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 1v6v_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 2 E N -0.710 119.479 120.200 -0.018 0.000 2.597 2 E HA 0.058 4.409 4.350 0.001 0.000 0.150 2 E C 0.596 177.180 176.600 -0.026 0.000 0.871 2 E CA 0.796 57.179 56.400 -0.027 0.000 1.364 2 E CB -0.681 29.004 29.700 -0.026 0.000 1.061 2 E HN 0.533 nan 8.360 nan 0.000 0.514 3 S N 0.312 116.004 115.700 -0.013 0.000 2.517 3 S HA 0.089 4.560 4.470 0.001 0.000 0.214 3 S C 0.951 175.570 174.600 0.031 0.000 0.991 3 S CA 0.579 58.783 58.200 0.007 0.000 0.906 3 S CB 0.124 63.328 63.200 0.007 0.000 0.789 3 S HN 0.357 nan 8.310 nan 0.000 0.513 4 T N -1.240 113.313 114.554 -0.001 0.000 2.916 4 T HA 0.641 4.991 4.350 0.001 0.000 0.292 4 T C 0.905 175.549 174.700 -0.093 0.000 1.055 4 T CA -0.957 61.143 62.100 -0.000 0.000 1.009 4 T CB 1.188 70.043 68.868 -0.021 0.000 1.118 4 T HN 0.014 nan 8.240 nan 0.000 0.497 5 L N 1.202 122.313 121.223 -0.186 0.000 2.012 5 L HA 0.058 4.398 4.340 0.001 0.000 0.210 5 L C 2.990 179.796 176.870 -0.106 0.000 1.073 5 L CA 1.935 56.559 54.840 -0.361 0.000 0.748 5 L CB -1.131 40.506 42.059 -0.703 0.000 0.891 5 L HN 0.983 nan 8.230 nan 0.000 0.431 6 G N -0.394 108.413 108.800 0.011 0.000 2.421 6 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 6 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 6 G C 1.782 176.733 174.900 0.085 0.000 1.171 6 G CA 0.873 46.059 45.100 0.143 0.000 0.775 6 G HN 0.470 nan 8.290 nan 0.000 0.543 7 A N 1.135 123.971 122.820 0.026 0.000 1.902 7 A HA 0.239 4.559 4.320 0.001 0.000 0.217 7 A C 2.818 180.407 177.584 0.008 0.000 1.181 7 A CA 2.358 54.404 52.037 0.015 0.000 0.623 7 A CB -0.794 18.203 19.000 -0.004 0.000 0.818 7 A HN 0.815 nan 8.150 nan 0.000 0.443 8 A N -0.193 122.617 122.820 -0.017 0.000 1.902 8 A HA 0.176 4.496 4.320 0.001 0.000 0.217 8 A C 2.504 180.090 177.584 0.003 0.000 1.181 8 A CA 2.056 54.076 52.037 -0.029 0.000 0.623 8 A CB -1.001 17.948 19.000 -0.084 0.000 0.818 8 A HN 1.063 nan 8.150 nan 0.000 0.443 9 A N -0.143 122.703 122.820 0.043 0.000 1.933 9 A HA 0.185 4.506 4.320 0.001 0.000 0.218 9 A C 2.455 180.078 177.584 0.065 0.000 1.175 9 A CA 1.906 53.993 52.037 0.084 0.000 0.628 9 A CB -0.957 18.157 19.000 0.189 0.000 0.814 9 A HN 1.094 nan 8.150 nan 0.000 0.444 10 A N -0.653 122.210 122.820 0.072 0.000 2.024 10 A HA -0.226 4.094 4.320 0.001 0.000 0.220 10 A C 2.019 179.625 177.584 0.036 0.000 1.164 10 A CA 1.626 53.700 52.037 0.062 0.000 0.643 10 A CB -0.555 18.480 19.000 0.059 0.000 0.806 10 A HN 0.673 nan 8.150 nan 0.000 0.451 11 Q N -0.032 119.781 119.800 0.023 0.000 2.234 11 Q HA -0.132 4.209 4.340 0.001 0.000 0.206 11 Q C 1.788 177.793 176.000 0.010 0.000 0.980 11 Q CA 1.640 57.449 55.803 0.011 0.000 0.869 11 Q CB -0.163 28.576 28.738 0.001 0.000 0.912 11 Q HN 0.822 nan 8.270 nan 0.000 0.436 12 S N -2.064 113.643 115.700 0.012 0.000 2.568 12 S HA 0.367 4.837 4.470 0.001 0.000 0.232 12 S C 1.050 175.657 174.600 0.011 0.000 0.975 12 S CA 0.068 58.271 58.200 0.006 0.000 0.949 12 S CB 0.972 64.171 63.200 -0.002 0.000 0.829 12 S HN 0.442 nan 8.310 nan 0.000 0.479 13 G N 1.351 110.165 108.800 0.024 0.000 2.143 13 G HA2 -0.255 3.705 3.960 0.001 0.000 0.248 13 G HA3 -0.255 3.705 3.960 0.001 0.000 0.248 13 G C 0.103 175.029 174.900 0.044 0.000 0.991 13 G CA 0.118 45.239 45.100 0.035 0.000 0.689 13 G HN 0.612 nan 8.290 nan 0.000 0.522 14 R N -1.186 119.333 120.500 0.033 0.000 2.810 14 R HA 0.760 5.101 4.340 0.001 0.000 0.245 14 R C 0.019 176.372 176.300 0.088 0.000 1.168 14 R CA -0.592 55.503 56.100 -0.009 0.000 1.096 14 R CB 0.811 31.058 30.300 -0.088 0.000 1.259 14 R HN 0.500 nan 8.270 nan 0.000 0.518 15 Y N -1.708 118.642 120.300 0.084 0.000 2.602 15 Y HA 0.685 5.236 4.550 0.001 0.000 0.342 15 Y C -1.344 174.659 175.900 0.171 0.000 1.029 15 Y CA -1.729 56.441 58.100 0.116 0.000 1.080 15 Y CB 1.187 39.691 38.460 0.073 0.000 1.284 15 Y HN 0.422 nan 8.280 nan 0.000 0.485 16 F N 1.455 121.644 119.950 0.398 0.000 2.612 16 F HA 0.782 5.309 4.527 0.001 0.000 0.332 16 F C -0.065 176.057 175.800 0.538 0.000 1.167 16 F CA -0.691 57.537 58.000 0.380 0.000 0.970 16 F CB 1.508 40.656 39.000 0.247 0.000 1.234 16 F HN 0.959 nan 8.300 nan 0.000 0.453 17 G N 2.049 111.063 108.800 0.356 0.000 3.013 17 G HA2 0.637 4.598 3.960 0.001 0.000 0.278 17 G HA3 0.637 4.598 3.960 0.001 0.000 0.278 17 G C -1.316 173.463 174.900 -0.201 0.000 1.353 17 G CA -0.656 44.574 45.100 0.218 0.000 1.043 17 G HN 0.624 nan 8.290 nan 0.000 0.523 18 T N -2.084 112.176 114.554 -0.489 0.000 2.778 18 T HA 0.645 4.996 4.350 0.001 0.000 0.293 18 T C -1.118 173.328 174.700 -0.423 0.000 1.144 18 T CA 0.185 61.883 62.100 -0.670 0.000 1.010 18 T CB 1.364 69.390 68.868 -1.404 0.000 1.325 18 T HN 1.270 nan 8.240 nan 0.000 0.515 19 A N 2.359 124.886 122.820 -0.488 0.000 2.276 19 A HA 0.723 5.043 4.320 0.001 0.000 0.316 19 A C -0.536 176.784 177.584 -0.441 0.000 1.229 19 A CA -0.601 51.058 52.037 -0.629 0.000 0.851 19 A CB 0.133 18.306 19.000 -1.379 0.000 1.165 19 A HN 0.645 nan 8.150 nan 0.000 0.513 20 I N 1.588 121.972 120.570 -0.310 0.000 2.460 20 I HA 0.568 4.739 4.170 0.001 0.000 0.298 20 I C 0.469 176.485 176.117 -0.168 0.000 0.989 20 I CA -0.325 60.865 61.300 -0.183 0.000 1.173 20 I CB 1.577 39.471 38.000 -0.176 0.000 1.338 20 I HN 0.708 nan 8.210 nan 0.000 0.456 21 A N 3.654 126.389 122.820 -0.141 0.000 2.311 21 A HA 0.441 4.761 4.320 0.001 0.000 0.306 21 A C 0.854 178.313 177.584 -0.208 0.000 1.189 21 A CA -0.246 51.685 52.037 -0.176 0.000 0.791 21 A CB 0.938 19.810 19.000 -0.212 0.000 1.172 21 A HN 0.821 nan 8.150 nan 0.000 0.481 22 S N 2.375 117.994 115.700 -0.136 0.000 2.419 22 S HA -0.120 4.350 4.470 0.001 0.000 0.235 22 S C 1.710 176.218 174.600 -0.153 0.000 1.019 22 S CA 1.792 59.916 58.200 -0.127 0.000 0.982 22 S CB -0.496 62.684 63.200 -0.035 0.000 0.789 22 S HN 1.300 nan 8.310 nan 0.000 0.490 23 G N 1.107 109.813 108.800 -0.157 0.000 2.559 23 G HA2 -0.035 3.926 3.960 0.001 0.000 0.216 23 G HA3 -0.035 3.926 3.960 0.001 0.000 0.216 23 G C 1.398 176.157 174.900 -0.236 0.000 1.126 23 G CA 0.388 45.395 45.100 -0.156 0.000 0.778 23 G HN 0.634 nan 8.290 nan 0.000 0.543 24 K N -0.347 119.819 120.400 -0.390 0.000 2.358 24 K HA 0.345 4.665 4.320 0.001 0.000 0.197 24 K C 1.789 178.128 176.600 -0.436 0.000 1.025 24 K CA -0.331 55.597 56.287 -0.598 0.000 1.104 24 K CB 0.276 31.981 32.500 -1.325 0.000 0.855 24 K HN 0.213 nan 8.250 nan 0.000 0.531 25 L N 0.234 121.282 121.223 -0.291 0.000 2.456 25 L HA -0.059 4.281 4.340 0.001 0.000 0.224 25 L C 1.942 178.764 176.870 -0.079 0.000 1.148 25 L CA 0.957 55.671 54.840 -0.211 0.000 0.825 25 L CB -0.271 41.625 42.059 -0.272 0.000 0.937 25 L HN 0.296 nan 8.230 nan 0.000 0.450 26 G N -1.750 107.001 108.800 -0.081 0.000 2.939 26 G HA2 -0.118 3.842 3.960 0.001 0.000 0.210 26 G HA3 -0.118 3.842 3.960 0.001 0.000 0.210 26 G C 0.302 175.191 174.900 -0.020 0.000 1.160 26 G CA -0.185 44.897 45.100 -0.030 0.000 0.770 26 G HN 0.149 nan 8.290 nan 0.000 0.543 27 D N 1.155 121.533 120.400 -0.037 0.000 2.380 27 D HA 0.164 4.805 4.640 0.001 0.000 0.230 27 D C 1.916 178.249 176.300 0.056 0.000 1.154 27 D CA 0.108 54.104 54.000 -0.007 0.000 0.859 27 D CB 1.253 42.023 40.800 -0.050 0.000 1.045 27 D HN 0.129 nan 8.370 nan 0.000 0.495 28 S N 3.180 118.907 115.700 0.045 0.000 2.400 28 S HA -0.228 4.242 4.470 0.001 0.000 0.232 28 S C 1.992 176.623 174.600 0.053 0.000 1.025 28 S CA 0.988 59.221 58.200 0.055 0.000 0.993 28 S CB -0.205 63.017 63.200 0.037 0.000 0.808 28 S HN 0.458 nan 8.310 nan 0.000 0.478 29 A N 0.612 123.461 122.820 0.048 0.000 1.933 29 A HA -0.002 4.319 4.320 0.001 0.000 0.218 29 A C 2.048 179.657 177.584 0.041 0.000 1.175 29 A CA 1.455 53.511 52.037 0.032 0.000 0.628 29 A CB -1.139 17.880 19.000 0.032 0.000 0.814 29 A HN 0.667 nan 8.150 nan 0.000 0.444 30 Y N 1.622 121.880 120.300 -0.070 0.000 2.133 30 Y HA -0.204 4.347 4.550 0.001 0.000 0.287 30 Y C 2.940 178.789 175.900 -0.085 0.000 1.134 30 Y CA 2.628 60.669 58.100 -0.100 0.000 1.133 30 Y CB -0.594 37.792 38.460 -0.123 0.000 0.987 30 Y HN 0.427 nan 8.280 nan 0.000 0.502 31 T N -3.632 110.974 114.554 0.087 0.000 2.915 31 T HA -0.136 4.215 4.350 0.001 0.000 0.269 31 T C 1.789 176.551 174.700 0.102 0.000 1.071 31 T CA 1.624 63.780 62.100 0.094 0.000 1.132 31 T CB -0.987 68.015 68.868 0.223 0.000 0.878 31 T HN 0.323 nan 8.240 nan 0.000 0.479 32 T N 2.141 116.715 114.554 0.033 0.000 2.746 32 T HA 0.077 4.427 4.350 0.001 0.000 0.267 32 T C 1.860 176.520 174.700 -0.066 0.000 1.039 32 T CA 1.402 63.503 62.100 0.000 0.000 1.142 32 T CB -0.404 68.454 68.868 -0.017 0.000 0.866 32 T HN 0.426 nan 8.240 nan 0.000 0.444 33 I N 1.078 121.549 120.570 -0.165 0.000 2.193 33 I HA -0.102 4.068 4.170 0.001 0.000 0.240 33 I C 2.960 178.947 176.117 -0.216 0.000 1.084 33 I CA 1.039 62.144 61.300 -0.325 0.000 1.365 33 I CB -0.539 37.092 38.000 -0.614 0.000 1.064 33 I HN 0.167 nan 8.210 nan 0.000 0.410 34 A N 1.035 123.782 122.820 -0.121 0.000 1.908 34 A HA -0.248 4.072 4.320 0.001 0.000 0.218 34 A C 2.505 180.325 177.584 0.393 0.000 1.181 34 A CA 2.480 54.635 52.037 0.196 0.000 0.627 34 A CB -0.955 17.977 19.000 -0.113 0.000 0.818 34 A HN 0.546 nan 8.150 nan 0.000 0.445 35 S N -0.514 115.388 115.700 0.337 0.000 2.402 35 S HA -0.170 4.301 4.470 0.001 0.000 0.229 35 S C 2.031 176.640 174.600 0.015 0.000 1.021 35 S CA 1.219 59.504 58.200 0.141 0.000 0.974 35 S CB -0.381 62.868 63.200 0.081 0.000 0.800 35 S HN 0.654 nan 8.310 nan 0.000 0.484 36 R N 1.055 121.546 120.500 -0.013 0.000 2.062 36 R HA 0.053 4.394 4.340 0.001 0.000 0.226 36 R C 1.827 178.060 176.300 -0.110 0.000 1.125 36 R CA 1.263 57.325 56.100 -0.063 0.000 0.966 36 R CB -0.075 30.181 30.300 -0.072 0.000 0.861 36 R HN 0.366 nan 8.270 nan 0.000 0.433 37 E N -0.322 119.730 120.200 -0.248 0.000 2.318 37 E HA 0.013 4.364 4.350 0.001 0.000 0.193 37 E C -0.255 176.007 176.600 -0.564 0.000 0.998 37 E CA 0.501 56.614 56.400 -0.479 0.000 0.859 37 E CB 0.271 29.506 29.700 -0.775 0.000 0.812 37 E HN 0.148 nan 8.360 nan 0.000 0.492 38 F N 1.427 121.464 119.950 0.145 0.000 2.522 38 F HA 0.254 4.781 4.527 0.001 0.000 0.324 38 F C 0.857 176.724 175.800 0.112 0.000 1.077 38 F CA -1.232 56.880 58.000 0.187 0.000 0.944 38 F CB 0.939 40.056 39.000 0.195 0.000 1.175 38 F HN -0.190 nan 8.300 nan 0.000 0.468 39 N N 0.900 119.786 118.700 0.310 0.000 2.291 39 N HA 0.369 5.109 4.740 0.001 0.000 0.244 39 N C -0.772 174.789 175.510 0.086 0.000 1.216 39 N CA -0.127 53.014 53.050 0.152 0.000 0.879 39 N CB 0.810 39.372 38.487 0.124 0.000 1.167 39 N HN 0.588 nan 8.380 nan 0.000 0.515 40 M N 0.285 119.944 119.600 0.100 0.000 2.371 40 M HA 0.550 5.031 4.480 0.001 0.000 0.287 40 M C -2.265 174.003 176.300 -0.053 0.000 1.149 40 M CA -0.737 54.502 55.300 -0.101 0.000 0.929 40 M CB 2.325 34.696 32.600 -0.381 0.000 1.683 40 M HN -0.156 nan 8.290 nan 0.000 0.470 41 V N 2.996 122.851 119.914 -0.099 0.000 2.789 41 V HA 0.813 4.933 4.120 0.001 0.000 0.311 41 V C -0.698 175.322 176.094 -0.122 0.000 1.073 41 V CA -0.506 61.751 62.300 -0.071 0.000 0.921 41 V CB 2.552 34.401 31.823 0.043 0.000 1.009 41 V HN 0.899 nan 8.190 nan 0.000 0.426 42 T N 3.252 117.724 114.554 -0.137 0.000 2.841 42 T HA 0.660 5.010 4.350 0.001 0.000 0.283 42 T C -0.072 174.542 174.700 -0.144 0.000 1.000 42 T CA -0.298 61.727 62.100 -0.124 0.000 0.977 42 T CB 1.699 70.531 68.868 -0.060 0.000 0.979 42 T HN 0.944 nan 8.240 nan 0.000 0.446 43 A N 1.915 124.693 122.820 -0.071 0.000 2.404 43 A HA 0.300 4.620 4.320 0.001 0.000 0.273 43 A C 1.358 178.914 177.584 -0.048 0.000 1.144 43 A CA -0.377 51.632 52.037 -0.046 0.000 0.806 43 A CB 0.001 19.024 19.000 0.038 0.000 1.080 43 A HN 1.066 nan 8.150 nan 0.000 0.509 44 E N 2.181 122.261 120.200 -0.200 0.000 2.110 44 E HA -0.191 4.159 4.350 0.001 0.000 0.193 44 E C 0.638 177.291 176.600 0.090 0.000 0.988 44 E CA 1.790 58.026 56.400 -0.273 0.000 0.804 44 E CB 0.085 29.531 29.700 -0.423 0.000 0.745 44 E HN 0.800 nan 8.360 nan 0.000 0.458 45 N N -1.193 117.566 118.700 0.097 0.000 1.983 45 N HA -0.015 4.725 4.740 0.001 0.000 0.234 45 N C 0.615 176.225 175.510 0.167 0.000 1.339 45 N CA 0.203 53.354 53.050 0.168 0.000 0.826 45 N CB 0.320 38.878 38.487 0.117 0.000 1.156 45 N HN 0.006 nan 8.380 nan 0.000 0.468 46 E N 0.647 120.927 120.200 0.134 0.000 2.472 46 E HA 0.094 4.444 4.350 0.001 0.000 0.200 46 E C 1.072 177.812 176.600 0.233 0.000 1.046 46 E CA 0.839 57.335 56.400 0.160 0.000 0.871 46 E CB 0.003 29.784 29.700 0.133 0.000 0.806 46 E HN 0.321 nan 8.360 nan 0.000 0.533 47 M N -0.170 119.583 119.600 0.254 0.000 2.412 47 M HA 0.160 4.641 4.480 0.001 0.000 0.315 47 M C -0.079 176.442 176.300 0.368 0.000 1.092 47 M CA -0.105 55.401 55.300 0.343 0.000 0.974 47 M CB 0.681 33.447 32.600 0.277 0.000 1.437 47 M HN -0.146 nan 8.290 nan 0.000 0.524 48 K N 0.501 121.079 120.400 0.298 0.000 2.118 48 K HA 0.277 4.597 4.320 0.001 0.000 0.240 48 K C 1.096 177.875 176.600 0.298 0.000 1.035 48 K CA -0.277 56.179 56.287 0.282 0.000 0.899 48 K CB 1.218 33.879 32.500 0.268 0.000 1.085 48 K HN 0.066 nan 8.250 nan 0.000 0.498 49 I N 1.216 121.921 120.570 0.225 0.000 2.127 49 I HA -0.348 3.823 4.170 0.001 0.000 0.241 49 I C 1.975 178.114 176.117 0.035 0.000 1.075 49 I CA 1.615 62.939 61.300 0.041 0.000 1.334 49 I CB -0.551 37.295 38.000 -0.257 0.000 1.040 49 I HN 0.730 nan 8.210 nan 0.000 0.405 50 D N 1.740 122.137 120.400 -0.004 0.000 2.178 50 D HA -0.167 4.474 4.640 0.001 0.000 0.201 50 D C 1.976 178.321 176.300 0.075 0.000 0.980 50 D CA 1.521 55.524 54.000 0.004 0.000 0.842 50 D CB -0.430 40.344 40.800 -0.043 0.000 0.948 50 D HN 0.359 nan 8.370 nan 0.000 0.472 51 A N 0.243 123.129 122.820 0.111 0.000 2.016 51 A HA -0.010 4.311 4.320 0.001 0.000 0.217 51 A C 2.253 179.908 177.584 0.118 0.000 1.162 51 A CA 1.930 54.036 52.037 0.115 0.000 0.662 