4.596 115.343 119.950 -0.019 0.000 2.678 219 F HA 0.572 5.099 4.527 -0.001 0.000 0.308 219 F C 0.368 176.189 175.800 0.036 0.000 1.118 219 F CA -1.374 56.641 58.000 0.025 0.000 0.959 219 F CB 1.177 40.191 39.000 0.024 0.000 1.305 219 F HN -0.411 nan 8.300 nan 0.000 0.443 220 R N 1.313 121.891 120.500 0.131 0.000 2.048 220 R HA 0.388 4.728 4.340 -0.001 0.000 0.221 220 R C 0.119 176.486 176.300 0.111 0.000 1.174 220 R CA 1.586 57.706 56.100 0.032 0.000 0.971 220 R CB 0.111 30.426 30.300 0.025 0.000 0.863 220 R HN 0.856 nan 8.270 nan 0.000 0.439 221 R N -1.360 119.284 120.500 0.240 0.000 2.922 221 R HA 0.805 5.144 4.340 -0.001 0.000 0.256 221 R C -1.462 175.083 176.300 0.408 0.000 1.138 221 R CA -0.809 55.464 56.100 0.287 0.000 0.995 221 R CB 1.476 31.804 30.300 0.048 0.000 1.226 221 R HN 0.125 nan 8.270 nan 0.000 0.481 222 A N 0.874 123.934 122.820 0.400 0.000 2.475 222 A HA 0.706 5.026 4.320 -0.001 0.000 0.301 222 A C -1.055 176.644 177.584 0.191 0.000 1.059 222 A CA -0.954 51.240 52.037 0.261 0.000 0.710 222 A CB 1.499 20.592 19.000 0.155 0.000 1.288 222 A HN 0.627 nan 8.150 nan 0.000 0.408 223 I N 1.621 122.263 120.570 0.120 0.000 2.418 223 I HA 0.357 4.527 4.170 -0.001 0.000 0.287 223 I C -1.422 174.736 176.117 0.070 0.000 1.008 223 I CA -0.492 60.808 61.300 0.001 0.000 1.104 223 I CB 1.738 39.748 38.000 0.016 0.000 1.264 223 I HN 0.420 nan 8.210 nan 0.000 0.438 224 L N 6.840 128.070 121.223 0.011 0.000 2.319 224 L HA 0.434 4.773 4.340 -0.001 0.000 0.281 224 L C -0.380 176.546 176.870 0.093 0.000 1.005 224 L CA -0.203 54.639 54.840 0.003 0.000 0.828 224 L CB 1.442 43.434 42.059 -0.112 0.000 1.227 224 L HN 0.496 nan 8.230 nan 0.000 0.415 225 Q N 1.782 121.683 119.800 0.168 0.000 2.368 225 Q HA 0.444 4.783 4.340 -0.001 0.000 0.256 225 Q C 0.069 176.161 176.000 0.153 0.000 0.980 225 Q CA -0.412 55.557 55.803 0.277 0.000 0.887 225 Q CB 1.345 30.340 28.738 0.427 0.000 1.221 225 Q HN 0.653 nan 8.270 nan 0.000 0.458 226 S N 1.347 117.129 115.700 0.136 0.000 3.631 226 S HA -0.165 4.304 4.470 -0.001 0.000 0.366 226 S C -0.023 174.693 174.600 0.193 0.000 0.993 226 S CA 0.548 58.845 58.200 0.161 0.000 1.167 226 S CB -1.183 62.125 63.200 0.180 0.000 0.909 226 S HN 0.943 nan 8.310 nan 0.000 0.478 227 G N -0.613 108.239 108.800 0.085 0.000 2.655 227 G HA2 0.569 4.529 3.960 -0.001 0.000 0.296 227 G HA3 0.569 4.529 3.960 -0.001 0.000 0.296 227 G C -1.141 173.664 174.900 -0.157 0.000 1.485 227 G CA -0.174 44.968 45.100 0.069 0.000 0.869 227 G HN 0.381 nan 8.290 nan 0.000 0.540 228 S N 1.219 116.745 115.700 -0.291 0.000 2.595 228 S HA 0.720 5.189 4.470 -0.001 0.000 0.281 228 S C -1.895 172.392 174.600 -0.521 0.000 1.117 228 S CA -1.159 56.730 58.200 -0.518 0.000 0.873 228 S CB 3.127 66.063 63.200 -0.441 0.000 1.108 228 S HN 0.514 nan 8.310 nan 0.000 0.477 229 P HA -0.040 nan 4.420 nan 0.000 0.229 229 P C 0.424 177.491 177.300 -0.388 0.000 1.160 229 P CA 0.863 63.733 63.100 -0.383 0.000 0.777 229 P CB -0.102 31.442 31.700 -0.260 0.000 0.814 230 N N -0.689 117.802 118.700 -0.348 0.000 2.314 230 N HA -0.010 4.729 4.740 -0.001 0.000 0.200 230 N C -0.000 175.269 175.510 -0.402 0.000 1.135 230 N CA -0.277 52.603 53.050 -0.282 0.000 0.835 230 N CB -1.315 37.128 38.487 -0.075 0.000 0.989 230 N HN -0.022 nan 8.380 nan 0.000 0.478 231 C N 2.974 121.908 119.300 -0.610 0.000 2.657 231 C HA 0.119 4.578 4.460 -0.001 0.000 0.420 231 C C -0.244 174.234 174.990 -0.853 0.000 1.323 231 C CA -0.934 57.590 59.018 -0.822 0.000 1.894 231 C CB 1.196 28.158 27.740 -1.298 0.000 2.681 231 C HN 0.362 nan 8.230 nan 0.000 0.613 232 P HA -0.126 nan 4.420 nan 0.000 0.223 232 P C 1.101 178.251 177.300 -0.250 0.000 1.144 232 P CA 1.851 64.712 63.100 -0.398 0.000 0.783 232 P CB -0.073 31.427 31.700 -0.335 0.000 0.771 233 W N -1.547 119.645 121.300 -0.179 0.000 3.114 233 W HA 0.550 5.210 4.660 -0.001 0.000 0.279 233 W C 1.417 178.001 176.519 0.108 0.000 1.277 233 W CA 0.335 57.665 57.345 -0.025 0.000 1.630 233 W CB -1.203 28.277 29.460 0.034 0.000 1.087 233 W HN -0.114 nan 8.180 nan 0.000 0.637 234 A N 1.608 124.100 122.820 -0.548 0.000 2.014 234 A HA 0.035 4.354 4.320 -0.001 0.000 0.218 234 A C 1.282 178.738 177.584 -0.213 0.000 1.163 234 A CA 1.571 53.405 52.037 -0.339 0.000 0.652 234 A CB -0.652 17.916 19.000 -0.720 0.000 0.808 234 A HN 0.233 nan 8.150 nan 0.000 0.449 235 S N -1.892 113.653 115.700 -0.259 0.000 2.618 235 S HA 0.682 5.152 4.470 -0.001 0.000 0.277 235 S C -0.757 173.734 174.600 -0.182 0.000 1.138 235 S CA -0.096 57.946 58.200 -0.264 0.000 0.844 235 S CB 1.540 64.512 63.200 -0.380 0.000 1.127 235 S HN 1.249 nan 8.310 nan 0.000 0.474 236 V N -0.915 118.906 119.914 -0.155 0.000 3.007 236 V HA 0.899 5.019 4.120 -0.001 0.000 0.311 236 V C 0.219 176.247 176.094 -0.111 0.000 1.120 236 V CA -0.517 61.716 62.300 -0.112 0.000 0.980 236 V CB 1.128 32.904 31.823 -0.077 0.000 1.033 236 V HN 1.381 nan 8.190 nan 0.000 0.429 237 S N 1.569 117.211 115.700 -0.097 0.000 2.596 237 S HA 0.247 4.716 4.470 -0.001 0.000 0.260 237 S C 1.353 175.899 174.600 -0.089 0.000 1.336 237 S CA 0.162 58.306 58.200 -0.095 0.000 0.993 237 S CB 1.306 64.460 63.200 -0.076 0.000 0.923 237 S HN 2.195 nan 8.310 nan 0.000 0.567 238 V N -0.299 119.545 119.914 -0.117 0.000 2.548 238 V HA 0.058 4.177 4.120 -0.001 0.000 0.249 238 V C 2.370 178.435 176.094 -0.049 0.000 1.055 238 V CA 1.791 64.016 62.300 -0.126 0.000 1.065 238 V CB -1.656 29.978 31.823 -0.316 0.000 0.681 238 V HN 1.024 nan 8.190 nan 0.000 0.462 239 A N 0.598 123.392 122.820 -0.043 0.000 1.855 239 A HA -0.196 4.124 4.320 -0.001 0.000 0.215 239 A C 2.192 179.760 177.584 -0.027 0.000 1.191 239 A CA 1.992 54.017 52.037 -0.021 0.000 0.613 239 A CB -0.789 18.198 19.000 -0.021 0.000 0.829 239 A HN 0.678 nan 8.150 nan 0.000 0.442 240 E N 0.240 120.414 120.200 -0.043 0.000 2.110 240 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 240 E C 1.890 178.464 176.600 -0.044 0.000 0.988 240 E CA 1.634 58.001 56.400 -0.055 0.000 0.804 240 E CB -0.815 28.845 29.700 -0.067 0.000 0.745 240 E HN 0.401 nan 8.360 nan 0.000 0.458 241 G N 0.324 109.109 108.800 -0.026 0.000 2.422 241 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.218 241 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.218 241 G C 1.733 176.653 174.900 0.033 0.000 1.140 241 G CA 0.697 45.804 45.100 0.013 0.000 0.775 241 G HN 0.326 nan 8.290 nan 0.000 0.545 242 R N 0.177 120.686 120.500 0.015 0.000 2.066 242 R HA 0.071 4.410 4.340 -0.001 0.000 0.232 242 R C 2.521 178.826 176.300 0.008 0.000 1.131 242 R CA 1.078 57.189 56.100 0.018 0.000 0.955 242 R CB -0.414 29.899 30.300 0.022 0.000 0.851 242 R HN 0.217 nan 8.270 nan 0.000 0.432 243 R N 0.635 121.129 120.500 -0.010 0.000 2.094 243 R HA -0.172 4.168 4.340 -0.001 0.000 0.239 243 R C 2.223 178.511 176.300 -0.020 0.000 1.137 243 R CA 2.252 58.337 56.100 -0.025 0.000 0.943 243 R CB -0.175 30.094 30.300 -0.052 0.000 0.850 243 R HN 0.334 nan 8.270 nan 0.000 0.433 244 R N -0.437 120.050 120.500 -0.020 0.000 2.152 244 R HA -0.065 4.274 4.340 -0.001 0.000 0.232 244 R C 2.257 178.638 176.300 0.135 0.000 1.117 244 R CA 1.093 57.186 56.100 -0.011 0.000 0.981 244 R CB -0.255 29.966 30.300 -0.131 0.000 0.870 244 R HN 0.251 nan 8.270 nan 0.000 0.451 245 A N 0.915 123.811 122.820 0.127 0.000 1.873 245 A HA -0.080 4.240 4.320 -0.001 0.000 0.215 245 A C 2.376 179.967 177.584 0.011 0.000 1.186 245 A CA 1.134 53.208 52.037 0.062 0.000 0.616 245 A CB -0.474 18.509 19.000 -0.029 0.000 0.823 245 A HN 0.087 nan 8.150 nan 0.000 0.442 246 V N 0.376 120.294 119.914 0.006 0.000 2.261 246 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 246 V C 2.612 178.711 176.094 0.007 0.000 1.047 246 V CA 2.177 64.476 62.300 -0.001 0.000 1.015 246 V CB -0.763 31.057 31.823 -0.004 0.000 0.642 246 V HN 0.511 nan 8.190 nan 0.000 0.446 247 E N -0.164 120.042 120.200 0.010 0.000 2.058 247 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 247 E C 2.134 178.754 176.600 0.033 0.000 0.997 247 E CA 1.383 57.790 56.400 0.010 0.000 0.801 247 E CB -0.558 29.136 29.700 -0.010 0.000 0.746 247 E HN 0.468 nan 8.360 nan 0.000 0.450 248 L N 0.720 121.986 121.223 0.072 0.000 2.042 248 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 248 L C 2.206 179.098 176.870 0.037 0.000 1.076 248 L CA 2.324 57.220 54.840 0.092 0.000 0.749 248 L CB -0.862 41.294 42.059 0.160 0.000 0.893 248 L HN 0.152 nan 8.230 nan 0.000 0.432 249 G N -1.112 107.695 108.800 0.012 0.000 2.422 249 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.218 249 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.218 249 G C 1.796 176.701 174.900 0.009 0.000 1.146 249 G CA 0.763 45.863 45.100 -0.000 0.000 0.769 249 G HN 0.423 nan 8.290 nan 0.000 0.547 250 R N 0.490 120.998 120.500 0.012 0.000 2.096 250 R HA 0.006 4.346 4.340 -0.001 0.000 0.235 250 R C 2.117 178.428 176.300 0.019 0.000 1.127 250 R CA 1.258 57.365 56.100 0.013 0.000 0.968 250 R CB -0.333 29.973 30.300 0.009 0.000 0.861 250 R HN 0.330 nan 8.270 nan 0.000 0.440 251 N N 0.111 118.827 118.700 0.027 0.000 2.512 251 N HA -0.088 4.652 4.740 -0.001 0.000 0.183 251 N C 0.762 176.293 175.510 0.035 0.000 1.073 251 N CA 0.708 53.779 53.050 0.035 0.000 0.911 251 N CB 0.228 38.745 38.487 0.049 0.000 0.964 251 N HN 0.306 nan 8.380 nan 0.000 0.447 252 L N 0.256 121.496 121.223 0.028 0.000 2.906 252 L HA 0.197 4.536 4.340 -0.001 0.000 0.255 252 L C -0.431 176.449 176.870 0.016 0.000 1.166 252 L CA -0.170 54.686 54.840 0.026 0.000 0.977 252 L CB 0.099 42.174 42.059 0.026 0.000 1.313 252 L HN -0.004 nan 8.230 nan 0.000 0.549 253 N N 0.277 118.985 118.700 0.015 0.000 2.681 253 N HA -0.159 4.581 4.740 -0.001 0.000 0.259 253 N C -0.636 174.876 175.510 0.003 0.000 1.066 253 N CA 0.499 53.556 53.050 0.010 0.000 0.717 253 N CB -1.744 36.750 38.487 0.012 0.000 0.885 253 N HN 0.220 nan 8.380 nan 0.000 0.547 254 c N 0.822 119.423 118.600 0.002 0.000 2.391 254 c HA 0.373 4.942 4.570 -0.001 0.000 0.339 254 c C 1.168 175.260 174.090 0.003 0.000 1.205 254 c CA -1.077 55.249 56.329 -0.004 0.000 1.937 254 c CB 1.487 43.993 42.510 -0.006 0.000 2.341 254 c HN 0.504 nan 8.230 nan 0.000 0.516 255 N N 1.536 120.240 118.700 0.007 0.000 2.458 255 N HA 0.104 4.843 4.740 -0.001 0.000 0.258 255 N C -0.073 175.446 175.510 0.016 0.000 1.219 255 N CA 0.360 53.419 53.050 0.016 0.000 0.902 255 N CB 0.407 38.911 38.487 0.028 0.000 1.076 255 N HN 0.656 nan 8.380 nan 0.000 0.455 256 L N 2.116 123.347 121.223 0.014 0.000 2.965 256 L HA 0.149 4.488 4.340 -0.001 0.000 0.254 256 L C 2.024 178.902 176.870 0.013 0.000 1.220 256 L CA -0.016 54.831 54.840 0.011 0.000 1.023 256 L CB -0.848 41.215 42.059 0.007 0.000 1.355 256 L HN 0.657 nan 8.230 nan 0.000 0.545 257 N N 0.734 119.445 118.700 0.018 0.000 2.223 257 N HA -0.089 4.651 4.740 -0.001 0.000 0.185 257 N C 0.872 176.393 175.510 0.017 0.000 1.016 257 N CA 1.385 54.445 53.050 0.018 0.000 0.863 257 N CB 0.090 38.589 38.487 0.021 0.000 0.983 257 N HN 0.494 nan 8.380 nan 0.000 0.429 258 S N -3.114 112.598 115.700 