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 2vja_1_B DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.644 174.600 0.073 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.228 63.200 0.047 0.000 0.593 5 E N 3.583 123.833 120.200 0.084 0.000 2.153 5 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 5 E C 1.144 177.870 176.600 0.211 0.000 0.988 5 E CA 1.357 57.834 56.400 0.129 0.000 0.811 5 E CB -0.008 29.759 29.700 0.112 0.000 0.746 5 E HN 0.804 nan 8.360 nan 0.000 0.466 6 L N 0.620 121.935 121.223 0.154 0.000 2.558 6 L HA 0.107 4.446 4.340 -0.000 0.000 0.225 6 L C 0.382 177.412 176.870 0.268 0.000 1.128 6 L CA -0.320 54.615 54.840 0.158 0.000 0.868 6 L CB 0.283 42.343 42.059 0.003 0.000 1.006 6 L HN 0.157 nan 8.230 nan 0.000 0.454 7 L N 0.947 122.293 121.223 0.205 0.000 2.276 7 L HA 0.508 4.847 4.340 -0.000 0.000 0.286 7 L C -0.640 176.299 176.870 0.115 0.000 1.024 7 L CA -0.269 54.679 54.840 0.180 0.000 0.826 7 L CB 1.334 43.456 42.059 0.105 0.000 1.211 7 L HN -0.318 nan 8.230 nan 0.000 0.422 8 V N 4.382 124.360 119.914 0.107 0.000 2.656 8 V HA 0.532 4.652 4.120 -0.000 0.000 0.307 8 V C -0.806 175.226 176.094 -0.102 0.000 1.051 8 V CA -0.826 61.395 62.300 -0.133 0.000 0.893 8 V CB 2.225 33.717 31.823 -0.551 0.000 0.999 8 V HN 0.879 nan 8.190 nan 0.000 0.426 9 N N 1.416 119.979 118.700 -0.228 0.000 2.424 9 N HA 0.594 5.334 4.740 -0.000 0.000 0.271 9 N C -0.257 174.982 175.510 -0.451 0.000 0.985 9 N CA -0.568 52.340 53.050 -0.236 0.000 0.921 9 N CB 1.691 40.034 38.487 -0.240 0.000 1.149 9 N HN 0.743 nan 8.380 nan 0.000 0.492 10 T N -1.097 113.303 114.554 -0.257 0.000 2.910 10 T HA 0.366 4.716 4.350 -0.000 0.000 0.279 10 T C 0.909 175.426 174.700 -0.304 0.000 0.989 10 T CA -0.628 61.322 62.100 -0.250 0.000 0.968 10 T CB 1.033 69.995 68.868 0.157 0.000 1.135 10 T HN 0.255 nan 8.240 nan 0.000 0.562 11 K N 0.169 120.453 120.400 -0.194 0.000 2.360 11 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 11 K C 2.066 178.551 176.600 -0.192 0.000 1.046 11 K CA 0.973 57.166 56.287 -0.157 0.000 0.945 11 K CB -0.247 32.214 32.500 -0.064 0.000 0.750 11 K HN 0.520 nan 8.250 nan 0.000 0.464 12 S N -0.951 114.605 115.700 -0.240 0.000 2.524 12 S HA 0.350 4.820 4.470 -0.000 0.000 0.215 12 S C 0.327 174.219 174.600 -1.179 0.000 0.986 12 S CA 0.214 58.141 58.200 -0.456 0.000 0.911 12 S CB 0.994 64.096 63.200 -0.164 0.000 0.805 12 S HN 0.476 nan 8.310 nan 0.000 0.501 13 G N 1.176 109.401 108.800 -0.960 0.000 2.369 13 G HA2 0.121 4.081 3.960 -0.000 0.000 0.307 13 G HA3 0.121 4.081 3.960 -0.000 0.000 0.307 13 G C -1.766 172.961 174.900 -0.288 0.000 1.327 13 G CA -1.156 43.324 45.100 -1.033 0.000 0.963 13 G HN 0.103 nan 8.290 nan 0.000 0.590 14 K N -0.857 119.592 120.400 0.082 0.000 2.154 14 K HA 0.678 4.997 4.320 -0.000 0.000 0.264 14 K C -0.478 176.508 176.600 0.643 0.000 1.008 14 K CA -0.566 55.898 56.287 0.296 0.000 0.937 14 K CB 1.879 34.506 32.500 0.211 0.000 1.002 14 K HN 0.371 nan 8.250 nan 0.000 0.469 15 V N 2.304 122.516 119.914 0.497 0.000 2.888 15 V HA 0.311 4.431 4.120 -0.000 0.000 0.309 15 V C -1.271 175.103 176.094 0.466 0.000 1.114 15 V CA -0.918 61.723 62.300 0.568 0.000 0.940 15 V CB 1.954 34.160 31.823 0.639 0.000 1.021 15 V HN 0.711 nan 8.190 nan 0.000 0.426 16 M N 3.710 123.549 119.600 0.399 0.000 2.085 16 M HA 0.754 5.234 4.480 -0.000 0.000 0.309 16 M C 0.152 176.534 176.300 0.137 0.000 0.947 16 M CA -0.007 55.446 55.300 0.256 0.000 0.918 16 M CB 1.023 33.714 32.600 0.153 0.000 1.504 16 M HN 0.757 nan 8.290 nan 0.000 0.420 17 G N 1.611 110.372 108.800 -0.065 0.000 2.508 17 G HA2 0.596 4.556 3.960 -0.000 0.000 0.278 17 G HA3 0.596 4.556 3.960 -0.000 0.000 0.278 17 G C -0.942 173.751 174.900 -0.346 0.000 1.389 17 G CA -0.273 44.490 45.100 -0.561 0.000 1.050 17 G HN 0.680 nan 8.290 nan 0.000 0.522 18 T N -1.778 112.539 114.554 -0.395 0.000 2.900 18 T HA 0.527 4.877 4.350 -0.000 0.000 0.303 18 T C -0.713 173.878 174.700 -0.181 0.000 1.142 18 T CA -0.717 61.252 62.100 -0.219 0.000 1.007 18 T CB 1.703 70.469 68.868 -0.171 0.000 1.156 18 T HN 0.565 nan 8.240 nan 0.000 0.490 19 R N 2.515 122.958 120.500 -0.094 0.000 2.234 19 R HA 0.596 4.936 4.340 -0.000 0.000 0.324 19 R C -0.511 175.799 176.300 0.017 0.000 1.054 19 R CA -0.384 55.700 56.100 -0.027 0.000 0.912 19 R CB 0.272 30.557 30.300 -0.025 0.000 1.030 19 R HN 0.543 nan 8.270 nan 0.000 0.455 20 V N 3.257 123.202 119.914 0.052 0.000 2.555 20 V HA 0.730 4.850 4.120 -0.000 0.000 0.302 20 V C -2.374 173.746 176.094 0.043 0.000 1.038 20 V CA -2.627 59.699 62.300 0.042 0.000 0.887 20 V CB 1.588 33.426 31.823 0.026 0.000 0.991 20 V HN 0.785 nan 8.190 nan 0.000 0.434 21 P HA 0.406 nan 4.420 nan 0.000 0.274 21 P C -0.838 176.287 177.300 -0.292 0.000 1.231 21 P CA -0.154 62.777 63.100 -0.281 0.000 0.790 21 P CB 2.043 33.614 31.700 -0.214 0.000 0.951 22 V N 4.941 124.604 119.914 -0.419 0.000 2.781 22 V HA 0.117 4.237 4.120 -0.000 0.000 0.289 22 V C -0.201 175.606 176.094 -0.479 0.000 1.275 22 V CA -0.738 61.316 62.300 -0.410 0.000 0.936 22 V CB 0.538 32.070 31.823 -0.485 0.000 1.074 22 V HN 0.509 nan 8.190 nan 0.000 0.444 23 L N 6.087 127.166 121.223 -0.239 0.000 3.879 23 L HA -0.242 4.098 4.340 -0.000 0.000 0.481 23 L C 1.143 177.891 176.870 -0.203 0.000 1.232 23 L CA 1.002 55.736 54.840 -0.177 0.000 0.736 23 L CB -1.909 40.069 42.059 -0.135 0.000 1.511 23 L HN 1.117 nan 8.230 nan 0.000 0.830 24 S N -2.867 112.720 115.700 -0.188 0.000 2.929 24 S HA -0.246 4.224 4.470 -0.000 0.000 0.271 24 S C 0.585 175.083 174.600 -0.169 0.000 1.295 24 S CA 1.603 59.720 58.200 -0.139 0.000 1.277 24 S CB -0.559 62.611 63.200 -0.050 0.000 1.557 24 S HN 0.857 nan 8.310 nan 0.000 0.666 25 S N -0.730 114.781 115.700 -0.316 0.000 2.998 25 S HA 0.852 5.322 4.470 -0.000 0.000 0.307 25 S C -1.021 173.269 174.600 -0.516 0.000 1.063 25 S CA -0.503 57.570 58.200 -0.211 0.000 0.895 25 S CB 1.016 64.191 63.200 -0.041 0.000 1.362 25 S HN 0.475 nan 8.310 nan 0.000 0.657 26 H N -0.640 118.407 119.070 -0.038 0.000 3.008 26 H HA 0.729 5.285 4.556 -0.000 0.000 0.354 26 H C -0.737 174.639 175.328 0.080 0.000 1.252 26 H CA -0.392 55.648 56.048 -0.013 0.000 1.117 26 H CB 1.318 31.087 29.762 0.010 0.000 1.857 26 H HN 0.719 nan 8.280 nan 0.000 0.547 27 I N -2.314 118.383 120.570 0.212 0.000 3.093 27 I HA 0.648 4.818 4.170 -0.000 0.000 0.308 27 I C -1.020 175.204 176.117 0.178 0.000 1.303 27 I CA -1.041 60.398 61.300 0.232 0.000 0.975 27 I CB 2.522 40.690 38.000 0.280 0.000 1.286 27 I HN 0.378 nan 8.210 nan 0.000 0.459 28 S N 1.674 117.489 115.700 0.191 0.000 2.562 28 S HA 0.808 5.278 4.470 -0.000 0.000 0.275 28 S C -0.195 174.423 174.600 0.029 0.000 1.281 28 S CA -0.462 57.788 58.200 0.083 0.000 1.045 28 S CB 1.435 64.764 63.200 0.215 0.000 0.962 28 S HN 0.860 nan 8.310 nan 0.000 0.503 29 A N 2.233 124.886 122.820 -0.279 0.000 2.398 29 A HA 0.768 5.087 4.320 -0.000 0.000 0.301 29 A C -1.400 175.818 177.584 -0.611 0.000 1.041 29 A CA -0.636 51.160 52.037 -0.403 0.000 0.711 29 A CB 0.557 19.327 19.000 -0.384 0.000 1.240 29 A HN 0.644 nan 8.150 nan 0.000 0.420 30 F N 2.745 122.539 119.950 -0.260 0.000 2.434 30 F HA 0.481 5.008 4.527 -0.000 0.000 0.367 30 F C -0.197 175.462 175.800 -0.235 0.000 1.093 30 F CA -0.376 57.553 58.000 -0.118 0.000 1.085 30 F CB 1.278 40.296 39.000 0.031 0.000 1.322 30 F HN 0.359 nan 8.300 nan 0.000 0.452 31 L N 2.172 123.333 121.223 -0.103 0.000 2.322 31 L HA 0.700 5.040 4.340 -0.000 0.000 0.279 31 L C 0.955 177.849 176.870 0.040 0.000 1.036 31 L CA -0.960 53.827 54.840 -0.088 0.000 0.807 31 L CB 1.573 43.509 42.059 -0.204 0.000 1.226 31 L HN 0.819 nan 8.230 nan 0.000 0.433 32 G N 3.184 112.031 108.800 0.078 0.000 2.272 32 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.280 32 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.280 32 G C -0.166 174.792 174.900 0.097 0.000 1.067 32 G CA -0.311 44.832 45.100 0.073 0.000 0.902 32 G HN 0.472 nan 8.290 nan 0.000 0.500 33 I N 2.095 122.641 120.570 -0.040 0.000 2.371 33 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 33 I C -1.402 174.488 176.117 -0.378 0.000 1.028 33 I CA -2.233 58.862 61.300 -0.342 0.000 1.345 33 I CB 1.332 39.125 38.000 -0.346 0.000 1.407 33 I HN 0.005 nan 8.210 nan 0.000 0.501 34 P HA 0.097 nan 4.420 nan 0.000 0.280 34 P C -0.391 176.559 177.300 -0.583 0.000 1.244 34 P CA -0.081 62.509 63.100 -0.851 0.000 0.784 34 P CB 0.810 31.932 31.700 -0.964 0.000 0.913 35 F N 0.525 120.173 119.950 -0.504 0.000 2.767 35 F HA 0.730 5.257 4.527 -0.000 0.000 0.323 35 F C -0.010 175.719 175.800 -0.119 0.000 1.091 35 F CA -0.887 56.915 58.000 -0.330 0.000 1.192 35 F CB -0.007 38.754 39.000 -0.400 0.000 1.056 35 F HN 0.361 nan 8.300 nan 0.000 0.571 36 A N 0.035 122.566 122.820 -0.481 0.000 2.593 36 A HA 0.647 4.966 4.320 -0.000 0.000 0.290 36 A C -0.925 176.492 177.584 -0.278 0.000 1.126 36 A CA -0.762 51.131 52.037 -0.239 0.000 0.695 36 A CB 1.092 19.949 19.000 -0.237 0.000 1.290 36 A HN 0.057 nan 8.150 nan 0.000 0.414 37 E N 0.787 120.910 120.200 -0.127 0.000 2.354 37 E HA 0.319 4.669 4.350 -0.000 0.000 0.269 37 E C -2.395 174.125 176.600 -0.134 0.000 1.036 37 E CA -1.586 54.758 56.400 -0.095 0.000 0.876 37 E CB 0.327 30.014 29.700 -0.022 0.000 1.009 37 E HN 0.217 nan 8.360 nan 0.000 0.416 38 P HA -0.001 nan 4.420 nan 0.000 0.257 38 P C -2.180 175.076 177.300 -0.074 0.000 1.189 38 P CA -0.636 62.405 63.100 -0.098 0.000 0.780 38 P CB -0.077 31.600 31.700 -0.038 0.000 0.772 39 P HA -0.017 nan 4.420 nan 0.000 0.232 39 P C -0.131 177.126 177.300 -0.072 0.000 1.738 39 P CA 0.188 63.249 63.100 -0.064 0.000 0.948 39 P CB -0.154 31.512 31.700 -0.056 0.000 1.943 40 V N -2.673 117.203 119.914 -0.063 0.000 3.096 40 V HA 0.859 4.979 4.120 -0.000 0.000 0.319 40 V C 1.145 177.201 176.094 -0.065 0.000 1.082 40 V CA 0.160 62.420 62.300 -0.067 0.000 1.022 40 V CB 0.615 32.408 31.823 -0.050 0.000 1.103 40 V HN 0.521 nan 8.190 nan 0.000 0.455 41 G N 3.000 111.758 108.800 -0.070 0.000 2.634 41 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.318 41 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.318 41 G C 0.573 175.427 174.900 -0.076 0.000 1.207 41 G CA 1.467 46.529 45.100 -0.064 0.000 0.987 41 G HN 1.965 nan 8.290 nan 0.000 0.547 42 N N 0.577 119.251 118.700 -0.044 0.000 2.550 42 N HA 0.126 4.866 4.740 -0.000 0.000 0.186 42 N C 1.890 177.385 175.510 -0.026 0.000 1.110 42 N CA 1.869 54.903 53.050 -0.026 0.000 0.912 42 N CB -0.036 38.451 38.487 0.001 0.000 0.968 42 N HN 0.486 nan 8.380 nan 0.000 0.448 43 M N -0.188 119.385 119.600 -0.045 0.000 2.514 43 M HA 0.085 4.565 4.480 -0.000 0.000 0.258 43 M C 0.777 177.032 176.300 -0.075 0.000 1.119 43 M CA 0.040 55.317 55.300 -0.039 0.000 1.111 43 M CB -0.403 32.175 32.600 -0.036 0.000 1.390 43 M HN 0.236 nan 8.290 nan 0.000 0.475 44 R N 0.772 121.172 120.500 -0.168 0.000 2.538 44 R HA -0.068 4.272 4.340 -0.000 0.000 0.282 44 R C -0.278 175.823 176.300 -0.333 0.000 1.009 44 R CA 0.585 56.457 56.100 -0.380 0.000 1.063 44 R CB 0.151 30.055 30.300 -0.661 0.000 0.945 44 R HN 0.200 nan 8.270 nan 0.000 0.414 45 F N -0.887 119.053 119.950 -0.017 0.000 2.619 45 F HA -0.298 4.229 4.527 -0.000 0.000 0.425 45 F C 0.683 176.459 175.800 -0.040 0.000 0.575 45 F CA 1.263 59.228 58.000 -0.057 0.000 1.289 45 F CB -1.555 37.397 39.000 -0.080 0.000 1.859 45 F HN 0.644 nan 8.300 nan 0.000 0.280 46 R N 1.506 122.073 120.500 0.112 0.000 2.528 46 R HA 0.495 4.835 4.340 -0.000 0.000 0.271 46 R C 0.553 176.882 176.300 0.047 0.000 1.056 46 R CA -0.648 55.495 56.100 0.072 0.000 1.117 46 R CB 0.722 31.051 30.300 0.048 0.000 1.085 46 R HN 0.077 nan 8.270 nan 0.000 0.530 47 R N 2.756 123.285 120.500 0.047 0.000 2.698 47 R HA 0.057 4.397 4.340 -0.000 0.000 0.266 47 R C -1.885 174.442 176.300 0.046 0.000 1.026 47 R CA -0.927 55.201 56.100 0.046 0.000 1.102 47 R CB -0.004 30.328 30.300 0.054 0.000 0.978 47 R HN 0.523 nan 8.270 nan 0.000 0.436 48 P HA 0.072 nan 4.420 nan 0.000 0.272 48 P C -0.864 176.475 177.300 0.065 0.000 1.230 48 P CA -0.045 63.092 63.100 0.061 0.000 0.788 48 P CB 0.876 32.639 31.700 0.106 0.000 0.949 49 E N 1.725 121.956 120.200 0.051 0.000 2.238 49 E HA 0.475 4.825 4.350 -0.000 0.000 0.267 49 E C -2.534 174.108 176.600 0.069 0.000 0.887 49 E CA -2.865 53.568 56.400 0.056 0.000 0.769 49 E CB 0.931 30.654 29.700 0.038 0.000 1.187 49 E HN 0.241 nan 8.360 nan 0.000 0.416 50 P HA -0.018 nan 4.420 nan 0.000 0.264 50 P C -1.124 176.240 177.300 0.105 0.000 1.183 50 P CA -0.139 63.037 63.100 0.127 0.000 0.763 50 P CB 0.378 32.153 31.700 0.126 0.000 0.807 51 K N 4.332 124.805 120.400 0.121 0.000 2.447 51 K HA 0.008 4.328 4.320 -0.000 0.000 0.281 51 K C 0.121 176.824 176.600 0.171 0.000 1.031 51 K CA 0.197 56.551 56.287 0.113 0.000 1.019 51 K CB -0.058 32.510 32.500 0.113 0.000 0.918 51 K HN 0.337 nan 8.250 nan 0.000 0.476 52 K N 4.657 125.151 120.400 0.157 0.000 2.237 52 K HA 0.308 4.628 4.320 -0.000 0.000 0.270 52 K C -2.256 174.461 176.600 0.195 0.000 1.015 52 K CA -1.907 54.465 56.287 0.142 0.000 0.949 52 K CB 0.115 32.682 32.500 0.112 0.000 0.976 52 K HN 0.337 nan 8.250 nan 0.000 0.472 53 P HA -0.112 nan 4.420 nan 0.000 0.264 53 P C -1.233 176.143 177.300 0.126 0.000 1.179 53 P CA 0.236 63.312 63.100 -0.041 0.000 0.763 53 P CB 0.110 31.752 31.700 -0.098 0.000 0.806 54 W N 1.126 122.505 121.300 0.133 0.000 2.820 54 W HA 0.746 5.406 4.660 -0.000 0.000 0.350 54 W C -0.997 175.601 176.519 0.131 0.000 1.116 54 W CA -0.778 56.663 57.345 0.161 0.000 1.146 54 W CB 0.265 29.893 29.460 0.281 0.000 1.433 54 W HN 0.113 nan 8.180 nan 0.000 0.561 55 S N 0.740 116.666 115.700 0.377 0.000 2.690 55 S HA 0.795 5.265 4.470 -0.000 0.000 0.291 55 S C 0.367 175.175 174.600 0.346 0.000 1.138 55 S CA 0.314 58.653 58.200 0.231 0.000 1.013 55 S CB 0.961 64.247 63.200 0.144 0.000 1.053 55 S HN 1.512 nan 8.310 nan 0.000 0.539 56 G N 0.104 109.039 108.800 0.225 0.000 2.698 56 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.233 56 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.233 56 G C -0.825 174.274 174.900 0.331 0.000 1.352 56 G CA -0.481 44.750 45.100 0.217 0.000 0.879 56 G HN 0.948 nan 8.290 nan 0.000 0.567 57 V N 1.072 121.136 119.914 0.250 0.000 2.383 57 V HA 0.424 4.544 4.120 -0.000 0.000 0.275 57 V C 0.485 176.741 176.094 0.269 0.000 1.036 57 V CA -0.439 62.038 62.300 0.295 0.000 0.889 57 V CB 1.575 33.506 31.823 0.180 0.000 0.985 57 V HN 0.667 nan 8.190 nan 0.000 0.459 58 W N 5.805 127.227 121.300 0.203 0.000 2.304 58 W HA 0.200 4.860 4.660 -0.000 0.000 0.313 58 W C 0.279 176.804 176.519 0.011 0.000 1.323 58 W CA -0.514 56.802 57.345 -0.050 0.000 1.223 58 W CB 0.738 30.012 29.460 -0.309 0.000 1.237 58 W HN 0.599 nan 8.180 nan 0.000 0.535 59 N N 4.711 123.313 118.700 -0.163 0.000 2.399 59 N HA 0.177 4.917 4.740 -0.000 0.000 0.259 59 N C -0.564 175.045 175.510 0.165 0.000 1.160 59 N CA 0.253 53.291 53.050 -0.021 0.000 0.946 59 N CB 0.873 39.266 38.487 -0.157 0.000 1.156 59 N HN 0.391 nan 8.380 nan 0.000 0.489 60 A N 2.864 125.836 122.820 0.252 0.000 3.257 60 A HA 0.219 4.539 4.320 -0.000 0.000 0.308 60 A C 0.902 178.500 177.584 0.024 0.000 1.175 60 A CA -0.480 51.696 52.037 0.230 0.000 1.018 60 A CB -0.411 18.782 19.000 0.322 0.000 1.088 60 A HN 0.623 nan 8.150 nan 0.000 0.567 61 S N -1.074 114.607 115.700 -0.031 0.000 2.559 61 S HA 0.190 4.660 4.470 -0.000 0.000 0.226 61 S C 0.703 175.218 174.600 -0.140 0.000 1.000 61 S CA 0.541 58.674 58.200 -0.112 0.000 0.948 61 S CB -0.212 62.929 63.200 -0.098 0.000 0.870 61 S HN 0.863 nan 8.310 nan 0.000 0.497 62 T N -0.804 113.689 114.554 -0.102 0.000 2.907 62 T HA 0.658 5.008 4.350 -0.000 0.000 0.292 62 T C -0.842 173.833 174.700 -0.042 0.000 1.043 62 T CA -0.715 61.318 62.100 -0.112 0.000 1.003 62 T CB 0.801 69.626 68.868 -0.071 0.000 1.084 62 T HN 0.059 nan 8.240 nan 0.000 0.483 63 Y N 2.786 123.058 120.300 -0.048 0.000 2.550 63 Y HA 0.345 4.894 4.550 -0.000 0.000 0.343 63 Y C -1.407 174.432 175.900 -0.102 0.000 1.245 63 Y CA -1.453 56.620 58.100 -0.046 0.000 1.462 63 Y CB 0.136 38.589 38.460 -0.012 0.000 1.340 63 Y HN 0.557 nan 8.280 nan 0.000 0.604 64 P HA 0.133 nan 4.420 nan 0.000 0.284 64 P C -0.712 176.500 177.300 -0.146 0.000 1.292 64 P CA -0.563 62.407 63.100 -0.215 0.000 0.800 64 P CB 1.006 32.464 31.700 -0.405 0.000 1.188 65 N N 0.201 118.781 118.700 -0.199 0.000 2.399 65 N HA 0.114 4.854 4.740 -0.000 0.000 0.250 65 N C 0.019 175.485 175.510 -0.074 0.000 1.272 65 N CA 0.189 53.172 53.050 -0.112 0.000 0.928 65 N CB -0.164 38.265 38.487 -0.097 0.000 1.158 65 N HN 0.420 nan 8.380 nan 0.000 0.463 66 N N -0.861 117.792 118.700 -0.078 0.000 2.466 66 N HA 0.322 5.062 4.740 -0.000 0.000 0.294 66 N C -0.485 174.976 175.510 -0.082 0.000 1.129 66 N CA -0.695 52.304 53.050 -0.084 0.000 0.931 66 N CB 1.093 39.507 38.487 -0.123 0.000 1.193 66 N HN 0.400 nan 8.380 nan 0.000 0.500 67 c N 1.201 119.753 118.600 -0.080 0.000 2.689 67 c HA 0.045 4.614 4.570 -0.000 0.000 0.409 67 c C 0.625 174.624 174.090 -0.152 0.000 1.293 67 c CA -0.582 55.682 56.329 -0.108 0.000 2.136 67 c CB -0.116 42.352 42.510 -0.069 0.000 2.719 67 c HN 0.532 nan 8.230 nan 0.000 0.644 68 Q N 2.595 122.230 119.800 -0.275 0.000 2.274 68 Q HA 0.201 4.541 4.340 -0.000 0.000 0.280 68 Q C -0.029 175.904 176.000 -0.112 0.000 1.047 68 Q CA 0.986 56.608 55.803 -0.302 0.000 0.907 68 Q CB 0.364 28.670 28.738 -0.719 0.000 1.171 68 Q HN 0.883 nan 8.270 nan 0.000 0.381 69 Q N 1.332 121.152 119.800 0.033 0.000 2.630 69 Q HA 0.319 4.659 4.340 -0.000 0.000 0.295 69 Q C -1.266 174.899 176.000 0.275 0.000 0.944 69 Q CA -1.034 54.884 55.803 0.191 0.000 0.766 69 Q CB 0.775 29.585 28.738 0.121 0.000 1.471 69 Q HN 0.470 nan 8.270 nan 0.000 0.416 70 Y N 0.977 121.468 120.300 0.319 0.000 2.597 70 Y HA 0.376 4.926 4.550 -0.000 0.000 0.336 70 Y C -1.053 175.026 175.900 0.297 0.000 1.216 70 Y CA 0.246 58.574 58.100 0.379 0.000 1.463 70 Y CB 0.917 39.750 38.460 0.622 0.000 1.303 70 Y HN 0.433 nan 8.280 nan 0.000 0.576 71 V N 6.340 125.967 119.914 -0.478 0.000 2.448 71 V HA 0.145 4.265 4.120 -0.000 0.000 0.295 71 V C -0.746 175.000 176.094 -0.579 0.000 1.025 71 V CA -1.041 61.059 62.300 -0.335 0.000 0.859 71 V CB 1.553 33.278 31.823 -0.162 0.000 0.988 71 V HN 0.792 nan 8.190 nan 0.000 0.431 72 D N 3.517 123.825 120.400 -0.154 0.000 2.339 72 D HA 0.166 4.806 4.640 -0.000 0.000 0.256 72 D C 0.387 176.721 176.300 0.057 0.000 1.214 72 D CA 0.206 54.239 54.000 0.055 0.000 0.877 72 D CB 0.929 41.931 40.800 0.336 0.000 1.111 72 D HN 0.664 nan 8.370 nan 0.000 0.478 73 E N 2.508 122.714 120.200 0.010 0.000 2.789 73 E HA 0.033 4.383 4.350 -0.000 0.000 0.208 73 E C 0.936 177.504 176.600 -0.054 0.000 0.988 73 E CA -0.271 56.129 56.400 -0.000 0.000 1.092 73 E CB 0.670 30.350 29.700 -0.032 