51 A CB -0.709 18.375 19.000 0.141 0.000 0.812 51 A HN 0.456 nan 8.150 nan 0.000 0.450 52 T N -3.411 111.255 114.554 0.186 0.000 3.037 52 T HA 0.185 4.535 4.350 0.001 0.000 0.252 52 T C 0.641 175.407 174.700 0.110 0.000 1.073 52 T CA 0.782 62.962 62.100 0.133 0.000 1.091 52 T CB 0.083 69.170 68.868 0.365 0.000 0.935 52 T HN 0.445 nan 8.240 nan 0.000 0.488 53 E N 1.479 121.800 120.200 0.201 0.000 3.666 53 E HA 0.301 4.652 4.350 0.001 0.000 0.230 53 E C -2.333 174.376 176.600 0.180 0.000 1.235 53 E CA -1.996 54.452 56.400 0.081 0.000 1.096 53 E CB 1.164 30.991 29.700 0.212 0.000 1.287 53 E HN 0.063 nan 8.360 nan 0.000 0.406 54 P HA -0.182 nan 4.420 nan 0.000 0.216 54 P C -0.405 177.010 177.300 0.192 0.000 1.157 54 P CA 1.361 64.531 63.100 0.118 0.000 0.880 54 P CB 0.233 31.945 31.700 0.020 0.000 0.791 55 Q N -1.965 117.800 119.800 -0.059 0.000 2.365 55 Q HA 0.358 4.699 4.340 0.001 0.000 0.269 55 Q C -0.322 175.174 176.000 -0.840 0.000 1.061 55 Q CA -0.796 54.780 55.803 -0.378 0.000 0.816 55 Q CB 1.359 29.931 28.738 -0.277 0.000 1.325 55 Q HN -0.095 nan 8.270 nan 0.000 0.446 56 R N 0.640 120.102 120.500 -1.729 0.000 2.537 56 R HA 0.184 4.524 4.340 0.001 0.000 0.281 56 R C 0.647 176.432 176.300 -0.859 0.000 0.988 56 R CA 1.712 56.742 56.100 -1.783 0.000 1.077 56 R CB -0.304 28.954 30.300 -1.736 0.000 0.932 56 R HN 0.909 nan 8.270 nan 0.000 0.409 57 G N 2.891 111.260 108.800 -0.719 0.000 2.212 57 G HA2 -0.324 3.637 3.960 0.001 0.000 0.266 57 G HA3 -0.324 3.637 3.960 0.001 0.000 0.266 57 G C -0.129 174.482 174.900 -0.481 0.000 0.978 57 G CA 0.453 45.260 45.100 -0.489 0.000 0.632 57 G HN 0.628 nan 8.290 nan 0.000 0.537 58 Q N 0.076 119.543 119.800 -0.555 0.000 2.462 58 Q HA 0.577 4.917 4.340 0.001 0.000 0.247 58 Q C -0.709 175.039 176.000 -0.419 0.000 1.044 58 Q CA -0.603 54.978 55.803 -0.369 0.000 0.803 58 Q CB 0.672 29.256 28.738 -0.257 0.000 1.190 58 Q HN 0.283 nan 8.270 nan 0.000 0.507 59 F N 1.651 121.499 119.950 -0.170 0.000 2.399 59 F HA 0.267 4.795 4.527 0.001 0.000 0.342 59 F C 0.840 176.361 175.800 -0.465 0.000 1.106 59 F CA -0.386 57.395 58.000 -0.365 0.000 1.196 59 F CB 0.756 39.509 39.000 -0.412 0.000 1.163 59 F HN 0.368 nan 8.300 nan 0.000 0.547 60 N N 2.771 121.202 118.700 -0.448 0.000 2.549 60 N HA 0.206 4.947 4.740 0.001 0.000 0.281 60 N C -1.003 174.251 175.510 -0.426 0.000 1.084 60 N CA -0.351 52.507 53.050 -0.320 0.000 0.862 60 N CB 0.471 38.879 38.487 -0.130 0.000 1.333 60 N HN 0.357 nan 8.380 nan 0.000 0.523 61 F N 1.194 121.122 119.950 -0.038 0.000 2.639 61 F HA 0.250 4.778 4.527 0.001 0.000 0.300 61 F C 2.153 177.997 175.800 0.073 0.000 1.109 61 F CA -0.230 57.746 58.000 -0.040 0.000 1.335 61 F CB 0.156 38.884 39.000 -0.454 0.000 1.014 61 F HN 0.419 nan 8.300 nan 0.000 0.537 62 S N 1.013 116.815 115.700 0.169 0.000 2.351 62 S HA -0.241 4.229 4.470 0.001 0.000 0.220 62 S C 2.484 177.192 174.600 0.179 0.000 1.035 62 S CA 1.783 60.078 58.200 0.157 0.000 1.031 62 S CB -0.285 62.972 63.200 0.094 0.000 0.928 62 S HN 0.375 nan 8.310 nan 0.000 0.433 63 A N 0.735 123.650 122.820 0.159 0.000 1.873 63 A HA 0.166 4.486 4.320 0.001 0.000 0.215 63 A C 2.405 180.118 177.584 0.214 0.000 1.186 63 A CA 1.790 53.917 52.037 0.151 0.000 0.616 63 A CB -1.688 17.381 19.000 0.116 0.000 0.823 63 A HN 0.655 nan 8.150 nan 0.000 0.442 64 G N -0.212 108.769 108.800 0.303 0.000 2.440 64 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 64 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 64 G C 1.099 176.275 174.900 0.459 0.000 1.154 64 G CA 1.292 46.630 45.100 0.398 0.000 0.767 64 G HN 0.450 nan 8.290 nan 0.000 0.552 65 D N -0.285 120.413 120.400 0.497 0.000 2.219 65 D HA -0.031 4.610 4.640 0.001 0.000 0.205 65 D C 2.371 178.898 176.300 0.379 0.000 0.970 65 D CA 0.397 54.698 54.000 0.502 0.000 0.851 65 D CB -0.166 40.886 40.800 0.420 0.000 0.943 65 D HN 0.306 nan 8.370 nan 0.000 0.488 66 R N 0.410 121.076 120.500 0.278 0.000 2.081 66 R HA -0.090 4.250 4.340 0.001 0.000 0.235 66 R C 1.945 178.376 176.300 0.219 0.000 1.131 66 R CA 0.887 57.114 56.100 0.211 0.000 0.960 66 R CB -0.071 30.315 30.300 0.144 0.000 0.856 66 R HN 0.018 nan 8.270 nan 0.000 0.436 67 V N 0.067 120.105 119.914 0.208 0.000 2.323 67 V HA -0.232 3.888 4.120 0.001 0.000 0.244 67 V C 1.937 178.166 176.094 0.224 0.000 1.041 67 V CA 1.772 64.180 62.300 0.180 0.000 1.025 67 V CB -0.751 31.140 31.823 0.113 0.000 0.656 67 V HN 0.390 nan 8.190 nan 0.000 0.451 68 Y N 2.119 122.499 120.300 0.133 0.000 2.097 68 Y HA -0.265 4.285 4.550 0.001 0.000 0.282 68 Y C 2.528 178.500 175.900 0.121 0.000 1.152 68 Y CA 2.138 60.292 58.100 0.090 0.000 1.136 68 Y CB -0.481 38.052 38.460 0.122 0.000 0.975 68 Y HN 0.278 nan 8.280 nan 0.000 0.498 69 N N -0.358 118.375 118.700 0.054 0.000 2.104 69 N HA -0.246 4.494 4.740 0.001 0.000 0.190 69 N C 1.600 177.079 175.510 -0.053 0.000 1.024 69 N CA 1.666 54.688 53.050 -0.048 0.000 0.853 69 N CB -1.228 37.344 38.487 0.142 0.000 1.008 69 N HN 0.659 nan 8.380 nan 0.000 0.424 70 W N 2.047 123.300 121.300 -0.078 0.000 2.335 70 W HA -0.106 4.555 4.660 0.001 0.000 0.311 70 W C 2.381 178.833 176.519 -0.111 0.000 1.213 70 W CA 2.340 59.648 57.345 -0.062 0.000 1.274 70 W CB -0.433 29.017 29.460 -0.015 0.000 1.148 70 W HN 0.098 nan 8.180 nan 0.000 0.498 71 A N -0.068 122.776 122.820 0.039 0.000 1.841 71 A HA -0.239 4.082 4.320 0.001 0.000 0.216 71 A C 2.033 179.411 177.584 -0.344 0.000 1.199 71 A CA 2.893 54.844 52.037 -0.144 0.000 0.621 71 A CB -1.394 17.570 19.000 -0.060 0.000 0.835 71 A HN 0.180 nan 8.150 nan 0.000 0.445 72 V N 0.159 119.818 119.914 -0.425 0.000 2.332 72 V HA -0.273 3.847 4.120 0.001 0.000 0.248 72 V C 2.655 178.569 176.094 -0.299 0.000 1.055 72 V CA 2.059 64.132 62.300 -0.378 0.000 1.038 72 V CB -0.885 30.637 31.823 -0.502 0.000 0.651 72 V HN 0.548 nan 8.190 nan 0.000 0.450 73 Q N 0.008 119.622 119.800 -0.309 0.000 2.291 73 Q HA -0.095 4.246 4.340 0.001 0.000 0.206 73 Q C 1.521 177.325 176.000 -0.327 0.000 0.976 73 Q CA 0.957 56.604 55.803 -0.260 0.000 0.875 73 Q CB -0.402 28.207 28.738 -0.215 0.000 0.927 73 Q HN 0.654 nan 8.270 nan 0.000 0.450 74 N N -0.642 117.769 118.700 -0.482 0.000 2.238 74 N HA 0.109 4.850 4.740 0.001 0.000 0.222 74 N C 0.231 175.535 175.510 -0.344 0.000 1.133 74 N CA 0.612 53.354 53.050 -0.514 0.000 0.854 74 N CB 1.183 39.088 38.487 -0.969 0.000 1.041 74 N HN 0.280 nan 8.380 nan 0.000 0.510 75 G N 1.354 110.001 108.800 -0.256 0.000 2.176 75 G HA2 -0.288 3.673 3.960 0.001 0.000 0.252 75 G HA3 -0.288 3.673 3.960 0.001 0.000 0.252 75 G C -0.213 174.606 174.900 -0.135 0.000 1.024 75 G CA 0.308 45.309 45.100 -0.165 0.000 0.755 75 G HN 0.262 nan 8.290 nan 0.000 0.507 76 K N 0.076 120.376 120.400 -0.167 0.000 2.259 76 K HA 0.611 4.932 4.320 0.001 0.000 0.252 76 K C 0.623 177.149 176.600 -0.124 0.000 0.936 76 K CA -0.651 55.571 56.287 -0.108 0.000 0.810 76 K CB 1.624 34.081 32.500 -0.072 0.000 1.143 76 K HN 0.341 nan 8.250 nan 0.000 0.427 77 Q N 0.461 120.191 119.800 -0.116 0.000 2.407 77 Q HA 0.445 4.785 4.340 0.001 0.000 0.214 77 Q C -0.604 175.300 176.000 -0.159 0.000 1.043 77 Q CA -0.664 55.059 55.803 -0.132 0.000 0.983 77 Q CB 1.071 29.715 28.738 -0.155 0.000 1.211 77 Q HN 0.240 nan 8.270 nan 0.000 0.564 78 V N 0.851 120.670 119.914 -0.158 0.000 2.709 78 V HA 0.401 4.522 4.120 0.001 0.000 0.308 78 V C -0.789 175.138 176.094 -0.278 0.000 1.062 78 V CA -0.787 61.402 62.300 -0.184 0.000 0.901 78 V CB 2.021 33.786 31.823 -0.096 0.000 1.003 78 V HN 0.640 nan 8.190 nan 0.000 0.425 79 R N 2.323 122.646 120.500 -0.295 0.000 2.295 79 R HA 0.576 4.917 4.340 0.001 0.000 0.324 79 R C 0.287 176.319 176.300 -0.447 0.000 0.968 79 R CA -0.477 55.429 56.100 -0.324 0.000 0.837 79 R CB 1.856 32.034 30.300 -0.203 0.000 1.133 79 R HN 0.903 nan 8.270 nan 0.000 0.450 80 G N 1.616 109.909 108.800 -0.845 0.000 2.370 80 G HA2 0.183 4.144 3.960 0.001 0.000 0.272 80 G HA3 0.183 4.144 3.960 0.001 0.000 0.272 80 G C -0.924 173.784 174.900 -0.319 0.000 1.208 80 G CA 0.029 44.319 45.100 -1.349 0.000 0.856 80 G HN 0.663 nan 8.290 nan 0.000 0.500 81 H N 0.056 119.068 119.070 -0.097 0.000 3.096 81 H HA 0.590 5.147 4.556 0.001 0.000 0.335 81 H C -0.908 174.553 175.328 0.221 0.000 0.990 81 H CA -0.336 55.774 56.048 0.102 0.000 1.393 81 H CB 2.095 31.873 29.762 0.027 0.000 1.742 81 H HN 0.627 nan 8.280 nan 0.000 0.501 82 T N 4.930 119.468 114.554 -0.027 0.000 2.923 82 T HA 0.266 4.617 4.350 0.001 0.000 0.311 82 T C 0.686 175.481 174.700 0.159 0.000 1.183 82 T CA -0.673 61.383 62.100 -0.073 0.000 1.020 82 T CB 1.110 69.569 68.868 -0.683 0.000 1.165 82 T HN 0.590 nan 8.240 nan 0.000 0.482 83 L N 2.234 123.545 121.223 0.146 0.000 2.131 83 L HA 0.446 4.787 4.340 0.001 0.000 0.206 83 L C 1.266 178.279 176.870 0.238 0.000 1.087 83 L CA 0.500 55.420 54.840 0.134 0.000 0.767 83 L CB -0.159 41.825 42.059 -0.125 0.000 0.917 83 L HN 0.679 nan 8.230 nan 0.000 0.441 84 A N -1.196 121.746 122.820 0.204 0.000 2.357 84 A HA 0.533 4.853 4.320 0.001 0.000 0.295 84 A C -1.928 175.918 177.584 0.437 0.000 1.121 84 A CA -0.213 52.013 52.037 0.315 0.000 0.742 84 A CB 0.859 20.096 19.000 0.394 0.000 1.181 84 A HN 0.177 nan 8.150 nan 0.000 0.454 85 W N 3.771 125.138 121.300 0.111 0.000 3.296 85 W HA 0.397 5.058 4.660 0.001 0.000 0.314 85 W C 0.600 177.109 176.519 -0.016 0.000 1.238 85 W CA -0.858 56.541 57.345 0.089 0.000 1.193 85 W CB 0.964 30.404 29.460 -0.032 0.000 1.383 85 W HN 0.805 nan 8.180 nan 0.000 0.545 86 H N 0.876 119.944 119.070 -0.004 0.000 2.512 86 H HA 0.155 4.712 4.556 0.001 0.000 0.279 86 H C 0.262 175.285 175.328 -0.508 0.000 0.999 86 H CA 0.933 56.833 56.048 -0.247 0.000 1.283 86 H CB -0.006 29.675 29.762 -0.135 0.000 1.421 86 H HN 0.097 nan 8.280 nan 0.000 0.554 87 S N 0.132 114.745 115.700 -1.813 0.000 2.654 87 S HA 0.155 4.625 4.470 0.001 0.000 0.283 87 S C 0.110 173.969 174.600 -1.235 0.000 1.180 87 S CA -0.387 56.823 58.200 -1.650 0.000 1.021 87 S CB 0.777 62.705 63.200 -2.120 0.000 1.018 87 S HN 0.552 nan 8.310 nan 0.000 0.532 88 Q N 0.560 119.913 119.800 -0.745 0.000 2.457 88 Q HA -0.206 4.134 4.340 0.001 0.000 0.283 88 Q C -0.570 175.245 176.000 -0.308 0.000 1.234 88 Q CA 0.724 56.281 55.803 -0.410 0.000 0.877 88 Q CB -1.229 27.346 28.738 -0.271 0.000 1.250 88 Q HN 0.680 nan 8.270 nan 0.000 0.481 89 Q N 0.984 120.564 119.800 -0.367 0.000 2.299 89 Q HA 0.358 4.698 4.340 0.001 0.000 0.246 89 Q C -1.977 173.790 176.000 -0.388 0.000 0.935 89 Q CA -1.758 53.815 55.803 -0.383 0.000 0.887 89 Q CB 0.693 29.177 28.738 -0.424 0.000 1.223 89 Q HN 0.114 nan 8.270 nan 0.000 0.439 90 P HA -0.070 nan 4.420 nan 0.000 0.272 90 P C 0.413 177.424 177.300 -0.482 0.000 1.230 90 P CA 0.127 62.974 63.100 -0.421 0.000 0.788 90 P CB 0.613 32.070 31.700 -0.405 0.000 0.949 91 G N 2.254 110.923 108.800 -0.218 0.000 2.556 91 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 91 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 91 G C 1.407 176.229 174.900 -0.130 0.000 1.156 91 G CA 0.769 45.788 45.100 -0.136 0.000 0.766 91 G HN 0.756 nan 8.290 nan 0.000 0.583 92 W N 0.079 121.331 121.300 -0.081 0.000 2.338 92 W HA -0.029 4.631 4.660 0.001 0.000 0.304 92 W C 2.190 178.659 176.519 -0.083 0.000 1.212 92 W CA 1.183 58.481 57.345 -0.078 0.000 1.264 92 W CB -1.032 28.378 29.460 -0.083 0.000 1.142 92 W HN 0.295 nan 8.180 nan 0.000 0.512 93 M N 1.532 120.532 119.600 -1.000 0.000 2.319 93 M HA -0.170 4.311 4.480 0.001 0.000 0.265 93 M C 2.409 178.452 176.300 -0.430 0.000 1.068 93 M CA 1.696 56.464 55.300 -0.886 0.000 1.118 93 M CB -0.213 31.552 32.600 -1.392 0.000 1.395 93 M HN 0.045 nan 8.290 nan 0.000 0.435 94 Q N -0.270 119.305 119.800 -0.375 0.000 2.124 94 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 94 Q C 1.947 177.856 176.000 -0.152 0.000 0.977 94 Q CA 1.950 57.607 55.803 -0.242 0.000 0.850 94 Q CB -0.202 28.409 28.738 -0.211 0.000 0.901 94 Q HN 0.673 nan 8.270 nan 0.000 0.429 95 S N -0.302 115.334 115.700 -0.107 0.000 2.562 95 S HA 0.098 4.569 4.470 0.001 0.000 0.221 95 S C 0.890 175.469 174.600 -0.035 0.000 0.975 95 S CA -0.171 57.996 58.200 -0.054 0.000 0.918 95 S CB -0.103 63.086 63.200 -0.018 0.000 0.772 95 S HN 0.114 nan 8.310 nan 0.000 0.531 96 L N 1.348 122.545 121.223 -0.042 0.000 2.466 96 L HA 0.582 4.922 4.340 0.001 0.000 0.257 96 L C 0.564 177.407 176.870 -0.045 0.000 1.189 96 L CA -0.309 54.523 54.840 -0.014 0.000 0.813 96 L CB 1.204 43.276 42.059 0.021 0.000 1.118 96 L HN 0.300 nan 8.230 nan 0.000 0.471 97 S N -0.892 114.792 115.700 -0.028 0.000 2.636 97 S HA 0.652 5.123 4.470 0.001 0.000 0.266 97 S C -0.235 174.351 174.600 -0.023 0.000 1.147 97 S CA 0.149 58.324 58.200 -0.042 0.000 0.815 97 S CB 0.995 64.170 63.200 -0.041 0.000 1.119 97 S HN 1.229 nan 8.310 nan 0.000 0.470 98 G N 2.203 110.986 108.800 -0.029 0.000 2.574 98 G HA2 -0.305 3.655 3.960 0.001 0.000 0.282 98 G HA3 -0.305 3.655 3.960 0.001 0.000 0.282 98 G C 1.119 176.021 174.900 0.003 0.000 1.257 98 G CA 1.259 46.352 45.100 -0.011 0.000 0.956 98 G HN 2.074 nan 8.290 nan 0.000 0.560 99 S N -1.512 114.197 115.700 0.014 0.000 2.419 99 S HA -0.105 4.365 4.470 0.001 0.000 0.233 99 S C 2.178 176.797 174.600 0.032 0.000 1.016 99 S CA 2.524 60.739 58.200 0.026 0.000 0.974 99 S CB -0.669 62.546 63.200 0.025 0.000 0.786 99 S HN 1.075 nan 8.310 nan 0.000 0.492 100 T N 2.654 117.224 114.554 0.027 0.000 2.746 100 T HA 0.036 4.386 4.350 0.001 0.000 0.267 100 T C 1.643 176.375 174.700 0.054 0.000 1.039 100 T CA 1.331 63.454 62.100 0.039 0.000 1.142 100 T CB -0.518 68.371 68.868 0.034 0.000 0.866 100 T HN 0.324 nan 8.240 nan 0.000 0.444 101 L N 1.336 122.577 121.223 0.030 0.000 2.056 101 L HA 0.121 4.461 4.340 0.001 0.000 0.207 101 L C 2.440 179.332 176.870 0.036 0.000 1.078 101 L CA 1.651 56.501 54.840 0.017 0.000 0.749 101 L CB -0.616 41.416 42.059 -0.044 0.000 0.901 101 L HN -0.022 nan 8.230 nan 0.000 0.433 