0.021 0.000 2.587 258 S HA 0.413 4.882 4.470 -0.001 0.000 0.269 258 S C -0.629 173.984 174.600 0.022 0.000 1.154 258 S CA -0.296 57.915 58.200 0.019 0.000 0.824 258 S CB 1.108 64.321 63.200 0.021 0.000 1.118 258 S HN 0.033 nan 8.310 nan 0.000 0.462 259 D N 1.554 121.963 120.400 0.016 0.000 2.106 259 D HA -0.130 4.509 4.640 -0.001 0.000 0.191 259 D C 2.004 178.323 176.300 0.033 0.000 0.997 259 D CA 2.021 56.029 54.000 0.013 0.000 0.834 259 D CB -0.167 40.637 40.800 0.007 0.000 0.956 259 D HN 0.793 nan 8.370 nan 0.000 0.448 260 E N 1.035 121.259 120.200 0.039 0.000 2.265 260 E HA -0.182 4.168 4.350 -0.001 0.000 0.196 260 E C 1.545 178.205 176.600 0.099 0.000 0.996 260 E CA 0.823 57.259 56.400 0.060 0.000 0.832 260 E CB -0.296 29.427 29.700 0.038 0.000 0.756 260 E HN 0.450 nan 8.360 nan 0.000 0.491 261 E N 0.695 120.947 120.200 0.087 0.000 2.042 261 E HA -0.060 4.289 4.350 -0.001 0.000 0.189 261 E C 2.250 178.906 176.600 0.093 0.000 0.974 261 E CA 0.328 56.797 56.400 0.115 0.000 0.806 261 E CB -0.324 29.421 29.700 0.075 0.000 0.769 261 E HN 0.161 nan 8.360 nan 0.000 0.451 262 L N 1.880 123.135 121.223 0.053 0.000 1.971 262 L HA -0.198 4.142 4.340 -0.001 0.000 0.215 262 L C 2.235 179.132 176.870 0.045 0.000 1.072 262 L CA 1.693 56.548 54.840 0.026 0.000 0.758 262 L CB -0.692 41.367 42.059 0.000 0.000 0.889 262 L HN 0.070 nan 8.230 nan 0.000 0.433 263 I N -1.053 119.561 120.570 0.073 0.000 2.286 263 I HA -0.332 3.838 4.170 -0.001 0.000 0.248 263 I C 2.579 178.826 176.117 0.217 0.000 1.115 263 I CA 1.636 63.022 61.300 0.144 0.000 1.392 263 I CB -0.730 37.355 38.000 0.141 0.000 1.065 263 I HN 0.527 nan 8.210 nan 0.000 0.418 264 H N 0.243 119.362 119.070 0.082 0.000 2.423 264 H HA -0.223 4.332 4.556 -0.001 0.000 0.297 264 H C 2.475 177.844 175.328 0.069 0.000 1.075 264 H CA 1.690 57.779 56.048 0.069 0.000 1.342 264 H CB 0.199 29.988 29.762 0.045 0.000 1.395 264 H HN 0.503 nan 8.280 nan 0.000 0.530 265 c N 0.870 119.392 118.600 -0.131 0.000 2.462 265 c HA -0.063 4.507 4.570 -0.001 0.000 0.278 265 c C 2.856 176.917 174.090 -0.050 0.000 1.253 265 c CA 0.622 56.842 56.329 -0.182 0.000 1.713 265 c CB -1.303 41.157 42.510 -0.083 0.000 2.049 265 c HN 0.610 nan 8.230 nan 0.000 0.477 266 L N 0.450 121.709 121.223 0.060 0.000 2.127 266 L HA -0.132 4.207 4.340 -0.001 0.000 0.211 266 L C 2.887 179.853 176.870 0.160 0.000 1.089 266 L CA 1.574 56.509 54.840 0.160 0.000 0.757 266 L CB -0.677 41.547 42.059 0.274 0.000 0.899 266 L HN 0.388 nan 8.230 nan 0.000 0.434 267 R N -0.685 119.890 120.500 0.125 0.000 2.276 267 R HA -0.077 4.263 4.340 -0.001 0.000 0.203 267 R C 1.919 178.225 176.300 0.009 0.000 1.017 267 R CA 0.320 56.429 56.100 0.015 0.000 1.010 267 R CB 0.044 30.370 30.300 0.043 0.000 0.900 267 R HN 0.278 nan 8.270 nan 0.000 0.469 268 E N 0.692 120.886 120.200 -0.010 0.000 2.170 268 E HA 0.002 4.351 4.350 -0.001 0.000 0.191 268 E C 0.146 176.750 176.600 0.006 0.000 0.981 268 E CA 0.651 57.037 56.400 -0.023 0.000 0.830 268 E CB 0.281 29.919 29.700 -0.103 0.000 0.775 268 E HN -0.010 nan 8.360 nan 0.000 0.470 269 K N 1.541 121.953 120.400 0.021 0.000 2.414 269 K HA 0.041 4.361 4.320 -0.001 0.000 0.272 269 K C 0.341 176.984 176.600 0.073 0.000 0.993 269 K CA 0.021 56.336 56.287 0.047 0.000 0.964 269 K CB 0.348 32.883 32.500 0.059 0.000 0.925 269 K HN -0.233 nan 8.250 nan 0.000 0.487 270 K N 2.285 122.733 120.400 0.080 0.000 2.138 270 K HA 0.098 4.417 4.320 -0.001 0.000 0.251 270 K C -1.532 175.164 176.600 0.160 0.000 1.015 270 K CA -1.180 55.162 56.287 0.092 0.000 0.917 270 K CB 0.122 32.666 32.500 0.073 0.000 1.021 270 K HN 0.436 nan 8.250 nan 0.000 0.485 271 P HA -0.168 nan 4.420 nan 0.000 0.216 271 P C 1.288 178.801 177.300 0.354 0.000 1.150 271 P CA 1.034 64.335 63.100 0.336 0.000 0.837 271 P CB 0.195 31.931 31.700 0.061 0.000 0.786 272 Q N 0.193 120.115 119.800 0.205 0.000 2.369 272 Q HA -0.133 4.206 4.340 -0.001 0.000 0.206 272 Q C 1.771 177.885 176.000 0.190 0.000 0.963 272 Q CA 1.300 57.221 55.803 0.197 0.000 0.894 272 Q CB -0.644 28.175 28.738 0.136 0.000 0.965 272 Q HN 0.324 nan 8.270 nan 0.000 0.475 273 E N -0.565 119.733 120.200 0.162 0.000 2.208 273 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 273 E C 1.478 178.156 176.600 0.130 0.000 0.988 273 E CA 0.568 57.046 56.400 0.129 0.000 0.828 273 E CB 0.071 29.828 29.700 0.096 0.000 0.763 273 E HN 0.329 nan 8.360 nan 0.000 0.478 274 L N 0.593 121.898 121.223 0.138 0.000 2.131 274 L HA -0.060 4.280 4.340 -0.001 0.000 0.206 274 L C 2.363 179.312 176.870 0.132 0.000 1.087 274 L CA 1.177 56.054 54.840 0.061 0.000 0.767 274 L CB -0.626 41.352 42.059 -0.135 0.000 0.917 274 L HN 0.198 nan 8.230 nan 0.000 0.441 275 I N -0.121 120.594 120.570 0.242 0.000 2.315 275 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 275 I C 2.150 178.455 176.117 0.314 0.000 1.117 275 I CA 0.920 62.414 61.300 0.322 0.000 1.404 275 I CB -0.328 37.913 38.000 0.402 0.000 1.071 275 I HN 0.207 nan 8.210 nan 0.000 0.419 276 D N 0.813 121.364 120.400 0.252 0.000 2.104 276 D HA -0.139 4.501 4.640 -0.001 0.000 0.194 276 D C 1.979 178.408 176.300 0.214 0.000 0.994 276 D CA 1.699 55.836 54.000 0.229 0.000 0.830 276 D CB -0.169 40.731 40.800 0.166 0.000 0.959 276 D HN 0.362 nan 8.370 nan 0.000 0.452 277 V N -1.531 118.487 119.914 0.173 0.000 3.514 277 V HA 0.179 4.298 4.120 -0.001 0.000 0.301 277 V C 1.718 177.899 176.094 0.144 0.000 1.346 277 V CA 0.114 62.503 62.300 0.148 0.000 1.156 277 V CB 0.036 31.923 31.823 0.106 0.000 1.029 277 V HN -0.010 nan 8.190 nan 0.000 0.428 278 E N 0.721 121.013 120.200 0.153 0.000 2.118 278 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 278 E C 1.424 177.911 176.600 -0.187 0.000 0.992 278 E CA 2.320 58.742 56.400 0.037 0.000 0.804 278 E CB -0.096 29.585 29.700 -0.032 0.000 0.741 278 E HN 0.842 nan 8.360 nan 0.000 0.458 279 W N 0.559 121.828 121.300 -0.052 0.000 3.256 279 W HA 0.117 4.776 4.660 -0.001 0.000 0.269 279 W C 1.262 177.726 176.519 -0.093 0.000 1.310 279 W CA -0.336 56.936 57.345 -0.121 0.000 1.673 279 W CB 0.136 29.492 29.460 -0.174 0.000 1.115 279 W HN 0.029 nan 8.180 nan 0.000 0.686 280 N N 0.273 119.049 118.700 0.128 0.000 2.521 280 N HA -0.071 4.669 4.740 -0.001 0.000 0.188 280 N C 1.609 177.123 175.510 0.006 0.000 1.146 280 N CA 1.081 54.173 53.050 0.071 0.000 0.893 280 N CB -0.178 38.350 38.487 0.069 0.000 0.975 280 N HN 0.256 nan 8.380 nan 0.000 0.451 281 V N -2.734 117.147 119.914 -0.054 0.000 3.578 281 V HA 0.292 4.412 4.120 -0.001 0.000 0.290 281 V C 0.714 176.712 176.094 -0.160 0.000 1.376 281 V CA -0.207 62.025 62.300 -0.113 0.000 1.083 281 V CB -0.408 31.324 31.823 -0.151 0.000 0.911 281 V HN -0.054 nan 8.190 nan 0.000 0.433 282 L N 2.180 123.324 121.223 -0.131 0.000 2.499 282 L HA 0.197 4.537 4.340 -0.001 0.000 0.281 282 L C -0.586 176.186 176.870 -0.164 0.000 1.234 282 L CA -0.600 54.164 54.840 -0.126 0.000 0.839 282 L CB 0.323 42.371 42.059 -0.018 0.000 1.104 282 L HN 0.169 nan 8.230 nan 0.000 0.500 283 P HA 0.085 nan 4.420 nan 0.000 0.251 283 P C -0.359 176.551 177.300 -0.649 0.000 1.223 283 P CA 0.666 63.442 63.100 -0.540 0.000 0.796 283 P CB 0.403 31.605 31.700 -0.829 0.000 1.068 284 F N -0.464 119.484 119.950 -0.003 0.000 2.675 284 F HA 0.418 4.945 4.527 -0.001 0.000 0.324 284 F C 0.137 175.937 175.800 0.001 0.000 1.106 284 F CA -1.438 56.564 58.000 0.002 0.000 0.970 284 F CB 0.250 39.256 39.000 0.010 0.000 1.385 284 F HN -0.371 nan 8.300 nan 0.000 0.489 285 D N 0.965 121.511 120.400 0.244 0.000 2.295 285 D HA 0.523 5.162 4.640 -0.001 0.000 0.248 285 D C -0.836 175.525 176.300 0.103 0.000 1.154 285 D CA 0.288 54.358 54.000 0.116 0.000 0.857 285 D CB 0.738 41.583 40.800 0.075 0.000 1.117 285 D HN 0.636 nan 8.370 nan 0.000 0.468 286 S N 2.514 118.258 115.700 0.074 0.000 2.611 286 S HA 0.632 5.102 4.470 -0.001 0.000 0.268 286 S C -0.558 174.049 174.600 0.011 0.000 1.156 286 S CA -1.047 57.179 58.200 0.044 0.000 0.817 286 S CB 0.356 63.612 63.200 0.094 0.000 1.122 286 S HN 0.518 nan 8.310 nan 0.000 0.466 287 I N -2.663 117.905 120.570 -0.004 0.000 2.740 287 I HA 0.836 5.005 4.170 -0.001 0.000 0.303 287 I C -0.413 175.683 176.117 -0.034 0.000 1.044 287 I CA -1.018 60.270 61.300 -0.019 0.000 1.064 287 I CB 1.381 39.384 38.000 0.006 0.000 1.249 287 I HN 0.790 nan 8.210 nan 0.000 0.433 288 F N 2.352 122.085 119.950 -0.362 0.000 3.058 288 F HA -0.156 4.370 4.527 -0.001 0.000 0.295 288 F C -0.514 174.778 175.800 -0.846 0.000 0.875 288 F CA 0.450 57.966 58.000 -0.806 0.000 1.150 288 F CB -0.716 37.836 39.000 -0.747 0.000 1.175 288 F HN 0.653 nan 8.300 nan 0.000 0.599 289 R N 0.464 120.572 120.500 -0.653 0.000 2.574 289 R HA 0.651 4.990 4.340 -0.001 0.000 0.288 289 R C -0.872 175.117 176.300 -0.518 0.000 1.004 289 R CA -0.549 55.303 56.100 -0.414 0.000 0.895 289 R CB 1.183 31.452 30.300 -0.052 0.000 1.191 289 R HN -0.005 nan 8.270 nan 0.000 0.444 290 F N -0.834 119.221 119.950 0.175 0.000 2.579 290 F HA 0.417 4.943 4.527 -0.001 0.000 0.324 290 F C 1.594 177.281 175.800 -0.189 0.000 1.058 290 F CA -0.789 57.205 58.000 -0.010 0.000 0.944 290 F CB 1.575 40.692 39.000 0.196 0.000 1.245 290 F HN 0.331 nan 8.300 nan 0.000 0.477 291 S N 0.215 115.713 115.700 -0.337 0.000 2.335 291 S HA 0.002 4.472 4.470 -0.001 0.000 0.216 291 S C 0.048 174.248 174.600 -0.667 0.000 1.032 291 S CA 1.056 58.877 58.200 -0.632 0.000 1.000 291 S CB -0.229 62.342 63.200 -1.049 0.000 0.928 291 S HN 0.322 nan 8.310 nan 0.000 0.434 292 F N 2.200 122.141 119.950 -0.016 0.000 2.334 292 F HA 0.538 5.064 4.527 -0.001 0.000 0.367 292 F C 0.108 175.912 175.800 0.006 0.000 1.115 292 F CA -1.067 56.957 58.000 0.040 0.000 1.116 292 F CB 0.797 39.851 39.000 0.089 0.000 1.230 292 F HN -0.065 nan 8.300 nan 0.000 0.484 293 V N 1.000 120.925 119.914 0.019 0.000 3.141 293 V HA 0.744 4.863 4.120 -0.001 0.000 0.312 293 V C -2.851 173.054 176.094 -0.315 0.000 1.157 293 V CA -3.377 58.687 62.300 -0.393 0.000 1.041 293 V CB 1.923 33.640 31.823 -0.176 0.000 1.071 293 V HN 0.255 nan 8.190 nan 0.000 0.441 294 P HA 0.203 nan 4.420 nan 0.000 0.266 294 P C -0.543 176.693 177.300 -0.107 0.000 1.193 294 P CA 0.313 63.297 63.100 -0.194 0.000 0.770 294 P CB 0.429 31.941 31.700 -0.312 0.000 0.836 295 V N 1.229 121.146 119.914 0.006 0.000 2.513 295 V HA 0.394 4.513 4.120 -0.001 0.000 0.299 295 V C 0.115 176.218 176.094 0.016 0.000 1.035 295 V CA -0.801 61.483 62.300 -0.027 0.000 0.889 295 V CB 1.484 33.301 31.823 -0.010 0.000 0.988 295 V HN 0.214 nan 8.190 nan 0.000 0.440 296 I N 5.623 126.142 120.570 -0.085 0.000 2.472 296 I HA 0.112 4.281 4.170 -0.001 0.000 0.305 296 I C 1.193 177.313 176.117 0.006 0.000 1.196 296 I CA 0.279 61.557 61.300 -0.036 0.000 1.613 296 I CB -0.585 37.334 38.000 -0.136 0.000 1.501 296 I HN 0.965 nan 8.210 nan 0.000 0.754 297 D N 3.150 123.609 120.400 0.099 0.000 2.323 297 D HA -0.005 4.635 4.640 -0.001 0.000 0.209 297 D C 1.453 177.779 176.300 0.044 0.000 0.973 297 D CA 0.991 54.953 54.000 -0.063 0.000 0.874 297 D CB 0.344 41.187 40.800 0.072 0.000 0.930 