0.000 1.066 73 E HN 0.449 nan 8.360 nan 0.000 0.465 74 Q N -0.534 119.192 119.800 -0.123 0.000 2.119 74 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 74 Q C -0.065 175.514 176.000 -0.701 0.000 0.972 74 Q CA 1.079 56.565 55.803 -0.530 0.000 0.847 74 Q CB 0.259 28.435 28.738 -0.937 0.000 0.903 74 Q HN 0.230 nan 8.270 nan 0.000 0.433 75 F N 0.522 120.514 119.950 0.070 0.000 2.564 75 F HA 0.368 4.895 4.527 -0.000 0.000 0.361 75 F C -2.161 173.698 175.800 0.098 0.000 1.161 75 F CA -3.043 54.980 58.000 0.039 0.000 1.198 75 F CB 1.042 40.045 39.000 0.005 0.000 1.424 75 F HN -0.196 nan 8.300 nan 0.000 0.517 76 P HA 0.195 nan 4.420 nan 0.000 0.264 76 P C 1.010 178.388 177.300 0.131 0.000 1.193 76 P CA 1.102 64.273 63.100 0.118 0.000 0.763 76 P CB 0.871 32.608 31.700 0.061 0.000 0.810 77 G N 2.828 111.690 108.800 0.103 0.000 2.304 77 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 77 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 77 G C 0.103 175.061 174.900 0.097 0.000 1.014 77 G CA -0.363 44.781 45.100 0.073 0.000 0.619 77 G HN 0.536 nan 8.290 nan 0.000 0.525 78 F N 3.525 123.462 119.950 -0.021 0.000 2.502 78 F HA 0.481 5.008 4.527 -0.000 0.000 0.371 78 F C 1.746 177.479 175.800 -0.111 0.000 1.083 78 F CA 0.045 57.982 58.000 -0.105 0.000 1.174 78 F CB 0.979 39.897 39.000 -0.137 0.000 1.096 78 F HN 0.264 nan 8.300 nan 0.000 0.545 79 S N 3.356 118.664 115.700 -0.654 0.000 2.399 79 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 79 S C 2.246 176.414 174.600 -0.720 0.000 1.022 79 S CA 0.871 58.727 58.200 -0.574 0.000 0.983 79 S CB -1.185 61.736 63.200 -0.464 0.000 0.803 79 S HN 0.803 nan 8.310 nan 0.000 0.480 80 G N 1.629 109.513 108.800 -1.526 0.000 2.450 80 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 80 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 80 G C 1.697 176.706 174.900 0.181 0.000 1.130 80 G CA 1.346 45.856 45.100 -0.983 0.000 0.760 80 G HN 0.800 nan 8.290 nan 0.000 0.557 81 S N -0.211 115.620 115.700 0.218 0.000 2.502 81 S HA 0.118 4.588 4.470 -0.000 0.000 0.228 81 S C 1.801 176.663 174.600 0.437 0.000 1.061 81 S CA 0.627 59.281 58.200 0.757 0.000 0.935 81 S CB -0.097 63.671 63.200 0.947 0.000 0.809 81 S HN 0.457 nan 8.310 nan 0.000 0.510 82 E N 2.302 122.602 120.200 0.166 0.000 2.338 82 E HA -0.061 4.289 4.350 -0.000 0.000 0.197 82 E C 1.992 178.539 176.600 -0.088 0.000 1.007 82 E CA 1.180 57.613 56.400 0.056 0.000 0.849 82 E CB -0.528 29.175 29.700 0.005 0.000 0.774 82 E HN 0.820 nan 8.360 nan 0.000 0.506 83 M N -1.705 117.743 119.600 -0.253 0.000 2.632 83 M HA -0.060 4.420 4.480 -0.000 0.000 0.256 83 M C 0.814 176.718 176.300 -0.659 0.000 1.080 83 M CA 1.360 56.345 55.300 -0.526 0.000 1.084 83 M CB -0.365 31.790 32.600 -0.742 0.000 1.439 83 M HN 0.051 nan 8.290 nan 0.000 0.509 84 W N 0.679 121.925 121.300 -0.091 0.000 3.103 84 W HA 0.323 4.983 4.660 -0.000 0.000 0.325 84 W C 0.243 176.688 176.519 -0.124 0.000 1.170 84 W CA -0.925 56.338 57.345 -0.136 0.000 1.712 84 W CB 0.035 29.455 29.460 -0.066 0.000 1.068 84 W HN 0.084 nan 8.180 nan 0.000 0.592 85 N N 1.499 120.241 118.700 0.069 0.000 2.493 85 N HA 0.205 4.945 4.740 -0.000 0.000 0.275 85 N C -2.501 172.969 175.510 -0.066 0.000 1.186 85 N CA -1.560 51.501 53.050 0.018 0.000 0.978 85 N CB -0.060 38.441 38.487 0.024 0.000 1.184 85 N HN -0.377 nan 8.380 nan 0.000 0.487 86 P HA 0.042 nan 4.420 nan 0.000 0.262 86 P C 0.212 177.452 177.300 -0.100 0.000 1.182 86 P CA 0.065 63.101 63.100 -0.106 0.000 0.761 86 P CB 0.287 31.933 31.700 -0.089 0.000 0.795 87 N N 2.337 120.966 118.700 -0.119 0.000 2.214 87 N HA 0.088 4.828 4.740 -0.000 0.000 0.214 87 N C 0.167 175.634 175.510 -0.072 0.000 1.132 87 N CA 0.029 53.020 53.050 -0.098 0.000 0.856 87 N CB 0.387 38.803 38.487 -0.118 0.000 1.020 87 N HN 0.178 nan 8.380 nan 0.000 0.509 88 R N 0.278 120.732 120.500 -0.077 0.000 2.855 88 R HA 0.272 4.612 4.340 -0.000 0.000 0.266 88 R C -0.640 175.622 176.300 -0.064 0.000 1.034 88 R CA -0.667 55.397 56.100 -0.060 0.000 0.944 88 R CB 1.419 31.682 30.300 -0.063 0.000 1.219 88 R HN 0.290 nan 8.270 nan 0.000 0.474 89 E N 1.619 121.784 120.200 -0.058 0.000 2.413 89 E HA 0.037 4.387 4.350 -0.000 0.000 0.263 89 E C -0.456 176.103 176.600 -0.069 0.000 1.015 89 E CA 0.144 56.509 56.400 -0.058 0.000 0.916 89 E CB 0.644 30.311 29.700 -0.054 0.000 0.947 89 E HN 0.263 nan 8.360 nan 0.000 0.440 90 M N 2.679 122.238 119.600 -0.069 0.000 2.274 90 M HA 0.240 4.720 4.480 -0.000 0.000 0.344 90 M C -0.183 176.062 176.300 -0.091 0.000 1.161 90 M CA -0.067 55.182 55.300 -0.085 0.000 1.126 90 M CB 1.641 34.190 32.600 -0.084 0.000 1.522 90 M HN 0.445 nan 8.290 nan 0.000 0.461 91 S N 0.570 116.204 115.700 -0.111 0.000 2.558 91 S HA 0.209 4.679 4.470 -0.000 0.000 0.277 91 S C -0.023 174.490 174.600 -0.144 0.000 1.143 91 S CA -0.697 57.437 58.200 -0.111 0.000 0.865 91 S CB 1.428 64.589 63.200 -0.066 0.000 1.102 91 S HN 0.841 nan 8.310 nan 0.000 0.454 92 E N 0.903 121.001 120.200 -0.170 0.000 2.268 92 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 92 E C -0.280 176.263 176.600 -0.096 0.000 0.995 92 E CA 0.622 56.906 56.400 -0.194 0.000 0.836 92 E CB 0.084 29.672 29.700 -0.186 0.000 0.763 92 E HN 0.545 nan 8.360 nan 0.000 0.491 93 D N 0.177 120.553 120.400 -0.039 0.000 2.517 93 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 93 D C 0.063 176.461 176.300 0.163 0.000 1.158 93 D CA -0.252 53.771 54.000 0.038 0.000 0.992 93 D CB -0.134 40.706 40.800 0.066 0.000 1.058 93 D HN 0.132 nan 8.370 nan 0.000 0.516 94 c N 1.965 120.634 118.600 0.115 0.000 3.657 94 c HA 0.381 4.951 4.570 -0.000 0.000 0.291 94 c C 0.793 174.995 174.090 0.187 0.000 1.572 94 c CA -0.689 55.767 56.329 0.212 0.000 1.818 94 c CB -1.308 41.238 42.510 0.060 0.000 2.903 94 c HN 0.404 nan 8.230 nan 0.000 0.632 95 L N 2.608 123.698 121.223 -0.221 0.000 2.382 95 L HA 0.350 4.690 4.340 -0.000 0.000 0.259 95 L C -0.759 175.366 176.870 -1.242 0.000 1.291 95 L CA 0.608 55.048 54.840 -0.667 0.000 1.176 95 L CB -0.807 40.727 42.059 -0.876 0.000 1.373 95 L HN 0.385 nan 8.230 nan 0.000 0.426 96 Y N 1.863 121.972 120.300 -0.319 0.000 2.634 96 Y HA 0.716 5.266 4.550 -0.000 0.000 0.340 96 Y C -0.114 175.892 175.900 0.176 0.000 1.058 96 Y CA -1.364 56.630 58.100 -0.176 0.000 1.081 96 Y CB 1.750 40.136 38.460 -0.123 0.000 1.295 96 Y HN 0.157 nan 8.280 nan 0.000 0.487 97 L N -0.304 121.056 121.223 0.228 0.000 2.376 97 L HA 0.746 5.086 4.340 -0.000 0.000 0.258 97 L C -1.397 175.497 176.870 0.041 0.000 1.013 97 L CA -1.181 53.744 54.840 0.141 0.000 0.822 97 L CB 1.893 43.950 42.059 -0.004 0.000 1.388 97 L HN 0.458 nan 8.230 nan 0.000 0.413 98 N N 1.827 120.575 118.700 0.081 0.000 2.314 98 N HA 0.756 5.495 4.740 -0.000 0.000 0.304 98 N C -1.248 174.197 175.510 -0.110 0.000 1.073 98 N CA -0.260 52.758 53.050 -0.052 0.000 0.822 98 N CB 2.732 41.218 38.487 -0.001 0.000 1.280 98 N HN 0.659 nan 8.380 nan 0.000 0.489 99 I N 0.237 120.645 120.570 -0.270 0.000 2.582 99 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 99 I C -0.832 175.203 176.117 -0.137 0.000 1.066 99 I CA -0.729 60.516 61.300 -0.091 0.000 1.053 99 I CB 2.421 40.317 38.000 -0.174 0.000 1.241 99 I HN 0.243 nan 8.210 nan 0.000 0.421 100 W N 5.644 127.085 121.300 0.235 0.000 2.411 100 W HA 0.565 5.225 4.660 -0.000 0.000 0.317 100 W C -1.118 175.548 176.519 0.246 0.000 1.030 100 W CA -0.624 56.861 57.345 0.233 0.000 1.239 100 W CB 2.112 31.676 29.460 0.173 0.000 1.304 100 W HN 0.082 nan 8.180 nan 0.000 0.437 101 V N 5.303 125.491 119.914 0.456 0.000 2.495 101 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 101 V C -1.982 174.310 176.094 0.330 0.000 1.031 101 V CA -2.339 60.194 62.300 0.388 0.000 0.871 101 V CB 1.986 34.084 31.823 0.459 0.000 0.988 101 V HN 0.237 nan 8.190 nan 0.000 0.432 102 P HA 0.117 nan 4.420 nan 0.000 0.268 102 P C -0.630 176.794 177.300 0.207 0.000 1.208 102 P CA 0.221 63.453 63.100 0.219 0.000 0.777 102 P CB 0.565 32.352 31.700 0.145 0.000 0.875 103 S N 2.019 117.840 115.700 0.202 0.000 2.605 103 S HA 0.533 5.003 4.470 -0.000 0.000 0.308 103 S C -2.435 172.250 174.600 0.142 0.000 1.113 103 S CA -1.570 56.734 58.200 0.172 0.000 1.049 103 S CB 0.109 63.416 63.200 0.179 0.000 1.001 103 S HN 0.249 nan 8.310 nan 0.000 0.480 104 P HA 0.162 nan 4.420 nan 0.000 0.269 104 P C -0.501 176.866 177.300 0.111 0.000 1.215 104 P CA -0.548 62.613 63.100 0.101 0.000 0.780 104 P CB 0.396 32.142 31.700 0.075 0.000 0.898 105 R N 2.723 123.296 120.500 0.121 0.000 2.486 105 R HA 0.086 4.426 4.340 -0.000 0.000 0.303 105 R C -1.865 174.492 176.300 0.096 0.000 0.958 105 R CA -0.843 55.335 56.100 0.130 0.000 1.077 105 R CB -0.546 29.832 30.300 0.130 0.000 0.921 105 R HN 0.365 nan 8.270 nan 0.000 0.406 106 P HA 0.036 nan 4.420 nan 0.000 0.271 106 P C -0.137 177.195 177.300 0.055 0.000 1.244 106 P CA -0.270 62.871 63.100 0.068 0.000 0.793 106 P CB 0.720 32.462 31.700 0.072 0.000 0.984 107 K N -0.377 120.044 120.400 0.035 0.000 2.063 107 K HA 0.092 4.412 4.320 -0.000 0.000 0.204 107 K C 0.604 177.209 176.600 0.007 0.000 1.039 107 K CA 1.076 57.375 56.287 0.020 0.000 0.957 107 K CB -0.069 32.438 32.500 0.012 0.000 0.764 107 K HN 0.288 nan 8.250 nan 0.000 0.447 108 S N 0.999 116.702 115.700 0.003 0.000 2.440 108 S HA 0.133 4.603 4.470 -0.000 0.000 0.142 108 S C -0.831 173.768 174.600 -0.002 0.000 1.578 108 S CA -0.534 57.659 58.200 -0.011 0.000 1.260 108 S CB 0.706 63.890 63.200 -0.028 0.000 1.407 108 S HN 0.161 nan 8.310 nan 0.000 0.392 109 T N 1.739 116.303 114.554 0.016 0.000 2.897 109 T HA 0.532 4.881 4.350 -0.000 0.000 0.278 109 T C 0.243 174.954 174.700 0.019 0.000 0.981 109 T CA -0.025 62.086 62.100 0.019 0.000 0.973 109 T CB 0.970 69.860 68.868 0.036 0.000 1.092 109 T HN 0.472 nan 8.240 nan 0.000 0.543 110 T N 2.071 116.633 114.554 0.013 0.000 2.940 110 T HA 0.363 4.713 4.350 -0.000 0.000 0.309 110 T C -0.370 174.352 174.700 0.037 0.000 1.056 110 T CA -0.287 61.818 62.100 0.008 0.000 1.137 110 T CB 0.334 69.193 68.868 -0.014 0.000 0.976 110 T HN 0.401 nan 8.240 nan 0.000 0.547 111 V N 4.567 124.508 119.914 0.045 0.000 2.555 111 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 111 V C -0.139 176.013 176.094 0.097 0.000 1.038 111 V CA -0.821 61.531 62.300 0.086 0.000 0.887 111 V CB 1.788 33.667 31.823 0.093 0.000 0.991 111 V HN 0.838 nan 8.190 nan 0.000 0.434 112 M N 4.243 123.930 119.600 0.144 0.000 2.259 112 M HA 0.581 5.061 4.480 -0.000 0.000 0.304 112 M C -1.297 175.244 176.300 0.401 0.000 1.019 112 M CA -0.626 54.786 55.300 0.187 0.000 0.922 112 M CB 2.306 34.903 32.600 -0.005 0.000 1.600 112 M HN 0.363 nan 8.290 nan 0.000 0.433 113 V N 2.905 123.092 119.914 0.455 0.000 2.384 113 V HA 0.360 4.480 4.120 -0.000 0.000 0.287 113 V C -0.901 175.456 176.094 0.439 0.000 1.020 113 V CA -0.604 61.932 62.300 0.393 0.000 0.850 113 V CB 1.651 33.579 31.823 0.176 0.000 0.987 113 V HN 0.861 nan 8.190 nan 0.000 0.436 114 W N 6.953 128.305 121.300 0.085 0.000 2.338 114 W HA 0.605 5.264 4.660 -0.000 0.000 0.307 114 W C -1.250 175.126 176.519 -0.239 0.000 1.167 114 W CA -0.791 56.349 57.345 -0.342 0.000 1.208 114 W CB 1.275 30.584 29.460 -0.253 0.000 1.228 114 W HN 0.461 nan 8.180 nan 0.000 0.499 115 I N 9.699 129.558 120.570 -1.184 0.000 2.428 115 I HA 0.035 4.205 4.170 -0.000 0.000 0.279 115 I C -0.140 175.227 176.117 -1.250 0.000 1.040 115 I CA -1.070 59.651 61.300 -0.966 0.000 1.171 115 I CB 0.172 37.799 38.000 -0.622 0.000 1.312 115 I HN 0.280 nan 8.210 nan 0.000 0.470 116 Y N 4.245 124.039 120.300 -0.843 0.000 2.757 116 Y HA 0.472 5.022 4.550 -0.000 0.000 0.344 116 Y C 0.811 176.562 175.900 -0.248 0.000 1.263 116 Y CA -0.637 57.158 58.100 -0.508 0.000 1.493 116 Y CB -0.199 38.249 38.460 -0.020 0.000 1.342 116 Y HN 0.484 nan 8.280 nan 0.000 0.627 117 G N -0.505 108.333 108.800 0.063 0.000 2.736 117 G HA2 0.510 4.470 3.960 -0.000 0.000 0.229 117 G HA3 0.510 4.470 3.960 -0.000 0.000 0.229 117 G C 0.295 175.153 174.900 -0.070 0.000 1.380 117 G CA -0.930 44.127 45.100 -0.072 0.000 1.040 117 G HN 1.752 nan 8.290 nan 0.000 0.568 118 G N -2.771 105.839 108.800 -0.316 0.000 2.192 118 G HA2 0.407 4.367 3.960 -0.000 0.000 0.152 118 G HA3 0.407 4.367 3.960 -0.000 0.000 0.152 118 G C 1.087 175.524 174.900 -0.771 0.000 1.057 118 G CA 0.713 45.507 45.100 -0.509 0.000 0.748 118 G HN 2.313 nan 8.290 nan 0.000 0.488 119 G N -0.599 107.763 108.800 -0.730 0.000 2.180 119 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.263 119 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.263 119 G C 0.942 175.692 174.900 -0.249 0.000 0.989 119 G CA 0.984 45.518 45.100 -0.944 0.000 0.692 119 G HN 1.815 nan 8.290 nan 0.000 0.526 120 F N -3.439 116.464 119.950 -0.078 0.000 2.794 120 F HA -0.278 4.249 4.527 -0.000 0.000 0.335 120 F C 1.346 177.279 175.800 0.221 0.000 0.653 120 F CA 1.988 60.053 58.000 0.108 0.000 1.266 120 F CB -2.058 36.886 39.000 -0.094 0.000 1.666 120 F HN 0.940 nan 8.300 nan 0.000 0.314 121 Y N -0.959 119.431 120.300 0.150 0.000 2.527 121 Y HA 0.676 5.226 4.550 -0.000 0.000 0.247 121 Y C 0.499 176.494 175.900 0.159 0.000 1.138 121 Y CA 0.261 58.458 58.100 0.162 0.000 1.228 121 Y CB 0.089 38.561 38.460 0.021 0.000 1.252 121 Y HN 0.120 nan 8.280 nan 0.000 0.531 122 S N -0.805 114.660 115.700 -0.392 0.000 2.661 122 S HA 0.858 5.328 4.470 -0.000 0.000 0.268 122 S C -0.300 174.105 174.600 -0.325 0.000 1.162 122 S CA -0.491 57.508 58.200 -0.335 0.000 0.817 122 S CB 1.347 64.250 63.200 -0.495 0.000 1.141 122 S HN 1.359 nan 8.310 nan 0.000 0.477 123 G N -0.231 108.349 108.800 -0.368 0.000 2.453 123 G HA2 0.433 4.393 3.960 -0.000 0.000 0.665 123 G HA3 0.433 4.393 3.960 -0.000 0.000 0.665 123 G C -1.040 173.190 174.900 -1.116 0.000 1.411 123 G CA -0.308 44.408 45.100 -0.640 0.000 0.889 123 G HN 1.371 nan 8.290 nan 0.000 0.651 124 S N -0.824 114.249 115.700 -1.044 0.000 2.546 124 S HA 0.712 5.182 4.470 -0.000 0.000 0.274 124 S C 0.977 175.443 174.600 -0.224 0.000 1.121 124 S CA 0.059 57.846 58.200 -0.688 0.000 0.887 124 S CB 1.841 64.850 63.200 -0.318 0.000 1.094 124 S HN 1.922 nan 8.310 nan 0.000 0.474 125 S N -0.235 115.532 115.700 0.111 0.000 2.558 125 S HA -0.038 4.432 4.470 -0.000 0.000 0.217 125 S C 1.283 175.979 174.600 0.161 0.000 0.975 125 S CA 0.764 59.214 58.200 0.417 0.000 0.912 125 S CB -0.582 62.876 63.200 0.430 0.000 0.776 125 S HN 0.833 nan 8.310 nan 0.000 0.526 126 T N 0.117 114.568 114.554 -0.172 0.000 3.105 126 T HA 0.422 4.772 4.350 -0.000 0.000 0.253 126 T C 0.510 174.939 174.700 -0.452 0.000 1.047 126 T CA -0.573 61.127 62.100 -0.668 0.000 0.944 126 T CB -0.552 67.789 68.868 -0.878 0.000 1.016 126 T HN 0.303 nan 8.240 nan 0.000 0.544 127 L N 1.833 122.867 121.223 -0.315 0.000 2.499 127 L HA 0.152 4.492 4.340 -0.000 0.000 0.281 127 L C 1.356 177.999 176.870 -0.380 0.000 1.234 127 L CA -0.453 54.118 54.840 -0.448 0.000 0.839 127 L CB 0.318 41.891 42.059 -0.810 0.000 1.104 127 L HN 0.072 nan 8.230 nan 0.000 0.500 128 D N 0.883 121.078 120.400 -0.341 0.000 2.144 128 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 128 D C 1.927 178.042 176.300 -0.310 0.000 0.984 128 D CA 0.950 54.815 54.000 -0.225 0.000 0.834 128 D CB 0.116 40.796 40.800 -0.200 0.000 0.955 128 D HN 0.371 nan 8.370 nan 0.000 0.465 129 V N 0.363 119.948 119.914 -0.549 0.000 3.241 129 V HA -0.195 3.925 4.120 -0.000 0.000 0.269 129 V C 0.580 176.262 176.094 -0.686 0.000 1.151 129 V CA 1.145 63.086 62.300 -0.599 0.000 1.158 129 V CB -0.546 30.805 31.823 -0.786 0.000 0.764 129 V HN 0.150 nan 8.190 nan 0.000 0.508 130 Y N -0.896 118.991 120.300 -0.690 0.000 2.531 130 Y HA 0.407 4.957 4.550 -0.000 0.000 0.249 130 Y C 1.034 176.624 175.900 -0.518 0.000 1.168 130 Y CA -1.503 55.949 58.100 -1.080 0.000 1.226 130 Y CB -0.882 37.187 38.460 -0.652 0.000 1.177 130 Y HN 0.201 nan 8.280 nan 0.000 0.527 131 N N 1.628 120.242 118.700 -0.143 0.000 2.374 131 N HA -0.055 4.685 4.740 -0.000 0.000 0.269 131 N C 1.288 176.581 175.510 -0.362 0.000 1.310 131 N CA 0.820 53.795 53.050 -0.124 0.000 0.877 131 N CB 1.083 39.560 38.487 -0.018 0.000 1.096 131 N HN 0.493 nan 8.380 nan 0.000 0.484 132 G N 3.303 111.344 108.800 -1.264 0.000 2.985 132 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.209 132 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.209 132 G C 1.435 175.673 174.900 -1.102 0.000 1.165 132 G CA 0.227 44.615 45.100 -1.187 0.000 0.776 132 G HN 0.754 nan 8.290 nan 0.000 0.541 133 K N -0.304 119.384 120.400 -1.187 0.000 2.097 133 K HA -0.137 4.182 4.320 -0.000 0.000 0.206 133 K C 1.758 178.156 176.600 -0.337 0.000 1.049 133 K CA 1.090 57.011 56.287 -0.611 0.000 0.933 133 K CB -0.582 31.636 32.500 -0.471 0.000 0.717 133 K HN 0.378 nan 8.250 nan 0.000 0.442 134 Y N 1.136 121.356 120.300 -0.133 0.000 2.145 134 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 134 Y C 2.480 178.374 175.900 -0.011 0.000 1.145 134 Y CA 0.733 58.805 58.100 -0.047 0.000 1.148 134 Y CB -0.354 38.054 38.460 -0.086 0.000 0.981 134 Y HN 0.049 nan 8.280 nan 0.000 0.507 135 L N 0.439 121.687 121.223 0.041 0.000 2.005 135 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 135 L C 2.422 179.297 176.870 0.008 0.000 1.072 135 L CA 1.946 56.762 54.840 -0.040 0.000 0.744 135 L CB -1.221 40.707 42.059 -0.218 0.000 0.895 135 L HN 0.133 nan 8.230 nan 0.000 0.433 136 A N -1.284 121.546 122.820 0.017 0.000 1.908 136 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 136 A C 2.343 180.007 177.584 0.134 0.000 1.181 136 A CA 2.110 54.209 52.037 0.104 0.000 0.627 136 A CB -1.285 17.836 19.000 0.201 0.000 0.818 136 A HN 0.691 nan 8.150 nan 0.000 0.445 137 Y N 0.821 121.143 120.300 0.036 0.000 2.184 137 Y HA -0.142 4.408 4.550 -0.000 0.000 0.290 137 Y C 2.616 178.543 175.900 0.045 0.000 1.129 137 Y CA 2.316 60.446 58.100 0.049 0.000 1.144 137 Y CB -0.473 38.005 38.460 0.030 0.000 0.995 137 Y HN 0.284 nan 8.280 nan 0.000 0.513 138 T N 0.239 114.819 114.554 0.043 0.000 2.857 138 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 138 T C 1.201 175.861 174.700 -0.067 0.000 1.048 138 T CA 1.538 63.609 62.100 -0.049 0.000 1.139 138 T CB -0.076 68.839 68.868 0.078 0.000 0.874 138 T HN 0.302 nan 8.240 nan 0.000 0.455 139 E N 0.679 120.871 120.200 -0.014 0.000 2.481 139 E HA 0.115 4.465 4.350 -0.000 0.000 0.198 139 E C 0.027 176.629 176.600 0.003 0.000 1.027 139 E CA -0.003 56.409 56.400 0.021 0.000 0.900 139 E CB 0.093 29.818 29.700 0.043 0.000 0.993 139 E HN 0.575 nan 8.360 nan 0.000 0.482 140 E N 0.228 120.412 120.200 -0.027 0.000 2.252 140 E HA -0.174 4.176 4.350 -0.000 0.000 0.218 140 E C -0.050 176.572 176.600 0.037 0.000 1.253 140 E CA 0.502 56.899 56.400 -0.006 0.000 0.705 140 E CB -1.857 27.829 29.700 -0.022 0.000 1.172 140 E HN 0.134 nan 8.360 nan 0.000 0.369 141 V N -3.803 116.146 119.914 0.059 0.000 3.046 141 V HA 0.670 4.790 4.120 -0.000 0.000 0.316 141 V C 0.367 176.538 176.094 0.128 0.000 1.104 141 V CA -1.095 61.248 62.300 0.072 0.000 1.006 141 V CB 2.302 34.152 31.823 0.045 0.000 1.058 141 V HN -0.041 nan 8.190 nan 0.000 0.440 142 V N 3.563 123.560 119.914 0.139 0.000 2.368 142 V HA 0.362 4.482 4.120 -0.000 0.000 0.266 142 V C -0.154 176.073 176.094 0.220 0.000 1.045 142 V CA -0.137 62.279 62.300 0.193 0.000 0.899 142 V CB 0.846 32.770 31.823 0.167 0.000 1.006 142 V HN 0.748 nan 8.190 nan 0.000 0.470 143 L N 7.777 129.186 121.223 0.310 0.000 2.272 143 L HA 0.616 4.955 4.340 -0.000 0.000 0.289 143 L C -0.282 176.887 176.870 0.499 0.000 1.032 143 L CA 0.222 55.288 54.840 0.377 0.000 0.810 143 L CB 1.574 43.831 42.059 0.331 0.000 1.205 143 L HN 0.393 nan 8.230 nan 0.000 0.422 144 V N 3.757 123.927 119.914 0.427 0.000 2.547 144 V HA 0.588 4.708 4.120 -0.000 0.000 0.299 144 V C -0.035 176.337 176.094 0.464 0.000 1.040 144 V CA -0.549 61.978 62.300 0.378 0.000 0.913 144 V CB 1.753 33.717 31.823 0.235 0.000 0.992 144 V HN 0.820 nan 8.190 nan 0.000 0.449 145 S N 4.575 120.555 115.700 0.466 0.000 2.640 145 S HA 0.708 5.178 4.470 -0.000 0.000 0.320 145 S C -0.691 174.098 174.600 0.314 0.000 1.097 145 S CA -0.656 57.846 58.200 0.503 0.000 1.092 145 S CB 0.460 64.083 63.200 0.705 0.000 0.988 145 S HN 0.609 nan 8.310 nan 0.000 0.470 146 L N 3.357 124.701 121.223 0.202 0.000 2.397 146 L HA 1.007 5.347 4.340 -0.000 0.000 0.266 146 L C 0.013 177.001 176.870 0.197 0.000 1.040 146 L CA -0.605 54.310 54.840 0.124 0.000 0.800 146 L CB 0.800 42.816 42.059 -0.072 0.000 1.324 146 L HN 0.577 nan 8.230 nan 0.000 0.469 147 S N -1.431 114.443 115.700 0.290 0.000 2.651 147 S HA 0.900 5.370 4.470 -0.000 0.000 0.279 147 S C -1.314 173.548 174.600 0.436 0.000 1.148 147 S CA -0.487 57.929 58.200 0.359 0.000 0.837 147 S CB 1.531 64.996 63.200 0.442 0.000 1.138 147 S HN 1.317 nan 8.310 nan 0.000 0.478 148 Y N -1.817 118.614 120.300 0.218 0.000 2.604 148 Y HA 0.663 5.213 4.550 -0.000 0.000 0.331 148 Y C -0.820 175.221 175.900 0.235 0.000 1.158 148 Y CA -1.376 56.842 58.100 0.197 0.000 1.056 148 Y CB 0.618 39.146 38.460 0.113 0.000 1.330 148 Y HN 0.793 nan 8.280 nan 0.000 0.457 149 R N 1.888 122.514 120.500 0.211 0.000 2.570 149 R HA 0.488 4.828 4.340 -0.000 0.000 0.277 149 R C -0.180 176.258 176.300 0.229 0.000 1.039 149 R CA 0.054 56.231 56.100 0.128 0.000 1.065 149 R CB 0.691 31.040 30.300 0.081 0.000 0.964 149 R HN 0.694 nan 8.270 nan 0.000 0.428 150 V N -0.183 119.886 119.914 0.260 0.000 3.113 150 V HA 0.899 5.019 4.120 -0.000 0.000 0.316 150 V C 0.702 177.108 176.094 0.520 0.000 1.125 150 V CA -0.113 62.468 62.300 0.469 0.000 1.026 150 V CB 1.289 33.280 31.823 0.281 0.000 1.080 150 V HN 0.987 nan 8.190 nan 0.000 0.444 151 G N 0.779 109.948 108.800 0.614 0.000 2.601 151 G HA2 0.041 4.001 3.960 -0.000 0.000 0.261 151 G HA3 0.041 4.001 3.960 -0.000 0.000 0.261 151 G C 0.997 176.108 174.900 0.351 0.000 1.289 151 G CA 0.956 46.376 45.100 0.534 0.000 0.920 151 G HN 2.220 nan 8.290 nan 0.000 0.571 152 A N -1.219 121.528 122.820 -0.123 0.000 1.917 152 A HA 0.142 4.462 4.320 -0.000 0.000 0.219 152 A C 2.263 179.713 177.584 -0.222 0.000 1.182 152 A CA 2.706 54.264 52.037 -0.799 0.000 0.633 152 A CB -0.591 17.753 19.000 -1.094 0.000 0.819 152 A HN 1.061 nan 8.150 nan 0.000 0.448 153 F N -0.015 119.996 119.950 0.103 0.000 2.250 153 F HA -0.060 4.467 4.527 -0.000 0.000 0.301 153 F C 2.378 178.199 175.800 0.036 0.000 1.077 153 F CA 1.166 59.217 58.000 0.085 0.000 1.348 153 F CB -0.477 38.512 39.000 -0.018 0.000 1.040 153 F HN 0.311 nan 8.300 nan 0.000 0.509 154 G N -2.670 106.214 108.800 0.141 0.000 3.062 154 G HA2 0.125 4.085 3.960 -0.000 0.000 0.228 154 G HA3 0.125 4.085 3.960 -0.000 0.000 0.228 154 G C 0.581 174.972 174.900 -0.849 0.000 1.094 154 G CA 0.051 44.984 45.100 -0.278 0.000 0.782 154 G HN 0.328 nan 8.290 nan 0.000 0.541 155 F N -0.459 119.565 119.950 0.123 0.000 2.936 155 F HA 0.399 4.925 4.527 -0.000 0.000 0.334 155 F C 0.165 175.995 175.800 0.051 0.000 1.170 155 F CA -1.028 57.023 58.000 0.084 0.000 1.104 155 F CB 0.424 39.494 39.000 0.116 0.000 1.216 155 F HN -0.081 nan 8.300 nan 0.000 0.518 156 L N 2.446 123.634 121.223 -0.059 0.000 2.584 156 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 156 L C 0.155 176.976 176.870 -0.081 0.000 1.195 156 L CA 0.197 54.886 54.840 -0.252 0.000 0.920 156 L CB 0.130 41.724 42.059 -0.775 0.000 1.173 156 L HN 0.179 nan 8.230 nan 0.000 0.489 157 A N 6.901 129.737 122.820 0.026 0.000 2.332 157 A HA 0.675 4.995 4.320 -0.000 0.000 0.300 157 A C -0.812 176.788 177.584 0.027 0.000 1.153 157 A CA -0.491 51.570 52.037 0.040 0.000 0.764 157 A CB 0.687 19.742 19.000 0.090 0.000 1.174 157 A HN 0.718 nan 8.150 nan 0.000 0.467 158 L N 3.508 124.742 121.223 0.018 0.000 2.556 158 L HA 0.225 4.565 4.340 -0.000 0.000 0.243 158 L C -0.115 176.795 176.870 0.068 0.000 1.331 158 L CA -0.779 54.075 54.840 0.023 0.000 0.927 158 L CB 0.449 42.489 42.059 -0.030 0.000 1.219 158 L HN 0.908 nan 8.230 nan 0.000 0.490 159 H N 1.539 120.611 119.070 0.003 0.000 3.173 159 H HA 0.190 4.746 4.556 -0.000 0.000 0.311 159 H C 1.134 176.469 175.328 0.011 0.000 0.972 159 H CA 1.845 57.901 56.048 0.014 0.000 1.384 159 H CB 0.737 30.511 29.762 0.019 0.000 1.349 159 H HN 0.702 nan 8.280 nan 0.000 0.582 160 G N 2.516 111.075 108.800 -0.401 0.000 2.424 160 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.207 160 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.207 160 G C 0.518 175.336 174.900 -0.137 0.000 1.061 160 G CA 0.162 45.097 45.100 -0.274 0.000 0.657 160 G HN 0.900 nan 8.290 nan 0.000 0.508 161 S N 0.343 115.997 115.700 -0.075 0.000 2.592 161 S HA 0.543 5.012 4.470 -0.000 0.000 0.271 161 S C 0.989 175.577 174.600 -0.021 0.000 1.326 161 S CA 0.477 58.658 58.200 -0.033 0.000 1.024 161 S CB 1.243 64.435 63.200 -0.013 0.000 0.921 161 S HN 0.296 nan 8.310 nan 0.000 0.527 162 Q N 1.393 121.192 119.800 -0.002 0.000 2.247 162 Q HA 0.230 4.570 4.340 -0.000 0.000 0.211 162 Q C 0.747 176.766 176.000 0.032 0.000 0.861 162 Q CA 0.037 55.847 55.803 0.012 0.000 0.949 162 Q CB 0.480 29.224 28.738 0.010 0.000 1.115 162 Q HN 0.685 nan 8.270 nan 0.000 0.507 163 E N 0.420 120.643 120.200 0.038 0.000 2.216 163 E HA 0.145 4.495 4.350 -0.000 0.000 0.192 163 E C 0.197 176.853 176.600 0.093 0.000 0.973 163 E CA 0.465 56.905 56.400 0.066 0.000 0.851 163 E CB 0.705 30.449 29.700 0.073 0.000 0.804 163 E HN 0.101 nan 8.360 nan 0.000 0.477 164 A N 2.009 124.861 122.820 0.052 0.000 3.370 164 A HA 0.289 4.609 4.320 -0.000 0.000 0.295 164 A C -2.009 175.582 177.584 0.011 0.000 1.030 164 A CA -0.898 51.155 52.037 0.027 0.000 0.883 164 A CB 0.600 19.539 19.000 -0.102 0.000 1.191 164 A HN -0.109 nan 8.150 nan 0.000 0.507 165 P HA 0.109 nan 4.420 nan 0.000 0.221 165 P C 0.890 178.244 177.300 0.089 0.000 1.150 165 P CA 1.840 64.978 63.100 0.064 0.000 0.800 165 P CB 0.213 31.951 31.700 0.063 0.000 0.787 166 G N 0.347 109.180 108.800 0.055 0.000 2.619 166 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 166 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 166 G C -0.131 174.790 174.900 0.036 0.000 1.256 166 G CA -0.283 44.855 45.100 0.064 0.000 0.826 166 G HN 0.113 nan 8.290 nan 0.000 0.619 167 N N -2.313 116.419 118.700 0.054 0.000 2.778 167 N HA -0.295 4.445 4.740 -0.000 0.000 0.249 167 N C 1.997 177.392 175.510 -0.192 0.000 1.069 167 N CA 2.472 55.499 53.050 -0.039 0.000 0.831 167 N CB -1.663 36.716 38.487 -0.180 0.000 1.142 167 N HN 1.882 nan 8.380 nan 0.000 0.573 168 V N -2.607 117.180 119.914 -0.210 0.000 2.568 168 V HA -0.070 4.050 4.120 -0.000 0.000 0.253 168 V C 2.368 178.328 176.094 -0.222 0.000 1.072 168 V CA 2.368 64.576 62.300 -0.155 0.000 1.084 168 V CB -1.043 30.730 31.823 -0.084 0.000 0.676 168 V HN 0.294 nan 8.190 nan 0.000 0.469 169 G N 0.380 108.820 108.800 -0.600 0.000 2.418 169 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 169 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 169 G C 1.563 176.454 174.900 -0.015 0.000 1.158 169 G CA 1.121 45.995 45.100 -0.376 0.000 0.771 169 G HN 0.526 nan 8.290 nan 0.000 0.545 170 L N -0.109 121.087 121.223 -0.046 0.000 2.093 170 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 170 L C 2.843 179.744 176.870 0.053 0.000 1.085 170 L CA 0.415 55.192 54.840 -0.106 0.000 0.755 170 L CB -0.264 41.437 42.059 -0.597 0.000 0.904 170 L HN 0.188 nan 8.230 nan 0.000 0.435 171 L N -0.652 120.594 121.223 0.039 0.000 2.141 171 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 171 L C 2.132 179.083 176.870 0.135 0.000 1.094 171 L CA 0.835 55.764 54.840 0.147 0.000 0.763 171 L CB -0.580 41.545 42.059 0.110 0.000 0.908 171 L HN 0.282 nan 8.230 nan 0.000 0.437 172 D N -0.130 120.347 120.400 0.129 0.000 2.117 172 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 172 D C 2.285 178.649 176.300 0.107 0.000 0.987 172 D CA 1.105 55.239 54.000 0.223 0.000 0.829 172 D CB -0.124 40.856 40.800 0.300 0.000 0.961 172 D HN 0.428 nan 8.370 nan 0.000 0.460 173 Q N 0.253 120.083 119.800 0.050 0.000 2.050 173 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 173 Q C 2.310 178.224 176.000 -0.145 0.000 0.980 173 Q CA 0.967 56.718 55.803 -0.086 0.000 0.840 173 Q CB -0.118 28.599 28.738 -0.036 0.000 0.898 173 Q HN 0.203 nan 8.270 nan 0.000 0.424 174 R N 0.753 121.258 120.500 0.009 0.000 2.091 174 R HA -0.188 4.151 4.340 -0.000 0.000 0.238 174 R C 2.234 178.509 176.300 -0.042 0.000 1.136 174 R CA 1.735 57.827 56.100 -0.013 0.000 0.959 174 R CB -0.202 30.187 30.300 0.149 0.000 0.856 174 R HN 0.262 nan 8.270 nan 0.000 0.437 175 M N -0.014 119.578 119.600 -0.012 0.000 2.159 175 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 175 M C 2.034 178.254 176.300 -0.133 0.000 1.063 175 M CA 1.967 57.280 55.300 0.021 0.000 1.110 175 M CB 0.011 32.714 32.600 0.171 0.000 1.374 175 M HN 0.298 nan 8.290 nan 0.000 0.411 176 A N 0.137 122.636 122.820 -0.535 0.000 1.930 176 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 176 A C 2.006 179.478 177.584 -0.187 0.000 1.175 176 A CA 1.286 52.866 52.037 -0.760 0.000 0.627 176 A CB -0.898 17.435 19.000 -1.112 0.000 0.815 176 A HN 0.578 nan 8.150 nan 0.000 0.443 177 L N -1.102 120.032 121.223 -0.148 0.000 2.093 177 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 177 L C 2.793 179.702 176.870 0.065 0.000 1.085 177 L CA 1.539 56.359 54.840 -0.033 0.000 0.755 177 L CB -0.434 41.566 42.059 -0.099 0.000 0.904 177 L HN 0.463 nan 8.230 nan 0.000 0.435 178 Q N -0.259 119.571 119.800 0.050 0.000 2.124 178 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 178 Q C 1.990 178.093 176.000 0.171 0.000 0.977 178 Q CA 1.818 57.668 55.803 0.079 0.000 0.850 178 Q CB -0.422 28.351 28.738 0.059 0.000 0.901 178 Q HN 0.488 nan 8.270 nan 0.000 0.429 179 W N -0.851 120.460 121.300 0.019 0.000 2.381 179 W HA -0.126 4.534 4.660 -0.000 0.000 0.301 179 W C 1.752 178.312 176.519 0.068 0.000 1.205 179 W CA 1.529 58.911 57.345 0.062 0.000 1.285 179 W CB -0.102 29.391 29.460 0.055 0.000 1.133 179 W HN -0.008 nan 8.180 nan 0.000 0.521 180 V N 0.121 120.253 119.914 0.363 0.000 2.407 180 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 180 V C 2.522 178.640 176.094 0.039 0.000 1.055 180 V CA 2.306 64.741 62.300 0.225 0.000 1.049 180 V CB -1.240 30.711 31.823 0.212 0.000 0.662 180 V HN 0.354 nan 8.190 nan 0.000 0.455 181 H N 0.186 119.243 119.070 -0.022 0.000 2.387 181 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 181 H C 1.752 176.996 175.328 -0.140 0.000 1.090 181 H CA 1.904 57.914 56.048 -0.063 0.000 1.332 181 H CB 0.158 29.902 29.762 -0.031 0.000 1.386 181 H HN 0.432 nan 8.280 nan 0.000 0.516 182 D N -0.473 119.867 120.400 -0.099 0.000 2.327 182 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 182 D C 1.094 177.190 176.300 -0.341 0.000 0.989 182 D CA 0.373 54.254 54.000 -0.197 0.000 0.873 182 D CB 0.142 40.883 40.800 -0.099 0.000 0.955 182 D HN 0.439 nan 8.370 nan 0.000 0.515 183 N N -0.099 118.307 118.700 -0.489 0.000 2.145 183 N HA 0.037 4.777 4.740 -0.000 0.000 0.219 183 N C 1.414 176.788 175.510 -0.227 0.000 1.266 183 N CA -0.147 52.655 53.050 -0.414 0.000 0.902 183 N CB 1.196 39.163 38.487 -0.866 0.000 1.078 183 N HN 0.012 nan 8.380 nan 0.000 0.513 184 I N 3.067 123.512 120.570 -0.209 0.000 2.454 184 I HA -0.234 3.936 4.170 -0.000 0.000 0.254 184 I C 2.535 178.637 176.117 -0.025 0.000 1.156 184 I CA 1.376 62.692 61.300 0.026 0.000 1.433 184 I CB -0.179 37.830 38.000 0.014 0.000 1.082 184 I HN 0.180 nan 8.210 nan 0.000 0.432 185 Q N -0.845 118.760 119.800 -0.325 0.000 2.234 185 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 185 Q C 1.736 177.541 176.000 -0.324 0.000 0.980 185 Q CA 1.635 57.214 55.803 -0.374 0.000 0.869 185 Q CB -0.819 27.580 28.738 -0.565 0.000 0.912 185 Q HN 0.416 nan 8.270 nan 0.000 0.436 186 F N -0.444 119.454 119.950 -0.088 0.000 2.661 186 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 186 F C 0.783 176.331 175.800 -0.420 0.000 1.137 186 F CA 0.119 57.961 58.000 -0.263 0.000 1.454 186 F CB -0.019 38.747 39.000 -0.390 0.000 1.103 186 F HN -0.004 nan 8.300 nan 0.000 0.577 187 F N -0.764 119.189 119.950 0.005 0.000 2.653 187 F HA 0.451 4.978 4.527 -0.000 0.000 0.304 187 F C 1.695 177.501 175.800 0.011 0.000 1.092 187 F CA 0.203 58.180 58.000 -0.038 0.000 1.279 187 F CB 0.232 39.173 39.000 -0.099 0.000 1.044 187 F HN 0.014 nan 8.300 nan 0.000 0.564 188 G N 0.191 109.064 108.800 0.122 0.000 2.176 188 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.232 188 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.232 188 G C 0.529 175.471 174.900 0.069 0.000 0.986 188 G CA -0.296 44.856 45.100 0.086 0.000 0.643 188 G HN 0.714 nan 8.290 nan 0.000 0.522 189 G N -0.413 108.429 108.800 0.070 0.000 2.412 189 G HA2 0.519 4.479 3.960 -0.000 0.000 0.318 189 G HA3 0.519 4.479 3.960 -0.000 0.000 0.318 189 G C -0.896 173.991 174.900 -0.022 0.000 1.146 189 G CA 0.224 45.349 45.100 0.042 0.000 0.882 189 G HN 0.276 nan 8.290 nan 0.000 0.501 190 D N 1.717 122.103 120.400 -0.023 0.000 2.380 190 D HA 0.259 4.899 4.640 -0.000 0.000 0.230 190 D C -0.950 175.316 176.300 -0.058 0.000 1.154 190 D CA -2.402 51.565 54.000 -0.055 0.000 0.859 190 D CB 1.750 42.525 40.800 -0.041 0.000 1.045 190 D HN 0.076 nan 8.370 nan 0.000 0.495 191 P HA -0.137 nan 4.420 nan 0.000 0.228 191 P C 0.439 177.707 177.300 -0.052 0.000 1.151 191 P CA 0.786 63.821 63.100 -0.108 0.000 0.770 191 P CB 0.301 31.832 31.700 -0.282 0.000 0.786 192 K N -0.762 119.602 120.400 -0.060 0.000 2.426 192 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 192 K C 0.263 176.850 176.600 -0.021 0.000 1.028 192 K CA 0.647 56.913 56.287 -0.035 0.000 1.047 192 K CB 0.113 32.583 32.500 -0.049 0.000 0.821 192 K HN 0.057 nan 8.250 nan 0.000 0.513 193 T N 1.099 115.644 114.554 -0.014 0.000 3.585 193 T HA 0.155 4.505 4.350 -0.000 0.000 0.252 193 T C -1.000 173.710 174.700 0.016 0.000 1.382 193 T CA -0.371 61.720 62.100 -0.014 0.000 1.584 193 T CB 0.796 69.644 68.868 -0.033 0.000 0.892 193 T HN -0.120 nan 8.240 nan 0.000 0.671 194 V N 1.919 121.868 119.914 0.060 0.000 2.435 194 V HA 0.668 4.788 4.120 -0.000 0.000 0.290 194 V C -0.456 175.727 176.094 0.148 0.000 1.030 194 V CA 0.010 62.374 62.300 0.106 0.000 0.881 194 V CB 1.672 33.581 31.823 0.143 0.000 0.983 194 V HN 0.562 nan 8.190 nan 0.000 0.445 195 T N 8.439 123.068 114.554 0.125 0.000 2.779 195 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 195 T C -0.191 174.623 174.700 0.191 0.000 0.987 195 T CA -0.144 62.044 62.100 0.146 0.000 0.966 195 T CB 0.752 69.659 68.868 0.066 0.000 0.933 195 T HN 0.744 nan 8.240 nan 0.000 0.442 196 I N 1.979 122.638 120.570 0.148 0.000 2.353 196 I HA 0.826 4.996 4.170 -0.000 0.000 0.293 196 I C -0.832 175.444 176.117 0.264 0.000 0.992 196 I CA -0.974 60.394 61.300 0.113 0.000 1.268 196 I CB 0.714 38.560 38.000 -0.257 0.000 1.387 196 I HN 0.448 nan 8.210 nan 0.000 0.478 197 F N 3.411 123.383 119.950 0.037 0.000 2.588 197 F HA 1.016 5.542 4.527 -0.000 0.000 0.310 197 F C -0.375 175.387 175.800 -0.064 0.000 1.082 197 F CA -1.492 56.563 58.000 0.092 0.000 0.929 197 F CB 1.397 40.577 39.000 0.299 0.000 1.254 197 F HN 0.793 nan 8.300 nan 0.000 0.455 198 G N 1.193 109.870 108.800 -0.205 0.000 2.646 198 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 198 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 198 G C -2.483 172.251 174.900 -0.276 0.000 1.445 198 G CA -0.803 43.844 45.100 -0.754 0.000 0.814 198 G HN 0.856 nan 8.290 nan 0.000 0.495 199 E N 0.357 120.372 120.200 -0.308 0.000 2.227 199 E HA 0.633 4.983 4.350 -0.000 0.000 0.268 199 E C 0.777 177.326 176.600 -0.085 0.000 0.907 199 E CA 0.267 56.660 56.400 -0.012 0.000 0.786 199 E CB 2.071 31.877 29.700 0.176 0.000 1.191 199 E HN 0.728 nan 8.360 nan 0.000 0.411 200 S N 2.444 118.154 115.700 0.017 0.000 4.139 200 S HA -0.397 4.073 4.470 -0.000 0.000 0.603 200 S C 1.455 176.135 174.600 0.135 0.000 1.897 200 S CA 2.137 60.418 58.200 0.134 0.000 4.241 200 S CB -1.600 61.605 63.200 0.009 0.000 0.221 200 S HN 0.912 nan 8.310 nan 0.000 0.488 201 A N 0.952 123.731 122.820 -0.070 0.000 2.019 201 A HA 0.179 4.499 4.320 -0.000 0.000 0.219 201 A C 2.385 179.718 177.584 -0.418 0.000 1.164 201 A CA 2.309 54.114 52.037 -0.388 0.000 0.644 201 A CB -1.420 17.005 19.000 -0.958 0.000 0.805 201 A HN 1.472 nan 8.150 nan 0.000 0.449 202 G N -0.696 107.919 108.800 -0.308 0.000 2.403 202 G HA2 0.104 4.064 3.960 -0.000 0.000 0.216 202 G HA3 0.104 4.064 3.960 -0.000 0.000 0.216 202 G C 1.440 176.168 174.900 -0.288 0.000 1.154 202 G CA 1.089 45.964 45.100 -0.374 0.000 0.784 202 G HN 0.645 nan 8.290 nan 0.000 0.538 203 G N 0.920 109.611 108.800 -0.180 0.000 2.403 203 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 203 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 203 G C 1.975 176.785 174.900 -0.150 0.000 1.154 203 G CA 1.358 46.386 45.100 -0.121 0.000 0.784 203 G HN 0.569 nan 8.290 nan 0.000 0.538 204 A N 0.875 123.630 122.820 -0.109 0.000 1.898 204 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 204 A C 2.686 180.211 177.584 -0.098 0.000 1.181 204 A CA 2.105 54.056 52.037 -0.144 0.000 0.620 204 A CB -0.623 18.326 19.000 -0.086 0.000 0.819 204 A HN 0.282 nan 8.150 nan 0.000 0.442 205 S N -0.268 115.400 115.700 -0.055 0.000 2.359 205 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 205 S C 1.914 176.444 174.600 -0.117 0.000 1.039 205 S CA 1.586 59.737 58.200 -0.083 0.000 1.042 205 S CB -0.619 62.494 63.200 -0.146 0.000 0.915 205 S HN 0.342 nan 8.310 nan 0.000 0.439 206 V N 1.549 121.401 119.914 -0.103 0.000 2.324 206 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 206 V C 