102 R N -0.291 120.233 120.500 0.040 0.000 2.083 102 R HA -0.227 4.113 4.340 0.001 0.000 0.237 102 R C 2.355 178.709 176.300 0.090 0.000 1.137 102 R CA 2.007 58.150 56.100 0.071 0.000 0.951 102 R CB -0.810 29.533 30.300 0.071 0.000 0.851 102 R HN 0.498 nan 8.270 nan 0.000 0.434 103 Q N -0.219 119.630 119.800 0.081 0.000 2.124 103 Q HA 0.037 4.378 4.340 0.001 0.000 0.202 103 Q C 1.853 177.924 176.000 0.118 0.000 0.977 103 Q CA 2.152 58.007 55.803 0.087 0.000 0.850 103 Q CB -0.490 28.289 28.738 0.069 0.000 0.901 103 Q HN 0.423 nan 8.270 nan 0.000 0.429 104 A N 0.273 123.176 122.820 0.137 0.000 1.930 104 A HA -0.168 4.153 4.320 0.001 0.000 0.217 104 A C 2.144 179.863 177.584 0.226 0.000 1.175 104 A CA 1.593 53.755 52.037 0.208 0.000 0.627 104 A CB -0.698 18.468 19.000 0.276 0.000 0.815 104 A HN 0.595 nan 8.150 nan 0.000 0.443 105 M N -0.296 119.403 119.600 0.164 0.000 2.080 105 M HA -0.156 4.324 4.480 0.001 0.000 0.260 105 M C 1.965 178.385 176.300 0.201 0.000 1.068 105 M CA 2.017 57.423 55.300 0.177 0.000 1.109 105 M CB -0.354 32.339 32.600 0.155 0.000 1.342 105 M HN 0.438 nan 8.290 nan 0.000 0.405 106 I N 0.413 121.077 120.570 0.157 0.000 2.179 106 I HA -0.332 3.838 4.170 0.001 0.000 0.242 106 I C 1.887 178.086 176.117 0.136 0.000 1.088 106 I CA 1.370 62.743 61.300 0.121 0.000 1.357 106 I CB -0.831 37.226 38.000 0.094 0.000 1.051 106 I HN 0.330 nan 8.210 nan 0.000 0.409 107 D N -0.239 120.268 120.400 0.178 0.000 2.117 107 D HA -0.242 4.398 4.640 0.001 0.000 0.197 107 D C 1.988 178.492 176.300 0.340 0.000 0.987 107 D CA 1.575 55.707 54.000 0.221 0.000 0.829 107 D CB -0.424 40.505 40.800 0.216 0.000 0.961 107 D HN 0.435 nan 8.370 nan 0.000 0.460 108 H N 0.888 120.132 119.070 0.290 0.000 2.293 108 H HA -0.030 4.527 4.556 0.001 0.000 0.300 108 H C 2.229 177.675 175.328 0.198 0.000 1.082 108 H CA 1.339 57.614 56.048 0.379 0.000 1.308 108 H CB -0.421 29.517 29.762 0.294 0.000 1.375 108 H HN 0.049 nan 8.280 nan 0.000 0.495 109 I N 0.337 120.937 120.570 0.051 0.000 2.151 109 I HA -0.358 3.813 4.170 0.001 0.000 0.243 109 I C 2.092 178.086 176.117 -0.205 0.000 1.080 109 I CA 1.513 62.725 61.300 -0.147 0.000 1.339 109 I CB -0.407 37.542 38.000 -0.086 0.000 1.039 109 I HN 0.398 nan 8.210 nan 0.000 0.409 110 N N 1.116 119.758 118.700 -0.096 0.000 2.120 110 N HA -0.129 4.612 4.740 0.001 0.000 0.188 110 N C 1.892 177.285 175.510 -0.195 0.000 1.024 110 N CA 1.717 54.701 53.050 -0.110 0.000 0.852 110 N CB -0.676 37.792 38.487 -0.030 0.000 1.003 110 N HN 0.467 nan 8.380 nan 0.000 0.424 111 G N 1.072 109.714 108.800 -0.262 0.000 2.404 111 G HA2 -0.149 3.812 3.960 0.001 0.000 0.215 111 G HA3 -0.149 3.812 3.960 0.001 0.000 0.215 111 G C 1.778 176.306 174.900 -0.621 0.000 1.174 111 G CA 0.785 45.455 45.100 -0.717 0.000 0.780 111 G HN 0.179 nan 8.290 nan 0.000 0.537 112 V N 1.065 120.713 119.914 -0.443 0.000 2.270 112 V HA -0.160 3.961 4.120 0.001 0.000 0.245 112 V C 2.904 178.913 176.094 -0.142 0.000 1.043 112 V CA 2.038 64.259 62.300 -0.131 0.000 1.014 112 V CB -0.493 31.257 31.823 -0.121 0.000 0.645 112 V HN 0.329 nan 8.190 nan 0.000 0.447 113 M N 0.357 119.771 119.600 -0.310 0.000 2.159 113 M HA -0.095 4.386 4.480 0.001 0.000 0.263 113 M C 2.251 178.478 176.300 -0.121 0.000 1.063 113 M CA 1.981 57.135 55.300 -0.244 0.000 1.110 113 M CB -0.847 31.509 32.600 -0.407 0.000 1.374 113 M HN 0.522 nan 8.290 nan 0.000 0.411 114 G N -0.993 107.696 108.800 -0.185 0.000 2.418 114 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 114 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 114 G C 1.165 175.931 174.900 -0.224 0.000 1.158 114 G CA 1.344 46.343 45.100 -0.169 0.000 0.771 114 G HN 0.476 nan 8.290 nan 0.000 0.545 115 H N -0.365 118.417 119.070 -0.479 0.000 2.353 115 H HA -0.059 4.497 4.556 0.001 0.000 0.300 115 H C 1.363 176.268 175.328 -0.705 0.000 1.090 115 H CA 1.360 56.947 56.048 -0.768 0.000 1.327 115 H CB -0.164 28.631 29.762 -1.611 0.000 1.383 115 H HN 0.406 nan 8.280 nan 0.000 0.508 116 Y N 0.654 120.739 120.300 -0.358 0.000 2.532 116 Y HA 0.179 4.729 4.550 0.001 0.000 0.283 116 Y C 0.674 176.478 175.900 -0.159 0.000 1.181 116 Y CA -0.324 57.586 58.100 -0.316 0.000 1.256 116 Y CB -0.282 38.130 38.460 -0.081 0.000 1.112 116 Y HN 0.041 nan 8.280 nan 0.000 0.521 117 K N 0.811 121.184 120.400 -0.046 0.000 2.473 117 K HA 0.067 4.387 4.320 0.001 0.000 0.277 117 K C 1.314 177.912 176.600 -0.004 0.000 1.052 117 K CA 1.289 57.571 56.287 -0.008 0.000 1.114 117 K CB -0.294 32.171 32.500 -0.058 0.000 0.869 117 K HN 0.620 nan 8.250 nan 0.000 0.481 118 G N 3.750 112.577 108.800 0.044 0.000 2.184 118 G HA2 -0.317 3.643 3.960 0.001 0.000 0.264 118 G HA3 -0.317 3.643 3.960 0.001 0.000 0.264 118 G C 0.504 175.428 174.900 0.039 0.000 0.975 118 G CA 0.811 45.933 45.100 0.036 0.000 0.642 118 G HN 0.739 nan 8.290 nan 0.000 0.536 119 K N -0.696 119.726 120.400 0.036 0.000 2.355 119 K HA 0.360 4.681 4.320 0.001 0.000 0.198 119 K C 0.473 177.112 176.600 0.064 0.000 1.039 119 K CA -0.063 56.258 56.287 0.057 0.000 1.075 119 K CB 0.900 33.355 32.500 -0.075 0.000 0.870 119 K HN 0.317 nan 8.250 nan 0.000 0.540 120 I N 0.924 121.496 120.570 0.004 0.000 2.377 120 I HA 0.199 4.370 4.170 0.001 0.000 0.293 120 I C 1.140 177.206 176.117 -0.085 0.000 0.987 120 I CA -0.346 60.875 61.300 -0.132 0.000 1.185 120 I CB 1.165 38.933 38.000 -0.386 0.000 1.341 120 I HN -0.023 nan 8.210 nan 0.000 0.455 121 A N 6.169 128.917 122.820 -0.121 0.000 1.854 121 A HA -0.020 4.300 4.320 0.001 0.000 0.214 121 A C 0.790 178.348 177.584 -0.043 0.000 1.192 121 A CA 1.092 53.088 52.037 -0.068 0.000 0.611 121 A CB 0.038 18.976 19.000 -0.103 0.000 0.832 121 A HN 0.778 nan 8.150 nan 0.000 0.442 122 Q N -3.210 116.519 119.800 -0.119 0.000 2.389 122 Q HA 0.493 4.833 4.340 0.001 0.000 0.277 122 Q C -2.025 173.900 176.000 -0.125 0.000 1.082 122 Q CA -0.354 55.429 55.803 -0.034 0.000 0.810 122 Q CB 2.180 30.916 28.738 -0.004 0.000 1.374 122 Q HN 0.551 nan 8.270 nan 0.000 0.422 123 W N 1.244 122.564 121.300 0.033 0.000 2.683 123 W HA 0.306 4.966 4.660 0.000 0.000 0.329 123 W C -0.744 175.784 176.519 0.016 0.000 1.037 123 W CA -0.472 56.882 57.345 0.016 0.000 1.232 123 W CB 1.703 31.163 29.460 0.001 0.000 1.390 123 W HN 0.456 nan 8.180 nan 0.000 0.465 124 D N 3.676 124.283 120.400 0.344 0.000 2.470 124 D HA 0.054 4.695 4.640 0.001 0.000 0.226 124 D C 1.228 177.604 176.300 0.128 0.000 1.196 124 D CA 0.249 54.353 54.000 0.175 0.000 0.979 124 D CB 1.099 41.981 40.800 0.138 0.000 1.059 124 D HN 0.120 nan 8.370 nan 0.000 0.515 125 V N 1.570 121.493 119.914 0.016 0.000 2.255 125 V HA -0.150 3.971 4.120 0.001 0.000 0.247 125 V C 1.157 177.149 176.094 -0.171 0.000 1.051 125 V CA 1.120 63.285 62.300 -0.224 0.000 1.018 125 V CB -0.018 31.360 31.823 -0.741 0.000 0.641 125 V HN 0.248 nan 8.190 nan 0.000 0.445 126 V N 0.467 120.308 119.914 -0.121 0.000 2.604 126 V HA 0.385 4.506 4.120 0.001 0.000 0.305 126 V C -0.466 175.598 176.094 -0.050 0.000 1.043 126 V CA -0.699 61.639 62.300 0.064 0.000 0.888 126 V CB 1.708 33.655 31.823 0.207 0.000 0.995 126 V HN 0.473 nan 8.190 nan 0.000 0.429 127 N N 2.320 121.011 118.700 -0.015 0.000 2.284 127 N HA 0.314 5.054 4.740 0.001 0.000 0.300 127 N C -0.619 174.958 175.510 0.112 0.000 1.047 127 N CA -0.545 52.344 53.050 -0.269 0.000 0.821 127 N CB 1.482 39.459 38.487 -0.849 0.000 1.337 127 N HN 0.849 nan 8.380 nan 0.000 0.482 128 E N 0.980 121.223 120.200 0.072 0.000 2.160 128 E HA -0.254 4.096 4.350 0.001 0.000 0.180 128 E C 0.075 177.013 176.600 0.563 0.000 1.452 128 E CA 0.299 56.934 56.400 0.392 0.000 0.683 128 E CB -1.218 28.896 29.700 0.689 0.000 1.072 128 E HN 0.596 nan 8.360 nan 0.000 0.332 129 A N 0.394 123.614 122.820 0.667 0.000 2.251 129 A HA 0.250 4.571 4.320 0.001 0.000 0.209 129 A C 0.202 177.978 177.584 0.319 0.000 1.187 129 A CA 0.246 52.656 52.037 0.623 0.000 0.823 129 A CB 0.273 19.627 19.000 0.589 0.000 0.846 129 A HN 0.257 nan 8.150 nan 0.000 0.486 130 F N -0.721 119.368 119.950 0.232 0.000 2.470 130 F HA 0.535 5.063 4.527 0.001 0.000 0.329 130 F C 0.924 176.760 175.800 0.060 0.000 1.072 130 F CA -0.845 57.225 58.000 0.117 0.000 0.989 130 F CB 1.575 40.624 39.000 0.081 0.000 1.193 130 F HN -0.050 nan 8.300 nan 0.000 0.481 131 S N 0.218 116.020 115.700 0.170 0.000 2.632 131 S HA 0.190 4.660 4.470 0.001 0.000 0.267 131 S C 0.318 174.991 174.600 0.122 0.000 1.276 131 S CA -0.563 57.702 58.200 0.107 0.000 0.998 131 S CB 0.513 63.746 63.200 0.056 0.000 0.953 131 S HN 0.631 nan 8.310 nan 0.000 0.547 132 D N 0.895 121.359 120.400 0.108 0.000 2.398 132 D HA 0.059 4.699 4.640 0.001 0.000 0.210 132 D C 0.702 177.043 176.300 0.068 0.000 1.094 132 D CA 0.234 54.304 54.000 0.117 0.000 0.839 132 D CB 0.072 40.979 40.800 0.179 0.000 0.963 132 D HN 0.764 nan 8.370 nan 0.000 0.506 133 D N 0.313 120.742 120.400 0.050 0.000 2.351 133 D HA -0.053 4.587 4.640 0.001 0.000 0.216 133 D C 1.612 177.905 176.300 -0.011 0.000 0.968 133 D CA 1.064 55.075 54.000 0.017 0.000 0.899 133 D CB -0.266 40.543 40.800 0.016 0.000 0.907 133 D HN 0.168 nan 8.370 nan 0.000 0.514 134 G N -0.610 108.186 108.800 -0.007 0.000 2.141 134 G HA2 -0.317 3.644 3.960 0.001 0.000 0.231 134 G HA3 -0.317 3.644 3.960 0.001 0.000 0.231 134 G C 1.071 175.959 174.900 -0.020 0.000 0.984 134 G CA 0.726 45.799 45.100 -0.046 0.000 0.660 134 G HN 0.714 nan 8.290 nan 0.000 0.525 135 S N -0.800 114.907 115.700 0.013 0.000 2.503 135 S HA 0.427 4.897 4.470 0.001 0.000 0.217 135 S C 2.225 176.854 174.600 0.048 0.000 0.999 135 S CA 1.404 59.615 58.200 0.018 0.000 0.914 135 S CB 0.380 63.590 63.200 0.017 0.000 0.782 135 S HN 2.312 nan 8.310 nan 0.000 0.520 136 G N 0.605 109.460 108.800 0.092 0.000 2.143 136 G HA2 -0.087 3.874 3.960 0.001 0.000 0.249 136 G HA3 -0.087 3.874 3.960 0.001 0.000 0.249 136 G C 0.395 175.444 174.900 0.249 0.000 0.981 136 G CA -0.011 45.187 45.100 0.163 0.000 0.665 136 G HN 1.060 nan 8.290 nan 0.000 0.528 137 G N -0.963 107.920 108.800 0.137 0.000 2.557 137 G HA2 0.628 4.589 3.960 0.001 0.000 0.302 137 G HA3 0.628 4.589 3.960 0.001 0.000 0.302 137 G C 0.225 175.035 174.900 -0.150 0.000 1.311 137 G CA -0.849 44.262 45.100 0.019 0.000 1.030 137 G HN 0.320 nan 8.290 nan 0.000 0.509 138 R N -0.139 120.176 120.500 -0.308 0.000 2.641 138 R HA 0.154 4.494 4.340 0.001 0.000 0.269 138 R C 0.636 176.854 176.300 -0.136 0.000 1.074 138 R CA -0.425 55.443 56.100 -0.386 0.000 1.133 138 R CB 0.570 30.729 30.300 -0.234 0.000 1.029 138 R HN 0.624 nan 8.270 nan 0.000 0.488 139 R N 1.337 121.792 120.500 -0.075 0.000 2.438 139 R HA -0.027 4.314 4.340 0.001 0.000 0.287 139 R C -0.667 175.598 176.300 -0.058 0.000 1.077 139 R CA -0.242 55.831 56.100 -0.044 0.000 1.034 139 R CB 0.460 30.724 30.300 -0.061 0.000 0.993 139 R HN 0.452 nan 8.270 nan 0.000 0.459 140 D N 2.502 122.862 120.400 -0.068 0.000 2.352 140 D HA 0.101 4.741 4.640 0.001 0.000 0.245 140 D C -1.088 175.150 176.300 -0.103 0.000 1.224 140 D CA 0.235 54.193 54.000 -0.070 0.000 0.879 140 D CB 0.606 41.376 40.800 -0.050 0.000 1.057 140 D HN 0.552 nan 8.370 nan 0.000 0.491 141 S N 2.192 117.815 115.700 -0.129 0.000 2.638 141 S HA 0.293 4.764 4.470 0.001 0.000 0.274 141 S C 0.873 175.358 174.600 -0.192 0.000 1.157 141 S CA -0.797 57.312 58.200 -0.153 0.000 0.826 141 S CB 0.892 63.994 63.200 -0.164 0.000 1.139 141 S HN 0.372 nan 8.310 nan 0.000 0.474 142 N N 1.052 119.640 118.700 -0.186 0.000 2.205 142 N HA -0.116 4.625 4.740 0.001 0.000 0.186 142 N C 1.466 176.802 175.510 -0.290 0.000 1.015 142 N CA 1.578 54.511 53.050 -0.194 0.000 0.862 142 N CB -0.810 37.576 38.487 -0.169 0.000 0.986 142 N HN 0.599 nan 8.380 nan 0.000 0.429 143 L N -0.961 119.987 121.223 -0.459 0.000 2.027 143 L HA -0.098 4.242 4.340 0.001 0.000 0.206 143 L C 2.667 178.936 176.870 -1.002 0.000 1.074 143 L CA 1.283 55.627 54.840 -0.827 0.000 0.745 143 L CB -0.551 40.691 42.059 -1.363 0.000 0.898 143 L HN 0.237 nan 8.230 nan 0.000 0.433 144 Q N 0.713 120.058 119.800 -0.759 0.000 2.167 144 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 144 Q C 2.099 178.022 176.000 -0.128 0.000 0.970 144 Q CA 1.462 57.078 55.803 -0.311 0.000 0.855 144 Q CB -0.047 28.666 28.738 -0.043 0.000 0.911 144 Q HN 0.279 nan 8.270 nan 0.000 0.438 145 R N -0.665 119.741 120.500 -0.157 0.000 2.316 145 R HA -0.014 4.326 4.340 0.001 0.000 0.202 145 R C 1.688 177.952 176.300 -0.059 0.000 1.029 145 R CA 1.340 57.390 56.100 -0.083 0.000 1.018 145 R CB -0.139 30.109 30.300 -0.087 0.000 0.888 145 R HN 0.407 nan 8.270 nan 0.000 0.471 146 T N -2.845 111.660 114.554 -0.081 0.000 3.129 146 T HA 0.267 4.618 4.350 0.001 0.000 0.251 146 T C 0.710 175.438 174.700 0.047 0.000 1.117 146 T CA 0.257 62.343 62.100 -0.024 0.000 1.034 146 T CB 0.762 69.607 68.868 -0.037 0.000 0.968 146 T HN 0.281 nan 8.240 nan 0.000 0.526 147 G N 1.041 109.887 108.800 0.077 0.000 2.521 147 G HA2 -0.037 3.923 3.960 0.001 0.000 0.589 147 G HA3 -0.037 3.923 3.960 0.001 0.000 0.589 147 G C -0.128 174.925 174.900 0.255 0.000 1.501 147 G CA -0.373 44.806 45.100 0.133 0.000 0.887 147 G HN 0.122 nan 8.290 nan 0.000 0.654 148 N N 0.491 119.310 118.700 0.198 0.000 2.513 148 N HA -0.110 4.630 4.740 0.001 0.000 0.187 148 N C 1.739 177.367 175.510 0.196 0.000 1.056 148 N CA 1.863 55.043 53.050 0.217 0.000 0.907 148 N CB 0.204 38.756 38.487 0.108 0.000 0.954 148 N HN 0.641 nan 8.380 nan 0.000 0.445 149 D N -0.599 119.912 120.400 0.185 0.000 2.328 149 D HA -0.101 4.540 4.640 0.001 0.000 0.226 149 D C 1.639 178.035 176.300 0.159 0.000 1.066 149 D CA -0.200 53.873 54.000 0.121 0.000 0.861 149 D CB -0.853 39.998 40.800 0.086 0.000 0.912 149 D HN 0.539 nan 8.370 nan 0.000 0.521 150 W N 1.402 122.754 121.300 0.085 0.000 2.358 150 W HA -0.093 4.567 4.660 0.001 0.000 0.303 150 W C 1.550 178.158 176.519 0.147 0.000 1.208 150 W CA 0.120 57.522 57.345 0.096 0.000 1.274 150 W CB -1.117 28.395 29.460 