297 D HN 0.614 nan 8.370 nan 0.000 0.521 298 G N -0.777 108.110 108.800 0.146 0.000 2.176 298 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.232 298 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.232 298 G C 0.936 175.919 174.900 0.137 0.000 0.986 298 G CA 0.518 45.701 45.100 0.138 0.000 0.643 298 G HN 0.381 nan 8.290 nan 0.000 0.522 299 E N -1.246 119.048 120.200 0.156 0.000 2.538 299 E HA 0.402 4.752 4.350 -0.001 0.000 0.188 299 E C 1.725 178.353 176.600 0.047 0.000 1.014 299 E CA 0.396 56.857 56.400 0.102 0.000 1.140 299 E CB -0.566 29.209 29.700 0.126 0.000 1.262 299 E HN 0.457 nan 8.360 nan 0.000 0.488 300 F N 0.571 120.464 119.950 -0.094 0.000 2.134 300 F HA 0.126 4.653 4.527 -0.001 0.000 0.299 300 F C 0.241 175.754 175.800 -0.479 0.000 1.097 300 F CA 1.109 58.917 58.000 -0.320 0.000 1.264 300 F CB 0.197 38.931 39.000 -0.443 0.000 1.001 300 F HN 0.050 nan 8.300 nan 0.000 0.479 301 F N 0.217 120.313 119.950 0.243 0.000 2.427 301 F HA 0.361 4.888 4.527 -0.001 0.000 0.348 301 F C -1.663 174.184 175.800 0.078 0.000 1.125 301 F CA -2.639 55.449 58.000 0.147 0.000 0.989 301 F CB 0.939 40.025 39.000 0.143 0.000 1.165 301 F HN -0.278 nan 8.300 nan 0.000 0.442 302 P HA -0.058 nan 4.420 nan 0.000 0.216 302 P C 0.114 177.485 177.300 0.118 0.000 1.153 302 P CA 1.629 64.797 63.100 0.113 0.000 0.848 302 P CB 0.255 31.997 31.700 0.071 0.000 0.787 303 T N -6.231 108.404 114.554 0.135 0.000 2.618 303 T HA 0.359 4.708 4.350 -0.001 0.000 0.293 303 T C -0.570 174.174 174.700 0.074 0.000 1.093 303 T CA -0.786 61.368 62.100 0.090 0.000 1.061 303 T CB 0.384 69.290 68.868 0.063 0.000 1.498 303 T HN -0.064 nan 8.240 nan 0.000 0.494 304 S N 0.659 116.378 115.700 0.032 0.000 2.575 304 S HA 0.090 4.559 4.470 -0.001 0.000 0.295 304 S C 1.518 176.126 174.600 0.014 0.000 1.267 304 S CA -0.680 57.518 58.200 -0.004 0.000 1.074 304 S CB -0.641 62.556 63.200 -0.004 0.000 0.829 304 S HN 0.650 nan 8.310 nan 0.000 0.497 305 L N 1.183 122.381 121.223 -0.041 0.000 2.137 305 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 305 L C 2.839 179.751 176.870 0.070 0.000 1.085 305 L CA 2.057 56.897 54.840 0.000 0.000 0.760 305 L CB -0.727 41.273 42.059 -0.099 0.000 0.893 305 L HN 0.777 nan 8.230 nan 0.000 0.434 306 E N 0.477 120.710 120.200 0.053 0.000 2.150 306 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 306 E C 2.209 178.878 176.600 0.115 0.000 0.985 306 E CA 1.499 57.962 56.400 0.106 0.000 0.814 306 E CB -0.012 29.737 29.700 0.082 0.000 0.752 306 E HN 0.530 nan 8.360 nan 0.000 0.466 307 S N -0.472 115.281 115.700 0.088 0.000 2.387 307 S HA -0.107 4.362 4.470 -0.001 0.000 0.226 307 S C 2.132 176.799 174.600 0.112 0.000 1.026 307 S CA 0.988 59.240 58.200 0.087 0.000 0.972 307 S CB -0.345 62.891 63.200 0.060 0.000 0.814 307 S HN 0.220 nan 8.310 nan 0.000 0.477 308 M N 1.098 120.778 119.600 0.133 0.000 2.086 308 M HA 0.001 4.480 4.480 -0.001 0.000 0.261 308 M C 2.207 178.680 176.300 0.288 0.000 1.067 308 M CA 1.509 56.919 55.300 0.183 0.000 1.116 308 M CB -0.652 32.079 32.600 0.218 0.000 1.348 308 M HN 0.302 nan 8.290 nan 0.000 0.407 309 L N -0.181 121.207 121.223 0.275 0.000 2.046 309 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 309 L C 2.199 179.278 176.870 0.348 0.000 1.077 309 L CA 0.972 56.004 54.840 0.320 0.000 0.747 309 L CB -0.781 41.374 42.059 0.161 0.000 0.896 309 L HN 0.349 nan 8.230 nan 0.000 0.432 310 N N -0.271 118.568 118.700 0.230 0.000 2.188 310 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 310 N C 1.862 177.519 175.510 0.245 0.000 1.018 310 N CA 1.653 54.833 53.050 0.216 0.000 0.858 310 N CB -0.164 38.409 38.487 0.143 0.000 0.989 310 N HN 0.334 nan 8.380 nan 0.000 0.426 311 S N -1.119 114.663 115.700 0.137 0.000 2.631 311 S HA 0.273 4.743 4.470 -0.001 0.000 0.217 311 S C 1.393 175.790 174.600 -0.338 0.000 0.958 311 S CA 0.425 58.621 58.200 -0.006 0.000 0.920 311 S CB 0.121 63.303 63.200 -0.029 0.000 0.776 311 S HN 0.399 nan 8.310 nan 0.000 0.517 312 G N 2.167 110.673 108.800 -0.490 0.000 2.189 312 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.267 312 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.267 312 G C 0.247 174.435 174.900 -1.186 0.000 0.975 312 G CA 0.170 44.298 45.100 -1.620 0.000 0.644 312 G HN 0.634 nan 8.290 nan 0.000 0.537 313 N N 0.871 119.298 118.700 -0.456 0.000 2.736 313 N HA 0.387 5.126 4.740 -0.001 0.000 0.307 313 N C -0.136 175.371 175.510 -0.005 0.000 1.212 313 N CA 0.746 53.665 53.050 -0.217 0.000 1.158 313 N CB -1.310 37.152 38.487 -0.041 0.000 1.460 313 N HN 0.843 nan 8.380 nan 0.000 0.514 314 F N -1.405 118.502 119.950 -0.071 0.000 2.770 314 F HA 0.376 4.903 4.527 -0.001 0.000 0.313 314 F C -0.409 175.412 175.800 0.035 0.000 1.154 314 F CA -1.487 56.540 58.000 0.044 0.000 0.923 314 F CB 0.542 39.639 39.000 0.161 0.000 1.301 314 F HN -0.147 nan 8.300 nan 0.000 0.449 315 K N 1.901 122.548 120.400 0.412 0.000 2.447 315 K HA 0.189 4.509 4.320 -0.001 0.000 0.281 315 K C -0.987 175.855 176.600 0.403 0.000 1.031 315 K CA -0.087 56.360 56.287 0.266 0.000 1.019 315 K CB 0.452 33.071 32.500 0.199 0.000 0.918 315 K HN 0.641 nan 8.250 nan 0.000 0.476 316 K N 2.773 123.267 120.400 0.156 0.000 2.253 316 K HA 0.206 4.525 4.320 -0.001 0.000 0.277 316 K C -0.266 176.446 176.600 0.186 0.000 1.053 316 K CA -0.192 56.180 56.287 0.142 0.000 0.892 316 K CB 1.823 34.309 32.500 -0.023 0.000 1.102 316 K HN 0.676 nan 8.250 nan 0.000 0.469 317 T N 0.480 115.234 114.554 0.335 0.000 2.637 317 T HA 0.275 4.624 4.350 -0.001 0.000 0.303 317 T C -1.819 173.092 174.700 0.352 0.000 1.288 317 T CA -0.787 61.467 62.100 0.256 0.000 1.040 317 T CB 0.748 69.747 68.868 0.218 0.000 1.644 317 T HN 0.463 nan 8.240 nan 0.000 0.480 318 Q N 2.004 121.979 119.800 0.291 0.000 2.266 318 Q HA 0.691 5.030 4.340 -0.001 0.000 0.261 318 Q C -0.524 175.780 176.000 0.507 0.000 0.985 318 Q CA -0.878 55.156 55.803 0.384 0.000 0.873 318 Q CB 1.670 30.619 28.738 0.353 0.000 1.306 318 Q HN 0.883 nan 8.270 nan 0.000 0.447 319 I N -1.392 119.427 120.570 0.416 0.000 2.730 319 I HA 0.653 4.822 4.170 -0.001 0.000 0.298 319 I C -1.359 174.663 176.117 -0.159 0.000 1.089 319 I CA -1.430 59.978 61.300 0.181 0.000 1.041 319 I CB 2.353 40.306 38.000 -0.079 0.000 1.235 319 I HN 0.603 nan 8.210 nan 0.000 0.423 320 L N 6.978 127.851 121.223 -0.582 0.000 2.349 320 L HA 0.744 5.084 4.340 -0.001 0.000 0.278 320 L C -1.136 175.545 176.870 -0.316 0.000 0.996 320 L CA -0.548 53.863 54.840 -0.715 0.000 0.825 320 L CB 1.446 42.566 42.059 -1.565 0.000 1.243 320 L HN 0.790 nan 8.230 nan 0.000 0.412 321 L N 2.504 123.654 121.223 -0.121 0.000 2.409 321 L HA 1.126 5.466 4.340 -0.001 0.000 0.255 321 L C -0.676 176.012 176.870 -0.304 0.000 1.027 321 L CA -0.516 54.266 54.840 -0.097 0.000 0.834 321 L CB 2.076 44.075 42.059 -0.100 0.000 1.426 321 L HN 0.651 nan 8.230 nan 0.000 0.411 322 G N 0.060 108.513 108.800 -0.577 0.000 2.441 322 G HA2 0.550 4.510 3.960 -0.001 0.000 0.294 322 G HA3 0.550 4.510 3.960 -0.001 0.000 0.294 322 G C -1.586 172.977 174.900 -0.561 0.000 1.393 322 G CA 0.001 44.454 45.100 -1.078 0.000 0.796 322 G HN 1.279 nan 8.290 nan 0.000 0.494 323 V N -2.098 117.642 119.914 -0.290 0.000 3.040 323 V HA 0.832 4.951 4.120 -0.001 0.000 0.312 323 V C -0.751 175.418 176.094 0.125 0.000 1.115 323 V CA -1.476 60.851 62.300 0.044 0.000 0.998 323 V CB 1.975 33.864 31.823 0.111 0.000 1.042 323 V HN 0.642 nan 8.190 nan 0.000 0.433 324 N N 1.190 119.983 118.700 0.156 0.000 2.495 324 N HA 0.380 5.119 4.740 -0.001 0.000 0.280 324 N C 0.694 176.127 175.510 -0.128 0.000 1.168 324 N CA -0.457 52.642 53.050 0.081 0.000 0.978 324 N CB 1.693 40.330 38.487 0.249 0.000 1.191 324 N HN 0.935 nan 8.380 nan 0.000 0.497 325 K N 0.113 120.304 120.400 -0.348 0.000 2.032 325 K HA -0.095 4.224 4.320 -0.001 0.000 0.209 325 K C -0.625 176.033 176.600 0.098 0.000 1.048 325 K CA 1.351 57.521 56.287 -0.194 0.000 0.927 325 K CB 0.183 32.581 32.500 -0.169 0.000 0.712 325 K HN 0.528 nan 8.250 nan 0.000 0.441 326 D N 1.088 121.543 120.400 0.092 0.000 2.434 326 D HA 0.048 4.687 4.640 -0.001 0.000 0.275 326 D C 0.009 176.403 176.300 0.158 0.000 1.172 326 D CA -0.110 53.968 54.000 0.130 0.000 0.916 326 D CB 1.555 42.410 40.800 0.091 0.000 1.041 326 D HN 0.176 nan 8.370 nan 0.000 0.501 327 E N 0.708 121.029 120.200 0.201 0.000 2.216 327 E HA -0.054 4.295 4.350 -0.001 0.000 0.192 327 E C 1.968 178.731 176.600 0.271 0.000 0.988 327 E CA 0.320 56.880 56.400 0.267 0.000 0.834 327 E CB 0.270 30.127 29.700 0.261 0.000 0.772 327 E HN 0.472 nan 8.360 nan 0.000 0.479 328 G N 1.281 110.212 108.800 0.217 0.000 2.408 328 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.215 328 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.215 328 G C 1.730 176.723 174.900 0.154 0.000 1.156 328 G CA 0.801 46.035 45.100 0.223 0.000 0.793 328 G HN 0.192 nan 8.290 nan 0.000 0.535 329 S N 0.912 116.660 115.700 0.081 0.000 2.422 329 S HA -0.344 4.126 4.470 -0.001 0.000 0.248 329 S C 1.892 176.399 174.600 -0.155 0.000 1.069 329 S CA 1.818 59.991 58.200 -0.045 0.000 1.214 329 S CB -0.808 62.268 63.200 -0.207 0.000 1.122 329 S HN 0.395 nan 8.310 nan 0.000 0.432 330 F N 1.416 121.118 119.950 -0.414 0.000 2.154 330 F HA -0.173 4.354 4.527 -0.001 0.000 0.301 330 F C 1.744 177.120 175.800 -0.708 0.000 1.087 330 F CA 1.492 59.089 58.000 -0.671 0.000 1.274 330 F CB -0.331 38.090 39.000 -0.966 0.000 1.009 330 F HN 0.146 nan 8.300 nan 0.000 0.485 331 F N -0.640 119.201 119.950 -0.181 0.000 2.335 331 F HA -0.009 4.517 4.527 -0.001 0.000 0.296 331 F C 2.040 177.700 175.800 -0.234 0.000 1.091 331 F CA 0.602 58.441 58.000 -0.268 0.000 1.399 331 F CB -0.718 38.055 39.000 -0.377 0.000 1.067 331 F HN -0.110 nan 8.300 nan 0.000 0.520 332 L N -0.560 120.563 121.223 -0.168 0.000 2.023 332 L HA -0.177 4.162 4.340 -0.001 0.000 0.205 332 L C 2.484 179.123 176.870 -0.384 0.000 1.073 332 L CA 0.737 55.287 54.840 -0.483 0.000 0.745 332 L CB -0.729 40.720 42.059 -1.016 0.000 0.900 332 L HN 0.149 nan 8.230 nan 0.000 0.435 333 L N -0.710 120.430 121.223 -0.138 0.000 2.021 333 L HA -0.301 4.039 4.340 -0.001 0.000 0.215 333 L C 2.297 179.215 176.870 0.080 0.000 1.074 333 L CA 2.105 57.044 54.840 0.164 0.000 0.760 333 L CB -0.683 41.478 42.059 0.170 0.000 0.889 333 L HN 0.141 nan 8.230 nan 0.000 0.433 334 Y N -0.840 119.315 120.300 -0.242 0.000 2.519 334 Y HA 0.228 4.777 4.550 -0.001 0.000 0.287 334 Y C 2.132 177.936 175.900 -0.159 0.000 1.128 334 Y CA 0.760 58.729 58.100 -0.218 0.000 1.282 334 Y CB -0.028 38.202 38.460 -0.385 0.000 1.027 334 Y HN 0.314 nan 8.280 nan 0.000 0.551 335 G N -1.659 107.150 108.800 0.015 0.000 4.000 335 G HA2 0.468 4.428 3.960 -0.001 0.000 0.260 335 G HA3 0.468 4.428 3.960 -0.001 0.000 0.260 335 G C -0.345 174.561 174.900 0.009 0.000 1.047 335 G CA 0.291 45.385 45.100 -0.010 0.000 0.860 335 G HN 0.242 nan 8.290 nan 0.000 0.464 336 A N 1.690 124.532 122.820 0.037 0.000 2.317 336 A HA 0.839 5.158 4.320 -0.001 0.000 0.327 336 A C -2.592 175.150 177.584 0.262 0.000 