2.548 178.587 176.094 -0.092 0.000 1.060 206 V CA 2.033 64.279 62.300 -0.091 0.000 1.042 206 V CB -1.424 30.319 31.823 -0.133 0.000 0.650 206 V HN 0.623 nan 8.190 nan 0.000 0.450 207 G N -1.225 107.469 108.800 -0.176 0.000 2.448 207 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.218 207 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.218 207 G C 1.555 176.432 174.900 -0.038 0.000 1.135 207 G CA 0.697 45.658 45.100 -0.231 0.000 0.784 207 G HN 0.466 nan 8.290 nan 0.000 0.543 208 M N -0.197 119.398 119.600 -0.009 0.000 2.319 208 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 208 M C 2.172 178.568 176.300 0.159 0.000 1.068 208 M CA 0.729 56.149 55.300 0.200 0.000 1.118 208 M CB -0.180 32.559 32.600 0.233 0.000 1.395 208 M HN 0.164 nan 8.290 nan 0.000 0.435 209 H N 0.023 119.196 119.070 0.171 0.000 2.436 209 H HA 0.080 4.636 4.556 -0.000 0.000 0.294 209 H C 2.092 177.606 175.328 0.310 0.000 1.048 209 H CA 1.179 57.321 56.048 0.156 0.000 1.353 209 H CB -0.071 29.664 29.762 -0.045 0.000 1.414 209 H HN 0.401 nan 8.280 nan 0.000 0.536 210 I N 0.557 121.381 120.570 0.424 0.000 2.394 210 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 210 I C 2.056 178.415 176.117 0.403 0.000 1.136 210 I CA 0.875 62.481 61.300 0.509 0.000 1.425 210 I CB -0.018 38.213 38.000 0.386 0.000 1.079 210 I HN 0.135 nan 8.210 nan 0.000 0.425 211 L N -0.765 120.653 121.223 0.325 0.000 2.202 211 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 211 L C 1.492 178.470 176.870 0.179 0.000 1.083 211 L CA 0.173 55.204 54.840 0.318 0.000 0.790 211 L CB -0.189 42.091 42.059 0.368 0.000 0.942 211 L HN 0.043 nan 8.230 nan 0.000 0.452 212 S N 0.366 116.076 115.700 0.016 0.000 2.465 212 S HA 0.124 4.594 4.470 -0.000 0.000 0.280 212 S C -1.547 172.928 174.600 -0.208 0.000 1.232 212 S CA -1.336 56.670 58.200 -0.322 0.000 1.066 212 S CB 0.899 63.441 63.200 -1.096 0.000 0.929 212 S HN -0.081 nan 8.310 nan 0.000 0.494 213 P HA -0.037 nan 4.420 nan 0.000 0.218 213 P C 1.297 178.511 177.300 -0.143 0.000 1.146 213 P CA 0.949 63.979 63.100 -0.117 0.000 0.813 213 P CB -0.034 31.607 31.700 -0.099 0.000 0.778 214 G N -1.697 106.963 108.800 -0.233 0.000 2.650 214 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 214 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 214 G C 1.339 176.163 174.900 -0.126 0.000 1.136 214 G CA 0.379 45.364 45.100 -0.192 0.000 0.789 214 G HN 0.218 nan 8.290 nan 0.000 0.536 215 S N -0.471 115.182 115.700 -0.078 0.000 2.514 215 S HA 0.131 4.601 4.470 -0.000 0.000 0.223 215 S C 2.173 176.880 174.600 0.179 0.000 1.046 215 S CA -0.452 57.813 58.200 0.109 0.000 0.914 215 S CB 0.245 63.645 63.200 0.334 0.000 0.807 215 S HN 0.314 nan 8.310 nan 0.000 0.497 216 R N 2.105 122.639 120.500 0.055 0.000 2.134 216 R HA -0.144 4.196 4.340 -0.000 0.000 0.248 216 R C 0.784 176.870 176.300 -0.357 0.000 1.143 216 R CA 1.825 57.833 56.100 -0.154 0.000 0.957 216 R CB -0.515 29.726 30.300 -0.098 0.000 0.867 216 R HN 0.354 nan 8.270 nan 0.000 0.441 217 D N 0.364 120.642 120.400 -0.202 0.000 2.363 217 D HA -0.023 4.617 4.640 -0.000 0.000 0.226 217 D C 1.248 177.444 176.300 -0.173 0.000 1.020 217 D CA 0.644 54.525 54.000 -0.197 0.000 0.892 217 D CB 0.173 40.883 40.800 -0.150 0.000 0.900 217 D HN 0.290 nan 8.370 nan 0.000 0.531 218 L N -0.025 121.136 121.223 -0.102 0.000 2.628 218 L HA 0.163 4.503 4.340 -0.000 0.000 0.229 218 L C -0.113 176.893 176.870 0.228 0.000 1.137 218 L CA -0.076 54.781 54.840 0.027 0.000 0.909 218 L CB -0.170 41.917 42.059 0.047 0.000 1.137 218 L HN -0.075 nan 8.230 nan 0.000 0.470 219 F N -4.514 115.438 119.950 0.004 0.000 2.693 219 F HA 0.545 5.072 4.527 -0.000 0.000 0.309 219 F C 0.306 176.125 175.800 0.031 0.000 1.129 219 F CA -1.349 56.666 58.000 0.024 0.000 0.948 219 F CB 1.103 40.115 39.000 0.019 0.000 1.315 219 F HN -0.393 nan 8.300 nan 0.000 0.447 220 R N 0.886 121.455 120.500 0.114 0.000 2.074 220 R HA 0.467 4.806 4.340 -0.000 0.000 0.218 220 R C 0.007 176.358 176.300 0.085 0.000 1.137 220 R CA 1.168 57.274 56.100 0.011 0.000 0.998 220 R CB 0.225 30.530 30.300 0.008 0.000 0.895 220 R HN 0.809 nan 8.270 nan 0.000 0.442 221 R N -1.568 119.069 120.500 0.227 0.000 2.905 221 R HA 0.764 5.104 4.340 -0.000 0.000 0.260 221 R C -1.486 175.053 176.300 0.398 0.000 1.086 221 R CA -0.722 55.529 56.100 0.252 0.000 0.978 221 R CB 2.163 32.447 30.300 -0.027 0.000 1.215 221 R HN 0.205 nan 8.270 nan 0.000 0.480 222 A N 1.136 124.185 122.820 0.382 0.000 2.520 222 A HA 0.659 4.979 4.320 -0.000 0.000 0.298 222 A C -1.216 176.472 177.584 0.173 0.000 1.051 222 A CA -0.609 51.575 52.037 0.246 0.000 0.690 222 A CB 1.233 20.333 19.000 0.166 0.000 1.281 222 A HN 0.559 nan 8.150 nan 0.000 0.402 223 I N 2.032 122.665 120.570 0.106 0.000 2.436 223 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 223 I C -1.407 174.752 176.117 0.070 0.000 1.010 223 I CA -0.632 60.657 61.300 -0.018 0.000 1.098 223 I CB 1.811 39.767 38.000 -0.074 0.000 1.266 223 I HN 0.445 nan 8.210 nan 0.000 0.434 224 L N 6.794 128.025 121.223 0.014 0.000 2.319 224 L HA 0.433 4.773 4.340 -0.000 0.000 0.281 224 L C -0.440 176.499 176.870 0.115 0.000 1.005 224 L CA -0.264 54.589 54.840 0.022 0.000 0.828 224 L CB 1.432 43.431 42.059 -0.101 0.000 1.227 224 L HN 0.490 nan 8.230 nan 0.000 0.415 225 Q N 1.995 121.921 119.800 0.209 0.000 2.372 225 Q HA 0.468 4.808 4.340 -0.000 0.000 0.259 225 Q C -0.039 176.081 176.000 0.200 0.000 0.993 225 Q CA -0.573 55.422 55.803 0.321 0.000 0.854 225 Q CB 1.442 30.473 28.738 0.488 0.000 1.231 225 Q HN 0.647 nan 8.270 nan 0.000 0.462 226 S N 1.093 116.898 115.700 0.174 0.000 3.631 226 S HA -0.152 4.318 4.470 -0.000 0.000 0.366 226 S C 0.029 174.778 174.600 0.249 0.000 0.993 226 S CA 0.559 58.887 58.200 0.213 0.000 1.167 226 S CB -1.183 62.177 63.200 0.266 0.000 0.909 226 S HN 0.995 nan 8.310 nan 0.000 0.478 227 G N -0.286 108.594 108.800 0.133 0.000 2.633 227 G HA2 0.592 4.552 3.960 -0.000 0.000 0.299 227 G HA3 0.592 4.552 3.960 -0.000 0.000 0.299 227 G C -0.974 173.863 174.900 -0.105 0.000 1.501 227 G CA 0.112 45.288 45.100 0.128 0.000 0.887 227 G HN 1.126 nan 8.290 nan 0.000 0.561 228 S N 1.457 117.018 115.700 -0.233 0.000 2.579 228 S HA 0.789 5.259 4.470 -0.000 0.000 0.272 228 S C -2.019 172.290 174.600 -0.485 0.000 1.141 228 S CA -1.107 56.809 58.200 -0.474 0.000 0.843 228 S CB 3.029 65.929 63.200 -0.500 0.000 1.122 228 S HN 0.439 nan 8.310 nan 0.000 0.468 229 P HA -0.163 nan 4.420 nan 0.000 0.218 229 P C 0.709 177.783 177.300 -0.376 0.000 1.148 229 P CA 1.462 64.337 63.100 -0.376 0.000 0.822 229 P CB -0.291 31.241 31.700 -0.280 0.000 0.784 230 N N -0.705 117.805 118.700 -0.315 0.000 2.461 230 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 230 N C 0.169 175.454 175.510 -0.374 0.000 1.134 230 N CA -0.087 52.812 53.050 -0.252 0.000 0.878 230 N CB -1.324 37.142 38.487 -0.036 0.000 0.972 230 N HN 0.053 nan 8.380 nan 0.000 0.456 231 C N 3.034 121.990 119.300 -0.572 0.000 2.634 231 C HA 0.054 4.514 4.460 -0.000 0.000 0.417 231 C C -0.094 174.406 174.990 -0.817 0.000 1.334 231 C CA -0.903 57.623 59.018 -0.820 0.000 1.829 231 C CB 0.981 27.863 27.740 -1.430 0.000 2.665 231 C HN 0.368 nan 8.230 nan 0.000 0.614 232 P HA -0.122 nan 4.420 nan 0.000 0.219 232 P C 1.206 178.288 177.300 -0.364 0.000 1.146 232 P CA 1.901 64.710 63.100 -0.485 0.000 0.808 232 P CB -0.090 31.313 31.700 -0.495 0.000 0.779 233 W N -1.279 119.878 121.300 -0.240 0.000 3.211 233 W HA 0.553 5.213 4.660 -0.000 0.000 0.292 233 W C 1.188 177.748 176.519 0.069 0.000 1.268 233 W CA 0.334 57.620 57.345 -0.099 0.000 1.702 233 W CB -1.068 28.359 29.460 -0.055 0.000 1.092 233 W HN -0.117 nan 8.180 nan 0.000 0.643 234 A N 1.392 123.884 122.820 -0.548 0.000 2.208 234 A HA 0.195 4.515 4.320 -0.000 0.000 0.209 234 A C 0.976 178.401 177.584 -0.265 0.000 1.161 234 A CA 1.106 52.953 52.037 -0.318 0.000 0.782 234 A CB -0.546 18.015 19.000 -0.732 0.000 0.816 234 A HN 0.238 nan 8.150 nan 0.000 0.477 235 S N -1.882 113.654 115.700 -0.274 0.000 2.587 235 S HA 0.625 5.095 4.470 -0.000 0.000 0.269 235 S C -0.857 173.615 174.600 -0.214 0.000 1.154 235 S CA -0.076 57.951 58.200 -0.288 0.000 0.824 235 S CB 1.185 64.155 63.200 -0.382 0.000 1.118 235 S HN 1.363 nan 8.310 nan 0.000 0.462 236 V N -0.934 118.870 119.914 -0.184 0.000 3.159 236 V HA 0.943 5.063 4.120 -0.000 0.000 0.308 236 V C 0.143 176.161 176.094 -0.127 0.000 1.190 236 V CA -0.425 61.791 62.300 -0.141 0.000 1.037 236 V CB 1.137 32.892 31.823 -0.113 0.000 1.060 236 V HN 1.586 nan 8.190 nan 0.000 0.437 237 S N 0.708 116.344 115.700 -0.107 0.000 2.603 237 S HA 0.348 4.818 4.470 -0.000 0.000 0.268 237 S C 1.327 175.877 174.600 -0.084 0.000 1.317 237 S CA 0.010 58.152 58.200 -0.096 0.000 1.012 237 S CB 1.268 64.421 63.200 -0.077 0.000 0.926 237 S HN 2.152 nan 8.310 nan 0.000 0.539 238 V N -0.550 119.302 119.914 -0.103 0.000 2.392 238 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 238 V C 2.568 178.641 176.094 -0.036 0.000 1.059 238 V CA 1.842 64.084 62.300 -0.096 0.000 1.051 238 V CB -2.056 29.634 31.823 -0.221 0.000 0.658 238 V HN 1.020 nan 8.190 nan 0.000 0.455 239 A N 0.673 123.470 122.820 -0.038 0.000 1.877 239 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 239 A C 2.225 179.791 177.584 -0.031 0.000 1.186 239 A CA 2.074 54.098 52.037 -0.021 0.000 0.620 239 A CB -0.704 18.283 19.000 -0.022 0.000 0.822 239 A HN 0.657 nan 8.150 nan 0.000 0.443 240 E N 0.115 120.286 120.200 -0.048 0.000 2.106 240 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 240 E C 1.938 178.502 176.600 -0.061 0.000 0.984 240 E CA 1.532 57.892 56.400 -0.066 0.000 0.806 240 E CB -0.803 28.848 29.700 -0.083 0.000 0.750 240 E HN 0.393 nan 8.360 nan 0.000 0.458 241 G N 0.647 109.424 108.800 -0.039 0.000 2.418 241 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 241 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 241 G C 1.751 176.663 174.900 0.020 0.000 1.158 241 G CA 0.839 45.938 45.100 -0.002 0.000 0.771 241 G HN 0.325 nan 8.290 nan 0.000 0.545 242 R N 0.150 120.657 120.500 0.011 0.000 2.066 242 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 242 R C 2.561 178.860 176.300 -0.001 0.000 1.131 242 R CA 1.093 57.201 56.100 0.013 0.000 0.955 242 R CB -0.392 29.920 30.300 0.020 0.000 0.851 242 R HN 0.234 nan 8.270 nan 0.000 0.432 243 R N 0.754 121.243 120.500 -0.018 0.000 2.096 243 R HA -0.163 4.177 4.340 -0.000 0.000 0.240 243 R C 2.209 178.486 176.300 -0.037 0.000 1.139 243 R CA 2.037 58.117 56.100 -0.033 0.000 0.952 243 R CB -0.187 30.081 30.300 -0.054 0.000 0.854 243 R HN 0.316 nan 8.270 nan 0.000 0.436 244 R N -0.354 120.116 120.500 -0.051 0.000 2.075 244 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 244 R C 2.374 178.710 176.300 0.061 0.000 1.126 244 R CA 1.228 57.289 56.100 -0.066 0.000 0.963 244 R CB -0.352 29.829 30.300 -0.198 0.000 0.858 244 R HN 0.259 nan 8.270 nan 0.000 0.435 245 A N 0.848 123.730 122.820 0.103 0.000 1.883 245 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 245 A C 2.357 179.951 177.584 0.017 0.000 1.186 245 A CA 1.497 53.586 52.037 0.087 0.000 0.624 245 A CB -0.588 18.414 19.000 0.004 0.000 0.822 245 A HN 0.120 nan 8.150 nan 0.000 0.444 246 V N -0.043 119.874 119.914 0.004 0.000 2.427 246 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 246 V C 2.546 178.642 176.094 0.004 0.000 1.051 246 V CA 2.307 64.605 62.300 -0.004 0.000 1.048 246 V CB -0.645 31.174 31.823 -0.006 0.000 0.666 246 V HN 0.702 nan 8.190 nan 0.000 0.456 247 E N 0.229 120.432 120.200 0.006 0.000 2.150 247 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 247 E C 1.879 178.496 176.600 0.028 0.000 0.985 247 E CA 0.943 57.346 56.400 0.005 0.000 0.814 247 E CB -0.310 29.379 29.700 -0.020 0.000 0.752 247 E HN 0.454 nan 8.360 nan 0.000 0.466 248 L N -0.483 120.775 121.223 0.058 0.000 2.093 248 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 248 L C 2.078 178.966 176.870 0.031 0.000 1.085 248 L CA 2.111 56.996 54.840 0.075 0.000 0.755 248 L CB -0.848 41.280 42.059 0.114 0.000 0.904 248 L HN 0.229 nan 8.230 nan 0.000 0.435 249 G N -1.044 107.763 108.800 0.011 0.000 2.404 249 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 249 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 249 G C 1.798 176.710 174.900 0.019 0.000 1.174 249 G CA 0.641 45.746 45.100 0.008 0.000 0.780 249 G HN 0.359 nan 8.290 nan 0.000 0.537 250 R N 0.356 120.866 120.500 0.017 0.000 2.127 250 R HA -0.047 4.293 4.340 -0.000 0.000 0.238 250 R C 2.152 178.467 176.300 0.025 0.000 1.134 250 R CA 1.230 57.341 56.100 0.018 0.000 0.975 250 R CB -0.250 30.058 30.300 0.013 0.000 0.865 250 R HN 0.279 nan 8.270 nan 0.000 0.447 251 N N 0.268 118.986 118.700 0.030 0.000 2.459 251 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 251 N C 0.903 176.438 175.510 0.042 0.000 1.046 251 N CA 0.843 53.916 53.050 0.039 0.000 0.904 251 N CB 0.226 38.742 38.487 0.049 0.000 0.964 251 N HN 0.296 nan 8.380 nan 0.000 0.444 252 L N 0.180 121.425 121.223 0.038 0.000 2.857 252 L HA 0.228 4.568 4.340 -0.000 0.000 0.249 252 L C -0.191 176.701 176.870 0.036 0.000 1.172 252 L CA -0.156 54.707 54.840 0.039 0.000 0.980 252 L CB 0.008 42.090 42.059 0.038 0.000 1.299 252 L HN -0.051 nan 8.230 nan 0.000 0.535 253 N N -0.342 118.377 118.700 0.032 0.000 2.758 253 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 253 N C -0.134 175.395 175.510 0.032 0.000 1.076 253 N CA 0.486 53.554 53.050 0.030 0.000 0.696 253 N CB -1.790 36.715 38.487 0.030 0.000 0.979 253 N HN 0.290 nan 8.380 nan 0.000 0.550 254 c N 0.938 119.557 118.600 0.031 0.000 2.520 254 c HA 0.230 4.800 4.570 -0.000 0.000 0.376 254 c C 1.370 175.479 174.090 0.032 0.000 1.268 254 c CA -0.897 55.454 56.329 0.036 0.000 2.414 254 c CB 0.901 43.431 42.510 0.033 0.000 2.521 254 c HN 0.374 nan 8.230 nan 0.000 0.618 255 N N 1.969 120.693 118.700 0.039 0.000 2.431 255 N HA 0.106 4.846 4.740 -0.000 0.000 0.265 255 N C 0.235 175.760 175.510 0.024 0.000 1.184 255 N CA 0.194 53.261 53.050 0.030 0.000 0.943 255 N CB 0.453 38.959 38.487 0.032 0.000 1.080 255 N HN 0.609 nan 8.380 nan 0.000 0.477 256 L N 2.812 124.045 121.223 0.016 0.000 2.607 256 L HA 0.130 4.470 4.340 -0.000 0.000 0.228 256 L C 1.480 178.354 176.870 0.008 0.000 1.123 256 L CA -0.231 54.615 54.840 0.011 0.000 0.890 256 L CB -0.198 41.865 42.059 0.008 0.000 1.103 256 L HN 0.431 nan 8.230 nan 0.000 0.468 257 N N 0.793 119.498 118.700 0.008 0.000 2.258 257 N HA -0.113 4.627 4.740 -0.000 0.000 0.187 257 N C 0.745 176.257 175.510 0.003 0.000 1.012 257 N CA 1.258 54.311 53.050 0.005 0.000 0.870 257 N CB 0.030 38.519 38.487 0.003 0.000 0.977 257 N HN 0.505 nan 8.380 nan 0.000 0.434 258 S N -1.845 113.858 115.700 0.005 0.000 2.587 258 S HA 0.286 4.756 4.470 -0.000 0.000 0.269 258 S C -0.159 174.445 174.600 0.007 0.000 1.154 258 S CA -0.902 57.301 58.200 0.004 0.000 0.824 258 S CB 1.510 64.712 63.200 0.002 0.000 1.118 258 S HN -0.231 nan 8.310 nan 0.000 0.462 259 D N 1.128 121.530 120.400 0.004 0.000 2.117 259 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 259 D C 1.500 177.811 176.300 0.019 0.000 0.987 259 D CA 1.785 55.786 54.000 0.002 0.000 0.829 259 D CB -0.238 40.560 40.800 -0.004 0.000 0.961 259 D HN 0.699 nan 8.370 nan 0.000 0.460 260 E N 0.978 121.193 120.200 0.025 0.000 2.085 260 E HA -0.156 4.193 4.350 -0.000 0.000 0.194 260 E C 2.033 178.679 176.600 0.076 0.000 0.994 260 E CA 0.997 57.425 56.400 0.045 0.000 0.801 260 E CB -0.182 29.533 29.700 0.025 0.000 0.743 260 E HN 0.456 nan 8.360 nan 0.000 0.453 261 E N -0.067 120.162 120.200 0.049 0.000 2.107 261 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 261 E C 1.992 178.651 176.600 0.098 0.000 0.982 261 E CA 0.519 56.957 56.400 0.064 0.000 0.809 261 E CB -0.087 29.625 29.700 0.021 0.000 0.756 261 E HN 0.104 nan 8.360 nan 0.000 0.459 262 L N 1.401 122.657 121.223 0.056 0.000 1.994 262 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 262 L C 2.041 178.938 176.870 0.045 0.000 1.071 262 L CA 1.620 56.481 54.840 0.036 0.000 0.745 262 L CB -0.382 41.676 42.059 -0.002 0.000 0.892 262 L HN 0.084 nan 8.230 nan 0.000 0.431 263 I N -0.696 119.903 120.570 0.048 0.000 2.226 263 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 263 I C 2.646 178.847 176.117 0.141 0.000 1.100 263 I CA 1.581 62.929 61.300 0.079 0.000 1.374 263 I CB -0.784 37.267 38.000 0.085 0.000 1.057 263 I HN 0.499 nan 8.210 nan 0.000 0.413 264 H N 0.628 119.735 119.070 0.062 0.000 2.352 264 H HA -0.265 4.291 4.556 -0.000 0.000 0.299 264 H C 2.440 177.802 175.328 0.058 0.000 1.097 264 H CA 2.273 58.355 56.048 0.057 0.000 1.311 264 H CB -0.204 29.579 29.762 0.036 0.000 1.377 264 H HN 0.489 nan 8.280 nan 0.000 0.504 265 c N 0.768 119.448 118.600 0.133 0.000 2.429 265 c HA -0.061 4.509 4.570 -0.000 0.000 0.277 265 c C 3.053 177.158 174.090 0.026 0.000 1.262 265 c CA 0.704 57.082 56.329 0.082 0.000 1.733 265 c CB -1.377 41.194 42.510 0.101 0.000 2.010 265 c HN 0.564 nan 8.230 nan 0.000 0.483 266 L N 0.156 121.418 121.223 0.066 0.000 2.275 266 L HA -0.030 4.310 4.340 -0.000 0.000 0.215 266 L C 2.853 179.802 176.870 0.131 0.000 1.119 266 L CA 1.149 56.062 54.840 0.121 0.000 0.790 266 L CB -0.609 41.546 42.059 0.160 0.000 0.919 266 L HN 0.343 nan 8.230 nan 0.000 0.443 267 R N -0.405 120.129 120.500 0.056 0.000 2.236 267 R HA -0.047 4.293 4.340 -0.000 0.000 0.208 267 R C 1.674 177.909 176.300 -0.109 0.000 1.036 267 R CA 0.406 56.465 56.100 -0.069 0.000 1.001 267 R CB 0.098 30.342 30.300 -0.094 0.000 0.896 267 R HN 0.311 nan 8.270 nan 0.000 0.464 268 E N 0.649 120.778 120.200 -0.118 0.000 2.385 268 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 268 E C 0.106 176.689 176.600 -0.029 0.000 1.013 268 E CA 0.536 56.878 56.400 -0.096 0.000 0.866 268 E CB 0.306 29.941 29.700 -0.109 0.000 0.832 268 E HN 0.081 nan 8.360 nan 0.000 0.500 269 K N 1.583 121.980 120.400 -0.004 0.000 2.202 269 K HA 0.197 4.517 4.320 -0.000 0.000 0.264 269 K C 0.437 177.064 176.600 0.045 0.000 1.010 269 K CA -0.134 56.169 56.287 0.027 0.000 0.940 269 K CB 0.953 33.478 32.500 0.041 0.000 0.983 269 K HN -0.116 nan 8.250 nan 0.000 0.475 270 K N 2.170 122.605 120.400 0.059 0.000 2.237 270 K HA 0.056 4.376 4.320 -0.000 0.000 0.270 270 K C -1.616 175.070 176.600 0.143 0.000 1.015 270 K CA -1.601 54.731 56.287 0.076 0.000 0.949 270 K CB 0.373 32.909 32.500 0.060 0.000 0.976 270 K HN 0.170 nan 8.250 nan 0.000 0.472 271 P HA -0.255 nan 4.420 nan 0.000 0.217 271 P C 1.070 178.579 177.300 0.347 0.000 1.162 271 P CA 1.343 64.669 63.100 0.376 0.000 0.901 271 P CB 0.246 31.990 31.700 0.073 0.000 0.793 272 Q N -0.135 119.778 119.800 0.189 0.000 2.297 272 Q HA -0.190 4.150 4.340 -0.000 0.000 0.208 272 Q C 1.863 177.961 176.000 0.164 0.000 0.981 