0.085 0.000 1.138 150 W HN -0.102 nan 8.180 nan 0.000 0.515 151 I N 1.441 121.652 120.570 -0.599 0.000 2.099 151 I HA -0.330 3.840 4.170 0.001 0.000 0.239 151 I C 2.819 178.986 176.117 0.084 0.000 1.066 151 I CA 2.385 63.441 61.300 -0.407 0.000 1.324 151 I CB -0.863 36.936 38.000 -0.335 0.000 1.037 151 I HN 0.029 nan 8.210 nan 0.000 0.401 152 E N 0.972 121.160 120.200 -0.020 0.000 2.070 152 E HA -0.224 4.126 4.350 0.001 0.000 0.197 152 E C 2.298 178.875 176.600 -0.038 0.000 1.004 152 E CA 1.854 58.120 56.400 -0.223 0.000 0.805 152 E CB 0.087 29.584 29.700 -0.339 0.000 0.744 152 E HN 0.279 nan 8.360 nan 0.000 0.451 153 V N 1.138 121.065 119.914 0.022 0.000 2.407 153 V HA -0.275 3.845 4.120 0.001 0.000 0.248 153 V C 2.446 178.581 176.094 0.068 0.000 1.055 153 V CA 1.747 64.080 62.300 0.055 0.000 1.049 153 V CB -0.792 31.090 31.823 0.099 0.000 0.662 153 V HN 0.446 nan 8.190 nan 0.000 0.455 154 A N -0.425 122.445 122.820 0.083 0.000 1.877 154 A HA -0.202 4.119 4.320 0.001 0.000 0.216 154 A C 2.042 179.573 177.584 -0.089 0.000 1.186 154 A CA 1.931 53.973 52.037 0.008 0.000 0.620 154 A CB -0.724 18.267 19.000 -0.015 0.000 0.822 154 A HN 0.467 nan 8.150 nan 0.000 0.443 155 F N -0.226 119.721 119.950 -0.005 0.000 2.146 155 F HA -0.087 4.440 4.527 0.001 0.000 0.298 155 F C 2.599 178.381 175.800 -0.030 0.000 1.096 155 F CA 1.665 59.660 58.000 -0.008 0.000 1.275 155 F CB -0.251 38.736 39.000 -0.021 0.000 1.008 155 F HN 0.096 nan 8.300 nan 0.000 0.480 156 R N -0.578 119.992 120.500 0.116 0.000 2.096 156 R HA -0.117 4.223 4.340 0.001 0.000 0.235 156 R C 2.084 178.401 176.300 0.029 0.000 1.127 156 R CA 1.858 57.987 56.100 0.048 0.000 0.968 156 R CB -0.956 29.349 30.300 0.009 0.000 0.861 156 R HN 0.218 nan 8.270 nan 0.000 0.440 157 T N 0.962 115.526 114.554 0.016 0.000 2.674 157 T HA -0.138 4.213 4.350 0.001 0.000 0.265 157 T C 1.995 176.674 174.700 -0.034 0.000 1.039 157 T CA 1.430 63.526 62.100 -0.005 0.000 1.150 157 T CB -0.309 68.557 68.868 -0.003 0.000 0.864 157 T HN 0.376 nan 8.240 nan 0.000 0.427 158 A N 2.001 124.783 122.820 -0.062 0.000 1.892 158 A HA -0.196 4.125 4.320 0.001 0.000 0.218 158 A C 2.243 179.809 177.584 -0.030 0.000 1.188 158 A CA 2.293 54.269 52.037 -0.101 0.000 0.631 158 A CB -0.663 18.247 19.000 -0.150 0.000 0.822 158 A HN 0.351 nan 8.150 nan 0.000 0.447 159 R N 0.166 120.684 120.500 0.030 0.000 2.094 159 R HA -0.140 4.200 4.340 0.001 0.000 0.239 159 R C 2.161 178.475 176.300 0.023 0.000 1.137 159 R CA 2.347 58.477 56.100 0.050 0.000 0.943 159 R CB -0.990 29.349 30.300 0.066 0.000 0.850 159 R HN 0.426 nan 8.270 nan 0.000 0.433 160 A N 0.015 122.841 122.820 0.009 0.000 1.902 160 A HA -0.004 4.317 4.320 0.001 0.000 0.217 160 A C 2.401 179.978 177.584 -0.012 0.000 1.181 160 A CA 1.806 53.843 52.037 0.001 0.000 0.623 160 A CB -1.092 17.908 19.000 -0.001 0.000 0.818 160 A HN 0.526 nan 8.150 nan 0.000 0.443 161 A N -1.230 121.571 122.820 -0.032 0.000 1.902 161 A HA -0.017 4.303 4.320 0.001 0.000 0.217 161 A C 0.989 178.550 177.584 -0.039 0.000 1.181 161 A CA 1.868 53.872 52.037 -0.055 0.000 0.623 161 A CB -0.134 18.803 19.000 -0.105 0.000 0.818 161 A HN 0.437 nan 8.150 nan 0.000 0.443 162 D N -2.640 117.750 120.400 -0.017 0.000 2.337 162 D HA 0.211 4.852 4.640 0.001 0.000 0.238 162 D C -2.298 174.033 176.300 0.052 0.000 1.331 162 D CA -1.276 52.737 54.000 0.023 0.000 0.967 162 D CB 1.184 42.016 40.800 0.054 0.000 1.382 162 D HN 0.022 nan 8.370 nan 0.000 0.549 163 P HA -0.036 nan 4.420 nan 0.000 0.226 163 P C 0.984 178.323 177.300 0.066 0.000 1.153 163 P CA 0.402 63.534 63.100 0.054 0.000 0.777 163 P CB 0.386 32.109 31.700 0.037 0.000 0.794 164 A N -0.235 122.625 122.820 0.068 0.000 2.123 164 A HA 0.362 4.682 4.320 0.001 0.000 0.214 164 A C 1.449 179.089 177.584 0.093 0.000 1.152 164 A CA 0.442 52.521 52.037 0.070 0.000 0.728 164 A CB -0.696 18.338 19.000 0.057 0.000 0.814 164 A HN 0.302 nan 8.150 nan 0.000 0.464 165 A N 0.299 123.197 122.820 0.130 0.000 2.316 165 A HA 0.529 4.849 4.320 0.001 0.000 0.284 165 A C 0.026 177.714 177.584 0.174 0.000 1.115 165 A CA -0.528 51.614 52.037 0.175 0.000 0.812 165 A CB 0.280 19.472 19.000 0.321 0.000 1.064 165 A HN 0.342 nan 8.150 nan 0.000 0.489 166 K N 1.878 122.376 120.400 0.163 0.000 2.312 166 K HA 0.359 4.679 4.320 0.001 0.000 0.287 166 K C -1.014 175.725 176.600 0.231 0.000 1.062 166 K CA 0.080 56.468 56.287 0.170 0.000 0.934 166 K CB 0.701 33.284 32.500 0.137 0.000 1.027 166 K HN 0.577 nan 8.250 nan 0.000 0.478 167 L N 4.170 125.557 121.223 0.273 0.000 2.260 167 L HA 0.302 4.642 4.340 0.001 0.000 0.289 167 L C -0.259 176.895 176.870 0.474 0.000 1.057 167 L CA -0.842 54.229 54.840 0.384 0.000 0.811 167 L CB 0.699 43.047 42.059 0.482 0.000 1.184 167 L HN 0.638 nan 8.230 nan 0.000 0.429 168 c N 2.194 121.047 118.600 0.421 0.000 2.454 168 c HA 0.455 5.025 4.570 0.001 0.000 0.336 168 c C -0.177 174.198 174.090 0.475 0.000 1.189 168 c CA -0.883 55.666 56.329 0.366 0.000 1.877 168 c CB 1.421 44.043 42.510 0.186 0.000 2.348 168 c HN 0.628 nan 8.230 nan 0.000 0.508 169 Y N 2.856 123.337 120.300 0.302 0.000 2.331 169 Y HA 0.412 4.962 4.550 0.001 0.000 0.338 169 Y C 0.008 175.912 175.900 0.006 0.000 0.976 169 Y CA -0.248 58.011 58.100 0.267 0.000 1.137 169 Y CB 0.420 38.978 38.460 0.164 0.000 1.172 169 Y HN 0.785 nan 8.280 nan 0.000 0.478 170 N N 4.803 123.059 118.700 -0.739 0.000 2.361 170 N HA 0.350 5.091 4.740 0.001 0.000 0.302 170 N C -1.906 173.165 175.510 -0.732 0.000 1.074 170 N CA -0.301 52.394 53.050 -0.592 0.000 0.850 170 N CB 1.168 39.458 38.487 -0.328 0.000 1.228 170 N HN 0.801 nan 8.380 nan 0.000 0.491 171 D N 0.626 120.750 120.400 -0.461 0.000 2.710 171 D HA 0.194 4.834 4.640 0.001 0.000 0.276 171 D C -1.462 174.774 176.300 -0.107 0.000 1.267 171 D CA -0.245 53.610 54.000 -0.241 0.000 0.772 171 D CB 1.162 41.849 40.800 -0.189 0.000 1.299 171 D HN 0.452 nan 8.370 nan 0.000 0.421 172 Y N -0.331 119.936 120.300 -0.054 0.000 2.621 172 Y HA 0.529 5.080 4.550 0.001 0.000 0.334 172 Y C 0.721 176.628 175.900 0.012 0.000 1.074 172 Y CA -0.896 57.181 58.100 -0.037 0.000 1.149 172 Y CB 0.508 39.001 38.460 0.056 0.000 1.302 172 Y HN 0.584 nan 8.280 nan 0.000 0.501 173 N N 0.580 119.302 118.700 0.035 0.000 2.725 173 N HA -0.228 4.512 4.740 0.001 0.000 0.249 173 N C -0.162 175.279 175.510 -0.115 0.000 1.103 173 N CA 0.952 53.959 53.050 -0.072 0.000 0.707 173 N CB -1.061 37.505 38.487 0.132 0.000 1.043 173 N HN 0.789 nan 8.380 nan 0.000 0.553 174 I N -3.854 116.672 120.570 -0.074 0.000 3.833 174 I HA 0.285 4.455 4.170 0.001 0.000 0.328 174 I C 0.718 176.958 176.117 0.204 0.000 1.554 174 I CA -0.431 60.891 61.300 0.037 0.000 1.116 174 I CB 0.563 38.554 38.000 -0.015 0.000 1.182 174 I HN -0.153 nan 8.210 nan 0.000 0.459 175 E N 1.038 121.254 120.200 0.027 0.000 2.140 175 E HA 0.080 4.430 4.350 0.001 0.000 0.191 175 E C 0.721 177.349 176.600 0.046 0.000 0.973 175 E CA 0.309 56.728 56.400 0.032 0.000 0.829 175 E CB 0.047 29.513 29.700 -0.391 0.000 0.781 175 E HN 0.358 nan 8.360 nan 0.000 0.466 176 N N 0.883 119.452 118.700 -0.220 0.000 2.401 176 N HA -0.075 4.666 4.740 0.001 0.000 0.255 176 N C 0.130 175.670 175.510 0.050 0.000 1.110 176 N CA -0.052 52.870 53.050 -0.214 0.000 0.949 176 N CB 0.292 38.357 38.487 -0.703 0.000 1.110 176 N HN 0.296 nan 8.380 nan 0.000 0.490 177 W N 3.647 124.956 121.300 0.014 0.000 2.364 177 W HA -0.201 4.460 4.660 0.001 0.000 0.281 177 W C 1.173 177.750 176.519 0.098 0.000 1.219 177 W CA 1.868 59.248 57.345 0.058 0.000 1.220 177 W CB 0.103 29.568 29.460 0.008 0.000 1.127 177 W HN 0.607 nan 8.180 nan 0.000 0.556 178 T N -2.993 111.629 114.554 0.113 0.000 3.113 178 T HA -0.099 4.252 4.350 0.001 0.000 0.256 178 T C 0.181 174.985 174.700 0.172 0.000 1.131 178 T CA -0.023 62.125 62.100 0.079 0.000 1.074 178 T CB -0.603 68.379 68.868 0.189 0.000 0.944 178 T HN -0.055 nan 8.240 nan 0.000 0.516 179 W N 1.139 122.367 121.300 -0.121 0.000 2.261 179 W HA 0.728 5.388 4.660 0.001 0.000 0.323 179 W C 1.499 177.939 176.519 -0.132 0.000 1.243 179 W CA -1.299 55.995 57.345 -0.086 0.000 1.210 179 W CB 0.603 30.047 29.460 -0.026 0.000 1.149 179 W HN 0.143 nan 8.180 nan 0.000 0.562 180 A N 2.804 125.663 122.820 0.065 0.000 1.972 180 A HA -0.216 4.104 4.320 0.001 0.000 0.219 180 A C 2.024 179.639 177.584 0.052 0.000 1.169 180 A CA 1.783 53.825 52.037 0.009 0.000 0.635 180 A CB -0.481 18.513 19.000 -0.010 0.000 0.810 180 A HN 0.722 nan 8.150 nan 0.000 0.446 181 K N -0.750 119.727 120.400 0.130 0.000 2.057 181 K HA -0.137 4.183 4.320 0.001 0.000 0.207 181 K C 1.964 178.563 176.600 -0.002 0.000 1.049 181 K CA 1.860 58.214 56.287 0.110 0.000 0.931 181 K CB -0.309 32.293 32.500 0.170 0.000 0.714 181 K HN 0.459 nan 8.250 nan 0.000 0.440 182 T N 1.381 115.971 114.554 0.061 0.000 2.746 182 T HA -0.124 4.227 4.350 0.001 0.000 0.267 182 T C 1.767 176.463 174.700 -0.006 0.000 1.039 182 T CA 1.043 63.184 62.100 0.068 0.000 1.142 182 T CB -0.108 68.822 68.868 0.104 0.000 0.866 182 T HN 0.269 nan 8.240 nan 0.000 0.444 183 Q N 0.612 120.323 119.800 -0.149 0.000 2.079 183 Q HA 0.013 4.353 4.340 0.001 0.000 0.200 183 Q C 2.770 178.732 176.000 -0.063 0.000 0.974 183 Q CA 1.627 57.318 55.803 -0.185 0.000 0.840 183 Q CB -1.100 27.503 28.738 -0.225 0.000 0.898 183 Q HN 0.612 nan 8.270 nan 0.000 0.430 184 G N 0.506 109.260 108.800 -0.076 0.000 2.440 184 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 184 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 184 G C 1.623 176.298 174.900 -0.375 0.000 1.154 184 G CA 1.158 46.233 45.100 -0.041 0.000 0.767 184 G HN 0.279 nan 8.290 nan 0.000 0.552 185 V N -0.221 119.274 119.914 -0.697 0.000 2.358 185 V HA -0.161 3.959 4.120 0.001 0.000 0.246 185 V C 2.258 178.253 176.094 -0.165 0.000 1.047 185 V CA 1.667 63.550 62.300 -0.696 0.000 1.035 185 V CB -0.744 30.804 31.823 -0.458 0.000 0.658 185 V HN 0.465 nan 8.190 nan 0.000 0.452 186 Y N 2.192 122.448 120.300 -0.073 0.000 2.097 186 Y HA -0.268 4.283 4.550 0.001 0.000 0.282 186 Y C 2.557 178.298 175.900 -0.265 0.000 1.152 186 Y CA 2.115 60.032 58.100 -0.305 0.000 1.136 186 Y CB -0.442 37.821 38.460 -0.330 0.000 0.975 186 Y HN 0.291 nan 8.280 nan 0.000 0.498 187 N N 0.157 118.746 118.700 -0.184 0.000 2.166 187 N HA -0.239 4.501 4.740 0.001 0.000 0.186 187 N C 2.065 177.404 175.510 -0.284 0.000 1.019 187 N CA 1.785 54.706 53.050 -0.215 0.000 0.856 187 N CB -0.583 37.872 38.487 -0.052 0.000 0.993 187 N HN 0.542 nan 8.380 nan 0.000 0.426 188 M N 0.782 120.193 119.600 -0.316 0.000 2.067 188 M HA -0.116 4.365 4.480 0.001 0.000 0.260 188 M C 1.736 177.570 176.300 -0.777 0.000 1.069 188 M CA 1.381 56.375 55.300 -0.511 0.000 1.117 188 M CB -0.017 32.257 32.600 -0.544 0.000 1.334 188 M HN -0.142 nan 8.290 nan 0.000 0.407 189 V N 0.819 120.349 119.914 -0.640 0.000 2.407 189 V HA -0.281 3.840 4.120 0.001 0.000 0.248 189 V C 2.582 178.478 176.094 -0.330 0.000 1.055 189 V CA 2.228 64.243 62.300 -0.474 0.000 1.049 189 V CB -1.123 30.589 31.823 -0.185 0.000 0.662 189 V HN 0.560 nan 8.190 nan 0.000 0.455 190 R N 0.296 120.534 120.500 -0.438 0.000 2.073 190 R HA -0.238 4.103 4.340 0.001 0.000 0.234 190 R C 2.154 178.351 176.300 -0.172 0.000 1.134 190 R CA 2.405 58.287 56.100 -0.363 0.000 0.952 190 R CB -0.527 29.467 30.300 -0.511 0.000 0.850 190 R HN 0.608 nan 8.270 nan 0.000 0.433 191 D N -0.372 119.942 120.400 -0.144 0.000 2.104 191 D HA -0.192 4.449 4.640 0.001 0.000 0.194 191 D C 1.759 178.143 176.300 0.140 0.000 0.994 191 D CA 1.365 55.364 54.000 -0.002 0.000 0.830 191 D CB -0.132 40.683 40.800 0.025 0.000 0.959 191 D HN 0.159 nan 8.370 nan 0.000 0.452 192 F N 1.170 121.036 119.950 -0.140 0.000 2.091 192 F HA -0.118 4.410 4.527 0.001 0.000 0.299 192 F C 2.345 178.074 175.800 -0.118 0.000 1.103 192 F CA 0.987 58.901 58.000 -0.144 0.000 1.228 192 F CB -0.718 38.151 39.000 -0.219 0.000 0.984 192 F HN 0.019 nan 8.300 nan 0.000 0.477 193 K N 0.236 120.687 120.400 0.086 0.000 2.057 193 K HA -0.169 4.151 4.320 0.001 0.000 0.207 193 K C 1.956 178.559 176.600 0.005 0.000 1.049 193 K CA 1.243 57.541 56.287 0.019 0.000 0.931 193 K CB -0.624 31.864 32.500 -0.019 0.000 0.714 193 K HN 0.453 nan 8.250 nan 0.000 0.440 194 Q N 0.169 119.969 119.800 0.000 0.000 2.123 194 Q HA -0.048 4.293 4.340 0.001 0.000 0.199 194 Q C 1.849 177.849 176.000 0.000 0.000 0.966 194 Q CA 0.991 56.791 55.803 -0.004 0.000 0.845 194 Q CB -0.019 28.713 28.738 -0.011 0.000 0.907 194 Q HN 0.244 nan 8.270 nan 0.000 0.439 195 R N -0.504 120.000 120.500 0.007 0.000 2.310 195 R HA 0.082 4.422 4.340 0.001 0.000 0.202 195 R C 0.885 177.168 176.300 -0.029 0.000 0.933 195 R CA 0.585 56.679 56.100 -0.009 0.000 1.054 195 R CB 0.453 30.747 30.300 -0.009 0.000 0.985 195 R HN 0.387 nan 8.270 nan 0.000 0.489 196 G N 0.943 109.728 108.800 -0.024 0.000 2.157 196 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 196 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 196 G C 0.227 175.089 174.900 -0.063 0.000 0.979 196 G CA -0.022 45.059 45.100 -0.031 0.000 0.650 196 G HN 0.145 nan 8.290 nan 0.000 0.529 197 V N 3.025 122.869 119.914 -0.118 0.000 2.458 197 V HA 0.240 4.360 4.120 0.001 0.000 0.287 197 V C -0.821 175.187 176.094 -0.144 0.000 1.009 197 V CA -0.259 61.896 62.300 -0.241 0.000 1.091 197 V CB 0.770 32.208 31.823 -0.642 0.000 0.960 197 V HN 0.326 nan 8.190 nan 0.000 0.476 198 P HA 0.143 nan 4.420 nan 0.000 0.262 198 P C -0.488 176.833 177.300 0.035 0.000 1.455 198 P CA 0.528 63.635 63.100 0.011 0.000 1.217 198 P CB 0.289 32.025 31.700 0.059 0.000 1.625 199 I N 2.466 123.013 120.570 -0.039 0.000 2.466 199 I HA 0.260 4.430 4.170 0.001 0.000 0.289 199 I C 0.197 176.341 176.117 0.045 0.000 1.026 199 I CA -0.711 60.532 61.300 -0.094 0.000 1.078 199 I CB 2.210 40.014 38.000 -0.327 0.000 1.249 199 I HN -0.027 nan 8.210 nan 0.000 0.429 200 D N 5.803 126.281 120.400 0.129 0.000 2.423 