1.178 336 A CA -1.622 50.494 52.037 0.131 0.000 0.817 336 A CB 1.504 20.562 19.000 0.097 0.000 1.189 336 A HN 0.054 nan 8.150 nan 0.000 0.489 337 P HA 0.317 nan 4.420 nan 0.000 0.271 337 P C 0.773 178.111 177.300 0.065 0.000 1.216 337 P CA 1.264 64.422 63.100 0.098 0.000 0.771 337 P CB 1.266 32.992 31.700 0.043 0.000 0.864 338 G N 1.896 110.680 108.800 -0.027 0.000 2.218 338 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.216 338 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.216 338 G C -0.331 174.331 174.900 -0.396 0.000 0.994 338 G CA -0.542 44.420 45.100 -0.230 0.000 0.637 338 G HN 0.432 nan 8.290 nan 0.000 0.505 339 F N 2.271 122.153 119.950 -0.114 0.000 2.443 339 F HA 0.687 5.214 4.527 -0.001 0.000 0.335 339 F C 0.719 176.503 175.800 -0.028 0.000 1.104 339 F CA 0.001 57.909 58.000 -0.154 0.000 1.013 339 F CB 2.293 41.263 39.000 -0.050 0.000 1.136 339 F HN 0.318 nan 8.300 nan 0.000 0.470 340 S N 1.601 117.402 115.700 0.168 0.000 2.556 340 S HA 0.355 4.824 4.470 -0.001 0.000 0.271 340 S C 0.226 175.022 174.600 0.326 0.000 1.135 340 S CA -1.133 57.187 58.200 0.201 0.000 0.858 340 S CB 2.127 65.370 63.200 0.071 0.000 1.114 340 S HN 0.716 nan 8.310 nan 0.000 0.468 341 K N 0.203 120.772 120.400 0.282 0.000 2.097 341 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 341 K C -0.020 176.665 176.600 0.143 0.000 1.050 341 K CA 1.593 57.998 56.287 0.197 0.000 0.938 341 K CB -0.196 32.178 32.500 -0.210 0.000 0.718 341 K HN 0.645 nan 8.250 nan 0.000 0.442 342 D N 0.709 121.148 120.400 0.066 0.000 2.336 342 D HA 0.011 4.650 4.640 -0.001 0.000 0.228 342 D C 0.050 176.380 176.300 0.050 0.000 1.120 342 D CA 0.166 54.181 54.000 0.024 0.000 0.839 342 D CB 0.640 41.420 40.800 -0.033 0.000 0.932 342 D HN 0.198 nan 8.370 nan 0.000 0.509 343 S N -1.167 114.584 115.700 0.085 0.000 2.704 343 S HA 0.332 4.802 4.470 -0.001 0.000 0.296 343 S C 0.568 175.165 174.600 -0.006 0.000 1.138 343 S CA -0.767 57.441 58.200 0.013 0.000 0.875 343 S CB 2.130 65.298 63.200 -0.053 0.000 1.151 343 S HN -0.132 nan 8.310 nan 0.000 0.500 344 E N 0.844 120.996 120.200 -0.080 0.000 2.511 344 E HA 0.101 4.450 4.350 -0.001 0.000 0.196 344 E C -0.318 175.985 176.600 -0.495 0.000 1.066 344 E CA 0.243 56.559 56.400 -0.141 0.000 0.871 344 E CB -0.289 29.372 29.700 -0.065 0.000 0.863 344 E HN 0.688 nan 8.360 nan 0.000 0.520 345 S N 1.564 116.922 115.700 -0.570 0.000 3.427 345 S HA -0.211 4.259 4.470 -0.001 0.000 0.373 345 S C -0.078 174.129 174.600 -0.656 0.000 0.973 345 S CA 0.787 58.532 58.200 -0.759 0.000 1.218 345 S CB -1.237 61.196 63.200 -1.279 0.000 0.912 345 S HN 0.316 nan 8.310 nan 0.000 0.483 346 K N 0.710 120.873 120.400 -0.395 0.000 2.382 346 K HA 0.264 4.583 4.320 -0.001 0.000 0.275 346 K C 0.332 176.734 176.600 -0.329 0.000 1.009 346 K CA 0.031 56.147 56.287 -0.286 0.000 0.970 346 K CB 0.395 32.789 32.500 -0.178 0.000 0.934 346 K HN 0.228 nan 8.250 nan 0.000 0.479 347 I N 2.179 122.583 120.570 -0.276 0.000 2.404 347 I HA 0.056 4.225 4.170 -0.001 0.000 0.293 347 I C 0.762 176.806 176.117 -0.122 0.000 0.992 347 I CA -0.404 60.744 61.300 -0.253 0.000 1.149 347 I CB 1.564 39.400 38.000 -0.274 0.000 1.315 347 I HN 0.701 nan 8.210 nan 0.000 0.446 348 S N 5.742 121.383 115.700 -0.099 0.000 2.593 348 S HA 0.199 4.669 4.470 -0.001 0.000 0.269 348 S C 1.045 175.646 174.600 0.002 0.000 1.334 348 S CA -0.302 57.866 58.200 -0.053 0.000 1.015 348 S CB 1.383 64.556 63.200 -0.045 0.000 0.912 348 S HN 0.628 nan 8.310 nan 0.000 0.541 349 R N 0.743 121.236 120.500 -0.012 0.000 2.241 349 R HA -0.013 4.326 4.340 -0.001 0.000 0.224 349 R C 2.359 178.724 176.300 0.108 0.000 1.101 349 R CA 1.570 57.680 56.100 0.017 0.000 0.995 349 R CB -0.791 29.483 30.300 -0.043 0.000 0.870 349 R HN 0.802 nan 8.270 nan 0.000 0.463 350 E N -0.322 119.916 120.200 0.063 0.000 2.158 350 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 350 E C 0.927 177.571 176.600 0.073 0.000 0.982 350 E CA 1.331 57.770 56.400 0.065 0.000 0.823 350 E CB -0.135 29.583 29.700 0.031 0.000 0.766 350 E HN 0.454 nan 8.360 nan 0.000 0.468 351 D N -0.777 119.659 120.400 0.059 0.000 2.194 351 D HA 0.029 4.669 4.640 -0.001 0.000 0.204 351 D C 1.584 177.940 176.300 0.094 0.000 0.964 351 D CA 0.703 54.728 54.000 0.042 0.000 0.846 351 D CB -0.456 40.327 40.800 -0.028 0.000 0.962 351 D HN 0.397 nan 8.370 nan 0.000 0.490 352 F N 1.289 121.227 119.950 -0.019 0.000 2.069 352 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 352 F C 2.204 178.020 175.800 0.026 0.000 1.113 352 F CA 1.493 59.497 58.000 0.008 0.000 1.214 352 F CB -0.220 38.769 39.000 -0.019 0.000 0.978 352 F HN -0.156 nan 8.300 nan 0.000 0.474 353 M N -0.437 119.304 119.600 0.234 0.000 2.279 353 M HA -0.189 4.291 4.480 -0.001 0.000 0.264 353 M C 2.051 178.352 176.300 0.001 0.000 1.062 353 M CA 1.554 56.922 55.300 0.113 0.000 1.099 353 M CB -0.470 32.226 32.600 0.160 0.000 1.394 353 M HN 0.110 nan 8.290 nan 0.000 0.426 354 S N 0.241 115.945 115.700 0.008 0.000 2.414 354 S HA 0.025 4.495 4.470 -0.001 0.000 0.227 354 S C 2.025 176.603 174.600 -0.036 0.000 1.022 354 S CA 1.024 59.220 58.200 -0.005 0.000 0.958 354 S CB -0.460 62.750 63.200 0.016 0.000 0.797 354 S HN 0.660 nan 8.310 nan 0.000 0.493 355 G N 1.767 110.533 108.800 -0.057 0.000 2.414 355 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.215 355 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.215 355 G C 1.456 176.255 174.900 -0.169 0.000 1.188 355 G CA 0.847 45.903 45.100 -0.074 0.000 0.783 355 G HN 0.371 nan 8.290 nan 0.000 0.537 356 V N 1.007 120.738 119.914 -0.305 0.000 2.317 356 V HA -0.250 3.870 4.120 -0.001 0.000 0.251 356 V C 2.722 178.721 176.094 -0.158 0.000 1.065 356 V CA 2.543 64.677 62.300 -0.277 0.000 1.049 356 V CB -0.404 31.242 31.823 -0.296 0.000 0.651 356 V HN 0.491 nan 8.190 nan 0.000 0.450 357 K N -0.521 119.805 120.400 -0.123 0.000 2.155 357 K HA -0.057 4.262 4.320 -0.001 0.000 0.203 357 K C 2.013 178.543 176.600 -0.117 0.000 1.052 357 K CA 1.166 57.387 56.287 -0.109 0.000 0.948 357 K CB -0.111 32.347 32.500 -0.071 0.000 0.728 357 K HN 0.406 nan 8.250 nan 0.000 0.448 358 L N 0.235 121.404 121.223 -0.090 0.000 2.156 358 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 358 L C 2.014 178.836 176.870 -0.080 0.000 1.095 358 L CA 0.876 55.677 54.840 -0.065 0.000 0.770 358 L CB -0.114 41.924 42.059 -0.036 0.000 0.914 358 L HN 0.170 nan 8.230 nan 0.000 0.439 359 S N -0.866 114.769 115.700 -0.108 0.000 2.436 359 S HA 0.010 4.480 4.470 -0.001 0.000 0.228 359 S C 0.944 175.411 174.600 -0.222 0.000 1.014 359 S CA 0.406 58.534 58.200 -0.120 0.000 0.950 359 S CB 0.350 63.473 63.200 -0.128 0.000 0.784 359 S HN 0.154 nan 8.310 nan 0.000 0.504 360 V N 2.954 122.710 119.914 -0.264 0.000 2.454 360 V HA 0.205 4.325 4.120 -0.001 0.000 0.255 360 V C -1.755 174.055 176.094 -0.473 0.000 1.009 360 V CA -1.380 60.659 62.300 -0.436 0.000 1.149 360 V CB 0.708 32.331 31.823 -0.333 0.000 1.418 360 V HN 0.160 nan 8.190 nan 0.000 0.567 361 P HA -0.221 nan 4.420 nan 0.000 0.217 361 P C 1.147 177.964 177.300 -0.804 0.000 1.151 361 P CA 1.720 64.491 63.100 -0.548 0.000 0.849 361 P CB -0.049 31.385 31.700 -0.443 0.000 0.787 362 H N -1.092 117.665 119.070 -0.521 0.000 2.543 362 H HA 0.495 5.051 4.556 -0.001 0.000 0.269 362 H C 0.390 175.589 175.328 -0.216 0.000 1.005 362 H CA -0.161 55.655 56.048 -0.387 0.000 1.146 362 H CB -0.500 29.178 29.762 -0.139 0.000 1.353 362 H HN 0.007 nan 8.280 nan 0.000 0.595 363 A N 2.153 124.704 122.820 -0.448 0.000 2.306 363 A HA 0.308 4.627 4.320 -0.001 0.000 0.314 363 A C 0.272 177.763 177.584 -0.155 0.000 1.164 363 A CA -0.744 51.134 52.037 -0.265 0.000 0.822 363 A CB 0.787 19.618 19.000 -0.281 0.000 1.130 363 A HN 0.597 nan 8.150 nan 0.000 0.496 364 N N 1.214 119.861 118.700 -0.087 0.000 2.322 364 N HA 0.117 4.856 4.740 -0.001 0.000 0.270 364 N C -0.139 175.345 175.510 -0.042 0.000 1.286 364 N CA -0.284 52.735 53.050 -0.052 0.000 0.948 364 N CB 0.048 38.518 38.487 -0.029 0.000 1.164 364 N HN 0.470 nan 8.380 nan 0.000 0.551 365 D N -1.005 119.384 120.400 -0.020 0.000 2.144 365 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 365 D C 1.659 177.967 176.300 0.014 0.000 0.978 365 D CA 0.617 54.615 54.000 -0.003 0.000 0.833 365 D CB -0.235 40.569 40.800 0.006 0.000 0.961 365 D HN 0.426 nan 8.370 nan 0.000 0.470 366 L N 0.386 121.616 121.223 0.012 0.000 2.141 366 L HA 0.064 4.403 4.340 -0.001 0.000 0.209 366 L C 2.023 178.920 176.870 0.045 0.000 1.094 366 L CA 1.708 56.566 54.840 0.031 0.000 0.763 366 L CB -0.811 41.260 42.059 0.020 0.000 0.908 366 L HN 0.050 nan 8.230 nan 0.000 0.437 367 G N -0.463 108.343 108.800 0.010 0.000 2.414 367 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.215 367 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.215 367 G C 1.566 176.492 174.900 0.043 0.000 1.188 367 G CA 0.867 45.971 45.100 0.007 0.000 0.783 367 G HN 0.417 nan 8.290 nan 0.000 0.537 368 L N 0.454 121.684 121.223 0.010 0.000 2.187 368 L HA -0.078 4.261 4.340 -0.001 0.000 0.213 368 L C 2.357 179.280 176.870 0.089 0.000 1.100 368 L CA 0.990 55.846 54.840 0.028 0.000 0.765 368 L CB -0.295 41.763 42.059 -0.002 0.000 0.904 368 L HN 0.095 nan 8.230 nan 0.000 0.437 369 D N -0.079 120.377 120.400 0.094 0.000 2.149 369 D HA -0.093 4.547 4.640 -0.001 0.000 0.201 369 D C 2.233 178.624 176.300 0.151 0.000 0.972 369 D CA 1.304 55.379 54.000 0.124 0.000 0.835 369 D CB 0.065 40.921 40.800 0.094 0.000 0.966 369 D HN 0.271 nan 8.370 nan 0.000 0.476 370 A N 0.106 123.028 122.820 0.170 0.000 1.929 370 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 370 A C 2.400 180.035 177.584 0.084 0.000 1.176 370 A CA 0.921 53.086 52.037 0.212 0.000 0.628 370 A CB -0.559 18.705 19.000 0.439 0.000 0.816 370 A HN 0.130 nan 8.150 nan 0.000 0.444 371 V N -0.104 119.901 119.914 0.153 0.000 2.261 371 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 371 V C 2.753 178.947 176.094 0.166 0.000 1.047 371 V CA 2.530 64.890 62.300 0.100 0.000 1.015 371 V CB -1.437 30.494 31.823 0.179 0.000 0.642 371 V HN 0.594 nan 8.190 nan 0.000 0.446 372 T N 0.879 115.567 114.554 0.224 0.000 2.652 372 T HA -0.245 4.105 4.350 -0.001 0.000 0.267 372 T C 1.932 176.778 174.700 0.243 0.000 1.039 372 T CA 2.060 64.361 62.100 0.336 0.000 1.153 372 T CB -0.478 68.613 68.868 0.371 0.000 0.863 372 T HN 0.330 nan 8.240 nan 0.000 0.428 373 L N 1.037 122.423 121.223 0.272 0.000 2.079 373 L HA -0.122 4.218 4.340 -0.001 0.000 0.210 373 L C 2.453 179.373 176.870 0.084 0.000 1.081 373 L CA 1.868 56.917 54.840 0.348 0.000 0.752 373 L CB -0.713 41.474 42.059 0.214 0.000 0.896 373 L HN 0.121 nan 8.230 nan 0.000 0.433 374 Q N -1.398 118.314 119.800 -0.147 0.000 2.123 374 Q HA -0.134 4.205 4.340 -0.001 0.000 0.199 374 Q C 1.329 177.052 176.000 -0.461 0.000 0.966 374 Q CA 1.754 57.298 55.803 -0.432 0.000 0.845 374 Q CB -0.224 27.955 28.738 -0.932 0.000 0.907 374 Q HN 0.702 nan 8.270 nan 0.000 0.439 375 Y N -0.682 119.553 120.300 -0.109 0.000 2.493 375 Y HA 0.298 4.848 4.550 -0.001 0.000 