272 Q CA 1.588 57.491 55.803 0.168 0.000 0.876 272 Q CB -0.790 28.013 28.738 0.108 0.000 0.921 272 Q HN 0.380 nan 8.270 nan 0.000 0.446 273 E N -1.059 119.226 120.200 0.143 0.000 2.107 273 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 273 E C 1.561 178.231 176.600 0.116 0.000 0.982 273 E CA 0.725 57.193 56.400 0.114 0.000 0.809 273 E CB 0.031 29.782 29.700 0.086 0.000 0.756 273 E HN 0.234 nan 8.360 nan 0.000 0.459 274 L N 0.864 122.158 121.223 0.119 0.000 2.005 274 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 274 L C 2.257 179.198 176.870 0.119 0.000 1.072 274 L CA 1.483 56.355 54.840 0.054 0.000 0.744 274 L CB -0.601 41.388 42.059 -0.117 0.000 0.895 274 L HN 0.151 nan 8.230 nan 0.000 0.433 275 I N -0.486 120.214 120.570 0.218 0.000 2.264 275 I HA -0.311 3.858 4.170 -0.000 0.000 0.248 275 I C 1.909 178.193 176.117 0.278 0.000 1.111 275 I CA 1.155 62.624 61.300 0.280 0.000 1.382 275 I CB -0.512 37.696 38.000 0.346 0.000 1.060 275 I HN 0.278 nan 8.210 nan 0.000 0.418 276 D N 0.486 121.025 120.400 0.232 0.000 2.218 276 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 276 D C 1.932 178.364 176.300 0.220 0.000 0.976 276 D CA 1.505 55.642 54.000 0.228 0.000 0.853 276 D CB 0.074 40.974 40.800 0.166 0.000 0.939 276 D HN 0.417 nan 8.370 nan 0.000 0.481 277 V N -2.648 117.373 119.914 0.177 0.000 3.528 277 V HA 0.200 4.320 4.120 -0.000 0.000 0.294 277 V C 1.765 177.940 176.094 0.136 0.000 1.404 277 V CA -0.094 62.299 62.300 0.154 0.000 1.065 277 V CB 0.398 32.288 31.823 0.111 0.000 0.904 277 V HN -0.089 nan 8.190 nan 0.000 0.435 278 E N 0.971 121.240 120.200 0.114 0.000 2.108 278 E HA -0.285 4.065 4.350 -0.000 0.000 0.203 278 E C 1.525 178.007 176.600 -0.197 0.000 1.022 278 E CA 2.853 59.243 56.400 -0.015 0.000 0.823 278 E CB -0.214 29.384 29.700 -0.170 0.000 0.744 278 E HN 0.841 nan 8.360 nan 0.000 0.456 279 W N 0.699 122.002 121.300 0.005 0.000 2.699 279 W HA 0.012 4.672 4.660 -0.000 0.000 0.249 279 W C 1.756 178.242 176.519 -0.056 0.000 1.280 279 W CA 0.033 57.337 57.345 -0.069 0.000 1.345 279 W CB -0.089 29.305 29.460 -0.110 0.000 1.128 279 W HN 0.097 nan 8.180 nan 0.000 0.642 280 N N 0.295 119.079 118.700 0.139 0.000 2.396 280 N HA -0.115 4.625 4.740 -0.000 0.000 0.180 280 N C 1.867 177.382 175.510 0.008 0.000 1.028 280 N CA 1.592 54.690 53.050 0.079 0.000 0.893 280 N CB -0.761 37.773 38.487 0.077 0.000 0.967 280 N HN 0.258 nan 8.380 nan 0.000 0.440 281 V N -1.558 118.329 119.914 -0.045 0.000 3.461 281 V HA 0.155 4.275 4.120 -0.000 0.000 0.267 281 V C 0.889 176.883 176.094 -0.168 0.000 1.186 281 V CA 0.113 62.348 62.300 -0.110 0.000 1.154 281 V CB -0.808 30.923 31.823 -0.153 0.000 0.802 281 V HN 0.028 nan 8.190 nan 0.000 0.474 282 L N 1.153 122.293 121.223 -0.138 0.000 2.485 282 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 282 L C -0.598 176.139 176.870 -0.222 0.000 1.207 282 L CA -0.934 53.812 54.840 -0.157 0.000 0.855 282 L CB 0.453 42.483 42.059 -0.048 0.000 1.114 282 L HN 0.131 nan 8.230 nan 0.000 0.485 283 P HA -0.101 nan 4.420 nan 0.000 0.215 283 P C -0.635 176.161 177.300 -0.840 0.000 1.157 283 P CA 1.416 64.033 63.100 -0.804 0.000 0.868 283 P CB 0.245 31.163 31.700 -1.303 0.000 0.788 284 F N -2.863 117.090 119.950 0.005 0.000 2.675 284 F HA 0.391 4.918 4.527 -0.000 0.000 0.324 284 F C 0.044 175.854 175.800 0.016 0.000 1.106 284 F CA -1.556 56.452 58.000 0.013 0.000 0.970 284 F CB -0.014 38.999 39.000 0.020 0.000 1.385 284 F HN -0.464 nan 8.300 nan 0.000 0.489 285 D N 1.146 121.688 120.400 0.236 0.000 2.390 285 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 285 D C -0.226 176.158 176.300 0.140 0.000 1.144 285 D CA 0.469 54.548 54.000 0.132 0.000 0.880 285 D CB 1.043 41.897 40.800 0.089 0.000 1.182 285 D HN 0.710 nan 8.370 nan 0.000 0.451 286 S N 0.663 116.423 115.700 0.100 0.000 2.655 286 S HA 0.723 5.193 4.470 -0.000 0.000 0.266 286 S C -0.807 173.823 174.600 0.050 0.000 1.149 286 S CA -1.048 57.205 58.200 0.089 0.000 0.818 286 S CB 0.747 64.030 63.200 0.138 0.000 1.130 286 S HN 0.465 nan 8.310 nan 0.000 0.476 287 I N -3.220 117.380 120.570 0.050 0.000 2.769 287 I HA 0.818 4.988 4.170 -0.000 0.000 0.298 287 I C -0.487 175.657 176.117 0.046 0.000 1.128 287 I CA -1.057 60.275 61.300 0.053 0.000 1.031 287 I CB 1.603 39.654 38.000 0.086 0.000 1.235 287 I HN 0.821 nan 8.210 nan 0.000 0.423 288 F N 2.396 122.220 119.950 -0.210 0.000 3.080 288 F HA -0.169 4.358 4.527 -0.000 0.000 0.292 288 F C -0.453 174.840 175.800 -0.846 0.000 0.891 288 F CA 0.583 58.221 58.000 -0.603 0.000 1.086 288 F CB -0.588 38.003 39.000 -0.681 0.000 1.095 288 F HN 0.644 nan 8.300 nan 0.000 0.633 289 R N 0.623 120.682 120.500 -0.735 0.000 2.574 289 R HA 0.598 4.938 4.340 -0.000 0.000 0.288 289 R C -1.070 174.805 176.300 -0.708 0.000 1.004 289 R CA -0.519 55.216 56.100 -0.608 0.000 0.895 289 R CB 1.331 31.548 30.300 -0.139 0.000 1.191 289 R HN -0.011 nan 8.270 nan 0.000 0.444 290 F N -0.459 119.593 119.950 0.169 0.000 2.551 290 F HA 0.365 4.892 4.527 -0.000 0.000 0.316 290 F C 1.584 177.299 175.800 -0.141 0.000 1.089 290 F CA -0.867 57.148 58.000 0.026 0.000 0.915 290 F CB 1.757 40.872 39.000 0.193 0.000 1.186 290 F HN 0.353 nan 8.300 nan 0.000 0.456 291 S N 0.890 116.448 115.700 -0.237 0.000 2.351 291 S HA -0.100 4.370 4.470 -0.000 0.000 0.220 291 S C 0.142 174.307 174.600 -0.724 0.000 1.035 291 S CA 1.345 59.194 58.200 -0.586 0.000 1.031 291 S CB -0.286 62.384 63.200 -0.882 0.000 0.928 291 S HN 0.354 nan 8.310 nan 0.000 0.433 292 F N 1.688 121.654 119.950 0.026 0.000 2.347 292 F HA 0.558 5.084 4.527 -0.000 0.000 0.366 292 F C 0.080 175.912 175.800 0.053 0.000 1.107 292 F CA -1.006 57.044 58.000 0.082 0.000 1.058 292 F CB 1.019 40.104 39.000 0.142 0.000 1.236 292 F HN -0.062 nan 8.300 nan 0.000 0.456 293 V N 0.868 120.776 119.914 -0.011 0.000 3.158 293 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 293 V C -2.879 172.898 176.094 -0.528 0.000 1.181 293 V CA -3.345 58.647 62.300 -0.515 0.000 1.054 293 V CB 1.987 33.666 31.823 -0.240 0.000 1.085 293 V HN 0.256 nan 8.190 nan 0.000 0.446 294 P HA 0.226 nan 4.420 nan 0.000 0.267 294 P C -0.635 176.565 177.300 -0.166 0.000 1.195 294 P CA 0.367 63.243 63.100 -0.373 0.000 0.773 294 P CB 0.370 31.791 31.700 -0.465 0.000 0.837 295 V N 0.416 120.327 119.914 -0.004 0.000 2.680 295 V HA 0.435 4.555 4.120 -0.000 0.000 0.309 295 V C -0.083 176.042 176.094 0.052 0.000 1.052 295 V CA -0.858 61.432 62.300 -0.018 0.000 0.908 295 V CB 1.919 33.749 31.823 0.012 0.000 1.001 295 V HN 0.208 nan 8.190 nan 0.000 0.431 296 I N 4.905 125.438 120.570 -0.061 0.000 2.349 296 I HA 0.163 4.333 4.170 -0.000 0.000 0.302 296 I C 1.023 177.139 176.117 -0.002 0.000 1.180 296 I CA 0.245 61.531 61.300 -0.022 0.000 1.405 296 I CB -0.281 37.638 38.000 -0.136 0.000 1.474 296 I HN 0.971 nan 8.210 nan 0.000 0.632 297 D N 3.198 123.661 120.400 0.104 0.000 2.348 297 D HA 0.007 4.647 4.640 -0.000 0.000 0.211 297 D C 1.462 177.786 176.300 0.041 0.000 0.998 297 D CA 0.842 54.831 54.000 -0.018 0.000 0.873 297 D CB 0.339 41.218 40.800 0.132 0.000 0.925 297 D HN 0.628 nan 8.370 nan 0.000 0.524 298 G N 0.598 109.471 108.800 0.120 0.000 2.179 298 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 298 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 298 G C 0.690 175.668 174.900 0.129 0.000 0.977 298 G CA 0.715 45.884 45.100 0.116 0.000 0.641 298 G HN 0.555 nan 8.290 nan 0.000 0.533 299 E N -1.260 119.033 120.200 0.155 0.000 2.357 299 E HA 0.356 4.705 4.350 -0.000 0.000 0.190 299 E C 1.907 178.548 176.600 0.068 0.000 1.022 299 E CA -0.042 56.427 56.400 0.114 0.000 1.068 299 E CB -0.103 29.681 29.700 0.139 0.000 1.465 299 E HN 0.278 nan 8.360 nan 0.000 0.503 300 F N 0.612 120.509 119.950 -0.089 0.000 2.161 300 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 300 F C 0.094 175.621 175.800 -0.454 0.000 1.089 300 F CA 1.146 58.959 58.000 -0.311 0.000 1.282 300 F CB 0.231 38.956 39.000 -0.458 0.000 1.010 300 F HN -0.033 nan 8.300 nan 0.000 0.485 301 F N 0.692 120.785 119.950 0.238 0.000 2.366 301 F HA 0.360 4.887 4.527 -0.000 0.000 0.366 301 F C -1.594 174.247 175.800 0.067 0.000 1.096 301 F CA -2.871 55.211 58.000 0.136 0.000 1.060 301 F CB 0.651 39.732 39.000 0.134 0.000 1.282 301 F HN -0.252 nan 8.300 nan 0.000 0.450 302 P HA -0.139 nan 4.420 nan 0.000 0.215 302 P C 0.431 177.793 177.300 0.104 0.000 1.163 302 P CA 1.986 65.149 63.100 0.104 0.000 0.894 302 P CB 0.179 31.918 31.700 0.064 0.000 0.791 303 T N -6.689 107.934 114.554 0.114 0.000 2.654 303 T HA 0.458 4.808 4.350 -0.000 0.000 0.289 303 T C -0.355 174.383 174.700 0.063 0.000 1.062 303 T CA -0.681 61.463 62.100 0.074 0.000 1.041 303 T CB 0.731 69.629 68.868 0.051 0.000 1.417 303 T HN -0.004 nan 8.240 nan 0.000 0.510 304 S N 0.157 115.871 115.700 0.023 0.000 2.558 304 S HA 0.102 4.572 4.470 -0.000 0.000 0.287 304 S C 1.519 176.118 174.600 -0.001 0.000 1.321 304 S CA -0.610 57.581 58.200 -0.014 0.000 1.048 304 S CB -0.438 62.754 63.200 -0.014 0.000 0.844 304 S HN 0.664 nan 8.310 nan 0.000 0.512 305 L N 0.652 121.839 121.223 -0.061 0.000 2.042 305 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 305 L C 2.925 179.825 176.870 0.050 0.000 1.076 305 L CA 1.983 56.804 54.840 -0.032 0.000 0.749 305 L CB -0.786 41.196 42.059 -0.129 0.000 0.893 305 L HN 0.797 nan 8.230 nan 0.000 0.432 306 E N 0.714 120.943 120.200 0.047 0.000 2.051 306 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 306 E C 2.300 178.960 176.600 0.100 0.000 0.991 306 E CA 1.786 58.247 56.400 0.101 0.000 0.799 306 E CB -0.154 29.599 29.700 0.090 0.000 0.748 306 E HN 0.455 nan 8.360 nan 0.000 0.449 307 S N -0.328 115.415 115.700 0.071 0.000 2.400 307 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 307 S C 2.115 176.762 174.600 0.078 0.000 1.025 307 S CA 1.524 59.764 58.200 0.066 0.000 0.993 307 S CB -0.410 62.816 63.200 0.044 0.000 0.808 307 S HN 0.289 nan 8.310 nan 0.000 0.478 308 M N 0.664 120.325 119.600 0.101 0.000 2.200 308 M HA 0.115 4.595 4.480 -0.000 0.000 0.265 308 M C 2.138 178.575 176.300 0.229 0.000 1.066 308 M CA 1.182 56.565 55.300 0.139 0.000 1.127 308 M CB -0.509 32.201 32.600 0.183 0.000 1.379 308 M HN 0.312 nan 8.290 nan 0.000 0.420 309 L N -0.114 121.244 121.223 0.225 0.000 2.156 309 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 309 L C 2.053 179.097 176.870 0.290 0.000 1.095 309 L CA 0.673 55.680 54.840 0.278 0.000 0.770 309 L CB -0.654 41.469 42.059 0.108 0.000 0.914 309 L HN 0.340 nan 8.230 nan 0.000 0.439 310 N N -0.338 118.477 118.700 0.192 0.000 2.270 310 N HA -0.116 4.623 4.740 -0.000 0.000 0.181 310 N C 1.953 177.579 175.510 0.193 0.000 1.016 310 N CA 1.596 54.766 53.050 0.199 0.000 0.870 310 N CB -0.068 38.499 38.487 0.134 0.000 0.979 310 N HN 0.316 nan 8.380 nan 0.000 0.431 311 S N -1.032 114.690 115.700 0.036 0.000 2.548 311 S HA 0.242 4.711 4.470 -0.000 0.000 0.215 311 S C 1.343 175.589 174.600 -0.591 0.000 0.976 311 S CA 0.436 58.567 58.200 -0.116 0.000 0.908 311 S CB 0.192 63.338 63.200 -0.090 0.000 0.781 311 S HN 0.364 nan 8.310 nan 0.000 0.519 312 G N 1.966 110.229 108.800 -0.895 0.000 2.147 312 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 312 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 312 G C -0.050 173.995 174.900 -1.426 0.000 1.005 312 G CA 0.072 43.961 45.100 -2.019 0.000 0.713 312 G HN 0.622 nan 8.290 nan 0.000 0.515 313 N N 0.657 118.977 118.700 -0.634 0.000 2.739 313 N HA 0.515 5.255 4.740 -0.000 0.000 0.266 313 N C -0.143 175.320 175.510 -0.079 0.000 1.168 313 N CA -0.022 52.832 53.050 -0.326 0.000 1.055 313 N CB -0.882 37.542 38.487 -0.106 0.000 1.393 313 N HN 0.814 nan 8.380 nan 0.000 0.514 314 F N -0.976 118.920 119.950 -0.090 0.000 2.829 314 F HA 0.351 4.878 4.527 -0.000 0.000 0.319 314 F C -0.480 175.339 175.800 0.032 0.000 1.153 314 F CA -1.404 56.612 58.000 0.027 0.000 0.912 314 F CB 0.514 39.596 39.000 0.135 0.000 1.292 314 F HN -0.110 nan 8.300 nan 0.000 0.447 315 K N 1.577 122.224 120.400 0.412 0.000 2.484 315 K HA 0.181 4.501 4.320 -0.000 0.000 0.280 315 K C -1.043 175.810 176.600 0.421 0.000 1.013 315 K CA -0.009 56.436 56.287 0.263 0.000 1.029 315 K CB 0.474 33.080 32.500 0.176 0.000 0.902 315 K HN 0.672 nan 8.250 nan 0.000 0.481 316 K N 2.733 123.240 120.400 0.178 0.000 2.292 316 K HA 0.193 4.513 4.320 -0.000 0.000 0.270 316 K C -0.308 176.403 176.600 0.184 0.000 1.062 316 K CA -0.260 56.124 56.287 0.163 0.000 0.916 316 K CB 1.864 34.361 32.500 -0.006 0.000 1.166 316 K HN 0.621 nan 8.250 nan 0.000 0.458 317 T N 1.265 116.017 114.554 0.330 0.000 2.606 317 T HA 0.304 4.654 4.350 -0.000 0.000 0.289 317 T C -1.381 173.521 174.700 0.335 0.000 1.113 317 T CA -0.624 61.625 62.100 0.248 0.000 1.106 317 T CB 0.650 69.634 68.868 0.193 0.000 1.611 317 T HN 0.385 nan 8.240 nan 0.000 0.471 318 Q N 0.997 120.965 119.800 0.280 0.000 2.235 318 Q HA 0.763 5.103 4.340 -0.000 0.000 0.256 318 Q C -0.493 175.805 176.000 0.498 0.000 0.951 318 Q CA -0.497 55.530 55.803 0.373 0.000 0.890 318 Q CB 1.540 30.463 28.738 0.309 0.000 1.279 318 Q HN 0.667 nan 8.270 nan 0.000 0.444 319 I N -1.385 119.432 120.570 0.412 0.000 2.769 319 I HA 0.672 4.842 4.170 -0.000 0.000 0.298 319 I C -1.534 174.478 176.117 -0.175 0.000 1.128 319 I CA -1.362 60.034 61.300 0.159 0.000 1.031 319 I CB 1.885 39.829 38.000 -0.093 0.000 1.235 319 I HN 0.552 nan 8.210 nan 0.000 0.423 320 L N 7.019 127.901 121.223 -0.568 0.000 2.372 320 L HA 0.742 5.081 4.340 -0.000 0.000 0.274 320 L C -1.264 175.399 176.870 -0.346 0.000 0.988 320 L CA -0.487 53.926 54.840 -0.713 0.000 0.833 320 L CB 1.465 42.574 42.059 -1.583 0.000 1.236 320 L HN 0.826 nan 8.230 nan 0.000 0.410 321 L N 2.581 123.718 121.223 -0.144 0.000 2.341 321 L HA 1.149 5.489 4.340 -0.000 0.000 0.254 321 L C -0.546 176.083 176.870 -0.401 0.000 1.040 321 L CA -0.459 54.305 54.840 -0.126 0.000 0.837 321 L CB 2.095 44.087 42.059 -0.112 0.000 1.425 321 L HN 0.628 nan 8.230 nan 0.000 0.414 322 G N -0.282 108.098 108.800 -0.700 0.000 2.342 322 G HA2 0.545 4.505 3.960 -0.000 0.000 0.297 322 G HA3 0.545 4.505 3.960 -0.000 0.000 0.297 322 G C -1.534 173.039 174.900 -0.544 0.000 1.313 322 G CA 0.015 44.405 45.100 -1.183 0.000 0.830 322 G HN 1.428 nan 8.290 nan 0.000 0.506 323 V N -2.625 117.155 119.914 -0.224 0.000 3.167 323 V HA 0.885 5.005 4.120 -0.000 0.000 0.310 323 V C -1.041 175.169 176.094 0.193 0.000 1.207 323 V CA -1.425 60.934 62.300 0.098 0.000 1.059 323 V CB 1.891 33.786 31.823 0.120 0.000 1.079 323 V HN 0.712 nan 8.190 nan 0.000 0.446 324 N N 0.634 119.444 118.700 0.183 0.000 2.472 324 N HA 0.445 5.184 4.740 -0.000 0.000 0.289 324 N C 0.542 175.999 175.510 -0.089 0.000 1.156 324 N CA -0.454 52.672 53.050 0.126 0.000 0.940 324 N CB 1.798 40.459 38.487 0.289 0.000 1.200 324 N HN 0.939 nan 8.380 nan 0.000 0.511 325 K N 0.105 120.338 120.400 -0.279 0.000 2.063 325 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 325 K C -0.572 176.097 176.600 0.115 0.000 1.048 325 K CA 1.395 57.589 56.287 -0.154 0.000 0.928 325 K CB 0.172 32.611 32.500 -0.102 0.000 0.713 325 K HN 0.505 nan 8.250 nan 0.000 0.442 326 D N 1.169 121.639 120.400 0.116 0.000 2.863 326 D HA 0.030 4.670 4.640 -0.000 0.000 0.323 326 D C 0.178 176.587 176.300 0.181 0.000 1.286 326 D CA -0.080 54.012 54.000 0.152 0.000 0.921 326 D CB 1.186 42.057 40.800 0.118 0.000 1.024 326 D HN 0.189 nan 8.370 nan 0.000 0.505 327 E N 0.484 120.808 120.200 0.207 0.000 2.160 327 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 327 E C 1.962 178.725 176.600 0.272 0.000 0.991 327 E CA 0.748 57.300 56.400 0.253 0.000 0.810 327 E CB 0.071 29.890 29.700 0.199 0.000 0.742 327 E HN 0.427 nan 8.360 nan 0.000 0.466 328 G N 1.008 109.942 108.800 0.223 0.000 2.623 328 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.214 328 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.214 328 G C 1.722 176.781 174.900 0.265 0.000 1.138 328 G CA 0.793 46.048 45.100 0.257 0.000 0.794 328 G HN 0.363 nan 8.290 nan 0.000 0.535 329 S N 0.822 116.637 115.700 0.192 0.000 2.370 329 S HA -0.196 4.273 4.470 -0.000 0.000 0.226 329 S C 2.088 176.692 174.600 0.007 0.000 1.033 329 S CA 1.280 59.547 58.200 0.110 0.000 1.011 329 S CB -0.638 62.550 63.200 -0.020 0.000 0.852 329 S HN 0.297 nan 8.310 nan 0.000 0.457 330 F N 2.265 122.093 119.950 -0.203 0.000 2.120 330 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 330 F C 1.677 177.249 175.800 -0.380 0.000 1.095 330 F CA 1.352 59.089 58.000 -0.438 0.000 1.249 330 F CB -0.505 38.089 39.000 -0.677 0.000 0.995 330 F HN 0.178 nan 8.300 nan 0.000 0.480 331 F N -0.202 119.791 119.950 0.072 0.000 2.367 331 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 331 F C 2.087 177.843 175.800 -0.072 0.000 1.094 331 F CA 0.683 58.663 58.000 -0.033 0.000 1.409 331 F CB -0.848 38.067 39.000 -0.142 0.000 1.064 331 F HN -0.053 nan 8.300 nan 0.000 0.528 332 L N -0.672 120.545 121.223 -0.011 0.000 2.109 332 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 332 L C 2.432 179.142 176.870 -0.267 0.000 1.086 332 L CA 0.517 55.135 54.840 -0.369 0.000 0.760 332 L CB -0.563 40.904 42.059 -0.987 0.000 0.910 332 L HN 0.167 nan 8.230 nan 0.000 0.437 333 L N -1.041 120.169 121.223 -0.022 0.000 2.079 333 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 333 L C 2.255 179.163 176.870 0.062 0.000 1.081 333 L CA 1.997 56.947 54.840 0.183 0.000 0.752 333 L CB -0.546 41.614 42.059 0.168 0.000 0.896 333 L HN 0.120 nan 8.230 nan 0.000 0.433 334 Y N -0.918 119.314 120.300 -0.114 0.000 2.365 334 Y HA 0.211 4.761 4.550 -0.000 0.000 0.293 334 Y C 2.292 178.147 175.900 -0.075 0.000 1.119 334 Y CA 1.061 59.091 58.100 -0.117 0.000 1.203 334 Y CB -0.262 38.069 38.460 -0.215 0.000 1.026 334 Y HN 0.232 nan 8.280 nan 0.000 0.549 335 G N -1.505 107.354 108.800 0.098 0.000 3.528 335 G HA2 0.488 4.448 3.960 -0.000 0.000 0.266 335 G HA3 0.488 4.448 3.960 -0.000 0.000 0.266 335 G C -0.280 174.660 174.900 0.068 0.000 1.004 335 G CA 0.367 45.499 45.100 0.054 0.000 0.853 335 G HN 0.263 nan 8.290 nan 0.000 0.501 336 A N 1.552 124.438 122.820 0.109 0.000 2.331 336 A HA 0.833 5.153 4.320 -0.000 0.000 0.320 336 A C -2.566 175.204 177.584 0.309 0.000 1.138 336 A CA -1.588 50.569 52.037 0.199 0.000 0.790 336 A CB 1.719 20.846 19.000 0.212 0.000 1.206 336 A HN 0.058 nan 8.150 nan 0.000 0.470 337 P HA 0.254 nan 4.420 nan 0.000 0.269 337 P C 0.922 178.230 177.300 0.012 0.000 1.209 337 P CA 1.516 64.672 63.100 0.093 0.000 0.776 337 P CB 1.048 32.773 31.700 0.041 0.000 0.876 338 G N 1.118 109.868 108.800 -0.083 0.000 2.241 338 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 338 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 338 G C -0.137 174.506 174.900 -0.428 0.000 0.998 338 G CA -0.361 44.573 45.100 -0.276 0.000 0.621 338 G HN 0.432 nan 8.290 nan 0.000 0.519 339 F N 1.686 121.563 119.950 -0.121 0.000 2.396 339 F HA 0.713 5.240 4.527 -0.000 0.000 0.343 339 F C 0.762 176.536 175.800 -0.045 0.000 1.104 339 F CA 0.203 58.100 58.000 -0.172 0.000 1.161 339 F CB 2.021 40.981 39.000 -0.067 0.000 1.146 339 F HN 0.175 nan 8.300 nan 0.000 0.522 340 S N 2.206 118.002 115.700 0.160 0.000 2.537 340 S HA 0.259 4.729 4.470 -0.000 0.000 0.270 340 S C 0.355 175.190 174.600 0.391 0.000 1.142 340 S CA -0.872 57.455 58.200 0.212 0.000 0.870 340 S CB 1.668 64.910 63.200 0.071 0.000 1.112 340 S HN 0.763 nan 8.310 nan 0.000 0.466 341 K N 1.287 121.844 120.400 0.261 0.000 2.155 341 K HA 0.034 4.354 4.320 -0.000 0.000 0.203 341 K C -0.126 176.527 176.600 0.088 0.000 1.052 341 K CA 1.403 57.772 56.287 0.136 0.000 0.948 341 K CB -0.021 32.264 32.500 -0.359 0.000 0.728 341 K HN 0.640 nan 8.250 nan 0.000 0.448 342 D N 0.715 121.142 120.400 0.045 0.000 2.587 342 D HA 0.050 4.690 4.640 -0.000 0.000 0.233 342 D C -0.424 175.909 176.300 0.056 0.000 1.213 342 D CA 0.117 54.127 54.000 0.017 0.000 0.827 342 D CB 0.892 41.669 40.800 -0.038 0.000 1.006 342 D HN 0.022 nan 8.370 nan 0.000 0.490 343 S N -0.393 115.379 115.700 0.121 0.000 2.615 343 S HA 0.126 4.596 4.470 -0.000 0.000 0.269 343 S C 0.295 174.933 174.600 0.064 0.000 1.161 343 S CA -0.589 57.643 58.200 0.053 0.000 0.817 343 S CB 2.085 65.270 63.200 -0.025 0.000 1.131 343 S HN -0.040 nan 8.310 nan 0.000 0.467 344 E N 0.927 121.114 120.200 -0.021 0.000 2.418 344 E HA 0.073 4.423 4.350 -0.000 0.000 0.197 344 E C -0.246 176.132 176.600 -0.370 0.000 1.026 344 E CA 0.748 57.117 56.400 -0.051 0.000 0.862 344 E CB -0.116 29.570 29.700 -0.023 0.000 0.799 344 E HN 0.702 nan 8.360 nan 0.000 0.518 345 S N 0.905 116.335 115.700 -0.451 0.000 3.628 345 S HA -0.173 4.297 4.470 -0.000 0.000 0.373 345 S C -0.500 173.756 174.600 -0.573 0.000 0.968 345 S CA 0.660 58.458 58.200 -0.670 0.000 1.215 345 S CB -1.187 61.240 63.200 -1.288 0.000 0.912 345 S HN 0.298 nan 8.310 nan 0.000 0.495 346 K N 1.052 121.241 120.400 -0.351 0.000 2.383 346 K HA 0.248 4.567 4.320 -0.000 0.000 0.286 346 K C 0.338 176.754 176.600 -0.307 0.000 1.051 346 K CA -0.135 55.993 56.287 -0.266 0.000 0.974 346 K CB 0.392 32.793 32.500 -0.166 0.000 0.968 346 K HN 0.237 nan 8.250 nan 0.000 0.475 347 I N 3.130 123.517 120.570 -0.305 0.000 2.331 347 I HA 0.015 4.185 4.170 -0.000 0.000 0.292 347 I C 1.201 177.232 176.117 -0.142 0.000 0.998 347 I CA -0.134 60.999 61.300 -0.278 0.000 1.267 347 I CB 0.880 38.712 38.000 -0.280 0.000 1.386 347 I HN 0.688 nan 8.210 nan 0.000 0.476 348 S N 6.524 122.156 115.700 -0.114 0.000 2.617 348 S HA 0.164 4.634 4.470 -0.000 0.000 0.255 348 S C 1.205 175.795 174.600 -0.017 0.000 1.318 348 S CA -0.238 57.922 58.200 -0.067 0.000 0.978 348 S CB 1.242 64.411 63.200 -0.052 0.000 0.961 348 S HN 0.619 nan 8.310 nan 0.000 0.582 349 R N 0.535 121.028 120.500 -0.011 0.000 2.090 349 R HA 0.023 4.363 4.340 -0.000 0.000 0.228 349 R C 2.313 178.678 176.300 0.108 0.000 1.110 349 R CA 1.972 58.090 56.100 0.030 0.000 0.973 349 R CB -0.950 29.355 30.300 0.009 0.000 0.869 349 R HN 0.918 nan 8.270 nan 0.000 0.440 350 E N -0.115 120.122 120.200 0.063 0.000 2.051 350 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 350 E C 0.913 177.552 176.600 0.066 0.000 0.991 350 E CA 1.669 58.106 56.400 0.061 0.000 0.799 350 E CB -0.032 29.686 29.700 0.030 0.000 0.748 350 E HN 0.329 nan 8.360 nan 0.000 0.449 351 D N -0.259 120.169 120.400 0.047 0.000 2.178 351 D HA -0.134 4.505 4.640 -0.000 0.000 0.202 351 D C 1.584 177.934 176.300 0.083 0.000 0.974 351 D CA 0.496 54.517 54.000 0.035 0.000 0.841 351 D CB -0.313 40.468 40.800 -0.033 0.000 0.953 351 D HN 0.192 nan 8.370 nan 0.000 0.478 352 F N 1.299 121.236 119.950 -0.022 0.000 2.075 352 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 352 F C 2.194 178.009 175.800 0.024 0.000 1.113 352 F CA 1.249 59.251 58.000 0.003 0.000 1.218 352 F CB -0.130 38.852 39.000 -0.029 0.000 0.984 352 F HN -0.194 nan 8.300 nan 0.000 0.472 353 M N -0.042 119.638 119.600 0.133 0.000 2.080 353 M HA -0.222 4.257 4.480 -0.000 0.000 0.260 353 M C 2.388 178.660 176.300 -0.047 0.000 1.068 353 M CA 1.796 57.120 55.300 0.039 0.000 1.109 353 M CB -1.691 30.974 32.600 0.108 0.000 1.342 353 M HN 0.130 nan 8.290 nan 0.000 0.405 354 S N 0.530 116.225 115.700 -0.010 0.000 2.370 354 S HA -0.102 4.368 4.470 -0.000 0.000 0.226 354 S C 2.052 176.629 174.600 -0.037 0.000 1.033 354 S CA 1.435 59.629 58.200 -0.011 0.000 1.011 354 S CB -0.905 62.305 63.200 0.016 0.000 0.852 354 S HN 0.686 nan 8.310 nan 0.000 0.457 355 G N 1.885 110.651 108.800 -0.056 0.000 2.446 355 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.217 355 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.217 355 G C 1.685 176.497 174.900 -0.146 0.000 1.168 355 G CA 1.385 46.448 45.100 -0.062 0.000 0.771 355 G HN 0.562 nan 8.290 nan 0.000 0.551 356 V N -0.046 119.702 119.914 -0.276 0.000 2.343 356 V HA -0.090 4.030 4.120 -0.000 0.000 0.247 356 V C 2.532 178.545 176.094 -0.135 0.000 1.051 356 V CA 2.639 64.796 62.300 -0.240 0.000 1.036 356 V CB -0.690 30.957 31.823 -0.294 0.000 0.654 356 V HN 0.308 nan 8.190 nan 0.000 0.451 357 K N 0.480 120.814 120.400 -0.109 0.000 2.032 357 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 357 K C 1.856 178.409 176.600 -0.077 0.000 1.048 357 K CA 2.071 58.304 56.287 -0.089 0.000 0.927 357 K CB -0.811 31.654 32.500 -0.059 0.000 0.712 357 K HN 0.450 nan 8.250 nan 0.000 0.441 358 L N 0.637 121.831 121.223 -0.047 0.000 2.093 358 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 358 L C 2.190 179.058 176.870 -0.003 0.000 1.085 358 L CA 1.666 56.499 54.840 -0.011 0.000 0.755 358 L CB -0.818 41.246 42.059 0.009 0.000 0.904 358 L HN 0.160 nan 8.230 nan 0.000 0.435 359 S N -1.545 114.137 115.700 -0.029 0.000 2.406 359 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 359 S C 0.986 175.584 174.600 -0.004 0.000 1.020 359 S CA 0.538 58.732 58.200 -0.010 0.000 0.965 359 S CB 0.142 63.312 63.200 -0.049 0.000 0.798 359 S HN 0.160 nan 8.310 nan 0.000 0.488 360 V N 3.418 123.281 119.914 -0.085 0.000 2.326 360 V HA 0.204 4.324 4.120 -0.000 0.000 0.254 360 V C -1.696 174.252 176.094 -0.243 0.000 1.022 360 V CA -1.366 60.816 62.300 -0.196 0.000 1.074 360 V CB 0.657 32.314 31.823 -0.277 0.000 1.305 360 V HN 0.217 nan 8.190 nan 0.000 0.506 361 P HA -0.196 nan 4.420 nan 0.000 0.219 361 P C 1.116 178.036 177.300 -0.633 0.000 1.146 361 P CA 1.578 64.511 63.100 -0.278 0.000 0.808 361 P CB 0.056 31.739 31.700 -0.028 0.000 0.779 362 H N -0.939 117.889 119.070 -0.404 0.000 2.539 362 H HA 0.446 5.001 4.556 -0.000 0.000 0.267 362 H C 0.621 175.808 175.328 -0.235 0.000 0.982 362 H CA -0.171 55.668 56.048 -0.347 0.000 1.146 362 H CB -0.748 28.977 29.762 -0.061 0.000 1.382 362 H HN -0.008 nan 8.280 nan 0.000 0.577 363 A N 2.295 124.793 122.820 -0.537 0.000 2.340 363 A HA 0.274 4.594 4.320 -0.000 0.000 0.268 363 A C 0.319 177.763 177.584 -0.233 0.000 1.100 363 A CA -0.420 51.395 52.037 -0.371 0.000 0.803 363 A CB 0.299 19.080 19.000 -0.365 0.000 1.043 363 A HN 0.658 nan 8.150 nan 0.000 0.488 364 N N 0.542 119.145 118.700 -0.162 0.000 2.413 364 N HA 0.154 4.893 4.740 -0.000 0.000 0.266 364 N C 0.275 175.730 175.510 -0.091 0.000 1.238 364 N CA -0.073 52.911 53.050 -0.110 0.000 0.972 364 N CB 0.232 38.670 38.487 -0.081 0.000 1.210 364 N HN 0.600 nan 8.380 nan 0.000 0.547 365 D N -0.846 119.517 120.400 -0.061 0.000 2.172 365 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 365 D C 1.527 177.811 176.300 -0.025 0.000 0.999 365 D CA 1.053 55.031 54.000 -0.038 0.000 0.856 365 D CB -0.064 40.723 40.800 -0.022 0.000 0.934 365 D HN 0.488 nan 8.370 nan 0.000 0.453 366 L N -0.166 121.038 121.223 -0.032 0.000 2.056 366 L HA 0.090 4.429 4.340 -0.000 0.000 0.207 366 L C 2.263 179.120 176.870 -0.022 0.000 1.078 366 L CA 2.159 56.988 54.840 -0.019 0.000 0.749 366 L CB -0.975 41.064 42.059 -0.033 0.000 0.901 366 L HN 0.152 nan 8.230 nan 0.000 0.433 367 G N -0.687 108.072 108.800 -0.069 0.000 2.422 367 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 367 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 367 G C 1.581 176.459 174.900 -0.036 0.000 1.146 367 G CA 0.995 46.040 45.100 -0.092 0.000 0.769 367 G HN 0.421 nan 8.290 nan 0.000 0.547 368 L N 0.432 121.632 121.223 -0.039 0.000 2.027 368 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 368 L C 2.527 179.431 176.870 0.056 0.000 1.074 368 L CA 1.185 56.019 54.840 -0.011 0.000 0.745 368 L CB -0.412 41.629 42.059 -0.030 0.000 0.898 368 L HN 0.081 nan 8.230 nan 0.000 0.433 369 D N 0.356 120.796 120.400 0.066 0.000 2.149 369 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 369 D C 2.215 178.606 176.300 0.151 0.000 0.990 369 D CA 1.517 55.584 54.000 0.111 0.000 0.839 369 D CB -0.071 40.782 40.800 0.089 0.000 0.948 369 D HN 0.321 nan 8.370 nan 0.000 0.460 370 A N 0.644 123.562 122.820 0.163 0.000 1.877 370 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 370 A C 2.560 180.309 177.584 0.276 0.000 1.186 370 A CA 1.361 53.562 52.037 0.273 0.000 0.620 370 A CB -0.789 18.414 19.000 0.339 0.000 0.822 370 A HN 0.149 nan 8.150 nan 0.000 0.443 371 V N -0.263 119.805 119.914 0.255 0.000 2.295 371 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 371 V C 2.753 178.954 176.094 0.178 0.000 1.049 371 V CA 2.499 64.909 62.300 0.182 0.000 1.024 371 V CB -1.349 30.558 31.823 0.139 0.000 0.648 371 V HN 0.610 nan 8.190 nan 0.000 0.447 372 T N 0.572 115.238 114.554 0.188 0.000 2.684 372 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 372 T C 1.902 176.752 174.700 0.251 0.000 1.036 372 T CA 1.964 64.231 62.100 0.278 0.000 1.148 372 T CB -0.391 68.645 68.868 0.280 0.000 0.863 372 T HN 0.302 nan 8.240 nan 0.000 0.436 373 L N 1.202 122.555 121.223 0.215 0.000 2.083 373 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 373 L C 2.427 179.312 176.870 0.024 0.000 1.083 373 L CA 1.773 56.739 54.840 0.210 0.000 0.752 373 L CB -0.792 41.384 42.059 0.195 0.000 0.899 373 L HN 0.130 nan 8.230 nan 0.000 0.433 374 Q N -1.441 118.282 119.800 -0.128 0.000 2.291 374 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 374 Q C 0.794 176.507 176.000 -0.478 0.000 0.970 374 Q CA 1.680 57.212 55.803 -0.452 0.000 0.876 374 Q CB -0.136 27.947 28.738 -1.092 0.000 0.935 374 Q HN 0.687 nan 8.270 nan 0.000 0.455 375 Y N -1.215 119.017 120.300 -0.114 0.000 2.660 375 Y HA 0.356 4.906 4.550 -0.000 0.000 0.254 375 Y C -0.398 175.461 175.900 -0.068 0.000 1.176 375 Y CA -0.329 57.763 58.100 -0.014 0.000 1.195 375 Y CB 1.130 39.678 38.460 0.147 0.000 1.190 375 Y HN -0.193 nan 8.280 nan 0.000 0.535 376 T N 0.572 115.058 114.554 -0.113 0.000 2.792 376 T HA 0.095 4.444 4.350 -0.000 0.000 0.280 376 T C -0.961 173.435 174.700 -0.506 0.000 0.990 376 T CA -0.693 61.132 62.100 -0.458 0.000 0.960 376 T CB 1.175 69.575 68.868 -0.780 0.000 0.939 376 T HN -0.008 nan 8.240 nan 0.000 0.439 377 D N 2.130 122.262 120.400 -0.447 0.000 2.422 377 D HA 0.092 4.732 4.640 -0.000 0.000 0.227 377 D C 0.122 176.231 176.300 -0.319 0.000 1.190 377 D CA -0.703 53.130 54.000 -0.278 0.000 0.905 377 D CB 0.332 41.023 40.800 -0.181 0.000 1.034 377 D HN 0.626 nan 8.370 nan 0.000 0.507 378 W N 2.980 124.245 121.300 -0.059 0.000 2.848 378 W HA 0.009 4.669 4.660 -0.000 0.000 0.241 378 W C 1.919 178.411 176.519 -0.045 0.000 1.289 378 W CA -0.099 57.215 57.345 -0.051 0.000 1.396 378 W CB 0.017 29.453 29.460 -0.040 0.000 1.138 378 W HN 0.394 nan 8.180 nan 0.000 0.677 379 M N -0.759 118.905 119.600 0.106 0.000 2.428 379 M HA 0.036 4.516 4.480 -0.000 0.000 0.239 379 M C 0.171 176.484 176.300 0.022 0.000 1.121 379 M CA 0.992 56.333 55.300 0.069 0.000 1.019 379 M CB 0.323 32.944 32.600 0.035 0.000 1.485 379 M HN -0.209 nan 8.290 nan 0.000 0.484 380 D N -0.096 120.288 120.400 -0.026 0.000 3.629 380 D HA -0.028 4.612 4.640 -0.000 0.000 0.306 380 D C 0.506 176.720 176.300 -0.143 0.000 1.431 380 D CA 0.096 54.058 54.000 -0.063 0.000 0.748 380 D CB 0.216 40.978 40.800 -0.062 0.000 1.315 380 D HN 0.218 nan 8.370 nan 0.000 0.667 381 D N -0.571 119.727 120.400 -0.171 0.000 2.265 381 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 381 D C 0.670 176.817 176.300 -0.255 0.000 0.977 381 D CA 0.502 54.300 54.000 -0.337 0.000 0.871 381 D CB 0.074 40.650 40.800 -0.373 0.000 0.925 381 D HN 0.196 nan 8.370 nan 0.000 0.485 382 N N 0.731 119.350 118.700 -0.136 0.000 2.314 382 N HA -0.046 4.694 4.740 -0.000 0.000 0.200 382 N C 0.093 175.535 175.510 -0.114 0.000 1.135 382 N CA -0.117 52.867 53.050 -0.109 0.000 0.835 382 N CB -0.135 38.320 38.487 -0.054 0.000 0.989 382 N HN 0.189 nan 8.380 nan 0.000 0.478 383 N N 1.137 119.755 118.700 -0.136 0.000 2.406 383 N HA 0.016 4.755 4.740 -0.000 0.000 0.265 383 N C 1.294 176.729 175.510 -0.125 0.000 1.203 383 N CA 0.040 53.023 53.050 -0.112 0.000 0.945 383 N CB 0.793 39.216 38.487 -0.106 0.000 1.165 383 N HN 0.161 nan 8.380 nan 0.000 0.485 384 G N 4.146 112.883 108.800 -0.105 0.000 2.450 384 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 384 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 384 G C 1.539 176.376 174.900 -0.105 0.000 1.130 384 G CA 0.503 45.533 45.100 -0.116 0.000 0.760 384 G HN 0.693 nan 8.290 nan 0.000 0.557 385 I N -0.181 120.345 120.570 -0.073 0.000 2.333 385 I HA -0.051 4.119 4.170 -0.000 0.000 0.246 385 I C 2.714 178.823 176.117 -0.013 0.000 1.106 385 I CA 0.879 62.159 61.300 -0.034 0.000 1.411 385 I CB -0.103 37.892 38.000 -0.009 0.000 1.082 385 I HN 0.107 nan 8.210 nan 0.000 0.420 386 K N 0.644 121.016 120.400 -0.047 0.000 2.148 386 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 386 K C 1.754 178.315 176.600 -0.065 0.000 1.050 386 K CA 1.000 57.257 56.287 -0.050 0.000 0.942 386 K CB -0.107 32.332 32.500 -0.102 0.000 0.724 386 K HN 0.304 nan 8.250 nan 0.000 0.446 387 N N 0.819 119.445 118.700 -0.124 0.000 2.216 387 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 387 N C 1.711 177.323 175.510 0.171 0.000 1.017 387 N CA 0.815 53.789 53.050 -0.126 0.000 0.861 387 N CB -0.074 38.295 38.487 -0.196 0.000 0.986 387 N HN 0.217 nan 8.380 nan 0.000 0.428 388 R N 1.232 121.783 120.500 0.084 0.000 2.061 388 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 388 R C 0.907 177.385 176.300 0.296 0.000 1.140 388 R CA 1.570 57.766 56.100 0.159 0.000 0.940 388 R CB -0.080 30.223 30.300 0.005 0.000 0.839 388 R HN 0.016 nan 8.270 nan 0.000 0.429 389 D N -0.349 120.185 120.400 0.223 0.000 2.182 389 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 389 D C 1.710 178.164 176.300 0.256 0.000 0.986 389 D CA 1.450 55.594 54.000 0.240 0.000 0.847 389 D CB -0.568 40.342 40.800 0.184 0.000 0.942 389 D HN 0.547 nan 8.370 nan 0.000 0.467 390 G N 0.651 109.612 108.800 0.268 0.000 2.421 390 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 390 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 390 G C 1.574 176.657 174.900 0.305 0.000 1.171 390 G CA 0.311 45.623 45.100 0.353 0.000 0.775 390 G HN 0.186 nan 8.290 nan 0.000 0.543 391 L N 1.028 122.466 121.223 0.357 0.000 2.046 391 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 391 L C 2.358 179.297 176.870 0.116 0.000 1.077 391 L CA 2.058 57.000 54.840 0.170 0.000 0.747 391 L CB -0.629 41.611 42.059 0.302 0.000 0.896 391 L HN 0.268 nan 8.230 nan 0.000 0.432 392 D N -0.840 119.685 120.400 0.208 0.000 2.123 392 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 392 D C 1.696 178.081 176.300 0.142 0.000 0.992 392 D CA 1.416 55.529 54.000 0.188 0.000 0.833 392 D CB 0.037 40.999 40.800 0.271 0.000 0.954 392 D HN 0.309 nan 8.370 nan 0.000 0.455 393 D N -0.344 120.151 120.400 0.158 0.000 2.144 393 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 393 D C 2.331 178.642 176.300 0.019 0.000 0.978 393 D CA 0.377 54.483 54.000 0.176 0.000 0.833 393 D CB -0.120 40.888 40.800 0.347 0.000 0.961 393 D HN 0.368 nan 8.370 nan 0.000 0.470 394 I N 0.633 121.067 120.570 -0.228 0.000 2.127 394 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 394 I C 2.454 178.448 176.117 -0.204 0.000 1.075 394 I CA 0.786 61.874 61.300 -0.353 0.000 1.334 394 I CB -0.252 37.520 38.000 -0.380 0.000 1.040 394 I HN -0.108 nan 8.210 nan 0.000 0.405 395 V N 1.015 120.857 119.914 -0.120 0.000 2.343 395 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 395 V C 2.527 178.523 176.094 -0.162 0.000 1.051 395 V CA 2.256 64.497 62.300 -0.099 0.000 1.036 395 V CB -1.353 30.479 31.823 0.015 0.000 0.654 395 V HN 0.596 nan 8.190 nan 0.000 0.451 396 G N -0.739 108.021 108.800 -0.067 0.000 2.403 396 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.216 396 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.216 396 G C 1.228 176.053 174.900 -0.125 0.000 1.154 396 G CA 0.789 45.857 45.100 -0.054 0.000 0.784 396 G HN 0.496 nan 8.290 nan 0.000 0.538 397 D N -0.178 120.145 120.400 -0.129 0.000 2.103 397 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 397 D C 2.074 178.027 176.300 -0.577 0.000 0.978 397 D CA 1.120 55.011 54.000 -0.180 0.000 0.829 397 D CB -0.372 40.486 40.800 0.096 0.000 0.981 397 D HN 0.380 nan 8.370 nan 0.000 0.464 398 H N 1.133 119.550 119.070 -1.089 0.000 2.326 398 H HA 0.036 4.592 4.556 -0.000 0.000 0.301 398 H C 1.536 176.472 175.328 -0.652 0.000 1.081 398 H CA 1.686 56.977 56.048 -1.262 0.000 1.334 398 H CB 0.027 28.947 29.762 -1.403 0.000 1.385 398 H HN -0.002 nan 8.280 nan 0.000 0.504 399 N N -0.670 117.583 118.700 -0.744 0.000 2.395 399 N HA -0.024 4.716 4.740 -0.000 0.000 0.175 399 N C 1.285 176.518 175.510 -0.462 0.000 1.029 399 N CA 1.165 53.724 53.050 -0.818 0.000 0.897 399 N CB 0.928 38.485 38.487 -1.549 0.000 0.991 399 N HN 0.269 nan 8.380 nan 0.000 0.441 400 V N 0.583 120.296 119.914 -0.335 0.000 3.278 400 V HA 0.144 4.264 4.120 -0.000 0.000 0.215 400 V C 2.108 178.165 176.094 -0.063 0.000 1.287 400 V CA -0.057 62.179 62.300 -0.107 0.000 1.302 400 V CB 0.050 31.875 31.823 0.004 0.000 1.228 400 V HN -0.054 nan 8.190 nan 0.000 0.523 401 I N 0.638 121.187 120.570 -0.036 0.000 2.099 401 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 401 I C 2.568 178.691 176.117 0.010 0.000 1.066 401 I CA 2.006 63.317 61.300 0.017 0.000 1.324 401 I CB -0.483 37.565 38.000 0.080 0.000 1.037 401 I HN 0.391 nan 8.210 nan 0.000 0.401 402 c N 0.556 119.152 118.600 -0.008 0.000 2.440 402 c HA -0.035 4.535 4.570 -0.000 0.000 0.278 402 c C 0.269 174.389 174.090 0.049 0.000 1.295 402 c CA 0.635 57.001 56.329 0.062 0.000 1.738 402 c CB -1.826 40.762 42.510 0.130 0.000 1.987 402 c HN 0.360 nan 8.230 nan 0.000 0.492 403 P HA -0.103 nan 4.420 nan 0.000 0.217 403 P C 1.750 179.077 177.300 0.045 0.000 1.150 403 P CA 1.104 64.180 63.100 -0.040 0.000 