200 D HA 0.129 4.770 4.640 0.001 0.000 0.208 200 D C 0.061 176.443 176.300 0.137 0.000 1.068 200 D CA 0.398 54.474 54.000 0.127 0.000 0.860 200 D CB 0.855 41.740 40.800 0.142 0.000 0.992 200 D HN 0.458 nan 8.370 nan 0.000 0.504 201 c N 0.175 118.873 118.600 0.163 0.000 3.239 201 c HA 0.647 5.217 4.570 0.001 0.000 0.317 201 c C -1.609 172.569 174.090 0.147 0.000 1.310 201 c CA -0.487 55.937 56.329 0.159 0.000 1.371 201 c CB 1.267 43.873 42.510 0.161 0.000 1.714 201 c HN -0.094 nan 8.230 nan 0.000 0.473 202 V N 3.282 123.256 119.914 0.099 0.000 2.487 202 V HA 0.747 4.867 4.120 0.001 0.000 0.298 202 V C 0.788 176.777 176.094 -0.175 0.000 1.028 202 V CA 0.346 62.598 62.300 -0.079 0.000 0.860 202 V CB 1.575 33.248 31.823 -0.250 0.000 0.991 202 V HN 1.271 nan 8.190 nan 0.000 0.427 203 G N 3.532 112.168 108.800 -0.273 0.000 2.335 203 G HA2 0.628 4.589 3.960 0.001 0.000 0.316 203 G HA3 0.628 4.589 3.960 0.001 0.000 0.316 203 G C -1.068 173.580 174.900 -0.419 0.000 1.129 203 G CA -0.262 44.718 45.100 -0.200 0.000 0.899 203 G HN 0.433 nan 8.290 nan 0.000 0.448 204 F N 1.492 121.389 119.950 -0.088 0.000 2.334 204 F HA 0.282 4.809 4.527 0.001 0.000 0.367 204 F C 1.698 177.384 175.800 -0.190 0.000 1.115 204 F CA -0.658 57.287 58.000 -0.092 0.000 1.116 204 F CB 1.855 40.920 39.000 0.109 0.000 1.230 204 F HN 0.543 nan 8.300 nan 0.000 0.484 205 Q N 1.284 120.972 119.800 -0.188 0.000 2.112 205 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 205 Q C 0.701 176.346 176.000 -0.591 0.000 0.987 205 Q CA 1.610 57.167 55.803 -0.410 0.000 0.858 205 Q CB -0.177 28.349 28.738 -0.354 0.000 0.905 205 Q HN 0.771 nan 8.270 nan 0.000 0.420 206 S N 0.159 115.501 115.700 -0.597 0.000 3.783 206 S HA -0.114 4.357 4.470 0.001 0.000 0.360 206 S C -0.775 173.109 174.600 -1.193 0.000 1.006 206 S CA 0.075 57.616 58.200 -1.098 0.000 1.115 206 S CB -1.537 61.292 63.200 -0.618 0.000 0.893 206 S HN 0.413 nan 8.310 nan 0.000 0.475 207 H N 0.682 119.353 119.070 -0.665 0.000 2.908 207 H HA 0.341 4.898 4.556 0.001 0.000 0.269 207 H C 0.024 175.164 175.328 -0.314 0.000 1.303 207 H CA -0.105 55.762 56.048 -0.303 0.000 1.341 207 H CB -0.242 29.508 29.762 -0.020 0.000 1.519 207 H HN 0.270 nan 8.280 nan 0.000 0.505 208 F N 2.847 122.841 119.950 0.074 0.000 2.394 208 F HA 0.208 4.735 4.527 0.001 0.000 0.340 208 F C 0.761 176.587 175.800 0.043 0.000 1.105 208 F CA -0.745 57.270 58.000 0.025 0.000 1.124 208 F CB 1.020 40.006 39.000 -0.024 0.000 1.145 208 F HN 0.523 nan 8.300 nan 0.000 0.505 209 N N -2.168 116.682 118.700 0.250 0.000 3.020 209 N HA 0.201 4.942 4.740 0.001 0.000 0.248 209 N C -0.025 175.565 175.510 0.133 0.000 1.480 209 N CA -0.424 52.715 53.050 0.148 0.000 0.874 209 N CB 0.591 39.135 38.487 0.096 0.000 1.433 209 N HN 0.236 nan 8.380 nan 0.000 0.530 210 S N -2.159 113.600 115.700 0.097 0.000 2.500 210 S HA 0.016 4.486 4.470 0.001 0.000 0.239 210 S C 1.492 176.158 174.600 0.110 0.000 0.989 210 S CA 1.037 59.292 58.200 0.091 0.000 0.951 210 S CB -1.114 62.126 63.200 0.067 0.000 0.759 210 S HN 0.781 nan 8.310 nan 0.000 0.523 211 G N 0.337 109.210 108.800 0.122 0.000 2.411 211 G HA2 0.141 4.102 3.960 0.001 0.000 0.213 211 G HA3 0.141 4.102 3.960 0.001 0.000 0.213 211 G C 0.644 175.680 174.900 0.227 0.000 1.166 211 G CA 0.505 45.694 45.100 0.148 0.000 0.802 211 G HN 0.602 nan 8.290 nan 0.000 0.533 212 S N 1.368 117.204 115.700 0.226 0.000 2.216 212 S HA 0.568 5.038 4.470 0.001 0.000 0.156 212 S C -2.868 171.856 174.600 0.207 0.000 1.665 212 S CA -1.214 57.135 58.200 0.248 0.000 1.262 212 S CB 1.211 64.551 63.200 0.233 0.000 1.207 212 S HN -0.045 nan 8.310 nan 0.000 0.427 213 P HA 0.154 nan 4.420 nan 0.000 0.274 213 P C -0.809 176.448 177.300 -0.071 0.000 1.237 213 P CA -0.369 62.787 63.100 0.092 0.000 0.793 213 P CB 0.256 31.993 31.700 0.062 0.000 0.977 214 Y N 2.295 122.311 120.300 -0.474 0.000 2.497 214 Y HA 0.196 4.747 4.550 0.001 0.000 0.334 214 Y C 0.049 175.687 175.900 -0.436 0.000 1.199 214 Y CA 0.382 57.878 58.100 -1.006 0.000 1.425 214 Y CB 0.279 38.016 38.460 -1.205 0.000 1.291 214 Y HN 0.295 nan 8.280 nan 0.000 0.562 215 N N 2.467 120.429 118.700 -1.230 0.000 2.225 215 N HA 0.079 4.819 4.740 0.001 0.000 0.298 215 N C 0.287 175.177 175.510 -1.033 0.000 1.076 215 N CA 0.223 52.792 53.050 -0.801 0.000 0.792 215 N CB 2.111 40.382 38.487 -0.361 0.000 1.498 215 N HN 0.827 nan 8.380 nan 0.000 0.474 216 S N 2.303 117.670 115.700 -0.556 0.000 2.440 216 S HA -0.234 4.236 4.470 0.001 0.000 0.240 216 S C 1.202 175.699 174.600 -0.171 0.000 1.014 216 S CA 1.489 59.530 58.200 -0.265 0.000 0.980 216 S CB -0.544 62.620 63.200 -0.060 0.000 0.775 216 S HN 0.783 nan 8.310 nan 0.000 0.499 217 N N 0.974 119.580 118.700 -0.156 0.000 2.571 217 N HA -0.054 4.686 4.740 0.001 0.000 0.189 217 N C 1.022 176.539 175.510 0.012 0.000 1.154 217 N CA 0.397 53.416 53.050 -0.052 0.000 0.907 217 N CB -0.968 37.535 38.487 0.027 0.000 0.977 217 N HN 0.432 nan 8.380 nan 0.000 0.449 218 F N 1.864 121.671 119.950 -0.239 0.000 2.171 218 F HA 0.031 4.558 4.527 0.001 0.000 0.300 218 F C 2.280 177.998 175.800 -0.137 0.000 1.090 218 F CA 0.914 58.814 58.000 -0.166 0.000 1.293 218 F CB -0.396 38.513 39.000 -0.153 0.000 1.013 218 F HN 0.107 nan 8.300 nan 0.000 0.486 219 R N -0.379 120.016 120.500 -0.175 0.000 2.081 219 R HA -0.138 4.202 4.340 0.001 0.000 0.235 219 R C 1.991 178.136 176.300 -0.258 0.000 1.131 219 R CA 2.014 57.942 56.100 -0.286 0.000 0.960 219 R CB -0.532 29.676 30.300 -0.153 0.000 0.856 219 R HN 0.283 nan 8.270 nan 0.000 0.436 220 T N -0.056 114.377 114.554 -0.201 0.000 2.746 220 T HA -0.106 4.244 4.350 0.001 0.000 0.267 220 T C 1.714 176.213 174.700 -0.336 0.000 1.039 220 T CA 1.851 63.782 62.100 -0.281 0.000 1.142 220 T CB -0.344 68.342 68.868 -0.304 0.000 0.866 220 T HN 0.361 nan 8.240 nan 0.000 0.444 221 T N 2.618 117.084 114.554 -0.147 0.000 2.684 221 T HA 0.009 4.359 4.350 0.001 0.000 0.267 221 T C 2.005 176.738 174.700 0.055 0.000 1.036 221 T CA 0.961 63.127 62.100 0.110 0.000 1.148 221 T CB -0.541 68.555 68.868 0.380 0.000 0.863 221 T HN 0.250 nan 8.240 nan 0.000 0.436 222 L N 0.706 121.756 121.223 -0.290 0.000 2.042 222 L HA -0.187 4.153 4.340 0.001 0.000 0.210 222 L C 2.889 179.695 176.870 -0.108 0.000 1.076 222 L CA 1.521 56.144 54.840 -0.361 0.000 0.749 222 L CB -0.627 41.066 42.059 -0.611 0.000 0.893 222 L HN 0.349 nan 8.230 nan 0.000 0.432 223 Q N -0.491 119.214 119.800 -0.158 0.000 2.167 223 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 223 Q C 1.993 177.941 176.000 -0.086 0.000 0.970 223 Q CA 1.128 56.859 55.803 -0.120 0.000 0.855 223 Q CB -0.100 28.539 28.738 -0.165 0.000 0.911 223 Q HN 0.491 nan 8.270 nan 0.000 0.438 224 N N 0.144 118.750 118.700 -0.156 0.000 2.142 224 N HA -0.100 4.640 4.740 0.001 0.000 0.186 224 N C 1.389 176.959 175.510 0.100 0.000 1.023 224 N CA 1.107 54.039 53.050 -0.197 0.000 0.852 224 N CB -0.216 37.836 38.487 -0.725 0.000 0.998 224 N HN 0.172 nan 8.380 nan 0.000 0.424 225 F N 1.360 121.419 119.950 0.182 0.000 2.206 225 F HA 0.038 4.566 4.527 0.001 0.000 0.298 225 F C 2.362 178.250 175.800 0.146 0.000 1.090 225 F CA 0.811 58.979 58.000 0.280 0.000 1.323 225 F CB -0.515 38.717 39.000 0.387 0.000 1.028 225 F HN -0.007 nan 8.300 nan 0.000 0.492 226 A N 0.083 123.055 122.820 0.254 0.000 1.940 226 A HA -0.140 4.180 4.320 0.001 0.000 0.219 226 A C 2.359 179.995 177.584 0.086 0.000 1.176 226 A CA 1.731 53.848 52.037 0.135 0.000 0.631 226 A CB -1.301 17.733 19.000 0.057 0.000 0.814 226 A HN 0.301 nan 8.150 nan 0.000 0.446 227 A N -0.557 122.301 122.820 0.063 0.000 2.125 227 A HA 0.049 4.370 4.320 0.001 0.000 0.219 227 A C 1.954 179.559 177.584 0.036 0.000 1.156 227 A CA 1.219 53.276 52.037 0.033 0.000 0.671 227 A CB -0.515 18.491 19.000 0.009 0.000 0.794 227 A HN 0.494 nan 8.150 nan 0.000 0.459 228 L N -1.614 119.639 121.223 0.050 0.000 2.478 228 L HA 0.114 4.454 4.340 0.001 0.000 0.223 228 L C 1.651 178.533 176.870 0.020 0.000 1.140 228 L CA 0.681 55.523 54.840 0.003 0.000 0.842 228 L CB -0.230 41.795 42.059 -0.056 0.000 0.953 228 L HN 0.595 nan 8.230 nan 0.000 0.452 229 G N 0.609 109.437 108.800 0.048 0.000 2.131 229 G HA2 -0.194 3.767 3.960 0.001 0.000 0.201 229 G HA3 -0.194 3.767 3.960 0.001 0.000 0.201 229 G C 0.021 174.961 174.900 0.067 0.000 1.000 229 G CA -0.007 45.121 45.100 0.046 0.000 0.680 229 G HN 0.206 nan 8.290 nan 0.000 0.514 230 V N -2.722 117.252 119.914 0.101 0.000 2.769 230 V HA 0.845 4.966 4.120 0.001 0.000 0.312 230 V C -0.122 176.056 176.094 0.139 0.000 1.061 230 V CA -1.547 60.826 62.300 0.122 0.000 0.931 230 V CB 2.059 33.972 31.823 0.151 0.000 1.010 230 V HN 0.045 nan 8.190 nan 0.000 0.433 231 D N 1.781 122.258 120.400 0.128 0.000 2.358 231 D HA 0.532 5.173 4.640 0.001 0.000 0.244 231 D C 0.055 176.450 176.300 0.159 0.000 1.163 231 D CA 0.171 54.244 54.000 0.122 0.000 0.945 231 D CB 2.017 42.884 40.800 0.112 0.000 1.152 231 D HN 0.929 nan 8.370 nan 0.000 0.451 232 V N -2.800 117.201 119.914 0.145 0.000 2.914 232 V HA 0.934 5.055 4.120 0.001 0.000 0.314 232 V C -0.835 175.349 176.094 0.151 0.000 1.084 232 V CA -0.975 61.449 62.300 0.207 0.000 0.963 232 V CB 1.577 33.508 31.823 0.181 0.000 1.025 232 V HN 0.678 nan 8.190 nan 0.000 0.432 233 A N 3.734 126.687 122.820 0.222 0.000 2.520 233 A HA 0.849 5.170 4.320 0.001 0.000 0.298 233 A C -0.962 176.745 177.584 0.204 0.000 1.051 233 A CA -0.651 51.479 52.037 0.154 0.000 0.690 233 A CB 1.527 20.631 19.000 0.173 0.000 1.281 233 A HN 0.956 nan 8.150 nan 0.000 0.402 234 I N 2.927 123.566 120.570 0.116 0.000 2.291 234 I HA 0.194 4.364 4.170 0.001 0.000 0.292 234 I C 1.537 177.678 176.117 0.041 0.000 1.064 234 I CA 0.047 61.427 61.300 0.133 0.000 1.269 234 I CB 1.482 39.553 38.000 0.119 0.000 1.418 234 I HN 0.907 nan 8.210 nan 0.000 0.485 235 T N 0.914 115.459 114.554 -0.016 0.000 3.044 235 T HA 0.149 4.499 4.350 0.001 0.000 0.255 235 T C 0.838 175.442 174.700 -0.161 0.000 1.073 235 T CA 0.383 62.433 62.100 -0.084 0.000 1.125 235 T CB 0.085 68.865 68.868 -0.148 0.000 0.908 235 T HN 0.579 nan 8.240 nan 0.000 0.480 236 E N 0.883 120.891 120.200 -0.321 0.000 3.843 236 E HA 0.318 4.669 4.350 0.001 0.000 0.189 236 E C -0.984 175.385 176.600 -0.384 0.000 1.013 236 E CA -0.491 55.659 56.400 -0.417 0.000 1.395 236 E CB 0.668 29.683 29.700 -1.142 0.000 1.136 236 E HN 0.240 nan 8.360 nan 0.000 0.444 237 L N 3.027 124.159 121.223 -0.152 0.000 2.559 237 L HA 0.059 4.400 4.340 0.001 0.000 0.274 237 L C -0.670 176.290 176.870 0.150 0.000 1.205 237 L CA 0.830 55.631 54.840 -0.065 0.000 0.907 237 L CB 0.074 42.176 42.059 0.073 0.000 1.153 237 L HN 0.161 nan 8.230 nan 0.000 0.490 238 D N 4.090 124.563 120.400 0.122 0.000 2.803 238 D HA 0.472 5.112 4.640 0.001 0.000 0.218 238 D C -1.013 175.380 176.300 0.156 0.000 1.245 238 D CA -0.340 53.832 54.000 0.287 0.000 0.821 238 D CB 0.517 41.602 40.800 0.476 0.000 1.626 238 D HN 0.396 nan 8.370 nan 0.000 0.487 239 I N 0.874 121.512 120.570 0.113 0.000 2.439 239 I HA 0.226 4.397 4.170 0.001 0.000 0.285 239 I C -0.105 176.086 176.117 0.124 0.000 1.021 239 I CA -0.928 60.411 61.300 0.065 0.000 1.091 239 I CB 2.097 39.977 38.000 -0.201 0.000 1.242 239 I HN 0.389 nan 8.210 nan 0.000 0.439 240 Q N 5.228 125.099 119.800 0.118 0.000 2.264 240 Q HA 0.136 4.476 4.340 0.001 0.000 0.296 240 Q C 1.124 177.174 176.000 0.083 0.000 1.103 240 Q CA 1.460 57.317 55.803 0.091 0.000 0.967 240 Q CB 0.319 29.099 28.738 0.071 0.000 1.090 240 Q HN 1.030 nan 8.270 nan 0.000 0.379 241 G N 3.185 112.037 108.800 0.087 0.000 2.234 241 G HA2 -0.320 3.641 3.960 0.001 0.000 0.235 241 G HA3 -0.320 3.641 3.960 0.001 0.000 0.235 241 G C 0.490 175.453 174.900 0.104 0.000 0.997 241 G CA 0.082 45.226 45.100 0.073 0.000 0.623 241 G HN 1.828 nan 8.290 nan 0.000 0.514 242 A N -0.877 122.045 122.820 0.170 0.000 2.687 242 A HA 0.085 4.405 4.320 0.001 0.000 0.299 242 A C 1.284 179.019 177.584 0.252 0.000 1.497 242 A CA 1.845 54.069 52.037 0.311 0.000 0.751 242 A CB -1.978 17.194 19.000 0.287 0.000 1.048 242 A HN 2.473 nan 8.150 nan 0.000 0.464 243 S N 0.002 115.788 115.700 0.143 0.000 2.575 243 S HA 0.296 4.766 4.470 0.001 0.000 0.295 243 S C 1.570 176.257 174.600 0.145 0.000 1.267 243 S CA 0.449 58.700 58.200 0.085 0.000 1.074 243 S CB 0.457 63.670 63.200 0.022 0.000 0.829 243 S HN 1.062 nan 8.310 nan 0.000 0.497 244 S N 4.310 120.068 115.700 0.097 0.000 2.370 244 S HA -0.099 4.372 4.470 0.001 0.000 0.226 244 S C 2.186 176.847 174.600 0.102 0.000 1.033 244 S CA 1.659 59.929 58.200 0.117 0.000 1.011 244 S CB -0.440 62.821 63.200 0.103 0.000 0.852 244 S HN 0.803 nan 8.310 nan 0.000 0.457 245 S N 1.126 116.859 115.700 0.055 0.000 2.368 245 S HA -0.079 4.391 4.470 0.001 0.000 0.224 245 S C 2.135 176.709 174.600 -0.042 0.000 1.029 245 S CA 1.454 59.668 58.200 0.023 0.000 0.988 245 S CB -0.603 62.608 63.200 0.018 0.000 0.838 245 S HN 0.591 nan 8.310 nan 0.000 0.462 246 T N 0.766 115.268 114.554 -0.087 0.000 2.821 246 T HA -0.051 4.300 4.350 0.001 0.000 0.267 246 T C 1.493 176.012 174.700 -0.302 0.000 1.046 246 T CA 1.072 62.996 62.100 -0.294 0.000 1.139 246 T CB -0.394 68.306 68.868 -0.279 0.000 0.871 246 T HN 0.340 nan 8.240 nan 0.000 0.454 247 Y N 1.540 121.775 120.300 -0.109 0.000 2.181 247 Y HA 0.029 4.580 4.550 0.001 0.000 0.288 247 Y C 2.664 178.538 175.900 -0.043 0.000 1.146 247 Y CA 0.611 58.690 58.100 -0.035 0.000 1.164 247 Y CB -0.681 37.793 38.460 0.022 0.000 0.982 247 Y HN 0.204 nan 8.280 nan 0.000 0.515 248 A N -0.526 122.359 122.820 0.108 0.000 1.930 248 A HA -0.041 4.280 4.320 0.001 0.000 0.217 248 A C 2.409 179.991 177.584 -0.004 0.000 1.175 248 A CA 1.467 53.533 52.037 0.049 0.000 0.627 248 A CB -1.133 17.887 19.000 0.033 0.000 0.815 248 A HN 0.395 nan 8.150 nan 0.000 0.443 249 A N -0.440 122.326 122.820 -0.089 0.000 1.877 249 A HA -0.009 4.311 4.320 0.001 0.000 0.216 249 A C 2.210 179.730 