0.275 375 Y C -0.164 175.664 175.900 -0.121 0.000 1.183 375 Y CA -0.075 58.018 58.100 -0.012 0.000 1.258 375 Y CB 0.786 39.348 38.460 0.170 0.000 1.108 375 Y HN -0.160 nan 8.280 nan 0.000 0.521 376 T N 0.133 114.526 114.554 -0.269 0.000 2.823 376 T HA 0.109 4.458 4.350 -0.001 0.000 0.279 376 T C -0.844 173.431 174.700 -0.708 0.000 0.998 376 T CA -0.716 60.968 62.100 -0.694 0.000 0.994 376 T CB 1.303 69.339 68.868 -1.388 0.000 0.960 376 T HN -0.046 nan 8.240 nan 0.000 0.448 377 D N 1.690 121.751 120.400 -0.565 0.000 2.479 377 D HA 0.146 4.785 4.640 -0.001 0.000 0.218 377 D C 0.108 176.190 176.300 -0.364 0.000 1.131 377 D CA -0.799 52.999 54.000 -0.337 0.000 0.916 377 D CB 0.170 40.848 40.800 -0.204 0.000 1.022 377 D HN 0.603 nan 8.370 nan 0.000 0.515 378 W N 2.629 123.884 121.300 -0.075 0.000 2.747 378 W HA -0.003 4.656 4.660 -0.001 0.000 0.244 378 W C 1.892 178.376 176.519 -0.058 0.000 1.270 378 W CA -0.133 57.170 57.345 -0.070 0.000 1.333 378 W CB -0.086 29.338 29.460 -0.060 0.000 1.139 378 W HN 0.389 nan 8.180 nan 0.000 0.662 379 M N 0.548 120.208 119.600 0.100 0.000 2.475 379 M HA 0.056 4.536 4.480 -0.001 0.000 0.261 379 M C -0.336 175.970 176.300 0.011 0.000 1.177 379 M CA 0.652 55.989 55.300 0.062 0.000 0.979 379 M CB 0.363 32.988 32.600 0.042 0.000 1.482 379 M HN -0.222 nan 8.290 nan 0.000 0.484 380 D N -0.159 120.226 120.400 -0.024 0.000 4.301 380 D HA -0.057 4.582 4.640 -0.001 0.000 0.244 380 D C 0.119 176.354 176.300 -0.108 0.000 1.450 380 D CA 0.195 54.164 54.000 -0.052 0.000 0.805 380 D CB 0.016 40.784 40.800 -0.054 0.000 1.354 380 D HN 0.455 nan 8.370 nan 0.000 0.861 381 D N -0.855 119.482 120.400 -0.105 0.000 2.371 381 D HA -0.083 4.556 4.640 -0.001 0.000 0.221 381 D C 0.417 176.611 176.300 -0.177 0.000 0.986 381 D CA 0.245 54.126 54.000 -0.199 0.000 0.899 381 D CB 0.095 40.818 40.800 -0.129 0.000 0.902 381 D HN 0.222 nan 8.370 nan 0.000 0.530 382 N N 0.659 119.295 118.700 -0.105 0.000 2.214 382 N HA -0.041 4.698 4.740 -0.001 0.000 0.214 382 N C 0.066 175.519 175.510 -0.095 0.000 1.132 382 N CA -0.253 52.742 53.050 -0.091 0.000 0.856 382 N CB 0.149 38.606 38.487 -0.050 0.000 1.020 382 N HN 0.125 nan 8.380 nan 0.000 0.509 383 N N 1.327 119.961 118.700 -0.109 0.000 2.416 383 N HA 0.021 4.761 4.740 -0.001 0.000 0.265 383 N C 1.202 176.652 175.510 -0.100 0.000 1.195 383 N CA 0.095 53.090 53.050 -0.091 0.000 0.943 383 N CB 0.962 39.399 38.487 -0.084 0.000 1.115 383 N HN 0.159 nan 8.380 nan 0.000 0.481 384 G N 4.064 112.811 108.800 -0.089 0.000 2.471 384 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.219 384 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.219 384 G C 1.553 176.401 174.900 -0.087 0.000 1.125 384 G CA 0.271 45.310 45.100 -0.101 0.000 0.775 384 G HN 0.680 nan 8.290 nan 0.000 0.548 385 I N -0.045 120.491 120.570 -0.058 0.000 2.333 385 I HA -0.058 4.112 4.170 -0.001 0.000 0.246 385 I C 2.661 178.783 176.117 0.007 0.000 1.106 385 I CA 0.853 62.140 61.300 -0.021 0.000 1.411 385 I CB -0.108 37.889 38.000 -0.005 0.000 1.082 385 I HN 0.129 nan 8.210 nan 0.000 0.420 386 K N 0.700 121.089 120.400 -0.019 0.000 2.147 386 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 386 K C 1.698 178.297 176.600 -0.001 0.000 1.049 386 K CA 1.115 57.393 56.287 -0.014 0.000 0.936 386 K CB -0.174 32.285 32.500 -0.069 0.000 0.722 386 K HN 0.332 nan 8.250 nan 0.000 0.446 387 N N 0.817 119.493 118.700 -0.041 0.000 2.331 387 N HA -0.128 4.612 4.740 -0.001 0.000 0.180 387 N C 1.716 177.369 175.510 0.238 0.000 1.019 387 N CA 0.657 53.728 53.050 0.034 0.000 0.881 387 N CB -0.081 38.372 38.487 -0.056 0.000 0.972 387 N HN 0.202 nan 8.380 nan 0.000 0.435 388 R N 1.376 121.945 120.500 0.116 0.000 2.057 388 R HA -0.079 4.260 4.340 -0.001 0.000 0.229 388 R C 0.677 177.155 176.300 0.297 0.000 1.136 388 R CA 1.334 57.531 56.100 0.161 0.000 0.952 388 R CB -0.084 30.214 30.300 -0.004 0.000 0.848 388 R HN 0.041 nan 8.270 nan 0.000 0.430 389 D N -0.393 120.146 120.400 0.231 0.000 2.117 389 D HA -0.078 4.561 4.640 -0.001 0.000 0.198 389 D C 1.712 178.161 176.300 0.249 0.000 0.982 389 D CA 1.499 55.642 54.000 0.239 0.000 0.828 389 D CB -0.592 40.319 40.800 0.184 0.000 0.967 389 D HN 0.499 nan 8.370 nan 0.000 0.464 390 G N 0.211 109.169 108.800 0.264 0.000 2.498 390 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.219 390 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.219 390 G C 1.459 176.542 174.900 0.305 0.000 1.119 390 G CA 0.242 45.547 45.100 0.343 0.000 0.766 390 G HN 0.183 nan 8.290 nan 0.000 0.552 391 L N 0.354 121.744 121.223 0.277 0.000 2.298 391 L HA 0.239 4.578 4.340 -0.001 0.000 0.209 391 L C 2.122 179.042 176.870 0.083 0.000 1.084 391 L CA 1.519 56.422 54.840 0.105 0.000 0.816 391 L CB -0.180 41.992 42.059 0.188 0.000 0.967 391 L HN 0.241 nan 8.230 nan 0.000 0.460 392 D N -0.719 119.790 120.400 0.183 0.000 2.123 392 D HA -0.232 4.407 4.640 -0.001 0.000 0.196 392 D C 1.536 177.910 176.300 0.122 0.000 0.992 392 D CA 1.553 55.655 54.000 0.170 0.000 0.833 392 D CB 0.175 41.124 40.800 0.248 0.000 0.954 392 D HN 0.278 nan 8.370 nan 0.000 0.455 393 D N -0.293 120.189 120.400 0.136 0.000 2.117 393 D HA -0.101 4.539 4.640 -0.001 0.000 0.198 393 D C 2.234 178.516 176.300 -0.030 0.000 0.982 393 D CA 0.558 54.643 54.000 0.141 0.000 0.828 393 D CB -0.244 40.734 40.800 0.298 0.000 0.967 393 D HN 0.384 nan 8.370 nan 0.000 0.464 394 I N 0.450 120.859 120.570 -0.268 0.000 2.127 394 I HA -0.258 3.912 4.170 -0.001 0.000 0.241 394 I C 2.365 178.350 176.117 -0.221 0.000 1.075 394 I CA 0.796 61.856 61.300 -0.400 0.000 1.334 394 I CB -0.235 37.532 38.000 -0.388 0.000 1.040 394 I HN -0.089 nan 8.210 nan 0.000 0.405 395 V N 0.928 120.774 119.914 -0.115 0.000 2.343 395 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 395 V C 2.530 178.588 176.094 -0.061 0.000 1.051 395 V CA 2.146 64.417 62.300 -0.049 0.000 1.036 395 V CB -1.498 30.355 31.823 0.050 0.000 0.654 395 V HN 0.583 nan 8.190 nan 0.000 0.451 396 G N -0.198 108.599 108.800 -0.006 0.000 2.414 396 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 396 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 396 G C 1.195 176.042 174.900 -0.088 0.000 1.188 396 G CA 0.990 46.099 45.100 0.016 0.000 0.783 396 G HN 0.488 nan 8.290 nan 0.000 0.537 397 D N 0.003 120.348 120.400 -0.091 0.000 2.103 397 D HA -0.152 4.488 4.640 -0.001 0.000 0.190 397 D C 2.072 178.049 176.300 -0.539 0.000 0.997 397 D CA 1.617 55.518 54.000 -0.165 0.000 0.833 397 D CB -0.717 40.109 40.800 0.044 0.000 0.961 397 D HN 0.467 nan 8.370 nan 0.000 0.447 398 H N 0.758 119.167 119.070 -1.101 0.000 2.319 398 H HA -0.032 4.524 4.556 -0.001 0.000 0.299 398 H C 1.534 176.489 175.328 -0.622 0.000 1.092 398 H CA 2.039 57.306 56.048 -1.301 0.000 1.302 398 H CB -0.040 28.801 29.762 -1.535 0.000 1.373 398 H HN 0.025 nan 8.280 nan 0.000 0.497 399 N N -0.749 117.549 118.700 -0.670 0.000 2.415 399 N HA -0.019 4.720 4.740 -0.001 0.000 0.176 399 N C 1.131 176.397 175.510 -0.408 0.000 1.042 399 N CA 1.143 53.768 53.050 -0.708 0.000 0.902 399 N CB 0.982 38.766 38.487 -1.172 0.000 0.986 399 N HN 0.302 nan 8.380 nan 0.000 0.447 400 V N 0.274 120.032 119.914 -0.261 0.000 3.279 400 V HA 0.144 4.264 4.120 -0.001 0.000 0.213 400 V C 2.024 178.090 176.094 -0.047 0.000 1.335 400 V CA -0.117 62.142 62.300 -0.068 0.000 1.317 400 V CB 0.224 32.085 31.823 0.063 0.000 1.209 400 V HN -0.060 nan 8.190 nan 0.000 0.525 401 I N 0.733 121.291 120.570 -0.021 0.000 2.127 401 I HA -0.311 3.859 4.170 -0.001 0.000 0.241 401 I C 2.427 178.543 176.117 -0.001 0.000 1.075 401 I CA 2.042 63.352 61.300 0.017 0.000 1.334 401 I CB -0.436 37.611 38.000 0.078 0.000 1.040 401 I HN 0.401 nan 8.210 nan 0.000 0.405 402 c N 0.234 118.816 118.600 -0.030 0.000 2.464 402 c HA 0.037 4.606 4.570 -0.001 0.000 0.278 402 c C 0.042 174.143 174.090 0.017 0.000 1.375 402 c CA 0.282 56.629 56.329 0.031 0.000 1.761 402 c CB -1.572 41.002 42.510 0.107 0.000 1.944 402 c HN 0.359 nan 8.230 nan 0.000 0.509 403 P HA -0.026 nan 4.420 nan 0.000 0.222 403 P C 1.668 178.981 177.300 0.021 0.000 1.153 403 P CA 0.820 63.878 63.100 -0.069 0.000 0.798 403 P CB -0.091 31.476 31.700 -0.221 0.000 0.796 404 L N -1.606 119.611 121.223 -0.010 0.000 2.109 404 L HA -0.060 4.279 4.340 -0.001 0.000 0.207 404 L C 1.894 178.800 176.870 0.061 0.000 1.086 404 L CA 1.480 56.327 54.840 0.012 0.000 0.760 404 L CB -0.467 41.570 42.059 -0.037 0.000 0.910 404 L HN -0.115 nan 8.230 nan 0.000 0.437 405 M N -1.320 118.311 119.600 0.053 0.000 2.476 405 M HA -0.148 4.331 4.480 -0.001 0.000 0.262 405 M C 2.012 178.386 176.300 0.123 0.000 1.079 405 M CA 1.282 56.614 55.300 0.053 0.000 1.104 405 M CB -1.398 31.246 32.600 0.075 0.000 1.409 405 M HN 0.424 nan 8.290 nan 0.000 0.467 406 H N -0.393 118.715 119.070 0.062 0.000 2.448 406 H HA -0.067 4.488 4.556 -0.001 0.000 0.292 406 H C 1.769 177.153 175.328 0.093 0.000 1.035 406 H CA 1.244 57.337 56.048 0.074 0.000 1.349 406 H CB -0.037 29.761 29.762 0.060 0.000 1.425 406 H HN 0.216 nan 8.280 nan 0.000 0.539 407 F N 0.135 120.056 119.950 -0.050 0.000 2.128 407 F HA -0.084 4.443 4.527 -0.001 0.000 0.295 407 F C 2.028 177.764 175.800 -0.108 0.000 1.100 407 F CA 1.211 59.140 58.000 -0.118 0.000 1.260 407 F CB -0.634 38.297 39.000 -0.116 0.000 1.009 407 F HN 0.037 nan 8.300 nan 0.000 0.476 408 V N 1.344 121.218 119.914 -0.065 0.000 2.287 408 V HA -0.363 3.757 4.120 -0.001 0.000 0.248 408 V C 2.191 178.217 176.094 -0.113 0.000 1.053 408 V CA 2.328 64.502 62.300 -0.211 0.000 1.027 408 V CB -0.897 30.692 31.823 -0.390 0.000 0.646 408 V HN 0.417 nan 8.190 nan 0.000 0.447 409 N N -0.233 118.455 118.700 -0.020 0.000 2.309 409 N HA -0.111 4.629 4.740 -0.001 0.000 0.182 409 N C 1.809 177.280 175.510 -0.064 0.000 1.018 409 N CA 0.857 53.949 53.050 0.070 0.000 0.876 409 N CB -0.143 38.399 38.487 0.092 0.000 0.972 409 N HN 0.428 nan 8.380 nan 0.000 0.434 410 K N 0.355 120.641 120.400 -0.190 0.000 2.076 410 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 410 K C 1.889 178.434 176.600 -0.092 0.000 1.051 410 K CA 0.497 56.678 56.287 -0.177 0.000 0.949 410 K CB -0.636 31.705 32.500 -0.265 0.000 0.726 410 K HN 0.231 nan 8.250 nan 0.000 0.443 411 Y N 2.278 122.328 120.300 -0.416 0.000 2.109 411 Y HA -0.207 4.342 4.550 -0.001 0.000 0.285 411 Y C 2.260 178.148 175.900 -0.020 0.000 1.131 411 Y CA 1.960 59.837 58.100 -0.371 0.000 1.121 411 Y CB -0.549 37.391 38.460 -0.866 0.000 0.987 411 Y HN 0.007 nan 8.280 nan 0.000 0.495 412 T N -0.405 114.192 114.554 0.071 0.000 2.896 412 T HA -0.252 4.097 4.350 -0.001 0.000 0.270 412 T C 1.874 176.540 174.700 -0.058 0.000 1.104 412 T CA 1.644 63.797 62.100 0.089 0.000 1.115 412 T CB -0.354 68.664 68.868 0.251 0.000 0.843 412 T HN 0.141 nan 8.240 nan 0.000 0.523 413 K N -0.334 119.953 120.400 -0.189 0.000 2.486 413 K HA 0.116 4.436 4.320 -0.001 0.000 0.194 413 K C 0.837 177.056 176.600 -0.634 0.000 1.033 413 K CA 0.426 56.447 56.287 -0.442 0.000 1.004 413 K CB -0.360 31.760 32.500 -0.634 0.000 0.798 413 K HN 0.595 