0.832 403 P CB -0.170 31.411 31.700 -0.197 0.000 0.787 404 L N -1.909 119.318 121.223 0.007 0.000 2.093 404 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 404 L C 2.071 178.984 176.870 0.072 0.000 1.085 404 L CA 1.562 56.421 54.840 0.032 0.000 0.755 404 L CB -0.496 41.552 42.059 -0.018 0.000 0.904 404 L HN -0.103 nan 8.230 nan 0.000 0.435 405 M N -0.948 118.685 119.600 0.055 0.000 2.159 405 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 405 M C 2.255 178.616 176.300 0.102 0.000 1.063 405 M CA 1.595 56.922 55.300 0.046 0.000 1.110 405 M CB -1.594 31.052 32.600 0.077 0.000 1.374 405 M HN 0.416 nan 8.290 nan 0.000 0.411 406 H N 0.031 119.137 119.070 0.060 0.000 2.290 406 H HA -0.196 4.360 4.556 -0.000 0.000 0.298 406 H C 1.842 177.211 175.328 0.068 0.000 1.087 406 H CA 2.205 58.295 56.048 0.070 0.000 1.291 406 H CB -0.544 29.259 29.762 0.067 0.000 1.369 406 H HN 0.236 nan 8.280 nan 0.000 0.492 407 F N 0.234 120.121 119.950 -0.104 0.000 2.069 407 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 407 F C 2.658 178.365 175.800 -0.155 0.000 1.113 407 F CA 1.744 59.638 58.000 -0.176 0.000 1.214 407 F CB -1.059 37.851 39.000 -0.151 0.000 0.978 407 F HN 0.149 nan 8.300 nan 0.000 0.474 408 V N 1.104 120.904 119.914 -0.189 0.000 2.332 408 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 408 V C 2.206 178.144 176.094 -0.260 0.000 1.055 408 V CA 2.628 64.718 62.300 -0.349 0.000 1.038 408 V CB -0.648 30.877 31.823 -0.496 0.000 0.651 408 V HN 0.460 nan 8.190 nan 0.000 0.450 409 N N -0.154 118.472 118.700 -0.124 0.000 2.188 409 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 409 N C 1.819 177.307 175.510 -0.035 0.000 1.018 409 N CA 1.185 54.261 53.050 0.043 0.000 0.858 409 N CB -0.225 38.322 38.487 0.100 0.000 0.989 409 N HN 0.454 nan 8.380 nan 0.000 0.426 410 K N 0.403 120.700 120.400 -0.171 0.000 2.062 410 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 410 K C 1.954 178.531 176.600 -0.038 0.000 1.051 410 K CA 0.534 56.747 56.287 -0.123 0.000 0.941 410 K CB -0.716 31.645 32.500 -0.232 0.000 0.719 410 K HN 0.250 nan 8.250 nan 0.000 0.440 411 Y N 2.486 122.550 120.300 -0.393 0.000 2.145 411 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 411 Y C 2.199 178.094 175.900 -0.008 0.000 1.145 411 Y CA 2.031 59.912 58.100 -0.366 0.000 1.148 411 Y CB -0.519 37.410 38.460 -0.885 0.000 0.981 411 Y HN 0.030 nan 8.280 nan 0.000 0.507 412 T N 0.983 115.562 114.554 0.043 0.000 2.869 412 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 412 T C 1.692 176.375 174.700 -0.028 0.000 1.082 412 T CA 1.422 63.569 62.100 0.078 0.000 1.123 412 T CB -0.154 68.854 68.868 0.234 0.000 0.856 412 T HN 0.217 nan 8.240 nan 0.000 0.499 413 K N 0.127 120.475 120.400 -0.087 0.000 2.283 413 K HA 0.067 4.387 4.320 -0.000 0.000 0.202 413 K C 1.196 177.491 176.600 -0.508 0.000 1.048 413 K CA 0.998 57.107 56.287 -0.297 0.000 0.948 413 K CB -0.160 32.100 32.500 -0.399 0.000 0.742 413 K HN 0.459 nan 8.250 nan 0.000 0.458 414 F N -0.513 119.366 119.950 -0.118 0.000 2.778 414 F HA 0.235 4.762 4.527 -0.000 0.000 0.314 414 F C 1.583 177.245 175.800 -0.230 0.000 1.073 414 F CA -0.343 57.548 58.000 -0.181 0.000 1.218 414 F CB -0.321 38.518 39.000 -0.268 0.000 1.037 414 F HN -0.123 nan 8.300 nan 0.000 0.594 415 G N 0.083 108.770 108.800 -0.189 0.000 2.712 415 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.258 415 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.258 415 G C 0.477 175.388 174.900 0.019 0.000 1.241 415 G CA -0.167 44.816 45.100 -0.194 0.000 0.923 415 G HN 0.322 nan 8.290 nan 0.000 0.548 416 N N -0.563 118.207 118.700 0.116 0.000 2.235 416 N HA 0.263 5.003 4.740 -0.000 0.000 0.231 416 N C 0.250 175.831 175.510 0.118 0.000 1.177 416 N CA 0.422 53.528 53.050 0.094 0.000 0.874 416 N CB 0.460 38.998 38.487 0.085 0.000 1.097 416 N HN 0.839 nan 8.380 nan 0.000 0.518 417 G N 0.583 109.475 108.800 0.152 0.000 1.950 417 G HA2 0.063 4.023 3.960 -0.000 0.000 0.231 417 G HA3 0.063 4.023 3.960 -0.000 0.000 0.231 417 G C -1.339 173.631 174.900 0.116 0.000 1.685 417 G CA -0.606 44.560 45.100 0.110 0.000 0.922 417 G HN 0.002 nan 8.290 nan 0.000 0.717 418 T N 1.873 116.376 114.554 -0.085 0.000 2.812 418 T HA 0.650 5.000 4.350 -0.000 0.000 0.282 418 T C -1.217 173.275 174.700 -0.346 0.000 0.990 418 T CA -0.285 61.772 62.100 -0.071 0.000 0.960 418 T CB 1.133 70.040 68.868 0.064 0.000 0.948 418 T HN 0.389 nan 8.240 nan 0.000 0.438 419 Y N 2.342 122.566 120.300 -0.126 0.000 2.338 419 Y HA 0.639 5.189 4.550 -0.000 0.000 0.333 419 Y C -0.444 175.481 175.900 0.041 0.000 0.968 419 Y CA -1.151 56.818 58.100 -0.220 0.000 1.123 419 Y CB 1.471 39.373 38.460 -0.930 0.000 1.165 419 Y HN 0.441 nan 8.280 nan 0.000 0.452 420 L N 5.884 127.424 121.223 0.530 0.000 2.334 420 L HA 0.648 4.988 4.340 -0.000 0.000 0.276 420 L C -1.258 176.056 176.870 0.740 0.000 1.014 420 L CA -1.026 54.076 54.840 0.437 0.000 0.815 420 L CB 0.822 42.997 42.059 0.193 0.000 1.268 420 L HN 0.523 nan 8.230 nan 0.000 0.428 421 Y N 3.094 123.707 120.300 0.521 0.000 2.576 421 Y HA 0.731 5.281 4.550 -0.000 0.000 0.346 421 Y C -1.818 174.351 175.900 0.449 0.000 1.018 421 Y CA -2.151 56.210 58.100 0.435 0.000 1.050 421 Y CB 1.324 39.992 38.460 0.347 0.000 1.280 421 Y HN 0.533 nan 8.280 nan 0.000 0.474 422 F N 4.293 124.589 119.950 0.576 0.000 2.610 422 F HA 0.449 4.976 4.527 -0.000 0.000 0.355 422 F C -1.878 174.225 175.800 0.505 0.000 1.140 422 F CA -1.789 56.474 58.000 0.439 0.000 1.037 422 F CB 0.599 39.842 39.000 0.406 0.000 1.287 422 F HN 0.558 nan 8.300 nan 0.000 0.457 423 F N 7.644 127.680 119.950 0.143 0.000 2.438 423 F HA 0.279 4.806 4.527 -0.000 0.000 0.360 423 F C 0.300 175.961 175.800 -0.231 0.000 1.118 423 F CA -0.241 57.771 58.000 0.020 0.000 1.164 423 F CB 0.451 39.523 39.000 0.121 0.000 1.131 423 F HN 0.529 nan 8.300 nan 0.000 0.527 424 N N 3.417 121.755 118.700 -0.603 0.000 2.571 424 N HA 0.083 4.823 4.740 -0.000 0.000 0.298 424 N C -1.245 174.030 175.510 -0.393 0.000 1.671 424 N CA -0.516 52.276 53.050 -0.431 0.000 0.900 424 N CB -0.616 37.777 38.487 -0.157 0.000 1.365 424 N HN 0.600 nan 8.380 nan 0.000 0.493 425 H N 0.451 118.997 119.070 -0.875 0.000 2.504 425 H HA 0.527 5.083 4.556 -0.000 0.000 0.322 425 H C -0.492 174.674 175.328 -0.271 0.000 1.055 425 H CA -0.685 55.026 56.048 -0.562 0.000 1.231 425 H CB 1.051 30.384 29.762 -0.714 0.000 1.417 425 H HN 0.129 nan 8.280 nan 0.000 0.472 426 R N 4.217 124.318 120.500 -0.664 0.000 2.196 426 R HA 0.502 4.842 4.340 -0.000 0.000 0.340 426 R C -0.761 175.219 176.300 -0.533 0.000 1.043 426 R CA -0.283 55.583 56.100 -0.391 0.000 0.883 426 R CB -0.032 30.141 30.300 -0.211 0.000 1.078 426 R HN 0.736 nan 8.270 nan 0.000 0.462 427 A N 3.412 126.164 122.820 -0.114 0.000 2.540 427 A HA 0.085 4.405 4.320 -0.000 0.000 0.239 427 A C 1.230 178.865 177.584 0.085 0.000 1.061 427 A CA 0.496 52.655 52.037 0.203 0.000 0.758 427 A CB 0.086 19.401 19.000 0.524 0.000 0.991 427 A HN 1.057 nan 8.150 nan 0.000 0.502 428 S N 1.521 117.301 115.700 0.134 0.000 2.442 428 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 428 S C 0.825 175.415 174.600 -0.017 0.000 1.007 428 S CA 1.241 59.472 58.200 0.053 0.000 0.965 428 S CB -0.471 62.781 63.200 0.086 0.000 0.773 428 S HN 0.954 nan 8.310 nan 0.000 0.504 429 N N 0.416 119.072 118.700 -0.074 0.000 2.328 429 N HA 0.292 5.032 4.740 -0.000 0.000 0.247 429 N C -0.470 174.988 175.510 -0.087 0.000 1.165 429 N CA -0.544 52.420 53.050 -0.142 0.000 0.873 429 N CB -0.435 37.858 38.487 -0.325 0.000 1.125 429 N HN 0.313 nan 8.380 nan 0.000 0.513 430 L N 1.310 122.528 121.223 -0.008 0.000 2.455 430 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 430 L C 1.311 178.180 176.870 -0.002 0.000 1.174 430 L CA 0.016 54.877 54.840 0.035 0.000 0.869 430 L CB 1.061 43.151 42.059 0.051 0.000 1.130 430 L HN 0.238 nan 8.230 nan 0.000 0.474 431 V N 0.938 120.827 119.914 -0.042 0.000 3.406 431 V HA 0.108 4.228 4.120 -0.000 0.000 0.263 431 V C 0.546 176.631 176.094 -0.015 0.000 1.172 431 V CA -0.336 61.900 62.300 -0.107 0.000 1.140 431 V CB -1.241 30.376 31.823 -0.343 0.000 0.784 431 V HN 0.646 nan 8.190 nan 0.000 0.467 432 W N 1.738 123.055 121.300 0.027 0.000 2.215 432 W HA 0.538 5.198 4.660 -0.000 0.000 0.342 432 W C -1.826 174.610 176.519 -0.138 0.000 1.237 432 W CA -2.264 55.066 57.345 -0.025 0.000 1.283 432 W CB -0.029 29.341 29.460 -0.150 0.000 1.131 432 W HN -0.041 nan 8.180 nan 0.000 0.606 433 P HA -0.079 nan 4.420 nan 0.000 0.269 433 P C 0.283 177.505 177.300 -0.131 0.000 1.209 433 P CA 0.304 63.382 63.100 -0.037 0.000 0.776 433 P CB 1.190 32.889 31.700 -0.003 0.000 0.876 434 E N 3.189 123.388 120.200 -0.001 0.000 2.130 434 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 434 E C 1.669 178.299 176.600 0.049 0.000 0.998 434 E CA 1.803 58.218 56.400 0.025 0.000 0.806 434 E CB -0.589 29.160 29.700 0.080 0.000 0.738 434 E HN 0.655 nan 8.360 nan 0.000 0.459 435 W N -0.395 120.950 121.300 0.075 0.000 2.421 435 W HA -0.121 4.539 4.660 -0.000 0.000 0.270 435 W C 1.308 177.885 176.519 0.097 0.000 1.233 435 W CA 0.515 57.913 57.345 0.088 0.000 1.226 435 W CB -0.742 28.779 29.460 0.103 0.000 1.121 435 W HN 0.094 nan 8.180 nan 0.000 0.579 436 M N 1.283 120.490 119.600 -0.656 0.000 2.394 436 M HA 0.106 4.585 4.480 -0.000 0.000 0.264 436 M C 1.784 177.955 176.300 -0.214 0.000 1.073 436 M CA 1.715 56.618 55.300 -0.663 0.000 1.111 436 M CB -0.717 31.323 32.600 -0.933 0.000 1.401 436 M HN 0.172 nan 8.290 nan 0.000 0.448 437 G N 0.403 109.134 108.800 -0.115 0.000 2.550 437 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.277 437 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.277 437 G C -0.199 174.674 174.900 -0.045 0.000 1.190 437 G CA -0.252 44.829 45.100 -0.033 0.000 0.971 437 G HN 0.200 nan 8.290 nan 0.000 0.559 438 V N 2.129 122.046 119.914 0.005 0.000 2.313 438 V HA 0.367 4.487 4.120 -0.000 0.000 0.252 438 V C 1.114 177.274 176.094 0.111 0.000 1.112 438 V CA -0.027 62.309 62.300 0.059 0.000 0.984 438 V CB -0.123 31.721 31.823 0.035 0.000 1.157 438 V HN 0.528 nan 8.190 nan 0.000 0.493 439 I N 3.027 123.635 120.570 0.064 0.000 2.754 439 I HA 0.084 4.254 4.170 -0.000 0.000 0.285 439 I C 0.934 177.217 176.117 0.276 0.000 1.166 439 I CA -0.375 60.968 61.300 0.072 0.000 1.417 439 I CB 0.110 37.967 38.000 -0.238 0.000 1.382 439 I HN 0.564 nan 8.210 nan 0.000 0.588 440 H N 4.699 123.837 119.070 0.115 0.000 3.157 440 H HA 0.174 4.730 4.556 -0.000 0.000 0.299 440 H C 0.980 176.308 175.328 -0.001 0.000 0.961 440 H CA 0.990 57.085 56.048 0.080 0.000 1.428 440 H CB 0.094 29.907 29.762 0.084 0.000 1.459 440 H HN 0.773 nan 8.280 nan 0.000 0.566 441 G N 3.777 112.416 108.800 -0.269 0.000 2.195 441 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 441 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 441 G C 0.474 175.339 174.900 -0.057 0.000 0.984 441 G CA 0.334 45.255 45.100 -0.299 0.000 0.633 441 G HN 0.620 nan 8.290 nan 0.000 0.525 442 Y N 1.494 121.869 120.300 0.126 0.000 2.495 442 Y HA 0.262 4.812 4.550 -0.000 0.000 0.293 442 Y C 2.208 178.213 175.900 0.174 0.000 1.186 442 Y CA 0.797 59.046 58.100 0.248 0.000 1.266 442 Y CB 0.407 39.053 38.460 0.309 0.000 1.101 442 Y HN 0.513 nan 8.280 nan 0.000 0.517 443 E N -0.298 119.849 120.200 -0.088 0.000 2.415 443 E HA -0.022 4.328 4.350 -0.000 0.000 0.197 443 E C 1.597 178.096 176.600 -0.168 0.000 1.007 443 E CA 0.519 56.542 56.400 -0.627 0.000 0.890 443 E CB -0.414 28.546 29.700 -1.234 0.000 0.891 443 E HN 0.511 nan 8.360 nan 0.000 0.496 444 I N 2.694 123.264 120.570 0.000 0.000 2.163 444 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 444 I C 2.619 178.772 176.117 0.060 0.000 1.085 444 I CA 2.122 63.473 61.300 0.085 0.000 1.347 444 I CB -0.462 37.631 38.000 0.155 0.000 1.044 444 I HN 0.216 nan 8.210 nan 0.000 0.408 445 E N 0.897 121.099 120.200 0.003 0.000 2.204 445 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 445 E C 2.025 178.487 176.600 -0.230 0.000 0.990 445 E CA 1.445 57.775 56.400 -0.118 0.000 0.821 445 E CB -0.499 29.133 29.700 -0.115 0.000 0.750 445 E HN 0.423 nan 8.360 nan 0.000 0.477 446 F N 1.154 121.006 119.950 -0.164 0.000 2.234 446 F HA -0.030 4.496 4.527 -0.000 0.000 0.296 446 F C 2.350 177.984 175.800 -0.276 0.000 1.089 446 F CA 0.548 58.416 58.000 -0.220 0.000 1.343 446 F CB -0.141 38.772 39.000 -0.145 0.000 1.040 446 F HN -0.134 nan 8.300 nan 0.000 0.498 447 V N -1.099 118.741 119.914 -0.124 0.000 2.515 447 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 447 V C 1.531 177.466 176.094 -0.265 0.000 1.058 447 V CA 1.558 63.659 62.300 -0.332 0.000 1.064 447 V CB -0.619 31.043 31.823 -0.270 0.000 0.675 447 V HN 0.196 nan 8.190 nan 0.000 0.461 448 F N 0.332 120.139 119.950 -0.239 0.000 2.693 448 F HA 0.440 4.967 4.527 -0.000 0.000 0.303 448 F C 1.784 177.483 175.800 -0.169 0.000 1.097 448 F CA 0.428 58.315 58.000 -0.189 0.000 1.330 448 F CB -0.217 38.659 39.000 -0.208 0.000 1.067 448 F HN 0.237 nan 8.300 nan 0.000 0.565 449 G N 0.210 108.926 108.800 -0.140 0.000 2.168 449 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 449 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 449 G C 1.205 175.804 174.900 -0.501 0.000 0.997 449 G CA 0.414 45.354 45.100 -0.267 0.000 0.708 449 G HN 0.262 nan 8.290 nan 0.000 0.520 450 L N -0.021 120.895 121.223 -0.513 0.000 2.129 450 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 450 L C 0.259 176.705 176.870 -0.707 0.000 1.087 450 L CA 2.615 57.097 54.840 -0.596 0.000 0.757 450 L CB -1.945 39.879 42.059 -0.391 0.000 0.896 450 L HN 0.215 nan 8.230 nan 0.000 0.434 451 P HA -0.100 nan 4.420 nan 0.000 0.231 451 P C 1.640 178.674 177.300 -0.443 0.000 1.158 451 P CA 0.675 63.161 63.100 -1.023 0.000 0.763 451 P CB 0.097 31.093 31.700 -1.175 0.000 0.805 452 L N -1.711 119.253 121.223 -0.432 0.000 2.492 452 L HA 0.011 4.351 4.340 -0.000 0.000 0.223 452 L C 1.050 177.772 176.870 -0.247 0.000 1.132 452 L CA 0.715 55.383 54.840 -0.286 0.000 0.850 452 L CB -0.479 41.429 42.059 -0.252 0.000 0.966 452 L HN -0.114 nan 8.230 nan 0.000 0.454 453 V N -0.268 119.459 119.914 -0.311 0.000 2.348 453 V HA 0.192 4.312 4.120 -0.000 0.000 0.270 453 V C 1.441 177.481 176.094 -0.090 0.000 1.037 453 V CA -0.605 61.576 62.300 -0.198 0.000 0.872 453 V CB 0.811 32.486 31.823 -0.247 0.000 1.002 453 V HN 0.178 nan 8.190 nan 0.000 0.464 454 K N 4.428 124.793 120.400 -0.058 0.000 2.052 454 K HA -0.201 4.119 4.320 -0.000 0.000 0.215 454 K C 1.859 178.444 176.600 -0.025 0.000 1.053 454 K CA 2.348 58.618 56.287 -0.029 0.000 0.934 454 K CB -0.248 32.236 32.500 -0.026 0.000 0.717 454 K HN 1.009 nan 8.250 nan 0.000 0.450 455 E N 1.165 121.345 120.200 -0.033 0.000 2.510 455 E HA -0.156 4.194 4.350 -0.000 0.000 0.202 455 E C 1.697 178.268 176.600 -0.049 0.000 1.072 455 E CA 0.675 57.052 56.400 -0.038 0.000 0.883 455 E CB -0.347 29.331 29.700 -0.037 0.000 0.818 455 E HN 0.353 nan 8.360 nan 0.000 0.548 456 L N 0.352 121.554 121.223 -0.034 0.000 2.554 456 L HA 0.077 4.417 4.340 -0.000 0.000 0.226 456 L C 0.148 176.938 176.870 -0.135 0.000 1.137 456 L CA 0.256 55.068 54.840 -0.047 0.000 0.863 456 L CB -0.760 41.346 42.059 0.079 0.000 0.985 456 L HN 0.148 nan 8.230 nan 0.000 0.451 457 N N -1.376 117.280 118.700 -0.074 0.000 2.754 457 N HA -0.234 4.505 4.740 -0.000 0.000 0.248 457 N C -0.570 174.864 175.510 -0.126 0.000 1.093 457 N CA 0.123 53.115 53.050 -0.096 0.000 0.699 457 N CB -1.017 37.394 38.487 -0.126 0.000 1.016 457 N HN 0.258 nan 8.380 nan 0.000 0.552 458 Y N 0.682 120.946 120.300 -0.060 0.000 2.298 458 Y HA 0.204 4.754 4.550 -0.000 0.000 0.329 458 Y C 1.722 177.619 175.900 -0.005 0.000 1.293 458 Y CA 0.034 58.115 58.100 -0.032 0.000 1.388 458 Y CB 0.614 39.016 38.460 -0.096 0.000 1.309 458 Y HN 0.018 nan 8.280 nan 0.000 0.544 459 T N -1.712 112.970 114.554 0.212 0.000 2.828 459 T HA 0.386 4.736 4.350 -0.000 0.000 0.290 459 T C 1.190 175.953 174.700 0.106 0.000 1.019 459 T CA -0.310 61.869 62.100 0.131 0.000 1.031 459 T CB 1.201 70.152 68.868 0.138 0.000 1.001 459 T HN 0.768 nan 8.240 nan 0.000 0.531 460 A N 1.166 124.025 122.820 0.064 0.000 1.933 460 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 460 A C 2.306 179.911 177.584 0.035 0.000 1.175 460 A CA 1.422 53.482 52.037 0.037 0.000 0.628 460 A CB -0.743 18.272 19.000 0.025 0.000 0.814 460 A HN 0.951 nan 8.150 nan 0.000 0.444 461 E N 0.410 120.639 120.200 0.048 0.000 2.274 461 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 461 E C 1.352 177.974 176.600 0.037 0.000 0.996 461 E CA 1.166 57.583 56.400 0.029 0.000 0.840 461 E CB -0.469 29.247 29.700 0.026 0.000 0.772 461 E HN 0.795 nan 8.360 nan 0.000 0.491 462 E N 1.007 121.273 120.200 0.110 0.000 2.158 462 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 462 E C 2.012 178.665 176.600 0.088 0.000 0.982 462 E CA 0.516 57.048 56.400 0.221 0.000 0.823 462 E CB 0.076 30.029 29.700 0.423 0.000 0.766 462 E HN 0.353 nan 8.360 nan 0.000 0.468 463 E N 0.865 121.066 120.200 0.002 0.000 2.072 463 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 463 E C 2.015 178.584 176.600 -0.051 0.000 0.985 463 E CA 0.887 57.239 56.400 -0.080 0.000 0.801 463 E CB 0.008 29.671 29.700 -0.061 0.000 0.750 463 E HN 0.191 nan 8.360 nan 0.000 0.452 464 A N 1.190 123.997 122.820 -0.021 0.000 1.898 464 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 464 A C 2.125 179.693 177.584 -0.027 0.000 1.181 464 A CA 1.194 53.212 52.037 -0.031 0.000 0.620 464 A CB -0.609 18.377 19.000 -0.024 0.000 0.819 464 A HN 0.381 nan 8.150 nan 0.000 0.442 465 L N -0.201 121.027 121.223 0.008 0.000 2.046 465 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 465 L C 2.520 179.436 176.870 0.076 0.000 1.077 465 L CA 2.660 57.513 54.840 0.022 0.000 0.747 465 L CB -0.914 41.139 42.059 -0.009 0.000 0.896 465 L HN 0.322 nan 8.230 nan 0.000 0.432 466 S N -0.632 115.147 115.700 0.133 0.000 2.359 466 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 466 S C 2.181 176.744 174.600 -0.061 0.000 1.035 466 S CA 1.491 59.717 58.200 0.043 0.000 1.018 466 S CB -0.244 62.854 63.200 -0.171 0.000 0.876 466 S HN 0.556 nan 8.310 nan 0.000 0.448 467 R N 0.756 121.212 120.500 -0.073 0.000 2.096 467 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 467 R C 2.645 178.890 176.300 -0.091 0.000 1.127 467 R CA 1.710 57.762 56.100 -0.080 0.000 0.968 467 R CB -0.326 29.924 30.300 -0.083 0.000 0.861 467 R HN 0.602 nan 8.270 nan 0.000 0.440 468 R N 0.364 120.787 120.500 -0.130 0.000 2.119 468 R HA -0.003 4.337 4.340 -0.000 0.000 0.222 468 R C 1.983 178.091 176.300 -0.320 0.000 1.088 468 R CA 1.151 57.087 56.100 -0.274 0.000 0.984 468 R CB -0.428 29.683 30.300 -0.315 0.000 0.884 468 R HN 0.191 nan 8.270 nan 0.000 0.447 