177.584 -0.107 0.000 1.186 249 A CA 1.792 53.755 52.037 -0.124 0.000 0.620 249 A CB -0.921 17.921 19.000 -0.264 0.000 0.822 249 A HN 0.369 nan 8.150 nan 0.000 0.443 250 V N -0.212 119.582 119.914 -0.200 0.000 2.343 250 V HA -0.221 3.900 4.120 0.001 0.000 0.247 250 V C 2.744 178.891 176.094 0.088 0.000 1.051 250 V CA 2.443 64.758 62.300 0.024 0.000 1.036 250 V CB -1.247 30.622 31.823 0.077 0.000 0.654 250 V HN 0.613 nan 8.190 nan 0.000 0.451 251 T N 0.343 114.956 114.554 0.099 0.000 2.684 251 T HA -0.180 4.171 4.350 0.001 0.000 0.267 251 T C 1.825 176.552 174.700 0.045 0.000 1.036 251 T CA 1.660 63.830 62.100 0.116 0.000 1.148 251 T CB -0.384 68.566 68.868 0.137 0.000 0.863 251 T HN 0.417 nan 8.240 nan 0.000 0.436 252 N N 1.216 119.930 118.700 0.023 0.000 2.309 252 N HA -0.080 4.660 4.740 0.001 0.000 0.182 252 N C 1.455 176.952 175.510 -0.022 0.000 1.018 252 N CA 0.842 53.893 53.050 0.000 0.000 0.876 252 N CB -0.327 38.162 38.487 0.002 0.000 0.972 252 N HN 0.383 nan 8.380 nan 0.000 0.434 253 D N 0.202 120.588 120.400 -0.024 0.000 2.117 253 D HA -0.096 4.545 4.640 0.001 0.000 0.198 253 D C 2.013 178.221 176.300 -0.153 0.000 0.982 253 D CA 0.517 54.461 54.000 -0.094 0.000 0.828 253 D CB -0.501 40.227 40.800 -0.119 0.000 0.967 253 D HN 0.198 nan 8.370 nan 0.000 0.464 254 c N 0.424 118.953 118.600 -0.120 0.000 2.446 254 c HA -0.014 4.557 4.570 0.001 0.000 0.277 254 c C 2.747 176.781 174.090 -0.093 0.000 1.275 254 c CA 0.256 56.508 56.329 -0.128 0.000 1.727 254 c CB -1.220 41.235 42.510 -0.092 0.000 2.010 254 c HN 0.277 nan 8.230 nan 0.000 0.486 255 L N 1.062 122.251 121.223 -0.057 0.000 2.265 255 L HA -0.052 4.289 4.340 0.001 0.000 0.215 255 L C 2.745 179.585 176.870 -0.051 0.000 1.117 255 L CA 1.336 56.150 54.840 -0.043 0.000 0.782 255 L CB -0.521 41.524 42.059 -0.024 0.000 0.914 255 L HN 0.451 nan 8.230 nan 0.000 0.441 256 A N -0.834 121.947 122.820 -0.065 0.000 2.208 256 A HA 0.166 4.486 4.320 0.001 0.000 0.209 256 A C 0.805 178.342 177.584 -0.079 0.000 1.161 256 A CA 0.249 52.245 52.037 -0.067 0.000 0.782 256 A CB 0.022 18.978 19.000 -0.072 0.000 0.816 256 A HN 0.126 nan 8.150 nan 0.000 0.477 257 V N 0.108 119.967 119.914 -0.092 0.000 2.350 257 V HA 0.215 4.335 4.120 0.001 0.000 0.285 257 V C 1.383 177.440 176.094 -0.061 0.000 1.014 257 V CA 0.100 62.346 62.300 -0.089 0.000 0.831 257 V CB 1.049 32.795 31.823 -0.128 0.000 1.000 257 V HN 0.395 nan 8.190 nan 0.000 0.433 258 S N 3.746 119.421 115.700 -0.042 0.000 2.402 258 S HA -0.176 4.294 4.470 0.001 0.000 0.233 258 S C 1.901 176.492 174.600 -0.015 0.000 1.030 258 S CA 1.737 59.922 58.200 -0.025 0.000 1.003 258 S CB -0.105 63.086 63.200 -0.015 0.000 0.813 258 S HN 0.709 nan 8.310 nan 0.000 0.477 259 R N 0.232 120.726 120.500 -0.010 0.000 2.299 259 R HA 0.201 4.542 4.340 0.001 0.000 0.197 259 R C 0.522 176.824 176.300 0.004 0.000 0.971 259 R CA 0.040 56.147 56.100 0.012 0.000 1.030 259 R CB -1.009 29.312 30.300 0.035 0.000 0.932 259 R HN 0.407 nan 8.270 nan 0.000 0.477 260 c N 1.220 119.798 118.600 -0.037 0.000 2.540 260 c HA 0.176 4.746 4.570 0.001 0.000 0.377 260 c C 1.816 175.856 174.090 -0.084 0.000 1.274 260 c CA -0.739 55.550 56.329 -0.066 0.000 1.718 260 c CB -1.271 41.169 42.510 -0.117 0.000 2.391 260 c HN 0.555 nan 8.230 nan 0.000 0.565 261 L N 5.469 126.654 121.223 -0.064 0.000 2.141 261 L HA 0.226 4.566 4.340 0.001 0.000 0.209 261 L C 1.562 178.154 176.870 -0.464 0.000 1.094 261 L CA 1.216 56.007 54.840 -0.081 0.000 0.763 261 L CB -0.742 41.399 42.059 0.137 0.000 0.908 261 L HN 0.942 nan 8.230 nan 0.000 0.437 262 G N -0.776 107.611 108.800 -0.688 0.000 2.317 262 G HA2 0.375 4.336 3.960 0.001 0.000 0.293 262 G HA3 0.375 4.336 3.960 0.001 0.000 0.293 262 G C -1.806 172.665 174.900 -0.716 0.000 1.287 262 G CA -0.780 43.642 45.100 -1.129 0.000 0.850 262 G HN -0.099 nan 8.290 nan 0.000 0.515 263 I N 0.302 120.508 120.570 -0.607 0.000 2.545 263 I HA 0.562 4.732 4.170 0.001 0.000 0.292 263 I C -0.441 175.418 176.117 -0.429 0.000 1.040 263 I CA -0.680 60.374 61.300 -0.410 0.000 1.068 263 I CB 2.719 40.446 38.000 -0.455 0.000 1.251 263 I HN 0.394 nan 8.210 nan 0.000 0.424 264 T N 5.054 119.499 114.554 -0.181 0.000 2.824 264 T HA 0.483 4.834 4.350 0.001 0.000 0.282 264 T C -0.423 174.249 174.700 -0.046 0.000 0.993 264 T CA -0.535 61.505 62.100 -0.101 0.000 0.967 264 T CB 1.769 70.664 68.868 0.045 0.000 0.960 264 T HN 0.373 nan 8.240 nan 0.000 0.441 265 V N 0.994 120.915 119.914 0.012 0.000 2.539 265 V HA 0.498 4.619 4.120 0.001 0.000 0.292 265 V C 0.191 176.410 176.094 0.207 0.000 1.045 265 V CA -1.166 61.256 62.300 0.204 0.000 0.945 265 V CB 1.423 33.481 31.823 0.391 0.000 0.993 265 V HN 1.012 nan 8.190 nan 0.000 0.464 266 W N 5.046 126.367 121.300 0.035 0.000 1.371 266 W HA 0.531 5.191 4.660 0.001 0.000 0.482 266 W C 0.590 177.150 176.519 0.069 0.000 0.640 266 W CA 0.740 58.089 57.345 0.006 0.000 2.164 266 W CB -0.064 29.429 29.460 0.055 0.000 1.613 266 W HN 1.238 nan 8.180 nan 0.000 0.212 267 G N 0.080 108.791 108.800 -0.148 0.000 2.340 267 G HA2 -0.101 3.859 3.960 0.001 0.000 0.527 267 G HA3 -0.101 3.859 3.960 0.001 0.000 0.527 267 G C -0.539 174.348 174.900 -0.021 0.000 1.381 267 G CA -0.647 44.381 45.100 -0.120 0.000 1.001 267 G HN 0.052 nan 8.290 nan 0.000 0.626 268 V N 0.416 120.335 119.914 0.009 0.000 2.398 268 V HA 0.295 4.415 4.120 0.001 0.000 0.236 268 V C 1.558 177.776 176.094 0.206 0.000 1.054 268 V CA 1.562 63.889 62.300 0.044 0.000 1.060 268 V CB -0.459 31.223 31.823 -0.234 0.000 0.707 268 V HN 0.691 nan 8.190 nan 0.000 0.480 269 R N 0.565 121.173 120.500 0.180 0.000 2.643 269 R HA 0.290 4.631 4.340 0.001 0.000 0.272 269 R C 0.666 177.085 176.300 0.198 0.000 0.995 269 R CA -0.632 55.598 56.100 0.218 0.000 1.032 269 R CB 0.816 31.215 30.300 0.166 0.000 1.126 269 R HN 0.179 nan 8.270 nan 0.000 0.505 270 D N 0.688 121.200 120.400 0.187 0.000 2.190 270 D HA -0.165 4.475 4.640 0.001 0.000 0.200 270 D C 1.625 178.002 176.300 0.129 0.000 0.992 270 D CA 2.119 56.215 54.000 0.159 0.000 0.854 270 D CB -0.148 40.728 40.800 0.127 0.000 0.936 270 D HN 0.687 nan 8.370 nan 0.000 0.462 271 T N -1.621 112.999 114.554 0.110 0.000 3.007 271 T HA -0.095 4.255 4.350 0.001 0.000 0.270 271 T C 1.120 175.868 174.700 0.081 0.000 1.107 271 T CA 0.765 62.914 62.100 0.082 0.000 1.118 271 T CB 0.042 68.948 68.868 0.064 0.000 0.889 271 T HN -0.006 nan 8.240 nan 0.000 0.506 272 D N 1.212 121.677 120.400 0.108 0.000 2.350 272 D HA 0.151 4.791 4.640 0.001 0.000 0.213 272 D C 0.809 177.177 176.300 0.114 0.000 1.031 272 D CA 0.127 54.181 54.000 0.091 0.000 0.861 272 D CB 0.195 41.082 40.800 0.145 0.000 0.926 272 D HN 0.417 nan 8.370 nan 0.000 0.520 273 S N 1.026 116.827 115.700 0.167 0.000 2.576 273 S HA 0.048 4.519 4.470 0.001 0.000 0.276 273 S C 1.237 176.026 174.600 0.314 0.000 1.339 273 S CA -0.809 57.556 58.200 0.275 0.000 1.039 273 S CB 0.606 63.967 63.200 0.268 0.000 0.902 273 S HN 0.340 nan 8.310 nan 0.000 0.516 274 W N 4.782 126.157 121.300 0.125 0.000 2.699 274 W HA 0.202 4.862 4.660 0.001 0.000 0.249 274 W C 0.305 176.872 176.519 0.080 0.000 1.280 274 W CA -0.081 57.331 57.345 0.111 0.000 1.345 274 W CB -0.719 28.848 29.460 0.179 0.000 1.128 274 W HN 0.621 nan 8.180 nan 0.000 0.642 275 R N 1.407 121.791 120.500 -0.193 0.000 2.718 275 R HA 0.070 4.411 4.340 0.001 0.000 0.307 275 R C 1.663 177.915 176.300 -0.081 0.000 1.244 275 R CA 0.511 56.412 56.100 -0.331 0.000 1.348 275 R CB 0.381 30.288 30.300 -0.656 0.000 1.304 275 R HN 0.046 nan 8.270 nan 0.000 0.663 276 S N -0.844 114.859 115.700 0.004 0.000 2.402 276 S HA -0.170 4.300 4.470 0.001 0.000 0.233 276 S C 2.015 176.629 174.600 0.022 0.000 1.030 276 S CA 1.451 59.677 58.200 0.044 0.000 1.003 276 S CB -0.249 62.983 63.200 0.053 0.000 0.813 276 S HN 0.552 nan 8.310 nan 0.000 0.477 277 G N 1.495 110.289 108.800 -0.011 0.000 2.479 277 G HA2 -0.148 3.812 3.960 0.001 0.000 0.220 277 G HA3 -0.148 3.812 3.960 0.001 0.000 0.220 277 G C 0.926 175.825 174.900 -0.001 0.000 1.115 277 G CA 0.951 46.046 45.100 -0.008 0.000 0.757 277 G HN 0.541 nan 8.290 nan 0.000 0.560 278 D N 0.499 120.893 120.400 -0.009 0.000 2.328 278 D HA 0.050 4.691 4.640 0.001 0.000 0.221 278 D C 1.452 177.786 176.300 0.057 0.000 1.072 278 D CA 0.959 54.967 54.000 0.013 0.000 0.850 278 D CB -0.319 40.476 40.800 -0.008 0.000 0.922 278 D HN 0.362 nan 8.370 nan 0.000 0.516 279 T N -0.254 114.340 114.554 0.066 0.000 3.318 279 T HA -0.160 4.191 4.350 0.001 0.000 0.413 279 T C -1.656 173.128 174.700 0.140 0.000 0.771 279 T CA 0.182 62.339 62.100 0.095 0.000 2.056 279 T CB -1.025 67.883 68.868 0.068 0.000 1.684 279 T HN 0.177 nan 8.240 nan 0.000 0.610 280 P HA 0.320 nan 4.420 nan 0.000 0.255 280 P C 0.684 178.218 177.300 0.390 0.000 1.248 280 P CA -0.236 63.021 63.100 0.262 0.000 0.807 280 P CB 0.416 32.258 31.700 0.238 0.000 1.150 281 L N -0.979 120.440 121.223 0.328 0.000 2.578 281 L HA 0.377 4.717 4.340 0.001 0.000 0.259 281 L C 1.958 178.943 176.870 0.192 0.000 1.082 281 L CA -1.053 53.993 54.840 0.343 0.000 0.843 281 L CB 0.420 42.673 42.059 0.325 0.000 1.535 281 L HN -0.284 nan 8.230 nan 0.000 0.510 282 L N -0.737 120.581 121.223 0.158 0.000 2.554 282 L HA 0.219 4.559 4.340 0.001 0.000 0.225 282 L C -0.548 176.178 176.870 -0.240 0.000 1.104 282 L CA 0.300 55.091 54.840 -0.081 0.000 0.866 282 L CB 0.150 42.160 42.059 -0.082 0.000 1.047 282 L HN 0.225 nan 8.230 nan 0.000 0.468 283 F N -0.752 119.248 119.950 0.084 0.000 2.563 283 F HA 0.380 4.908 4.527 0.001 0.000 0.316 283 F C 0.474 176.295 175.800 0.035 0.000 1.076 283 F CA -1.062 56.955 58.000 0.030 0.000 0.921 283 F CB 1.029 40.045 39.000 0.026 0.000 1.209 283 F HN -0.175 nan 8.300 nan 0.000 0.462 284 N N 0.453 119.256 118.700 0.171 0.000 2.379 284 N HA 0.151 4.891 4.740 0.001 0.000 0.260 284 N C 1.177 176.758 175.510 0.119 0.000 1.254 284 N CA 0.437 53.550 53.050 0.105 0.000 0.958 284 N CB 0.964 39.474 38.487 0.038 0.000 1.208 284 N HN 0.877 nan 8.380 nan 0.000 0.532 285 G N 0.211 109.061 108.800 0.083 0.000 2.442 285 G HA2 -0.263 3.697 3.960 0.001 0.000 0.219 285 G HA3 -0.263 3.697 3.960 0.001 0.000 0.219 285 G C 0.751 175.687 174.900 0.060 0.000 1.141 285 G CA 1.022 46.166 45.100 0.074 0.000 0.763 285 G HN 0.723 nan 8.290 nan 0.000 0.554 286 D N -0.553 119.874 120.400 0.046 0.000 2.363 286 D HA 0.217 4.857 4.640 0.001 0.000 0.226 286 D C 1.724 178.047 176.300 0.038 0.000 1.020 286 D CA 0.759 54.778 54.000 0.032 0.000 0.892 286 D CB -0.564 40.245 40.800 0.014 0.000 0.900 286 D HN 0.536 nan 8.370 nan 0.000 0.531 287 G N 0.033 108.876 108.800 0.071 0.000 2.176 287 G HA2 -0.285 3.675 3.960 0.001 0.000 0.253 287 G HA3 -0.285 3.675 3.960 0.001 0.000 0.253 287 G C 0.371 175.365 174.900 0.156 0.000 0.979 287 G CA 0.346 45.499 45.100 0.087 0.000 0.641 287 G HN 0.819 nan 8.290 nan 0.000 0.530 288 S N 0.078 115.834 115.700 0.094 0.000 2.580 288 S HA 0.586 5.057 4.470 0.001 0.000 0.274 288 S C 0.293 174.883 174.600 -0.017 0.000 1.329 288 S CA -0.252 57.966 58.200 0.030 0.000 1.036 288 S CB 1.596 64.774 63.200 -0.037 0.000 0.919 288 S HN 0.463 nan 8.310 nan 0.000 0.515 289 K N 1.988 122.275 120.400 -0.190 0.000 2.401 289 K HA 0.172 4.492 4.320 0.001 0.000 0.278 289 K C 0.209 176.629 176.600 -0.300 0.000 1.018 289 K CA -0.003 55.968 56.287 -0.526 0.000 0.981 289 K CB 0.490 32.578 32.500 -0.687 0.000 0.933 289 K HN 0.562 nan 8.250 nan 0.000 0.477 290 K N 0.823 121.050 120.400 -0.288 0.000 2.109 290 K HA 0.219 4.540 4.320 0.001 0.000 0.243 290 K C 1.164 177.720 176.600 -0.073 0.000 1.006 290 K CA -0.359 55.843 56.287 -0.143 0.000 0.917 290 K CB 0.922 33.356 32.500 -0.110 0.000 1.081 290 K HN 0.618 nan 8.250 nan 0.000 0.468 291 A N 1.063 123.868 122.820 -0.025 0.000 1.908 291 A HA -0.226 4.095 4.320 0.001 0.000 0.218 291 A C 2.159 179.769 177.584 0.044 0.000 1.181 291 A CA 2.342 54.416 52.037 0.061 0.000 0.627 291 A CB -1.006 18.042 19.000 0.079 0.000 0.818 291 A HN 0.786 nan 8.150 nan 0.000 0.445 292 A N -1.659 121.151 122.820 -0.016 0.000 1.972 292 A HA -0.089 4.231 4.320 0.001 0.000 0.219 292 A C 2.067 179.528 177.584 -0.204 0.000 1.169 292 A CA 1.610 53.601 52.037 -0.077 0.000 0.635 292 A CB -0.752 18.176 19.000 -0.119 0.000 0.810 292 A HN 0.787 nan 8.150 nan 0.000 0.446 293 Y N 1.193 121.294 120.300 -0.331 0.000 2.128 293 Y HA -0.211 4.340 4.550 0.001 0.000 0.284 293 Y C 2.548 178.283 175.900 -0.274 0.000 1.154 293 Y CA 2.452 60.310 58.100 -0.403 0.000 1.149 293 Y CB -0.719 37.398 38.460 -0.571 0.000 0.976 293 Y HN 0.282 nan 8.280 nan 0.000 0.505 294 T N 0.766 115.308 114.554 -0.020 0.000 2.867 294 T HA -0.130 4.221 4.350 0.001 0.000 0.268 294 T C 2.081 176.707 174.700 -0.123 0.000 1.057 294 T CA 1.184 63.257 62.100 -0.045 0.000 1.136 294 T CB -0.673 68.230 68.868 0.058 0.000 0.874 294 T HN 0.511 nan 8.240 nan 0.000 0.466 295 A N 0.917 123.689 122.820 -0.080 0.000 1.902 295 A HA -0.028 4.292 4.320 0.001 0.000 0.217 295 A C 2.552 180.075 177.584 -0.103 0.000 1.181 295 A CA 1.225 53.237 52.037 -0.042 0.000 0.623 295 A CB -0.895 18.126 19.000 0.035 0.000 0.818 295 A HN 0.359 nan 8.150 nan 0.000 0.443 296 V N -0.344 119.448 119.914 -0.202 0.000 2.307 296 V HA -0.206 3.915 4.120 0.001 0.000 0.245 296 V C 2.477 178.381 176.094 -0.317 0.000 1.045 296 V CA 1.859 64.019 62.300 -0.233 0.000 1.024 296 V CB -0.783 30.826 31.823 -0.356 0.000 0.651 296 V HN 0.586 nan 8.190 nan 0.000 0.449 297 L N 1.014 121.945 121.223 -0.488 0.000 2.042 297 L HA -0.180 4.160 4.340 0.001 0.000 0.210 297 L C 2.166 178.907 176.870 -0.214 0.000 1.076 297 L CA 2.061 56.650 54.840 -0.418 0.000 0.749 297 L CB -0.938 40.832 42.059 -0.481 0.000 0.893 297 L HN 0.327 nan 8.230 nan 0.000 0.432 298 N N 0.057 118.661 118.700 -0.161 0.000 2.188 298 N HA -0.099 4.641 4.740 0.001 0.000 0.184 298 N C 1.829 177.296 175.510 -0.071 0.000 1.018 298 N CA 1.483 54.478 53.050 -0.092 0.000 0.858 