nan 8.250 nan 0.000 0.495 414 F N -1.927 117.949 119.950 -0.122 0.000 2.925 414 F HA 0.414 4.941 4.527 -0.001 0.000 0.359 414 F C 1.317 176.968 175.800 -0.249 0.000 1.038 414 F CA -0.465 57.413 58.000 -0.204 0.000 1.130 414 F CB -0.029 38.765 39.000 -0.343 0.000 1.093 414 F HN 0.157 nan 8.300 nan 0.000 0.561 415 G N 0.090 108.794 108.800 -0.160 0.000 2.621 415 G HA2 0.062 4.021 3.960 -0.001 0.000 0.271 415 G HA3 0.062 4.021 3.960 -0.001 0.000 0.271 415 G C 0.164 175.099 174.900 0.059 0.000 1.236 415 G CA -0.346 44.669 45.100 -0.142 0.000 0.958 415 G HN 0.245 nan 8.290 nan 0.000 0.512 416 N N -0.098 118.694 118.700 0.153 0.000 2.538 416 N HA 0.349 5.089 4.740 -0.001 0.000 0.291 416 N C 0.146 175.745 175.510 0.147 0.000 1.323 416 N CA 0.408 53.528 53.050 0.117 0.000 0.934 416 N CB 0.064 38.609 38.487 0.097 0.000 1.255 416 N HN 0.974 nan 8.380 nan 0.000 0.509 417 G N 0.764 109.656 108.800 0.154 0.000 2.873 417 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.507 417 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.507 417 G C -1.192 173.781 174.900 0.121 0.000 1.440 417 G CA -0.848 44.314 45.100 0.105 0.000 1.016 417 G HN 0.084 nan 8.290 nan 0.000 0.615 418 T N 1.781 116.283 114.554 -0.086 0.000 2.848 418 T HA 0.677 5.027 4.350 -0.001 0.000 0.285 418 T C -1.176 173.315 174.700 -0.349 0.000 0.995 418 T CA -0.320 61.747 62.100 -0.054 0.000 0.970 418 T CB 1.262 70.181 68.868 0.086 0.000 0.976 418 T HN 0.448 nan 8.240 nan 0.000 0.441 419 Y N 2.216 122.445 120.300 -0.118 0.000 2.338 419 Y HA 0.654 5.204 4.550 -0.001 0.000 0.333 419 Y C -0.531 175.425 175.900 0.093 0.000 0.968 419 Y CA -1.097 56.878 58.100 -0.208 0.000 1.123 419 Y CB 1.521 39.418 38.460 -0.939 0.000 1.165 419 Y HN 0.411 nan 8.280 nan 0.000 0.452 420 L N 6.089 127.661 121.223 0.581 0.000 2.333 420 L HA 0.575 4.915 4.340 -0.001 0.000 0.280 420 L C -1.213 176.054 176.870 0.662 0.000 1.004 420 L CA -1.010 54.090 54.840 0.433 0.000 0.820 420 L CB 0.624 42.765 42.059 0.136 0.000 1.247 420 L HN 0.522 nan 8.230 nan 0.000 0.416 421 Y N 3.438 124.018 120.300 0.467 0.000 2.549 421 Y HA 0.755 5.304 4.550 -0.001 0.000 0.339 421 Y C -1.616 174.522 175.900 0.398 0.000 1.053 421 Y CA -1.952 56.344 58.100 0.327 0.000 1.105 421 Y CB 1.279 39.864 38.460 0.209 0.000 1.258 421 Y HN 0.518 nan 8.280 nan 0.000 0.478 422 F N 4.129 124.372 119.950 0.489 0.000 2.577 422 F HA 0.443 4.970 4.527 -0.001 0.000 0.344 422 F C -1.852 174.243 175.800 0.492 0.000 1.145 422 F CA -1.989 56.225 58.000 0.357 0.000 0.996 422 F CB 0.665 39.839 39.000 0.291 0.000 1.248 422 F HN 0.550 nan 8.300 nan 0.000 0.447 423 F N 7.597 127.583 119.950 0.059 0.000 2.444 423 F HA 0.305 4.831 4.527 -0.001 0.000 0.360 423 F C 0.094 175.717 175.800 -0.296 0.000 1.106 423 F CA -0.561 57.429 58.000 -0.016 0.000 1.170 423 F CB 0.456 39.519 39.000 0.106 0.000 1.113 423 F HN 0.518 nan 8.300 nan 0.000 0.521 424 N N 3.871 122.209 118.700 -0.603 0.000 2.679 424 N HA 0.131 4.871 4.740 -0.001 0.000 0.302 424 N C -1.551 173.682 175.510 -0.463 0.000 1.941 424 N CA -0.538 52.233 53.050 -0.465 0.000 0.875 424 N CB -0.255 38.148 38.487 -0.141 0.000 1.278 424 N HN 0.652 nan 8.380 nan 0.000 0.490 425 H N -0.214 118.270 119.070 -0.977 0.000 2.689 425 H HA 0.461 5.016 4.556 -0.001 0.000 0.346 425 H C -1.042 174.025 175.328 -0.434 0.000 1.037 425 H CA -0.664 54.978 56.048 -0.677 0.000 1.234 425 H CB 1.524 30.813 29.762 -0.789 0.000 1.572 425 H HN 0.254 nan 8.280 nan 0.000 0.524 426 R N 4.296 124.322 120.500 -0.790 0.000 2.198 426 R HA 0.604 4.943 4.340 -0.001 0.000 0.339 426 R C -0.624 175.369 176.300 -0.511 0.000 1.020 426 R CA -0.573 55.261 56.100 -0.444 0.000 0.864 426 R CB 0.407 30.553 30.300 -0.256 0.000 1.105 426 R HN 0.757 nan 8.270 nan 0.000 0.463 427 A N 3.127 125.929 122.820 -0.029 0.000 2.565 427 A HA -0.016 4.303 4.320 -0.001 0.000 0.237 427 A C 1.372 179.027 177.584 0.119 0.000 1.053 427 A CA 0.597 52.832 52.037 0.331 0.000 0.755 427 A CB 0.306 19.674 19.000 0.614 0.000 0.980 427 A HN 1.036 nan 8.150 nan 0.000 0.506 428 S N 1.677 117.477 115.700 0.167 0.000 2.419 428 S HA -0.173 4.296 4.470 -0.001 0.000 0.233 428 S C 0.947 175.535 174.600 -0.020 0.000 1.016 428 S CA 1.251 59.486 58.200 0.058 0.000 0.974 428 S CB -0.442 62.818 63.200 0.100 0.000 0.786 428 S HN 0.942 nan 8.310 nan 0.000 0.492 429 N N 0.705 119.351 118.700 -0.089 0.000 2.279 429 N HA 0.238 4.978 4.740 -0.001 0.000 0.226 429 N C -0.348 175.095 175.510 -0.112 0.000 1.126 429 N CA -0.475 52.478 53.050 -0.163 0.000 0.846 429 N CB -0.548 37.727 38.487 -0.353 0.000 1.050 429 N HN 0.324 nan 8.380 nan 0.000 0.502 430 L N 1.513 122.716 121.223 -0.034 0.000 2.453 430 L HA 0.047 4.386 4.340 -0.001 0.000 0.272 430 L C 1.152 178.004 176.870 -0.030 0.000 1.182 430 L CA 0.030 54.870 54.840 -0.000 0.000 0.858 430 L CB 1.159 43.225 42.059 0.012 0.000 1.120 430 L HN 0.228 nan 8.230 nan 0.000 0.474 431 V N 0.658 120.528 119.914 -0.073 0.000 3.444 431 V HA 0.234 4.353 4.120 -0.001 0.000 0.308 431 V C 0.208 176.281 176.094 -0.034 0.000 1.371 431 V CA -0.609 61.639 62.300 -0.088 0.000 1.141 431 V CB -1.290 30.427 31.823 -0.177 0.000 1.037 431 V HN 0.633 nan 8.190 nan 0.000 0.433 432 W N 1.457 122.768 121.300 0.018 0.000 2.436 432 W HA 0.607 5.267 4.660 -0.001 0.000 0.347 432 W C -1.898 174.543 176.519 -0.130 0.000 1.136 432 W CA -2.291 55.046 57.345 -0.013 0.000 1.286 432 W CB 0.496 29.858 29.460 -0.163 0.000 1.253 432 W HN -0.053 nan 8.180 nan 0.000 0.617 433 P HA -0.057 nan 4.420 nan 0.000 0.268 433 P C 0.194 177.415 177.300 -0.133 0.000 1.205 433 P CA 0.436 63.515 63.100 -0.034 0.000 0.771 433 P CB 0.956 32.653 31.700 -0.004 0.000 0.858 434 E N 1.888 122.087 120.200 -0.000 0.000 2.209 434 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 434 E C 1.615 178.238 176.600 0.039 0.000 0.993 434 E CA 0.976 57.383 56.400 0.010 0.000 0.819 434 E CB -0.144 29.594 29.700 0.063 0.000 0.745 434 E HN 0.664 nan 8.360 nan 0.000 0.477 435 W N -0.440 120.904 121.300 0.073 0.000 2.421 435 W HA -0.110 4.550 4.660 -0.001 0.000 0.270 435 W C 1.298 177.874 176.519 0.094 0.000 1.233 435 W CA 0.313 57.710 57.345 0.086 0.000 1.226 435 W CB -0.657 28.863 29.460 0.100 0.000 1.121 435 W HN 0.012 nan 8.180 nan 0.000 0.579 436 M N 1.303 120.532 119.600 -0.618 0.000 2.476 436 M HA 0.102 4.581 4.480 -0.001 0.000 0.262 436 M C 1.741 177.909 176.300 -0.220 0.000 1.079 436 M CA 1.712 56.635 55.300 -0.630 0.000 1.104 436 M CB -0.665 31.426 32.600 -0.848 0.000 1.409 436 M HN 0.177 nan 8.290 nan 0.000 0.467 437 G N 0.310 109.038 108.800 -0.120 0.000 2.550 437 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.277 437 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.277 437 G C -0.266 174.587 174.900 -0.079 0.000 1.190 437 G CA -0.310 44.757 45.100 -0.054 0.000 0.971 437 G HN 0.190 nan 8.290 nan 0.000 0.559 438 V N 1.770 121.658 119.914 -0.042 0.000 2.339 438 V HA 0.419 4.538 4.120 -0.001 0.000 0.261 438 V C 1.015 177.148 176.094 0.064 0.000 1.058 438 V CA -0.030 62.264 62.300 -0.010 0.000 0.897 438 V CB 0.231 32.013 31.823 -0.067 0.000 1.052 438 V HN 0.540 nan 8.190 nan 0.000 0.480 439 I N 3.305 123.910 120.570 0.057 0.000 2.638 439 I HA 0.203 4.372 4.170 -0.001 0.000 0.286 439 I C 0.796 177.083 176.117 0.284 0.000 1.088 439 I CA -0.611 60.741 61.300 0.085 0.000 1.397 439 I CB 0.388 38.286 38.000 -0.169 0.000 1.414 439 I HN 0.561 nan 8.210 nan 0.000 0.566 440 H N 4.044 123.164 119.070 0.084 0.000 3.125 440 H HA 0.155 4.711 4.556 -0.001 0.000 0.310 440 H C 1.019 176.333 175.328 -0.022 0.000 0.980 440 H CA 1.173 57.252 56.048 0.052 0.000 1.422 440 H CB 0.229 29.994 29.762 0.005 0.000 1.432 440 H HN 0.766 nan 8.280 nan 0.000 0.577 441 G N 3.523 112.186 108.800 -0.227 0.000 2.176 441 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.253 441 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.253 441 G C 0.520 175.346 174.900 -0.124 0.000 0.979 441 G CA 0.442 45.389 45.100 -0.255 0.000 0.641 441 G HN 0.645 nan 8.290 nan 0.000 0.530 442 Y N 1.188 121.590 120.300 0.170 0.000 2.468 442 Y HA 0.228 4.778 4.550 -0.001 0.000 0.268 442 Y C 2.338 178.402 175.900 0.274 0.000 1.177 442 Y CA 0.876 59.142 58.100 0.277 0.000 1.265 442 Y CB 0.410 39.045 38.460 0.291 0.000 1.103 442 Y HN 0.509 nan 8.280 nan 0.000 0.522 443 E N 0.347 120.575 120.200 0.047 0.000 2.166 443 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 443 E C 1.806 178.337 176.600 -0.115 0.000 0.967 443 E CA 0.764 56.895 56.400 -0.449 0.000 0.840 443 E CB -0.614 28.583 29.700 -0.838 0.000 0.795 443 E HN 0.494 nan 8.360 nan 0.000 0.470 444 I N 2.605 123.186 120.570 0.018 0.000 2.227 444 I HA -0.358 3.812 4.170 -0.001 0.000 0.250 444 I C 2.637 178.768 176.117 0.025 0.000 1.087 444 I CA 2.429 63.781 61.300 0.087 0.000 1.352 444 I CB -0.602 37.486 38.000 0.146 0.000 1.043 444 I HN 0.337 nan 8.210 nan 0.000 0.425 445 E N 0.535 120.714 120.200 -0.034 0.000 2.208 445 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 445 E C 2.021 178.448 176.600 -0.288 0.000 0.988 445 E CA 1.023 57.324 56.400 -0.165 0.000 0.828 445 E CB -0.399 29.203 29.700 -0.163 0.000 0.763 445 E HN 0.406 nan 8.360 nan 0.000 0.478 446 F N 1.227 121.055 119.950 -0.204 0.000 2.234 446 F HA -0.022 4.505 4.527 -0.001 0.000 0.296 446 F C 2.307 177.904 175.800 -0.339 0.000 1.089 446 F CA 0.514 58.351 58.000 -0.271 0.000 1.343 446 F CB -0.172 38.699 39.000 -0.214 0.000 1.040 446 F HN -0.126 nan 8.300 nan 0.000 0.498 447 V N -0.806 118.976 119.914 -0.219 0.000 2.343 447 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 447 V C 1.733 177.621 176.094 -0.342 0.000 1.051 447 V CA 1.686 63.722 62.300 -0.440 0.000 1.036 447 V CB -0.659 30.936 31.823 -0.379 0.000 0.654 447 V HN 0.192 nan 8.190 nan 0.000 0.451 448 F N 0.637 120.421 119.950 -0.276 0.000 2.804 448 F HA 0.380 4.906 4.527 -0.001 0.000 0.303 448 F C 1.789 177.445 175.800 -0.240 0.000 1.154 448 F CA 0.568 58.430 58.000 -0.230 0.000 1.401 448 F CB -0.590 38.251 39.000 -0.265 0.000 1.106 448 F HN 0.270 nan 8.300 nan 0.000 0.568 449 G N 0.542 109.220 108.800 -0.205 0.000 2.225 449 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.267 449 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.267 449 G C 1.185 175.737 174.900 -0.579 0.000 1.024 449 G CA 0.466 45.373 45.100 -0.322 0.000 0.784 449 G HN 0.447 nan 8.290 nan 0.000 0.507 450 L N -0.628 120.217 121.223 -0.630 0.000 2.131 450 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 450 L C -0.083 176.345 176.870 -0.737 0.000 1.092 450 L CA 1.509 55.923 54.840 -0.710 0.000 0.759 450 L CB -1.040 40.740 42.059 -0.465 0.000 0.903 450 L HN 0.155 nan 8.230 nan 0.000 0.435 451 P HA -0.124 nan 4.420 nan 0.000 0.240 451 P C 1.383 178.420 177.300 -0.437 0.000 1.186 451 P CA 1.075 63.551 63.100 -1.040 0.000 0.755 451 P CB 0.036 31.030 31.700 -1.177 0.000 0.870 452 L N -2.603 118.376 121.223 -0.407 0.000 2.513 452 L HA 0.087 4.427 4.340 -0.001 0.000 0.222 452 L C 0.487 177.248 176.870 -0.183 0.000 1.096 452 L CA 0.206 54.905 54.840 -0.236 0.000 