469 I N 1.239 121.744 120.570 -0.109 0.000 2.286 469 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 469 I C 2.582 178.667 176.117 -0.053 0.000 1.104 469 I CA 1.319 62.601 61.300 -0.030 0.000 1.397 469 I CB -0.160 37.689 38.000 -0.251 0.000 1.072 469 I HN 0.161 nan 8.210 nan 0.000 0.417 470 M N -0.527 119.007 119.600 -0.110 0.000 2.117 470 M HA -0.258 4.222 4.480 -0.000 0.000 0.262 470 M C 2.429 178.802 176.300 0.121 0.000 1.065 470 M CA 1.777 57.042 55.300 -0.058 0.000 1.114 470 M CB -0.720 31.835 32.600 -0.075 0.000 1.361 470 M HN 0.259 nan 8.290 nan 0.000 0.408 471 H N -0.414 118.654 119.070 -0.002 0.000 2.423 471 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 471 H C 1.546 176.986 175.328 0.186 0.000 1.075 471 H CA 1.834 57.899 56.048 0.029 0.000 1.342 471 H CB 0.020 29.741 29.762 -0.068 0.000 1.395 471 H HN 0.275 nan 8.280 nan 0.000 0.530 472 Y N -0.928 119.537 120.300 0.275 0.000 2.163 472 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 472 Y C 2.520 178.615 175.900 0.326 0.000 1.136 472 Y CA 0.994 59.294 58.100 0.333 0.000 1.147 472 Y CB -1.010 37.840 38.460 0.652 0.000 0.987 472 Y HN 0.356 nan 8.280 nan 0.000 0.509 473 W N -0.428 120.977 121.300 0.176 0.000 2.354 473 W HA -0.233 4.427 4.660 -0.000 0.000 0.315 473 W C 2.597 179.117 176.519 0.001 0.000 1.206 473 W CA 1.231 58.607 57.345 0.052 0.000 1.290 473 W CB -0.553 28.878 29.460 -0.048 0.000 1.152 473 W HN 0.063 nan 8.180 nan 0.000 0.489 474 A N 0.256 123.187 122.820 0.186 0.000 1.858 474 A HA -0.187 4.132 4.320 -0.000 0.000 0.216 474 A C 1.819 179.379 177.584 -0.040 0.000 1.190 474 A CA 2.473 54.528 52.037 0.030 0.000 0.617 474 A CB -1.339 17.668 19.000 0.012 0.000 0.827 474 A HN 0.218 nan 8.150 nan 0.000 0.443 475 T N -0.612 113.872 114.554 -0.117 0.000 2.759 475 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 475 T C 1.601 176.241 174.700 -0.100 0.000 1.042 475 T CA 1.659 63.655 62.100 -0.172 0.000 1.140 475 T CB -0.420 68.278 68.868 -0.285 0.000 0.864 475 T HN 0.494 nan 8.240 nan 0.000 0.455 476 F N 2.274 122.116 119.950 -0.180 0.000 2.134 476 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 476 F C 2.430 178.130 175.800 -0.167 0.000 1.097 476 F CA 0.905 58.761 58.000 -0.239 0.000 1.264 476 F CB -0.724 38.068 39.000 -0.346 0.000 1.001 476 F HN 0.140 nan 8.300 nan 0.000 0.479 477 A N 0.648 123.364 122.820 -0.172 0.000 1.908 477 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 477 A C 2.259 179.701 177.584 -0.237 0.000 1.181 477 A CA 2.089 53.996 52.037 -0.218 0.000 0.627 477 A CB -0.704 18.247 19.000 -0.082 0.000 0.818 477 A HN 0.508 nan 8.150 nan 0.000 0.445 478 K N -1.229 119.066 120.400 -0.175 0.000 2.103 478 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 478 K C 1.867 178.369 176.600 -0.162 0.000 1.052 478 K CA 1.716 57.921 56.287 -0.137 0.000 0.945 478 K CB -0.144 32.300 32.500 -0.093 0.000 0.722 478 K HN 0.718 nan 8.250 nan 0.000 0.443 479 T N -4.676 109.750 114.554 -0.212 0.000 2.958 479 T HA 0.246 4.596 4.350 -0.000 0.000 0.256 479 T C 1.247 175.800 174.700 -0.246 0.000 0.983 479 T CA 0.410 62.399 62.100 -0.185 0.000 0.924 479 T CB 1.050 69.841 68.868 -0.129 0.000 1.136 479 T HN 0.277 nan 8.240 nan 0.000 0.506 480 G N 1.559 110.080 108.800 -0.466 0.000 2.141 480 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.231 480 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.231 480 G C -0.214 174.571 174.900 -0.191 0.000 0.984 480 G CA 0.009 44.777 45.100 -0.554 0.000 0.660 480 G HN 0.849 nan 8.290 nan 0.000 0.525 481 N N -0.214 118.376 118.700 -0.182 0.000 2.519 481 N HA 0.404 5.144 4.740 -0.000 0.000 0.291 481 N C -1.606 173.756 175.510 -0.247 0.000 1.107 481 N CA -1.392 51.530 53.050 -0.213 0.000 0.904 481 N CB 2.422 40.871 38.487 -0.064 0.000 1.500 481 N HN -0.058 nan 8.380 nan 0.000 0.510 482 P HA -0.060 nan 4.420 nan 0.000 0.225 482 P C -0.455 176.875 177.300 0.050 0.000 1.148 482 P CA 0.691 63.670 63.100 -0.202 0.000 0.779 482 P CB 0.352 31.721 31.700 -0.552 0.000 0.780 483 N N 1.232 119.920 118.700 -0.020 0.000 2.509 483 N HA 0.143 4.883 4.740 -0.000 0.000 0.287 483 N C 0.011 175.551 175.510 0.050 0.000 1.121 483 N CA -0.225 52.894 53.050 0.115 0.000 0.977 483 N CB 1.135 39.696 38.487 0.124 0.000 1.167 483 N HN 0.146 nan 8.380 nan 0.000 0.476 484 E N 2.464 122.711 120.200 0.078 0.000 2.130 484 E HA 0.210 4.560 4.350 -0.000 0.000 0.284 484 E C -1.944 174.613 176.600 -0.072 0.000 1.018 484 E CA -1.619 54.785 56.400 0.007 0.000 0.817 484 E CB 0.943 30.688 29.700 0.076 0.000 1.078 484 E HN 0.350 nan 8.360 nan 0.000 0.396 485 P HA -0.159 nan 4.420 nan 0.000 0.269 485 P C -0.275 176.718 177.300 -0.512 0.000 1.205 485 P CA 0.295 63.222 63.100 -0.289 0.000 0.780 485 P CB 0.151 31.656 31.700 -0.326 0.000 0.858 486 H N -1.577 117.530 119.070 0.062 0.000 2.458 486 H HA -0.164 4.392 4.556 -0.000 0.000 0.322 486 H C -0.204 175.160 175.328 0.059 0.000 1.038 486 H CA 0.444 56.525 56.048 0.056 0.000 1.120 486 H CB -2.707 27.081 29.762 0.044 0.000 1.489 486 H HN 0.455 nan 8.280 nan 0.000 0.399 487 S N -2.363 113.414 115.700 0.128 0.000 2.745 487 S HA 0.455 4.925 4.470 -0.000 0.000 0.292 487 S C 1.116 175.788 174.600 0.119 0.000 1.133 487 S CA -0.395 57.886 58.200 0.134 0.000 0.998 487 S CB 2.200 65.462 63.200 0.103 0.000 1.087 487 S HN 0.307 nan 8.310 nan 0.000 0.551 488 Q N 0.374 120.234 119.800 0.101 0.000 2.134 488 Q HA 0.278 4.617 4.340 -0.000 0.000 0.195 488 Q C -0.093 175.959 176.000 0.086 0.000 0.958 488 Q CA 0.931 56.784 55.803 0.084 0.000 0.840 488 Q CB -0.498 28.279 28.738 0.065 0.000 0.918 488 Q HN 0.809 nan 8.270 nan 0.000 0.467 489 E N 0.935 121.189 120.200 0.091 0.000 2.492 489 E HA 0.021 4.371 4.350 -0.000 0.000 0.266 489 E C -0.267 176.409 176.600 0.127 0.000 1.047 489 E CA 0.321 56.782 56.400 0.101 0.000 0.968 489 E CB 0.270 30.036 29.700 0.110 0.000 0.960 489 E HN 0.221 nan 8.360 nan 0.000 0.452 490 S N 2.172 117.946 115.700 0.124 0.000 2.558 490 S HA 0.030 4.500 4.470 -0.000 0.000 0.287 490 S C -0.045 174.667 174.600 0.187 0.000 1.321 490 S CA -0.439 57.839 58.200 0.129 0.000 1.048 490 S CB 0.504 63.766 63.200 0.103 0.000 0.844 490 S HN 0.223 nan 8.310 nan 0.000 0.512 491 K N 1.554 122.060 120.400 0.176 0.000 2.183 491 K HA 0.166 4.486 4.320 -0.000 0.000 0.274 491 K C -0.524 176.249 176.600 0.289 0.000 1.009 491 K CA -0.385 56.039 56.287 0.229 0.000 0.888 491 K CB 0.893 33.503 32.500 0.184 0.000 1.078 491 K HN 0.846 nan 8.250 nan 0.000 0.459 492 W N 7.314 128.678 121.300 0.106 0.000 2.437 492 W HA 0.160 4.820 4.660 -0.000 0.000 0.312 492 W C -2.285 174.358 176.519 0.207 0.000 1.242 492 W CA -2.415 54.986 57.345 0.095 0.000 1.340 492 W CB -0.007 29.419 29.460 -0.056 0.000 1.327 492 W HN 0.378 nan 8.180 nan 0.000 0.476 493 P HA 0.134 nan 4.420 nan 0.000 0.277 493 P C -0.259 177.221 177.300 0.299 0.000 1.240 493 P CA -0.266 63.046 63.100 0.354 0.000 0.798 493 P CB 1.650 33.481 31.700 0.217 0.000 0.979 494 L N 2.036 123.288 121.223 0.049 0.000 2.456 494 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 494 L C 0.869 177.717 176.870 -0.037 0.000 1.189 494 L CA -0.512 54.172 54.840 -0.260 0.000 0.846 494 L CB -0.170 41.741 42.059 -0.247 0.000 1.111 494 L HN 0.353 nan 8.230 nan 0.000 0.475 495 F N 2.876 122.721 119.950 -0.174 0.000 2.445 495 F HA 0.294 4.821 4.527 -0.000 0.000 0.359 495 F C 0.471 176.244 175.800 -0.045 0.000 1.101 495 F CA -0.550 57.439 58.000 -0.018 0.000 1.177 495 F CB 0.793 39.809 39.000 0.027 0.000 1.110 495 F HN 0.454 nan 8.300 nan 0.000 0.522 496 T N 1.179 115.448 114.554 -0.474 0.000 2.912 496 T HA 0.181 4.531 4.350 -0.000 0.000 0.288 496 T C 0.923 175.346 174.700 -0.463 0.000 1.030 496 T CA -0.119 61.800 62.100 -0.303 0.000 1.020 496 T CB 1.506 70.262 68.868 -0.187 0.000 1.056 496 T HN 0.664 nan 8.240 nan 0.000 0.480 497 T N 0.069 114.508 114.554 -0.191 0.000 2.849 497 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 497 T C 1.550 176.159 174.700 -0.153 0.000 1.066 497 T CA 1.913 63.939 62.100 -0.123 0.000 1.130 497 T CB -0.472 68.366 68.868 -0.050 0.000 0.864 497 T HN 0.750 nan 8.240 nan 0.000 0.481 498 K N -0.325 119.981 120.400 -0.158 0.000 2.099 498 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 498 K C 2.141 178.661 176.600 -0.133 0.000 1.047 498 K CA 1.123 57.340 56.287 -0.116 0.000 0.963 498 K CB 0.065 32.514 32.500 -0.085 0.000 0.759 498 K HN 0.383 nan 8.250 nan 0.000 0.451 499 E N 0.366 120.459 120.200 -0.180 0.000 2.400 499 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 499 E C -0.549 175.921 176.600 -0.216 0.000 1.012 499 E CA -0.061 56.248 56.400 -0.151 0.000 0.875 499 E CB 0.523 30.158 29.700 -0.109 0.000 0.859 499 E HN 0.228 nan 8.360 nan 0.000 0.498 500 Q N 1.251 120.748 119.800 -0.504 0.000 2.431 500 Q HA -0.230 4.110 4.340 -0.000 0.000 0.344 500 Q C -0.852 175.038 176.000 -0.183 0.000 1.384 500 Q CA 0.597 55.889 55.803 -0.853 0.000 0.984 500 Q CB -1.329 27.216 28.738 -0.321 0.000 1.204 500 Q HN 0.194 nan 8.270 nan 0.000 0.392 501 K N 0.734 121.079 120.400 -0.091 0.000 2.154 501 K HA 0.617 4.937 4.320 -0.000 0.000 0.264 501 K C -0.035 176.878 176.600 0.523 0.000 1.008 501 K CA -0.111 56.285 56.287 0.183 0.000 0.937 501 K CB 0.580 33.133 32.500 0.090 0.000 1.002 501 K HN 0.264 nan 8.250 nan 0.000 0.469 502 F N -0.124 120.003 119.950 0.295 0.000 2.693 502 F HA 0.549 5.076 4.527 -0.000 0.000 0.309 502 F C -1.233 174.679 175.800 0.186 0.000 1.129 502 F CA -1.461 56.743 58.000 0.341 0.000 0.948 502 F CB 0.771 39.983 39.000 0.353 0.000 1.315 502 F HN 0.428 nan 8.300 nan 0.000 0.447 503 I N -0.307 120.368 120.570 0.176 0.000 2.797 503 I HA 0.638 4.808 4.170 -0.000 0.000 0.307 503 I C -0.968 175.260 176.117 0.185 0.000 1.033 503 I CA -0.813 60.424 61.300 -0.105 0.000 1.071 503 I CB 1.876 39.619 38.000 -0.428 0.000 1.255 503 I HN 0.477 nan 8.210 nan 0.000 0.445 504 D N 3.382 123.872 120.400 0.150 0.000 2.329 504 D HA 0.426 5.066 4.640 -0.000 0.000 0.246 504 D C -0.870 175.509 176.300 0.132 0.000 1.111 504 D CA 0.038 54.235 54.000 0.329 0.000 0.941 504 D CB 2.157 43.147 40.800 0.318 0.000 1.169 504 D HN 0.259 nan 8.370 nan 0.000 0.441 505 L N 2.792 124.095 121.223 0.134 0.000 2.366 505 L HA 0.269 4.609 4.340 -0.000 0.000 0.266 505 L C -0.705 176.088 176.870 -0.127 0.000 1.010 505 L CA -0.381 54.485 54.840 0.043 0.000 0.879 505 L CB 0.040 42.200 42.059 0.169 0.000 1.228 505 L HN 0.472 nan 8.230 nan 0.000 0.439 506 N N -0.476 118.156 118.700 -0.115 0.000 3.439 506 N HA 0.348 5.088 4.740 -0.000 0.000 0.313 506 N C 0.425 175.832 175.510 -0.172 0.000 1.598 506 N CA -0.084 52.841 53.050 -0.209 0.000 0.830 506 N CB 0.349 38.769 38.487 -0.111 0.000 1.849 506 N HN 0.064 nan 8.380 nan 0.000 0.598 507 T N -3.468 110.962 114.554 -0.206 0.000 3.113 507 T HA 0.163 4.513 4.350 -0.000 0.000 0.256 507 T C 0.042 174.714 174.700 -0.046 0.000 1.131 507 T CA 0.451 62.469 62.100 -0.138 0.000 1.074 507 T CB -0.474 68.308 68.868 -0.145 0.000 0.944 507 T HN 0.499 nan 8.240 nan 0.000 0.516 508 E N 1.856 122.043 120.200 -0.022 0.000 2.280 508 E HA 0.394 4.743 4.350 -0.000 0.000 0.261 508 E C -2.515 174.088 176.600 0.005 0.000 1.088 508 E CA -2.523 53.879 56.400 0.004 0.000 0.915 508 E CB 0.259 29.971 29.700 0.021 0.000 1.141 508 E HN 0.153 nan 8.360 nan 0.000 0.433 509 P HA -0.082 nan 4.420 nan 0.000 0.268 509 P C -0.444 176.859 177.300 0.005 0.000 1.208 509 P CA 0.243 63.350 63.100 0.013 0.000 0.777 509 P CB 0.409 32.117 31.700 0.013 0.000 0.875 510 M N 2.337 121.943 119.600 0.009 0.000 2.252 510 M HA 0.034 4.514 4.480 -0.000 0.000 0.329 510 M C -0.353 175.906 176.300 -0.068 0.000 1.101 510 M CA 1.077 56.365 55.300 -0.019 0.000 1.117 510 M CB 0.105 32.709 32.600 0.007 0.000 1.563 510 M HN 0.194 nan 8.290 nan 0.000 0.445 511 K N 3.430 123.744 120.400 -0.143 0.000 2.468 511 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 511 K C -1.687 174.626 176.600 -0.478 0.000 0.932 511 K CA -0.875 55.243 56.287 -0.283 0.000 0.794 511 K CB 2.533 34.853 32.500 -0.300 0.000 1.241 511 K HN 0.474 nan 8.250 nan 0.000 0.428 512 V N 4.086 123.718 119.914 -0.471 0.000 2.427 512 V HA 0.319 4.438 4.120 -0.000 0.000 0.286 512 V C -0.117 175.590 176.094 -0.646 0.000 1.034 512 V CA -0.580 61.448 62.300 -0.453 0.000 0.893 512 V CB 1.047 32.752 31.823 -0.197 0.000 0.982 512 V HN 0.702 nan 8.190 nan 0.000 0.452 513 H N 3.093 121.831 119.070 -0.553 0.000 2.896 513 H HA 0.699 5.254 4.556 -0.000 0.000 0.318 513 H C -0.911 174.165 175.328 -0.420 0.000 1.409 513 H CA -0.860 54.819 56.048 -0.615 0.000 1.328 513 H CB 1.954 31.054 29.762 -1.103 0.000 1.940 513 H HN 0.567 nan 8.280 nan 0.000 0.665 514 Q N 0.290 120.116 119.800 0.044 0.000 2.340 514 Q HA 0.332 4.672 4.340 -0.000 0.000 0.276 514 Q C -0.726 175.480 176.000 0.344 0.000 1.048 514 Q CA -0.799 55.129 55.803 0.208 0.000 0.832 514 Q CB 2.942 31.730 28.738 0.084 0.000 1.373 514 Q HN 0.503 nan 8.270 nan 0.000 0.409 515 R N 0.947 121.665 120.500 0.363 0.000 3.201 515 R HA -0.190 4.150 4.340 -0.000 0.000 0.254 515 R C -0.451 175.993 176.300 0.239 0.000 0.978 515 R CA -0.122 56.139 56.100 0.268 0.000 0.661 515 R CB -1.537 28.860 30.300 0.161 0.000 1.170 515 R HN 0.530 nan 8.270 nan 0.000 0.430 516 L N 2.298 123.618 121.223 0.161 0.000 2.737 516 L HA -0.071 4.269 4.340 -0.000 0.000 0.275 516 L C 0.857 177.688 176.870 -0.065 0.000 1.179 516 L CA 0.926 55.630 54.840 -0.226 0.000 0.970 516 L CB -0.431 41.155 42.059 -0.789 0.000 1.268 516 L HN 0.441 nan 8.230 nan 0.000 0.485 517 R N 2.122 122.600 120.500 -0.036 0.000 3.301 517 R HA -0.197 4.143 4.340 -0.000 0.000 0.249 517 R C 1.282 177.639 176.300 0.095 0.000 0.964 517 R CA 0.620 56.742 56.100 0.037 0.000 0.653 517 R CB -2.052 28.286 30.300 0.063 0.000 1.043 517 R HN 0.777 nan 8.270 nan 0.000 0.454 518 V N -3.102 116.868 119.914 0.095 0.000 2.332 518 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 518 V C 2.281 178.444 176.094 0.115 0.000 1.055 518 V CA 2.092 64.460 62.300 0.114 0.000 1.038 518 V CB -0.445 31.439 31.823 0.102 0.000 0.651 518 V HN 0.333 nan 8.190 nan 0.000 0.450 519 Q N -0.043 119.805 119.800 0.081 0.000 1.985 519 Q HA -0.189 4.151 4.340 -0.000 0.000 0.207 519 Q C 2.219 178.273 176.000 0.090 0.000 0.996 519 Q CA 2.495 58.331 55.803 0.055 0.000 0.851 519 Q CB -0.465 28.275 28.738 0.003 0.000 0.921 519 Q HN 0.553 nan 8.270 nan 0.000 0.418 520 M N -0.887 118.783 119.600 0.116 0.000 2.117 520 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 520 M C 2.464 179.031 176.300 0.444 0.000 1.065 520 M CA 1.117 56.550 55.300 0.222 0.000 1.114 520 M CB -1.409 31.392 32.600 0.335 0.000 1.361 520 M HN 0.354 nan 8.290 nan 0.000 0.408 521 c N -0.291 118.539 118.600 0.384 0.000 2.419 521 c HA -0.061 4.508 4.570 -0.000 0.000 0.281 521 c C 2.974 177.253 174.090 0.315 0.000 1.336 521 c CA 0.349 56.916 56.329 0.396 0.000 1.770 521 c CB -0.987 41.682 42.510 0.265 0.000 1.929 521 c HN 0.342 nan 8.230 nan 0.000 0.509 522 V N 0.375 120.432 119.914 0.239 0.000 2.427 522 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 522 V C 2.032 178.250 176.094 0.207 0.000 1.051 522 V CA 2.176 64.588 62.300 0.187 0.000 1.048 522 V CB -0.778 31.126 31.823 0.135 0.000 0.666 522 V HN 0.574 nan 8.190 nan 0.000 0.456 523 F N -0.093 119.891 119.950 0.057 0.000 2.102 523 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 523 F C 1.989 177.775 175.800 -0.024 0.000 1.105 523 F CA 1.796 59.782 58.000 -0.023 0.000 1.239 523 F CB -0.374 38.493 39.000 -0.221 0.000 0.991 523 F HN 0.166 nan 8.300 nan 0.000 0.474 524 W N 0.604 122.039 121.300 0.225 0.000 2.418 524 W HA -0.111 4.549 4.660 -0.000 0.000 0.292 524 W C 2.145 178.653 176.519 -0.020 0.000 1.213 524 W CA 0.894 58.289 57.345 0.084 0.000 1.283 524 W CB -0.501 29.105 29.460 0.244 0.000 1.119 524 W HN -0.035 nan 8.180 nan 0.000 0.542 525 N N -0.615 118.218 118.700 0.222 0.000 2.395 525 N HA -0.029 4.711 4.740 -0.000 0.000 0.175 525 N C 1.395 176.908 175.510 0.005 0.000 1.029 525 N CA 0.968 54.053 53.050 0.058 0.000 0.897 525 N CB -0.132 38.394 38.487 0.064 0.000 0.991 525 N HN 0.385 nan 8.380 nan 0.000 0.441 526 Q N -1.030 118.793 119.800 0.039 0.000 2.622 526 Q HA 0.192 4.532 4.340 -0.000 0.000 0.208 526 Q C 1.297 177.301 176.000 0.007 0.000 0.911 526 Q CA -0.106 55.718 55.803 0.035 0.000 0.893 526 Q CB 0.012 28.803 28.738 0.087 0.000 1.124 526 Q HN 0.105 nan 8.270 nan 0.000 0.634 527 F N 1.781 121.637 119.950 -0.156 0.000 2.084 527 F HA -0.184 4.343 4.527 -0.000 0.000 0.296 527 F C 1.980 177.581 175.800 -0.332 0.000 1.111 527 F CA 0.994 58.864 58.000 -0.218 0.000 1.224 527 F CB -0.321 38.558 39.000 -0.202 0.000 0.991 527 F HN 0.049 nan 8.300 nan 0.000 0.471 528 L N 1.110 121.922 121.223 -0.685 0.000 2.012 528 L HA -0.109 4.230 4.340 -0.000 0.000 0.210 528 L C -0.780 175.818 176.870 -0.453 0.000 1.073 528 L CA 2.254 56.644 54.840 -0.750 0.000 0.748 528 L CB -1.990 39.596 42.059 -0.788 0.000 0.891 528 L HN 0.003 nan 8.230 nan 0.000 0.431 529 P HA -0.199 nan 4.420 nan 0.000 0.215 529 P C 1.416 178.598 177.300 -0.198 0.000 1.153 529 P CA 1.746 64.746 63.100 -0.167 0.000 0.853 529 P CB -0.056 31.582 31.700 -0.103 0.000 0.788 530 K N -0.695 119.559 120.400 -0.244 0.000 2.097 530 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 530 K C 2.115 178.547 176.600 -0.281 0.000 1.049 530 K CA 1.063 57.218 56.287 -0.219 0.000 0.933 530 K CB -0.865 31.524 32.500 -0.186 0.000 0.717 530 K HN 0.175 nan 8.250 nan 0.000 0.442 531 L N 1.180 122.121 121.223 -0.471 0.000 2.056 531 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 531 L C 2.022 178.739 176.870 -0.256 0.000 1.078 531 L CA 1.208 55.787 54.840 -0.435 0.000 0.749 531 L CB -0.085 41.575 42.059 -0.665 0.000 0.901 531 L HN 0.144 nan 8.230 nan 0.000 0.433 532 L N -0.067 121.016 121.223 -0.233 0.000 2.291 532 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 532 L C 1.965 178.775 176.870 -0.100 0.000 1.120 532 L CA 0.984 55.737 54.840 -0.146 0.000 0.799 532 L CB -0.610 41.379 42.059 -0.117 0.000 0.925 532 L HN 0.390 nan 8.230 nan 0.000 0.446 533 N N 0.271 118.907 118.700 -0.107 0.000 2.515 533 N HA 0.014 4.754 4.740 -0.000 0.000 0.185 533 N C 0.571 176.042 175.510 -0.065 0.000 1.109 533 N CA 0.455 53.461 53.050 -0.072 0.000 0.903 533 N CB 0.249 38.694 38.487 -0.069 0.000 0.969 533 N HN 0.274 nan 8.380 nan 0.000 0.450 534 A N -1.309 121.462 122.820 -0.081 0.000 2.246 534 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 534 A C 0.392 177.947 177.584 -0.049 0.000 1.103 534 A CA -0.116 51.883 52.037 -0.062 0.000 0.844 534 A CB 0.682 19.638 19.000 -0.073 0.000 1.136 534 A HN 0.237 nan 8.150 nan 0.000 0.500 535 T N 0.000 114.532 114.554 -0.036 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.084 62.100 -0.028 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658