298 N CB -0.533 37.914 38.487 -0.066 0.000 0.989 298 N HN 0.535 nan 8.380 nan 0.000 0.426 299 A N 1.052 123.829 122.820 -0.072 0.000 1.898 299 A HA -0.013 4.307 4.320 0.001 0.000 0.216 299 A C 2.322 179.883 177.584 -0.039 0.000 1.181 299 A CA 0.822 52.835 52.037 -0.040 0.000 0.620 299 A CB -0.694 18.294 19.000 -0.020 0.000 0.819 299 A HN 0.203 nan 8.150 nan 0.000 0.442 300 L N -0.199 120.987 121.223 -0.062 0.000 2.083 300 L HA -0.150 4.190 4.340 0.001 0.000 0.209 300 L C 1.551 178.395 176.870 -0.043 0.000 1.083 300 L CA 0.947 55.759 54.840 -0.046 0.000 0.752 300 L CB -0.503 41.509 42.059 -0.079 0.000 0.899 300 L HN 0.349 nan 8.230 nan 0.000 0.433 301 N N 0.249 118.915 118.700 -0.057 0.000 2.521 301 N HA 0.006 4.747 4.740 0.001 0.000 0.188 301 N C 1.149 176.640 175.510 -0.031 0.000 1.146 301 N CA 1.012 54.037 53.050 -0.043 0.000 0.893 301 N CB 0.620 39.078 38.487 -0.049 0.000 0.975 301 N HN 0.439 nan 8.380 nan 0.000 0.451 302 G N -0.480 108.302 108.800 -0.028 0.000 2.131 302 G HA2 -0.083 3.878 3.960 0.001 0.000 0.201 302 G HA3 -0.083 3.878 3.960 0.001 0.000 0.201 302 G C 0.612 175.500 174.900 -0.021 0.000 1.000 302 G CA 0.273 45.360 45.100 -0.022 0.000 0.680 302 G HN 0.668 nan 8.290 nan 0.000 0.514 303 G N -0.704 108.081 108.800 -0.025 0.000 2.598 303 G HA2 0.108 4.069 3.960 0.001 0.000 0.269 303 G HA3 0.108 4.069 3.960 0.001 0.000 0.269 303 G C 0.355 175.242 174.900 -0.021 0.000 1.289 303 G CA 0.509 45.596 45.100 -0.022 0.000 0.926 303 G HN 1.704 nan 8.290 nan 0.000 0.567 304 S N -0.982 114.708 115.700 -0.016 0.000 2.681 304 S HA 0.593 5.064 4.470 0.001 0.000 0.299 304 S C 1.318 175.911 174.600 -0.012 0.000 1.113 304 S CA 0.167 58.358 58.200 -0.016 0.000 1.013 304 S CB 1.850 65.041 63.200 -0.016 0.000 1.076 304 S HN 0.940 nan 8.310 nan 0.000 0.534 305 S N 1.323 117.016 115.700 -0.011 0.000 2.537 305 S HA -0.001 4.470 4.470 0.001 0.000 0.240 305 S C 0.812 175.408 174.600 -0.007 0.000 0.981 305 S CA 0.801 58.996 58.200 -0.009 0.000 0.948 305 S CB -0.339 62.855 63.200 -0.010 0.000 0.759 305 S HN 0.901 nan 8.310 nan 0.000 0.531 306 T N -0.551 113.999 114.554 -0.006 0.000 2.993 306 T HA 0.494 4.845 4.350 0.001 0.000 0.312 306 T C -3.495 171.205 174.700 -0.000 0.000 1.115 306 T CA -2.211 59.888 62.100 -0.002 0.000 1.027 306 T CB 1.534 70.401 68.868 -0.001 0.000 1.116 306 T HN -0.307 nan 8.240 nan 0.000 0.464 307 P HA 0.260 nan 4.420 nan 0.000 0.261 307 P C -2.335 174.971 177.300 0.011 0.000 1.183 307 P CA -0.520 62.585 63.100 0.007 0.000 0.761 307 P CB -0.552 31.154 31.700 0.009 0.000 0.785 308 P HA 0.055 nan 4.420 nan 0.000 0.264 308 P C -2.072 175.246 177.300 0.031 0.000 1.183 308 P CA -0.459 62.654 63.100 0.021 0.000 0.763 308 P CB -0.713 31.007 31.700 0.033 0.000 0.807 309 P HA -0.015 nan 4.420 nan 0.000 0.269 309 P C -0.021 177.310 177.300 0.051 0.000 1.205 309 P CA 0.180 63.303 63.100 0.038 0.000 0.780 309 P CB 0.396 32.121 31.700 0.040 0.000 0.858 310 S N 1.142 116.869 115.700 0.044 0.000 2.497 310 S HA 0.505 4.976 4.470 0.001 0.000 0.193 310 S C 0.180 174.806 174.600 0.044 0.000 1.360 310 S CA 0.191 58.417 58.200 0.043 0.000 1.204 310 S CB -1.677 61.542 63.200 0.031 0.000 1.171 310 S HN 0.905 nan 8.310 nan 0.000 0.502 311 G N 1.175 110.011 108.800 0.060 0.000 2.825 311 G HA2 0.267 4.228 3.960 0.001 0.000 0.684 311 G HA3 0.267 4.228 3.960 0.001 0.000 0.684 311 G C 0.452 175.376 174.900 0.040 0.000 1.528 311 G CA -0.296 44.838 45.100 0.056 0.000 0.963 311 G HN 1.826 nan 8.290 nan 0.000 0.577 312 G N -0.571 108.248 108.800 0.032 0.000 2.434 312 G HA2 0.561 4.522 3.960 0.001 0.000 0.224 312 G HA3 0.561 4.522 3.960 0.001 0.000 0.224 312 G C 1.131 176.043 174.900 0.020 0.000 0.807 312 G CA 1.070 46.173 45.100 0.005 0.000 1.113 312 G HN 2.859 nan 8.290 nan 0.000 0.327 313 G N 1.181 110.005 108.800 0.040 0.000 2.632 313 G HA2 0.667 4.628 3.960 0.001 0.000 0.292 313 G HA3 0.667 4.628 3.960 0.001 0.000 0.292 313 G C -0.573 174.389 174.900 0.103 0.000 1.465 313 G CA -0.711 44.422 45.100 0.055 0.000 0.824 313 G HN 0.697 nan 8.290 nan 0.000 0.509 314 Q N -0.533 119.322 119.800 0.092 0.000 2.306 314 Q HA 0.543 4.884 4.340 0.001 0.000 0.241 314 Q C -0.391 175.681 176.000 0.120 0.000 0.948 314 Q CA -0.126 55.760 55.803 0.138 0.000 0.886 314 Q CB 2.145 30.942 28.738 0.099 0.000 1.227 314 Q HN 0.414 nan 8.270 nan 0.000 0.457 315 I N 2.059 122.699 120.570 0.116 0.000 2.420 315 I HA 0.270 4.440 4.170 0.001 0.000 0.282 315 I C -0.455 175.755 176.117 0.155 0.000 1.019 315 I CA -0.453 60.861 61.300 0.024 0.000 1.130 315 I CB 1.235 39.069 38.000 -0.277 0.000 1.262 315 I HN 0.370 nan 8.210 nan 0.000 0.454 316 K N 4.924 125.448 120.400 0.207 0.000 2.185 316 K HA 0.571 4.892 4.320 0.001 0.000 0.269 316 K C 0.172 176.918 176.600 0.244 0.000 0.987 316 K CA -0.478 55.942 56.287 0.221 0.000 0.865 316 K CB 1.614 34.181 32.500 0.112 0.000 1.090 316 K HN 0.699 nan 8.250 nan 0.000 0.450 317 G N 2.213 111.095 108.800 0.136 0.000 2.380 317 G HA2 0.135 4.096 3.960 0.001 0.000 0.262 317 G HA3 0.135 4.096 3.960 0.001 0.000 0.262 317 G C 0.896 175.636 174.900 -0.266 0.000 1.243 317 G CA -0.686 44.193 45.100 -0.369 0.000 0.865 317 G HN 0.500 nan 8.290 nan 0.000 0.513 318 V N 3.544 123.256 119.914 -0.337 0.000 2.307 318 V HA -0.109 4.011 4.120 0.001 0.000 0.245 318 V C 2.994 178.975 176.094 -0.189 0.000 1.045 318 V CA 2.464 64.639 62.300 -0.208 0.000 1.024 318 V CB -0.943 30.762 31.823 -0.197 0.000 0.651 318 V HN 0.793 nan 8.190 nan 0.000 0.449 319 G N -0.032 108.622 108.800 -0.244 0.000 2.422 319 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 319 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 319 G C 1.819 176.632 174.900 -0.145 0.000 1.146 319 G CA 1.397 46.387 45.100 -0.183 0.000 0.769 319 G HN 0.647 nan 8.290 nan 0.000 0.547 320 S N -1.159 114.446 115.700 -0.158 0.000 2.475 320 S HA 0.359 4.829 4.470 0.001 0.000 0.224 320 S C 1.975 176.529 174.600 -0.075 0.000 1.042 320 S CA 1.118 59.255 58.200 -0.105 0.000 0.935 320 S CB 0.025 63.170 63.200 -0.092 0.000 0.801 320 S HN 1.530 nan 8.310 nan 0.000 0.509 321 G N 1.487 110.243 108.800 -0.074 0.000 2.148 321 G HA2 -0.251 3.710 3.960 0.001 0.000 0.254 321 G HA3 -0.251 3.710 3.960 0.001 0.000 0.254 321 G C 0.090 174.987 174.900 -0.005 0.000 0.981 321 G CA 0.233 45.310 45.100 -0.038 0.000 0.670 321 G HN 0.613 nan 8.290 nan 0.000 0.528 322 R N -1.133 119.371 120.500 0.007 0.000 2.720 322 R HA 0.650 4.991 4.340 0.001 0.000 0.272 322 R C -0.048 176.335 176.300 0.138 0.000 0.991 322 R CA -0.437 55.696 56.100 0.054 0.000 1.010 322 R CB 1.343 31.658 30.300 0.026 0.000 1.141 322 R HN 0.198 nan 8.270 nan 0.000 0.494 323 c N 1.723 120.432 118.600 0.181 0.000 2.364 323 c HA 0.285 4.855 4.570 0.001 0.000 0.356 323 c C 0.067 174.304 174.090 0.246 0.000 1.201 323 c CA -0.714 55.748 56.329 0.222 0.000 2.227 323 c CB 0.517 43.153 42.510 0.209 0.000 2.387 323 c HN 0.600 nan 8.230 nan 0.000 0.546 324 L N 4.035 125.369 121.223 0.185 0.000 2.534 324 L HA 0.243 4.584 4.340 0.001 0.000 0.271 324 L C 0.043 177.110 176.870 0.328 0.000 1.178 324 L CA 1.272 56.158 54.840 0.077 0.000 0.907 324 L CB -0.226 41.587 42.059 -0.410 0.000 1.164 324 L HN 0.689 nan 8.230 nan 0.000 0.482 325 D N 3.906 124.483 120.400 0.295 0.000 2.819 325 D HA 0.259 4.899 4.640 0.001 0.000 0.232 325 D C -1.413 175.034 176.300 0.245 0.000 1.160 325 D CA -0.443 53.731 54.000 0.290 0.000 0.858 325 D CB 2.352 43.318 40.800 0.277 0.000 1.610 325 D HN 0.249 nan 8.370 nan 0.000 0.481 326 V N 4.433 124.457 119.914 0.184 0.000 2.368 326 V HA 0.266 4.386 4.120 0.001 0.000 0.266 326 V C -2.049 174.113 176.094 0.113 0.000 1.045 326 V CA -1.555 60.842 62.300 0.162 0.000 0.899 326 V CB 0.952 32.852 31.823 0.128 0.000 1.006 326 V HN 0.473 nan 8.190 nan 0.000 0.470 327 P HA -0.052 nan 4.420 nan 0.000 0.255 327 P C 0.501 177.815 177.300 0.024 0.000 1.151 327 P CA 0.732 63.855 63.100 0.038 0.000 0.767 327 P CB -0.013 31.720 31.700 0.055 0.000 0.736 328 N N 2.939 121.623 118.700 -0.026 0.000 2.693 328 N HA -0.288 4.453 4.740 0.001 0.000 0.249 328 N C 0.418 175.936 175.510 0.014 0.000 1.119 328 N CA 1.338 54.376 53.050 -0.021 0.000 0.717 328 N CB -1.708 36.768 38.487 -0.019 0.000 1.071 328 N HN 0.703 nan 8.380 nan 0.000 0.555 329 A N -1.461 121.396 122.820 0.061 0.000 2.832 329 A HA -0.262 4.058 4.320 0.001 0.000 0.280 329 A C 0.799 178.408 177.584 0.041 0.000 1.464 329 A CA 1.501 53.610 52.037 0.119 0.000 0.804 329 A CB -1.885 17.155 19.000 0.068 0.000 1.020 329 A HN 0.936 nan 8.150 nan 0.000 0.563 330 S N -0.689 115.047 115.700 0.060 0.000 2.584 330 S HA 0.498 4.969 4.470 0.001 0.000 0.270 330 S C 1.382 175.971 174.600 -0.020 0.000 1.346 330 S CA 0.965 59.166 58.200 0.003 0.000 1.018 330 S CB 0.655 63.880 63.200 0.043 0.000 0.899 330 S HN 1.661 nan 8.310 nan 0.000 0.542 331 T N -0.703 113.787 114.554 -0.107 0.000 3.170 331 T HA 0.223 4.573 4.350 0.001 0.000 0.288 331 T C 0.390 175.081 174.700 -0.015 0.000 0.992 331 T CA 0.148 62.174 62.100 -0.123 0.000 0.909 331 T CB -0.626 68.039 68.868 -0.338 0.000 1.133 331 T HN 0.726 nan 8.240 nan 0.000 0.530 332 T N 1.003 115.563 114.554 0.011 0.000 2.851 332 T HA 0.335 4.686 4.350 0.001 0.000 0.298 332 T C -0.406 174.337 174.700 0.071 0.000 0.977 332 T CA -0.637 61.478 62.100 0.024 0.000 1.126 332 T CB 0.445 69.327 68.868 0.024 0.000 0.916 332 T HN 0.061 nan 8.240 nan 0.000 0.529 333 D N 2.349 122.782 120.400 0.055 0.000 2.488 333 D HA 0.377 5.017 4.640 0.001 0.000 0.238 333 D C 1.537 177.952 176.300 0.191 0.000 1.138 333 D CA 1.578 55.653 54.000 0.125 0.000 0.873 333 D CB 0.528 41.329 40.800 0.001 0.000 1.183 333 D HN 1.063 nan 8.370 nan 0.000 0.458 334 G N 1.781 110.733 108.800 0.255 0.000 2.195 334 G HA2 -0.253 3.707 3.960 0.001 0.000 0.224 334 G HA3 -0.253 3.707 3.960 0.001 0.000 0.224 334 G C 0.483 175.473 174.900 0.149 0.000 0.990 334 G CA 0.079 45.295 45.100 0.195 0.000 0.639 334 G HN 0.554 nan 8.290 nan 0.000 0.514 335 T N 1.941 116.586 114.554 0.151 0.000 2.738 335 T HA 0.412 4.763 4.350 0.001 0.000 0.293 335 T C 0.459 175.244 174.700 0.142 0.000 0.913 335 T CA 0.367 62.545 62.100 0.131 0.000 1.103 335 T CB 1.308 70.254 68.868 0.130 0.000 0.880 335 T HN 0.552 nan 8.240 nan 0.000 0.526 336 Q N 3.400 123.272 119.800 0.120 0.000 2.337 336 Q HA 0.302 4.642 4.340 0.001 0.000 0.270 336 Q C 0.261 176.332 176.000 0.118 0.000 1.002 336 Q CA -0.687 55.184 55.803 0.114 0.000 0.888 336 Q CB 0.603 29.399 28.738 0.097 0.000 1.222 336 Q HN 0.639 nan 8.270 nan 0.000 0.400 337 V N 1.499 121.479 119.914 0.111 0.000 3.083 337 V HA 0.419 4.540 4.120 0.001 0.000 0.306 337 V C -0.376 175.780 176.094 0.102 0.000 1.077 337 V CA -0.315 62.055 62.300 0.115 0.000 1.073 337 V CB 1.155 33.019 31.823 0.068 0.000 1.081 337 V HN 1.016 nan 8.190 nan 0.000 0.474 338 Q N 1.880 121.758 119.800 0.129 0.000 2.693 338 Q HA 0.711 5.051 4.340 0.001 0.000 0.306 338 Q C -1.517 174.595 176.000 0.187 0.000 0.969 338 Q CA -1.150 54.742 55.803 0.148 0.000 0.757 338 Q CB 2.172 31.007 28.738 0.162 0.000 1.494 338 Q HN 0.669 nan 8.270 nan 0.000 0.459 339 L N 0.780 122.124 121.223 0.201 0.000 2.343 339 L HA 0.684 5.024 4.340 0.001 0.000 0.275 339 L C -1.236 175.798 176.870 0.272 0.000 1.056 339 L CA -0.866 54.103 54.840 0.214 0.000 0.804 339 L CB 1.088 43.236 42.059 0.147 0.000 1.203 339 L HN 0.662 nan 8.230 nan 0.000 0.440 340 Y N 0.260 120.632 120.300 0.118 0.000 2.573 340 Y HA 0.147 4.698 4.550 0.001 0.000 0.328 340 Y C -0.851 175.117 175.900 0.112 0.000 1.170 340 Y CA -1.182 56.980 58.100 0.103 0.000 1.078 340 Y CB 1.493 40.025 38.460 0.119 0.000 1.341 340 Y HN 0.562 nan 8.280 nan 0.000 0.459 341 D N 2.844 123.061 120.400 -0.306 0.000 2.658 341 D HA -0.030 4.610 4.640 0.001 0.000 0.230 341 D C -0.103 176.336 176.300 0.232 0.000 1.118 341 D CA 0.846 54.808 54.000 -0.063 0.000 0.848 341 D CB 0.369 41.068 40.800 -0.169 0.000 1.160 341 D HN 0.471 nan 8.370 nan 0.000 0.497 342 c N 4.586 123.300 118.600 0.191 0.000 2.653 342 c HA 0.258 4.829 4.570 0.001 0.000 0.421 342 c C 0.640 174.915 174.090 0.309 0.000 1.334 342 c CA -0.134 56.340 56.329 0.242 0.000 1.885 342 c CB -0.818 41.777 42.510 0.141 0.000 2.645 342 c HN 0.731 nan 8.230 nan 0.000 0.601 343 H N -0.668 118.462 119.070 0.101 0.000 3.037 343 H HA 0.331 4.888 4.556 0.001 0.000 0.336 343 H C -0.925 174.438 175.328 0.059 0.000 1.323 343 H CA -0.598 55.496 56.048 0.078 0.000 1.159 343 H CB 0.615 30.432 29.762 0.091 0.000 1.882 343 H HN 0.533 nan 8.280 nan 0.000 0.535 344 S N 1.284 116.958 115.700 -0.045 0.000 2.437 344 S HA 0.631 5.101 4.470 0.001 0.000 0.304 344 S C 0.130 174.611 174.600 -0.198 0.000 1.167 344 S CA 0.022 58.157 58.200 -0.109 0.000 1.106 344 S CB -0.667 62.525 63.200 -0.014 0.000 1.099 344 S HN 1.015 nan 8.310 nan 0.000 0.524 345 A N 2.934 125.568 122.820 -0.310 0.000 2.594 345 A HA 0.648 4.968 4.320 0.001 0.000 0.296 345 A C 0.820 178.287 177.584 -0.195 0.000 1.061 345 A CA -0.363 51.529 52.037 -0.241 0.000 0.689 345 A CB 0.314 19.105 19.000 -0.349 0.000 1.280 345 A HN 0.956 nan 8.150 nan 0.000 0.406 346 T N -0.567 113.924 114.554 -0.105 0.000 2.929 346 T HA -0.151 4.199 4.350 0.001 0.000 0.271 346 T C 1.051 175.594 174.700 -0.262 0.000 1.085 346 T CA 1.692 63.718 62.100 -0.122 0.000 1.125 346 T CB -0.565 68.317 68.868 0.023 0.000 0.874 346 T HN 0.836 nan 8.240 nan 0.000 0.494 347 N N 1.057 119.665 118.700 -0.153 0.000 2.515 347 N HA -0.042 4.699 4.740 0.001 0.000 0.191 347 N C 1.128 176.454 175.510 -0.306 0.000 1.182 347 N CA 0.238 53.143 53.050 -0.243 0.000 0.879 347 N CB -0.163 38.347 38.487 0.038 0.000 0.984 347 N HN 0.594 nan 8.380 nan 0.000 0.453 348 Q N -0.687 118.928 119.800 -0.309 0.000 2.113 348 Q HA 0.177 4.517 4.340 0.001 0.000 0.225 348 Q C -0.578 175.302 176.000 -0.201 0.000 0.786 348 Q CA -0.192 55.528 55.803 -0.138 0.000 0.989 348 Q CB 0.862 29.566 28.738 -0.057 0.000 1.174 348 Q HN 0.266 nan 8.270 