0.857 452 L CB -0.039 41.904 42.059 -0.193 0.000 1.026 452 L HN -0.251 nan 8.230 nan 0.000 0.469 453 V N 1.717 121.479 119.914 -0.254 0.000 2.397 453 V HA 0.123 4.243 4.120 -0.001 0.000 0.262 453 V C 1.572 177.634 176.094 -0.052 0.000 1.047 453 V CA 0.437 62.653 62.300 -0.140 0.000 1.003 453 V CB 0.354 32.069 31.823 -0.180 0.000 1.037 453 V HN 0.378 nan 8.190 nan 0.000 0.480 454 K N 3.972 124.353 120.400 -0.032 0.000 2.044 454 K HA -0.214 4.105 4.320 -0.001 0.000 0.210 454 K C 2.094 178.685 176.600 -0.015 0.000 1.049 454 K CA 2.007 58.287 56.287 -0.011 0.000 0.927 454 K CB -1.225 31.267 32.500 -0.013 0.000 0.713 454 K HN 0.954 nan 8.250 nan 0.000 0.443 455 E N 0.707 120.891 120.200 -0.025 0.000 2.501 455 E HA 0.114 4.463 4.350 -0.001 0.000 0.203 455 E C 1.704 178.274 176.600 -0.050 0.000 1.072 455 E CA 1.205 57.584 56.400 -0.035 0.000 0.885 455 E CB -0.758 28.922 29.700 -0.034 0.000 0.813 455 E HN 0.610 nan 8.360 nan 0.000 0.556 456 L N -0.884 120.316 121.223 -0.040 0.000 2.616 456 L HA 0.146 4.486 4.340 -0.001 0.000 0.229 456 L C 0.170 176.937 176.870 -0.173 0.000 1.110 456 L CA 0.093 54.889 54.840 -0.075 0.000 0.884 456 L CB 0.045 42.120 42.059 0.027 0.000 1.115 456 L HN 0.216 nan 8.230 nan 0.000 0.481 457 N N -1.287 117.359 118.700 -0.091 0.000 2.815 457 N HA -0.209 4.531 4.740 -0.001 0.000 0.249 457 N C -0.365 175.063 175.510 -0.137 0.000 1.114 457 N CA 0.798 53.781 53.050 -0.112 0.000 0.717 457 N CB -1.856 36.543 38.487 -0.146 0.000 1.074 457 N HN 0.289 nan 8.380 nan 0.000 0.555 458 Y N 0.936 121.207 120.300 -0.048 0.000 2.230 458 Y HA 0.338 4.887 4.550 -0.001 0.000 0.354 458 Y C 1.941 177.850 175.900 0.015 0.000 1.343 458 Y CA 0.354 58.450 58.100 -0.008 0.000 1.693 458 Y CB 0.316 38.746 38.460 -0.050 0.000 1.553 458 Y HN 0.108 nan 8.280 nan 0.000 0.599 459 T N -2.311 112.391 114.554 0.246 0.000 2.943 459 T HA 0.563 4.912 4.350 -0.001 0.000 0.284 459 T C 0.978 175.748 174.700 0.117 0.000 1.015 459 T CA -0.396 61.791 62.100 0.146 0.000 1.042 459 T CB 1.523 70.477 68.868 0.143 0.000 1.055 459 T HN 0.746 nan 8.240 nan 0.000 0.500 460 A N 1.088 123.951 122.820 0.072 0.000 1.958 460 A HA -0.140 4.180 4.320 -0.001 0.000 0.221 460 A C 2.022 179.632 177.584 0.043 0.000 1.178 460 A CA 2.034 54.097 52.037 0.045 0.000 0.642 460 A CB -1.052 17.968 19.000 0.032 0.000 0.816 460 A HN 0.919 nan 8.150 nan 0.000 0.453 461 E N -0.311 119.922 120.200 0.056 0.000 2.285 461 E HA -0.055 4.294 4.350 -0.001 0.000 0.194 461 E C 1.876 178.498 176.600 0.036 0.000 0.997 461 E CA 1.076 57.497 56.400 0.035 0.000 0.845 461 E CB -0.087 29.633 29.700 0.033 0.000 0.782 461 E HN 0.775 nan 8.360 nan 0.000 0.491 462 E N 0.307 120.574 120.200 0.112 0.000 2.122 462 E HA -0.126 4.223 4.350 -0.001 0.000 0.190 462 E C 1.887 178.555 176.600 0.113 0.000 0.977 462 E CA 0.549 57.081 56.400 0.220 0.000 0.820 462 E CB 0.080 30.044 29.700 0.440 0.000 0.770 462 E HN 0.294 nan 8.360 nan 0.000 0.462 463 E N 1.182 121.394 120.200 0.020 0.000 2.110 463 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 463 E C 2.021 178.598 176.600 -0.038 0.000 0.988 463 E CA 0.977 57.337 56.400 -0.067 0.000 0.804 463 E CB -0.023 29.650 29.700 -0.044 0.000 0.745 463 E HN 0.180 nan 8.360 nan 0.000 0.458 464 A N 1.263 124.079 122.820 -0.007 0.000 1.877 464 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 464 A C 2.172 179.750 177.584 -0.010 0.000 1.186 464 A CA 1.433 53.461 52.037 -0.014 0.000 0.620 464 A CB -0.727 18.267 19.000 -0.009 0.000 0.822 464 A HN 0.404 nan 8.150 nan 0.000 0.443 465 L N -0.476 120.758 121.223 0.018 0.000 2.141 465 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 465 L C 2.532 179.452 176.870 0.083 0.000 1.094 465 L CA 2.308 57.167 54.840 0.032 0.000 0.763 465 L CB -0.605 41.437 42.059 -0.029 0.000 0.908 465 L HN 0.349 nan 8.230 nan 0.000 0.437 466 S N -0.486 115.274 115.700 0.099 0.000 2.344 466 S HA -0.202 4.267 4.470 -0.001 0.000 0.217 466 S C 2.156 176.717 174.600 -0.066 0.000 1.033 466 S CA 1.403 59.600 58.200 -0.005 0.000 1.017 466 S CB -0.195 62.887 63.200 -0.196 0.000 0.941 466 S HN 0.503 nan 8.310 nan 0.000 0.430 467 R N 0.521 120.981 120.500 -0.067 0.000 2.113 467 R HA -0.183 4.156 4.340 -0.001 0.000 0.244 467 R C 2.677 178.948 176.300 -0.049 0.000 1.142 467 R CA 2.074 58.139 56.100 -0.058 0.000 0.953 467 R CB -0.433 29.831 30.300 -0.061 0.000 0.860 467 R HN 0.474 nan 8.270 nan 0.000 0.438 468 R N 0.945 121.406 120.500 -0.066 0.000 2.096 468 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 468 R C 2.097 178.334 176.300 -0.105 0.000 1.127 468 R CA 1.438 57.462 56.100 -0.127 0.000 0.968 468 R CB -0.209 30.013 30.300 -0.129 0.000 0.861 468 R HN 0.214 nan 8.270 nan 0.000 0.440 469 I N 0.466 121.021 120.570 -0.025 0.000 2.252 469 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 469 I C 2.387 178.469 176.117 -0.058 0.000 1.102 469 I CA 1.263 62.545 61.300 -0.030 0.000 1.385 469 I CB -0.181 37.611 38.000 -0.346 0.000 1.064 469 I HN 0.294 nan 8.210 nan 0.000 0.414 470 M N -0.441 119.091 119.600 -0.112 0.000 2.117 470 M HA -0.261 4.219 4.480 -0.001 0.000 0.262 470 M C 2.427 178.808 176.300 0.135 0.000 1.065 470 M CA 1.782 57.047 55.300 -0.058 0.000 1.114 470 M CB -0.845 31.713 32.600 -0.071 0.000 1.361 470 M HN 0.262 nan 8.290 nan 0.000 0.408 471 H N -0.358 118.722 119.070 0.018 0.000 2.423 471 H HA -0.144 4.411 4.556 -0.001 0.000 0.297 471 H C 1.536 176.976 175.328 0.187 0.000 1.075 471 H CA 1.746 57.815 56.048 0.034 0.000 1.342 471 H CB 0.009 29.727 29.762 -0.074 0.000 1.395 471 H HN 0.282 nan 8.280 nan 0.000 0.530 472 Y N -1.172 119.294 120.300 0.277 0.000 2.220 472 Y HA -0.174 4.375 4.550 -0.001 0.000 0.291 472 Y C 2.345 178.487 175.900 0.403 0.000 1.129 472 Y CA 0.798 59.126 58.100 0.379 0.000 1.161 472 Y CB -0.744 38.155 38.460 0.731 0.000 0.997 472 Y HN 0.356 nan 8.280 nan 0.000 0.522 473 W N -0.742 120.658 121.300 0.167 0.000 2.407 473 W HA -0.140 4.519 4.660 -0.001 0.000 0.305 473 W C 2.558 179.074 176.519 -0.005 0.000 1.196 473 W CA 0.953 58.328 57.345 0.051 0.000 1.311 473 W CB -0.505 28.922 29.460 -0.054 0.000 1.135 473 W HN 0.019 nan 8.180 nan 0.000 0.514 474 A N 0.497 123.430 122.820 0.188 0.000 1.858 474 A HA -0.198 4.122 4.320 -0.001 0.000 0.216 474 A C 1.798 179.375 177.584 -0.013 0.000 1.190 474 A CA 2.515 54.580 52.037 0.046 0.000 0.617 474 A CB -1.386 17.641 19.000 0.045 0.000 0.827 474 A HN 0.193 nan 8.150 nan 0.000 0.443 475 T N -0.832 113.666 114.554 -0.092 0.000 2.849 475 T HA -0.133 4.216 4.350 -0.001 0.000 0.270 475 T C 1.504 176.157 174.700 -0.079 0.000 1.066 475 T CA 1.599 63.608 62.100 -0.153 0.000 1.130 475 T CB -0.364 68.311 68.868 -0.322 0.000 0.864 475 T HN 0.526 nan 8.240 nan 0.000 0.481 476 F N 1.754 121.605 119.950 -0.165 0.000 2.293 476 F HA 0.284 4.811 4.527 -0.001 0.000 0.297 476 F C 2.318 178.021 175.800 -0.161 0.000 1.089 476 F CA 0.549 58.407 58.000 -0.237 0.000 1.377 476 F CB -0.453 38.328 39.000 -0.364 0.000 1.051 476 F HN 0.113 nan 8.300 nan 0.000 0.511 477 A N 0.922 123.667 122.820 -0.125 0.000 1.902 477 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 477 A C 2.234 179.687 177.584 -0.218 0.000 1.181 477 A CA 1.975 53.907 52.037 -0.174 0.000 0.623 477 A CB -0.625 18.340 19.000 -0.060 0.000 0.818 477 A HN 0.481 nan 8.150 nan 0.000 0.443 478 K N -1.131 119.171 120.400 -0.163 0.000 2.031 478 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 478 K C 1.846 178.353 176.600 -0.154 0.000 1.049 478 K CA 1.704 57.916 56.287 -0.125 0.000 0.939 478 K CB -0.173 32.279 32.500 -0.080 0.000 0.717 478 K HN 0.666 nan 8.250 nan 0.000 0.438 479 T N -3.745 110.690 114.554 -0.198 0.000 3.040 479 T HA 0.248 4.597 4.350 -0.001 0.000 0.266 479 T C 1.193 175.747 174.700 -0.242 0.000 1.005 479 T CA 0.326 62.321 62.100 -0.175 0.000 0.906 479 T CB 0.925 69.724 68.868 -0.115 0.000 1.082 479 T HN 0.319 nan 8.240 nan 0.000 0.531 480 G N 1.557 110.071 108.800 -0.476 0.000 2.148 480 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.254 480 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.254 480 G C -0.151 174.581 174.900 -0.280 0.000 0.981 480 G CA 0.153 44.908 45.100 -0.575 0.000 0.670 480 G HN 0.871 nan 8.290 nan 0.000 0.528 481 N N -0.508 118.040 118.700 -0.254 0.000 2.369 481 N HA 0.407 5.146 4.740 -0.001 0.000 0.287 481 N C -1.857 173.479 175.510 -0.292 0.000 1.067 481 N CA -1.303 51.580 53.050 -0.279 0.000 0.888 481 N CB 2.466 40.901 38.487 -0.087 0.000 1.616 481 N HN -0.064 nan 8.380 nan 0.000 0.482 482 P HA -0.015 nan 4.420 nan 0.000 0.225 482 P C -0.382 176.983 177.300 0.108 0.000 1.156 482 P CA 0.564 63.541 63.100 -0.206 0.000 0.787 482 P CB 0.409 31.745 31.700 -0.605 0.000 0.802 483 N N 1.494 120.225 118.700 0.052 0.000 2.529 483 N HA 0.069 4.808 4.740 -0.001 0.000 0.278 483 N C 0.692 176.268 175.510 0.109 0.000 1.146 483 N CA -0.101 53.064 53.050 0.192 0.000 0.980 483 N CB 0.982 39.584 38.487 0.192 0.000 1.124 483 N HN 0.126 nan 8.380 nan 0.000 0.458 491 K N 1.966 122.478 120.400 0.186 0.000 2.172 491 K HA 0.551 4.870 4.320 -0.001 0.000 0.276 491 K C -0.414 176.378 176.600 0.319 0.000 1.013 491 K CA -0.585 55.851 56.287 0.248 0.000 0.913 491 K CB 0.533 33.152 32.500 0.199 0.000 1.055 491 K HN 0.855 nan 8.250 nan 0.000 0.461 492 W N 6.385 127.776 121.300 0.151 0.000 2.422 492 W HA 0.324 4.984 4.660 -0.001 0.000 0.349 492 W C -2.625 174.029 176.519 0.225 0.000 1.062 492 W CA -2.777 54.645 57.345 0.130 0.000 1.497 492 W CB -0.279 29.178 29.460 -0.005 0.000 1.407 492 W HN 0.481 nan 8.180 nan 0.000 0.393 493 P HA -0.149 nan 4.420 nan 0.000 0.266 493 P C -0.060 177.418 177.300 0.297 0.000 1.186 493 P CA 0.130 63.426 63.100 0.327 0.000 0.767 493 P CB 0.568 32.400 31.700 0.220 0.000 0.820 494 L N 3.744 125.008 121.223 0.068 0.000 2.453 494 L HA 0.411 4.750 4.340 -0.001 0.000 0.261 494 L C -0.530 176.313 176.870 -0.045 0.000 1.179 494 L CA -0.218 54.459 54.840 -0.272 0.000 0.813 494 L CB -0.089 41.829 42.059 -0.235 0.000 1.110 494 L HN 0.188 nan 8.230 nan 0.000 0.466 495 F N 2.493 122.319 119.950 -0.207 0.000 2.415 495 F HA 0.603 5.130 4.527 -0.001 0.000 0.348 495 F C -0.138 175.629 175.800 -0.055 0.000 1.119 495 F CA -0.168 57.808 58.000 -0.040 0.000 1.069 495 F CB 1.102 40.116 39.000 0.023 0.000 1.124 495 F HN 0.636 nan 8.300 nan 0.000 0.472 496 T N 0.521 114.742 114.554 -0.554 0.000 2.907 496 T HA 0.265 4.614 4.350 -0.001 0.000 0.292 496 T C 0.877 175.191 174.700 -0.643 0.000 1.043 496 T CA -0.052 61.812 62.100 -0.394 0.000 1.003 496 T CB 1.361 70.093 68.868 -0.228 0.000 1.084 496 T HN 0.671 nan 8.240 nan 0.000 0.483 497 T N -1.913 112.448 114.554 -0.323 0.000 3.025 497 T HA 0.034 4.383 4.350 -0.001 0.000 0.270 497 T C 1.953 176.532 174.700 -0.203 0.000 1.126 497 T CA 1.256 63.220 62.100 -0.228 0.000 1.105 497 T CB -0.664 68.153 68.868 -0.085 0.000 0.884 497 T HN 0.903 nan 8.240 nan 0.000 0.522 498 K N 1.465 121.745 120.400 -0.201 0.000 2.141 498 K HA 0.197 4.516 4.320 -0.001 0.000 0.202 498 K C 2.201 178.719 176.600 -0.137 0.000 1.045 498 K CA 0.791 56.999 56.287 -0.132 0.000 0.971 498 K CB -0.506 31.936 32.500 -0.098 0.000 0.795 498 K HN 0.423 nan 8.250 nan 0.000 0.459 499 E N 0.049 120.137 120.200 -0.186 0.000 2.190 499 E HA -0.058 4.292 4.350 -0.001 0.000 0.191 499 E C -0.112 176.386 176.600 -0.169 0.000 0.978 499 E CA 0.431 56.745 56.400 -0.144 0.000 0.839 499 E CB 0.562 30.192 29.700 -0.117 0.000 0.787 499 E HN 0.521 nan 8.360 nan 0.000 0.473 500 Q N 0.095 119.655 119.800 -0.401 0.000 2.503 500 Q HA -0.175 4.165 4.340 -0.001 0.000 0.267 500 Q C -0.454 175.593 176.000 0.079 0.000 1.030 500 Q CA 0.827 56.418 55.803 -0.353 0.000 1.041 500 Q CB -2.311 26.428 28.738 0.001 0.000 1.406 500 Q HN 0.316 nan 8.270 nan 0.000 0.524 501 K N 0.555 120.973 120.400 0.029 0.000 2.295 501 K HA 0.476 4.795 4.320 -0.001 0.000 0.270 501 K C 0.412 177.297 176.600 0.475 0.000 1.011 501 K CA 0.411 56.802 56.287 0.174 0.000 0.953 501 K CB 0.303 32.854 32.500 0.084 0.000 0.956 501 K HN 0.192 nan 8.250 nan 0.000 0.477 502 F N 0.024 120.148 119.950 0.290 0.000 2.745 502 F HA 0.642 5.169 4.527 -0.001 0.000 0.316 502 F C -1.144 174.755 175.800 0.166 0.000 1.155 502 F CA -1.474 56.716 58.000 0.317 0.000 0.937 502 F CB 0.756 39.939 39.000 0.304 0.000 1.361 502 F HN 0.404 nan 8.300 nan 0.000 0.472 503 I N -1.280 119.412 120.570 0.202 0.000 3.145 503 I HA 0.631 4.801 4.170 -0.001 0.000 0.313 503 I C -1.397 174.882 176.117 0.269 0.000 1.122 503 I CA -1.007 60.249 61.300 -0.074 0.000 0.987 503 I CB 2.142 39.926 38.000 -0.360 0.000 1.236 503 I HN 0.433 nan 8.210 nan 0.000 0.453 504 D N 3.009 123.526 120.400 0.195 0.000 2.225 504 D HA 0.499 5.139 4.640 -0.001 0.000 0.249 504 D C -0.749 175.654 176.300 0.172 0.000 1.052 504 D CA 0.046 54.255 54.000 0.348 0.000 0.909 504 D CB 2.503 43.489 40.800 0.309 0.000 1.186 504 D HN 0.426 nan 8.370 nan 0.000 0.431 505 L N 2.911 124.254 121.223 0.201 0.000 2.337 505 L HA 0.280 4.620 4.340 -0.001 0.000 0.269 505 L C -0.587 176.291 176.870 0.013 0.000 1.018 505 L CA -0.563 54.364 54.840 0.146 0.000 0.876 505 L CB 0.276 42.510 42.059 0.291 0.000 1.236 505 L HN 0.440 nan 8.230 nan 0.000 0.436 506 N N -1.015 117.666 118.700 -0.033 0.000 2.961 506 N HA 0.116 4.855 4.740 -0.001 0.000 0.245 506 N C 0.440 175.867 175.510 -0.138 0.000 1.404 506 N CA -0.368 52.588 53.050 -0.157 0.000 0.880 506 N CB 0.738 39.173 38.487 -0.086 0.000 1.461 506 N HN 0.137 nan 8.380 nan 0.000 0.510 507 T N -3.188 111.213 114.554 -0.254 0.000 3.052 507 T HA -0.071 4.279 4.350 -0.001 0.000 0.270 507 T C 0.178 174.852 174.700 -0.042 0.000 1.147 507 T CA 0.968 62.974 62.100 -0.155 0.000 1.089 507 T CB -0.540 68.219 68.868 -0.182 0.000 0.875 507 T HN 0.568 nan 8.240 nan 0.000 0.541 508 E N 1.756 121.948 120.200 -0.012 0.000 2.314 508 E HA 0.298 4.648 4.350 -0.001 0.000 0.262 508 E C -2.689 173.925 176.600 0.023 0.000 1.093 508 E CA -2.777 53.634 56.400 0.020 0.000 0.908 508 E CB 0.574 30.298 29.700 0.041 0.000 1.091 508 E HN 0.120 nan 8.360 nan 0.000 0.425 509 P HA -0.028 nan 4.420 nan 0.000 0.268 509 P C -0.453 176.865 177.300 0.028 0.000 1.282 509 P CA 0.205 63.323 63.100 0.030 0.000 0.880 509 P CB -0.132 31.585 31.700 0.028 0.000 0.971 510 M N 1.520 121.140 119.600 0.033 0.000 2.175 510 M HA 0.014 4.493 4.480 -0.001 0.000 0.355 510 M C -0.384 175.895 176.300 -0.036 0.000 1.102 510 M CA 0.865 56.173 55.300 0.012 0.000 0.886 510 M CB -0.078 32.535 32.600 0.022 0.000 1.730 510 M HN -0.099 nan 8.290 nan 0.000 0.475 511 K N 2.544 122.874 120.400 -0.117 0.000 2.400 511 K HA 0.822 5.141 4.320 -0.001 0.000 0.246 511 K C -1.043 175.267 176.600 -0.484 0.000 0.995 511 K CA -0.947 55.186 56.287 -0.255 0.000 0.840 511 K CB 2.501 34.842 32.500 -0.265 0.000 1.293 511 K HN 0.597 nan 8.250 nan 0.000 0.445 512 V N 2.094 121.698 119.914 -0.517 0.000 2.581 512 V HA 0.527 4.647 4.120 -0.001 0.000 0.303 512 V C -0.423 175.215 176.094 -0.761 0.000 1.041 512 V CA -0.632 61.352 62.300 -0.526 0.000 0.907 512 V CB 1.405 33.094 31.823 -0.223 0.000 0.994 512 V HN 0.792 nan 8.190 nan 0.000 0.442 513 H N 2.547 121.248 119.070 -0.616 0.000 2.906 513 H HA 0.665 5.220 4.556 -0.001 0.000 0.337 513 H C -1.087 173.945 175.328 -0.494 0.000 1.257 513 H CA -0.840 54.840 56.048 -0.612 0.000 1.192 513 H CB 2.072 31.305 29.762 -0.881 0.000 1.912 513 H HN 0.569 nan 8.280 nan 0.000 0.573 514 Q N 0.423 120.238 119.800 0.024 0.000 2.389 514 Q HA 0.382 4.721 4.340 -0.001 0.000 0.277 514 Q C -0.602 175.601 176.000 0.339 0.000 1.082 514 Q CA -0.942 54.971 55.803 0.182 0.000 0.810 514 Q CB 2.995 31.785 28.738 0.086 0.000 1.374 514 Q HN 0.501 nan 8.270 nan 0.000 0.422 515 R N 0.657 121.371 120.500 0.357 0.000 3.152 515 R HA -0.200 4.140 4.340 -0.001 0.000 0.252 515 R C -0.524 175.923 176.300 0.246 0.000 0.930 515 R CA -0.131 56.131 56.100 0.270 0.000 0.642 515 R CB -1.800 28.598 30.300 0.164 0.000 1.205 515 R HN 0.515 nan 8.270 nan 0.000 0.452 516 L N 2.687 124.024 121.223 0.190 0.000 2.700 516 L HA -0.035 4.304 4.340 -0.001 0.000 0.272 516 L C 0.802 177.638 176.870 -0.056 0.000 1.176 516 L CA 0.721 55.454 54.840 -0.178 0.000 0.961 516 L CB -0.124 41.553 42.059 -0.638 0.000 1.249 516 L HN 0.413 nan 8.230 nan 0.000 0.487 517 R N 2.440 122.919 120.500 -0.036 0.000 3.188 517 R HA -0.183 4.156 4.340 -0.001 0.000 0.247 517 R C 0.988 177.350 176.300 0.103 0.000 0.918 517 R CA 0.572 56.699 56.100 0.044 0.000 0.629 517 R CB -2.282 28.058 30.300 0.067 0.000 1.087 517 R HN 0.679 nan 8.270 nan 0.000 0.462 518 V N -0.931 119.044 119.914 0.101 0.000 2.270 518 V HA -0.317 3.803 4.120 -0.001 0.000 0.245 518 V C 2.447 178.616 176.094 0.125 0.000 1.043 518 V CA 2.075 64.446 62.300 0.118 0.000 1.014 518 V CB -0.488 31.395 31.823 0.100 0.000 0.645 518 V HN 0.363 nan 8.190 nan 0.000 0.447 519 Q N -0.073 119.784 119.800 0.094 0.000 1.998 519 Q HA -0.235 4.104 4.340 -0.001 0.000 0.209 519 Q C 2.220 178.292 176.000 0.121 0.000 1.002 519 Q CA 2.420 58.267 55.803 0.073 0.000 0.858 519 Q CB -0.425 28.327 28.738 0.024 0.000 0.932 519 Q HN 0.496 nan 8.270 nan 0.000 0.416 520 M N -0.980 118.714 119.600 0.157 0.000 2.117 520 M HA -0.175 4.305 4.480 -0.001 0.000 0.262 520 M C 2.448 179.040 176.300 0.487 0.000 1.065 520 M CA 1.186 56.667 55.300 0.302 0.000 1.114 520 M CB -1.340 31.483 32.600 0.372 0.000 1.361 520 M HN 0.365 nan 8.290 nan 0.000 0.408 521 c N -0.344 118.483 118.600 0.378 0.000 2.432 521 c HA -0.021 4.548 4.570 -0.001 0.000 0.282 521 c C 2.967 177.231 174.090 0.291 0.000 1.388 521 c CA 0.147 56.699 56.329 0.372 0.000 1.777 521 c CB -1.003 41.659 42.510 0.254 0.000 1.882 521 c HN 0.334 nan 8.230 nan 0.000 0.520 522 V N 0.665 120.720 119.914 0.234 0.000 2.427 522 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 522 V C 2.094 178.308 176.094 0.200 0.000 1.051 522 V CA 2.134 64.546 62.300 0.186 0.000 1.048 522 V CB -0.773 31.137 31.823 0.145 0.000 0.666 522 V HN 0.553 nan 8.190 nan 0.000 0.456 523 F N 0.139 120.141 119.950 0.087 0.000 2.069 523 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 523 F C 1.975 177.774 175.800 -0.002 0.000 1.113 523 F CA 1.752 59.755 58.000 0.004 0.000 1.214 523 F CB -0.546 38.341 39.000 -0.188 0.000 0.978 523 F HN 0.182 nan 8.300 nan 0.000 0.474 524 W N 0.602 121.864 121.300 -0.065 0.000 2.409 524 W HA -0.104 4.555 4.660 -0.001 0.000 0.299 524 W C 2.280 178.728 176.519 -0.120 0.000 1.203 524 W CA 1.001 58.253 57.345 -0.155 0.000 1.298 524 W CB -0.645 28.876 29.460 0.101 0.000 1.127 524 W HN -0.035 nan 8.180 nan 0.000 0.528 525 N N -0.672 118.131 118.700 0.172 0.000 2.376 525 N HA -0.082 4.657 4.740 -0.001 0.000 0.177 525 N C 1.579 177.090 175.510 0.001 0.000 1.024 525 N CA 1.112 54.188 53.050 0.043 0.000 0.893 525 N CB -0.342 38.196 38.487 0.085 0.000 0.980 525 N HN 0.166 nan 8.380 nan 0.000 0.439 526 Q N -0.976 118.846 119.800 0.037 0.000 2.619 526 Q HA 0.237 4.576 4.340 -0.001 0.000 0.230 526 Q C 1.569 177.583 176.000 0.023 0.000 0.871 526 Q CA -0.215 55.613 55.803 0.041 0.000 0.934 526 Q CB -0.404 28.392 28.738 0.098 0.000 1.183 526 Q HN 0.422 nan 8.270 nan 0.000 0.631 527 F N 1.401 121.285 119.950 -0.110 0.000 2.074 527 F HA 0.022 4.549 4.527 -0.001 0.000 0.293 527 F C 1.952 177.623 175.800 -0.215 0.000 1.116 527 F CA 1.253 59.181 58.000 -0.120 0.000 1.212 527 F CB -0.506 38.474 39.000 -0.034 0.000 0.998 527 F HN 0.205 nan 8.300 nan 0.000 0.471 528 L N 1.353 122.272 121.223 -0.506 0.000 1.978 528 L HA -0.153 4.186 4.340 -0.001 0.000 0.218 528 L C -0.804 175.841 176.870 -0.375 0.000 1.075 528 L CA 2.455 56.942 54.840 -0.588 0.000 0.767 528 L CB -2.045 39.517 42.059 -0.828 0.000 0.890 528 L HN 0.020 nan 8.230 nan 0.000 0.434 529 P HA -0.220 nan 4.420 nan 0.000 0.216 529 P C 1.533 178.725 177.300 -0.179 0.000 1.153 529 P CA 1.759 64.771 63.100 -0.147 0.000 0.858 529 P CB -0.067 31.571 31.700 -0.104 0.000 0.789 530 K N -0.624 119.635 120.400 -0.234 0.000 2.057 530 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 530 K C 1.938 178.365 176.600 -0.289 0.000 1.050 530 K CA 1.035 57.189 56.287 -0.221 0.000 0.935 530 K CB -0.740 31.638 32.500 -0.204 0.000 0.715 530 K HN -0.059 nan 8.250 nan 0.000 0.439 531 L N 1.634 122.562 121.223 -0.491 0.000 1.994 531 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 531 L C 1.851 178.582 176.870 -0.230 0.000 1.071 531 L CA 1.685 56.254 54.840 -0.452 0.000 0.745 531 L CB -0.627 41.022 42.059 -0.682 0.000 0.892 531 L HN 0.235 nan 8.230 nan 0.000 0.431 532 L N -0.043 121.064 121.223 -0.193 0.000 2.265 532 L HA -0.184 4.155 4.340 -0.001 0.000 0.215 532 L C 2.586 179.414 176.870 -0.070 0.000 1.117 532 L CA 1.249 56.030 54.840 -0.098 0.000 0.782 532 L CB -1.449 40.583 42.059 -0.046 0.000 0.914 532 L HN 0.639 nan 8.230 nan 0.000 0.441 533 N N 0.078 118.725 118.700 -0.088 0.000 2.305 533 N HA 0.051 4.790 4.740 -0.001 0.000 0.179 533 N C 2.077 177.553 175.510 -0.057 0.000 1.019 533 N CA 1.050 54.063 53.050 -0.061 0.000 0.869 533 N CB -0.339 38.111 38.487 -0.062 0.000 1.000 533 N HN 0.337 nan 8.380 nan 0.000 0.431 534 A N 0.839 123.612 122.820 -0.078 0.000 1.841 534 A HA 0.015 4.334 4.320 -0.001 0.000 0.216 534 A C 1.864 179.421 177.584 -0.044 0.000 1.199 534 A CA 2.042 54.043 52.037 -0.060 0.000 0.621 534 A CB -1.557 17.398 19.000 -0.076 0.000 0.835 534 A HN 0.833 nan 8.150 nan 0.000 0.445 535 T N -2.781 111.742 114.554 -0.052 0.000 2.840 535 T HA 0.540 4.889 4.350 -0.001 0.000 0.276 535 T C 0.204 174.889 174.700 -0.025 0.000 0.912 535 T CA 0.397 62.477 62.100 -0.033 0.000 1.116 535 T CB 0.729 69.577 68.868 -0.034 0.000 0.895 535 T HN 1.597 nan 8.240 nan 0.000 0.570 536 A N 2.088 124.899 122.820 -0.016 0.000 2.415 536 A HA 0.133 4.453 4.320 -0.001 0.000 0.219 536 A C 1.243 178.823 177.584 -0.007 0.000 2.882 536 A CA -0.143 51.889 52.037 -0.009 0.000 1.551 536 A CB -1.578 17.417 19.000 -0.008 0.000 0.227 536 A HN 1.509 nan 8.150 nan 0.000 0.538 537 C N 0.000 119.294 119.300 -0.010 0.000 2.653 537 C HA 0.000 4.459 4.460 -0.001 0.000 0.325 537 C CA 0.000 59.014 59.018 -0.007 0.000 1.963 537 C CB 0.000 27.735 27.740 -0.008 0.000 2.134 537 C HN 0.000 nan 8.230 nan 0.000 0.568