nan 0.000 0.470 349 Q N 0.259 119.799 119.800 -0.434 0.000 2.430 349 Q HA 0.180 4.521 4.340 0.001 0.000 0.245 349 Q C -1.209 174.507 176.000 -0.474 0.000 1.021 349 Q CA 0.221 55.842 55.803 -0.304 0.000 0.867 349 Q CB 0.346 28.951 28.738 -0.222 0.000 1.210 349 Q HN 0.116 nan 8.270 nan 0.000 0.487 350 W N 1.273 122.503 121.300 -0.116 0.000 2.520 350 W HA 0.403 5.063 4.660 0.001 0.000 0.323 350 W C 0.144 176.631 176.519 -0.053 0.000 1.062 350 W CA -0.519 56.759 57.345 -0.112 0.000 1.215 350 W CB 1.476 30.849 29.460 -0.145 0.000 1.340 350 W HN 0.157 nan 8.180 nan 0.000 0.516 351 T N 2.857 117.516 114.554 0.175 0.000 2.770 351 T HA 0.160 4.510 4.350 0.001 0.000 0.283 351 T C -1.472 173.346 174.700 0.197 0.000 0.988 351 T CA -0.482 61.702 62.100 0.140 0.000 0.957 351 T CB 0.379 69.284 68.868 0.062 0.000 0.930 351 T HN 0.173 nan 8.240 nan 0.000 0.443 352 Y N 4.512 124.848 120.300 0.060 0.000 2.452 352 Y HA 0.375 4.926 4.550 0.001 0.000 0.348 352 Y C 1.001 176.933 175.900 0.052 0.000 0.985 352 Y CA -0.955 57.178 58.100 0.055 0.000 1.214 352 Y CB 0.056 38.536 38.460 0.033 0.000 1.136 352 Y HN 0.725 nan 8.280 nan 0.000 0.523 353 T N 0.881 115.250 114.554 -0.307 0.000 2.816 353 T HA 0.123 4.473 4.350 0.001 0.000 0.282 353 T C 0.822 175.279 174.700 -0.405 0.000 0.993 353 T CA -0.607 61.341 62.100 -0.252 0.000 0.994 353 T CB 0.891 69.673 68.868 -0.144 0.000 1.025 353 T HN 0.578 nan 8.240 nan 0.000 0.529 354 D N 0.658 120.940 120.400 -0.197 0.000 2.310 354 D HA 0.015 4.655 4.640 0.001 0.000 0.212 354 D C 1.997 178.207 176.300 -0.149 0.000 0.965 354 D CA 1.099 55.012 54.000 -0.144 0.000 0.879 354 D CB -0.367 40.404 40.800 -0.049 0.000 0.921 354 D HN 0.752 nan 8.370 nan 0.000 0.510 355 A N -0.320 122.401 122.820 -0.165 0.000 2.208 355 A HA 0.389 4.709 4.320 0.001 0.000 0.209 355 A C 1.733 179.215 177.584 -0.170 0.000 1.161 355 A CA 1.026 52.989 52.037 -0.124 0.000 0.782 355 A CB 0.023 18.968 19.000 -0.092 0.000 0.816 355 A HN 0.228 nan 8.150 nan 0.000 0.477 356 G N -0.567 108.026 108.800 -0.346 0.000 2.141 356 G HA2 -0.189 3.772 3.960 0.001 0.000 0.231 356 G HA3 -0.189 3.772 3.960 0.001 0.000 0.231 356 G C -0.207 174.641 174.900 -0.088 0.000 0.984 356 G CA 0.199 45.104 45.100 -0.325 0.000 0.660 356 G HN 0.607 nan 8.290 nan 0.000 0.525 357 E N -0.663 119.460 120.200 -0.127 0.000 2.318 357 E HA 0.676 5.027 4.350 0.001 0.000 0.265 357 E C 0.135 176.856 176.600 0.201 0.000 1.069 357 E CA -0.604 55.870 56.400 0.123 0.000 0.893 357 E CB 1.343 31.077 29.700 0.057 0.000 1.076 357 E HN 0.198 nan 8.360 nan 0.000 0.414 358 L N 2.669 124.069 121.223 0.295 0.000 2.337 358 L HA 0.365 4.705 4.340 0.001 0.000 0.269 358 L C -0.208 176.870 176.870 0.347 0.000 1.018 358 L CA -0.345 54.647 54.840 0.254 0.000 0.876 358 L CB 0.593 42.613 42.059 -0.065 0.000 1.236 358 L HN 0.294 nan 8.230 nan 0.000 0.436 359 R N 1.815 122.463 120.500 0.247 0.000 2.457 359 R HA 0.667 5.008 4.340 0.001 0.000 0.284 359 R C -0.853 175.415 176.300 -0.052 0.000 1.024 359 R CA -0.579 55.600 56.100 0.132 0.000 1.025 359 R CB 2.699 33.037 30.300 0.063 0.000 1.063 359 R HN 0.251 nan 8.270 nan 0.000 0.493 360 V N 3.702 123.451 119.914 -0.274 0.000 2.841 360 V HA 0.230 4.351 4.120 0.001 0.000 0.310 360 V C -1.002 174.814 176.094 -0.464 0.000 1.090 360 V CA -0.384 61.475 62.300 -0.735 0.000 0.930 360 V CB 1.255 32.157 31.823 -1.534 0.000 1.014 360 V HN 0.924 nan 8.190 nan 0.000 0.425 361 Y N 4.007 124.173 120.300 -0.224 0.000 4.916 361 Y HA -0.230 4.320 4.550 0.001 0.000 0.247 361 Y C 1.698 177.546 175.900 -0.086 0.000 0.962 361 Y CA 1.599 59.615 58.100 -0.139 0.000 1.933 361 Y CB -1.956 36.433 38.460 -0.119 0.000 1.451 361 Y HN 1.735 nan 8.280 nan 0.000 0.539 362 G N -0.707 108.110 108.800 0.029 0.000 2.358 362 G HA2 -0.344 3.617 3.960 0.001 0.000 0.224 362 G HA3 -0.344 3.617 3.960 0.001 0.000 0.224 362 G C 0.474 175.400 174.900 0.043 0.000 1.073 362 G CA 0.617 45.734 45.100 0.029 0.000 0.635 362 G HN 0.501 nan 8.290 nan 0.000 0.509 363 D N 0.125 120.567 120.400 0.070 0.000 2.620 363 D HA 0.404 5.045 4.640 0.001 0.000 0.260 363 D C 0.269 176.628 176.300 0.099 0.000 1.367 363 D CA -0.052 53.992 54.000 0.073 0.000 0.805 363 D CB 0.289 41.122 40.800 0.055 0.000 1.096 363 D HN 0.227 nan 8.370 nan 0.000 0.488 364 K N -0.207 120.263 120.400 0.118 0.000 2.207 364 K HA 0.595 4.916 4.320 0.001 0.000 0.255 364 K C -1.205 175.492 176.600 0.161 0.000 0.941 364 K CA -0.470 55.909 56.287 0.154 0.000 0.825 364 K CB 1.617 34.251 32.500 0.222 0.000 1.119 364 K HN -0.038 nan 8.250 nan 0.000 0.430 365 c N 2.910 121.654 118.600 0.239 0.000 2.507 365 c HA 0.443 5.014 4.570 0.001 0.000 0.319 365 c C -0.720 173.587 174.090 0.361 0.000 1.208 365 c CA -1.124 55.378 56.329 0.289 0.000 1.619 365 c CB 0.904 43.572 42.510 0.262 0.000 2.230 365 c HN 0.768 nan 8.230 nan 0.000 0.492 366 L N 4.197 125.645 121.223 0.374 0.000 2.534 366 L HA 0.262 4.603 4.340 0.001 0.000 0.271 366 L C 0.056 177.204 176.870 0.463 0.000 1.178 366 L CA 1.376 56.360 54.840 0.241 0.000 0.907 366 L CB -0.071 41.816 42.059 -0.288 0.000 1.164 366 L HN 0.667 nan 8.230 nan 0.000 0.482 367 D N 4.376 125.012 120.400 0.393 0.000 2.780 367 D HA 0.523 5.164 4.640 0.001 0.000 0.242 367 D C -1.389 175.095 176.300 0.306 0.000 1.135 367 D CA -0.494 53.725 54.000 0.365 0.000 0.859 367 D CB 2.152 43.136 40.800 0.306 0.000 1.530 367 D HN 0.669 nan 8.370 nan 0.000 0.493 368 A N 2.354 125.312 122.820 0.231 0.000 2.260 368 A HA 0.604 4.924 4.320 0.001 0.000 0.314 368 A C 0.303 177.920 177.584 0.055 0.000 1.257 368 A CA -0.416 51.713 52.037 0.154 0.000 0.871 368 A CB 0.962 20.009 19.000 0.079 0.000 1.166 368 A HN 0.542 nan 8.150 nan 0.000 0.522 369 A N 2.695 125.546 122.820 0.051 0.000 3.117 369 A HA 0.580 4.900 4.320 0.001 0.000 0.255 369 A C 0.943 178.529 177.584 0.004 0.000 1.583 369 A CA 0.614 52.657 52.037 0.009 0.000 1.234 369 A CB -1.171 17.841 19.000 0.020 0.000 1.076 369 A HN 2.441 nan 8.150 nan 0.000 0.653 370 G N -1.106 107.692 108.800 -0.004 0.000 2.357 370 G HA2 0.308 4.269 3.960 0.001 0.000 0.289 370 G HA3 0.308 4.269 3.960 0.001 0.000 0.289 370 G C 0.171 175.056 174.900 -0.025 0.000 1.302 370 G CA 0.431 45.524 45.100 -0.013 0.000 0.936 370 G HN 0.964 nan 8.290 nan 0.000 0.513 371 T N -2.526 112.008 114.554 -0.033 0.000 3.016 371 T HA 0.573 4.923 4.350 0.001 0.000 0.271 371 T C 1.118 175.784 174.700 -0.057 0.000 0.968 371 T CA 1.319 63.391 62.100 -0.047 0.000 0.891 371 T CB 0.687 69.526 68.868 -0.048 0.000 1.149 371 T HN 1.719 nan 8.240 nan 0.000 0.524 372 G N 1.243 110.005 108.800 -0.063 0.000 2.531 372 G HA2 0.517 4.478 3.960 0.001 0.000 0.313 372 G HA3 0.517 4.478 3.960 0.001 0.000 0.313 372 G C -0.533 174.270 174.900 -0.162 0.000 1.238 372 G CA -0.847 44.194 45.100 -0.100 0.000 0.994 372 G HN 0.216 nan 8.290 nan 0.000 0.493 373 N N -0.312 118.214 118.700 -0.290 0.000 2.412 373 N HA 0.277 5.018 4.740 0.001 0.000 0.254 373 N C 1.291 176.583 175.510 -0.364 0.000 1.232 373 N CA 1.396 54.075 53.050 -0.618 0.000 0.880 373 N CB 1.134 38.983 38.487 -1.063 0.000 1.076 373 N HN 1.133 nan 8.380 nan 0.000 0.458 374 G N 0.793 109.464 108.800 -0.215 0.000 2.176 374 G HA2 -0.292 3.669 3.960 0.001 0.000 0.253 374 G HA3 -0.292 3.669 3.960 0.001 0.000 0.253 374 G C 0.247 175.180 174.900 0.056 0.000 0.979 374 G CA 0.393 45.532 45.100 0.065 0.000 0.641 374 G HN 0.626 nan 8.290 nan 0.000 0.530 375 T N 1.641 116.206 114.554 0.017 0.000 2.902 375 T HA 0.319 4.669 4.350 0.001 0.000 0.301 375 T C 0.697 175.443 174.700 0.077 0.000 1.012 375 T CA 0.705 62.827 62.100 0.037 0.000 1.151 375 T CB 1.043 69.924 68.868 0.022 0.000 0.946 375 T HN 0.515 nan 8.240 nan 0.000 0.542 376 K N 2.984 123.428 120.400 0.074 0.000 2.401 376 K HA 0.235 4.555 4.320 0.001 0.000 0.278 376 K C -0.859 175.803 176.600 0.104 0.000 1.018 376 K CA -0.380 55.959 56.287 0.088 0.000 0.981 376 K CB 0.409 32.956 32.500 0.078 0.000 0.933 376 K HN 0.298 nan 8.250 nan 0.000 0.477 377 V N 5.777 125.754 119.914 0.105 0.000 2.384 377 V HA 0.223 4.344 4.120 0.001 0.000 0.287 377 V C 0.021 176.173 176.094 0.097 0.000 1.020 377 V CA -0.424 61.943 62.300 0.110 0.000 0.850 377 V CB 1.098 32.949 31.823 0.046 0.000 0.987 377 V HN 0.976 nan 8.190 nan 0.000 0.436 378 Q N 5.568 125.452 119.800 0.139 0.000 3.019 378 Q HA 0.711 5.051 4.340 0.001 0.000 0.337 378 Q C -1.031 175.106 176.000 0.228 0.000 0.900 378 Q CA -0.985 54.918 55.803 0.167 0.000 0.800 378 Q CB 2.633 31.473 28.738 0.170 0.000 1.437 378 Q HN 0.654 nan 8.270 nan 0.000 0.505 379 I N -1.941 118.787 120.570 0.263 0.000 2.562 379 I HA 0.783 4.954 4.170 0.001 0.000 0.301 379 I C -1.430 174.906 176.117 0.364 0.000 1.003 379 I CA -1.032 60.453 61.300 0.309 0.000 1.127 379 I CB 1.766 39.934 38.000 0.280 0.000 1.304 379 I HN 0.717 nan 8.210 nan 0.000 0.446 380 Y N 2.361 122.784 120.300 0.206 0.000 2.558 380 Y HA 0.392 4.942 4.550 0.001 0.000 0.333 380 Y C -0.481 175.546 175.900 0.212 0.000 1.125 380 Y CA -0.696 57.521 58.100 0.195 0.000 1.039 380 Y CB 2.115 40.706 38.460 0.219 0.000 1.331 380 Y HN 0.784 nan 8.280 nan 0.000 0.456 381 S N 2.652 118.239 115.700 -0.188 0.000 2.593 381 S HA 0.011 4.482 4.470 0.001 0.000 0.300 381 S C -0.327 174.429 174.600 0.260 0.000 1.267 381 S CA -0.058 58.122 58.200 -0.032 0.000 1.065 381 S CB -0.412 62.669 63.200 -0.198 0.000 0.807 381 S HN 0.633 nan 8.310 nan 0.000 0.499 382 c N 5.430 124.168 118.600 0.231 0.000 2.648 382 c HA 0.195 4.765 4.570 0.001 0.000 0.419 382 c C 1.501 175.789 174.090 0.330 0.000 1.352 382 c CA -0.430 56.048 56.329 0.248 0.000 1.816 382 c CB -0.981 41.614 42.510 0.142 0.000 2.598 382 c HN 1.090 nan 8.230 nan 0.000 0.598 383 W N 0.984 122.355 121.300 0.118 0.000 1.807 383 W HA 0.367 5.027 4.660 0.001 0.000 0.251 383 W C 0.689 177.249 176.519 0.068 0.000 0.848 383 W CA 0.191 57.591 57.345 0.091 0.000 1.157 383 W CB -0.803 28.729 29.460 0.120 0.000 0.992 383 W HN 0.943 nan 8.180 nan 0.000 0.506 384 G N 1.460 110.003 108.800 -0.428 0.000 2.157 384 G HA2 -0.158 3.802 3.960 0.001 0.000 0.239 384 G HA3 -0.158 3.802 3.960 0.001 0.000 0.239 384 G C 0.624 175.027 174.900 -0.827 0.000 0.982 384 G CA -0.096 44.726 45.100 -0.463 0.000 0.650 384 G HN 0.669 nan 8.290 nan 0.000 0.527 385 G N -0.337 107.418 108.800 -1.742 0.000 2.554 385 G HA2 0.409 4.369 3.960 0.001 0.000 0.238 385 G HA3 0.409 4.369 3.960 0.001 0.000 0.238 385 G C 0.589 175.096 174.900 -0.655 0.000 1.259 385 G CA 0.446 44.655 45.100 -1.484 0.000 0.843 385 G HN 0.066 nan 8.290 nan 0.000 0.582 386 D N 0.012 120.172 120.400 -0.401 0.000 2.310 386 D HA -0.119 4.521 4.640 0.001 0.000 0.212 386 D C 2.070 178.149 176.300 -0.369 0.000 0.965 386 D CA 0.746 54.557 54.000 -0.315 0.000 0.879 386 D CB 0.166 40.843 40.800 -0.206 0.000 0.921 386 D HN 0.580 nan 8.370 nan 0.000 0.510 387 N N 0.136 118.646 118.700 -0.317 0.000 2.461 387 N HA -0.093 4.647 4.740 0.001 0.000 0.188 387 N C 0.713 176.014 175.510 -0.348 0.000 1.134 387 N CA 0.250 53.115 53.050 -0.308 0.000 0.878 387 N CB 0.078 38.494 38.487 -0.118 0.000 0.972 387 N HN 0.256 nan 8.380 nan 0.000 0.456 388 Q N -0.242 119.334 119.800 -0.373 0.000 2.149 388 Q HA 0.255 4.596 4.340 0.001 0.000 0.221 388 Q C -0.517 175.315 176.000 -0.280 0.000 0.807 388 Q CA -0.067 55.632 55.803 -0.173 0.000 1.000 388 Q CB 1.012 29.678 28.738 -0.120 0.000 1.157 388 Q HN 0.255 nan 8.270 nan 0.000 0.487 389 K N 0.415 120.448 120.400 -0.612 0.000 2.221 389 K HA 0.465 4.785 4.320 0.001 0.000 0.258 389 K C -1.389 174.762 176.600 -0.749 0.000 0.944 389 K CA -0.356 55.663 56.287 -0.446 0.000 0.823 389 K CB 1.293 33.621 32.500 -0.287 0.000 1.113 389 K HN -0.097 nan 8.250 nan 0.000 0.431 390 W N 1.089 122.421 121.300 0.054 0.000 2.950 390 W HA 0.478 5.138 4.660 0.001 0.000 0.340 390 W C -0.333 176.266 176.519 0.133 0.000 1.139 390 W CA -0.850 56.535 57.345 0.067 0.000 1.188 390 W CB 1.184 30.666 29.460 0.036 0.000 1.426 390 W HN 0.180 nan 8.180 nan 0.000 0.531 391 R N 1.990 122.641 120.500 0.252 0.000 2.387 391 R HA 0.517 4.857 4.340 0.001 0.000 0.314 391 R C -0.838 175.485 176.300 0.038 0.000 0.958 391 R CA -0.977 55.205 56.100 0.137 0.000 0.846 391 R CB 1.353 31.698 30.300 0.077 0.000 1.147 391 R HN 0.418 nan 8.270 nan 0.000 0.447 392 L N 4.061 125.231 121.223 -0.089 0.000 2.358 392 L HA 0.238 4.578 4.340 0.001 0.000 0.274 392 L C -0.079 176.749 176.870 -0.070 0.000 1.136 392 L CA -0.701 54.041 54.840 -0.163 0.000 0.970 392 L CB -0.177 41.662 42.059 -0.366 0.000 1.314 392 L HN 0.411 nan 8.230 nan 0.000 0.427 393 N N 0.735 119.425 118.700 -0.016 0.000 2.416 393 N HA -0.035 4.705 4.740 0.001 0.000 0.246 393 N C 1.339 176.842 175.510 -0.011 0.000 1.260 393 N CA 0.164 53.214 53.050 0.000 0.000 0.897 393 N CB 1.213 39.715 38.487 0.024 0.000 1.110 393 N HN 0.515 nan 8.380 nan 0.000 0.439 394 S N -0.151 115.541 115.700 -0.014 0.000 2.442 394 S HA -0.181 4.289 4.470 0.001 0.000 0.236 394 S C 0.873 175.466 174.600 -0.011 0.000 1.007 394 S CA 1.069 59.258 58.200 -0.018 0.000 0.965 394 S CB -0.194 62.993 63.200 -0.022 0.000 0.773 394 S HN 0.710 nan 8.310 nan 0.000 0.504 395 D N 0.516 120.914 120.400 -0.003 0.000 2.336 395 D HA 0.253 4.893 4.640 0.001 0.000 0.229 395 D C 1.379 177.680 176.300 0.001 0.000 1.061 395 D CA 0.571 54.569 54.000 -0.004 0.000 0.875 395 D CB -0.629 40.170 40.800 -0.003 0.000 0.904 395 D HN 0.572 nan 8.370 nan 0.000 0.525 396 G N 0.017 108.825 108.800 0.015 0.000 2.195 396 G HA2 -0.276 3.684 3.960 0.001 0.000 0.246 396 G HA3 -0.276 3.684 3.960 0.001 0.000 0.246 396 G C 0.395 175.367 174.900 0.120 0.000 0.984 396 G CA 0.338 45.463 45.100 0.042 0.000 0.633 396 G HN 0.819 nan 8.290 nan 0.000 0.525 397 S N -0.220 115.541 115.700 0.102 0.000 2.617 397 S HA 0.759 5.230 4.470 0.001 0.000 0.269 397 S C 0.029 174.717 174.600 0.147 0.000 1.292 397 S CA -0.578 57.725 58.200 0.173 0.000 1.010 397 S CB 1.941 65.207 63.200 0.110 0.000 0.944 397 S HN 0.618 nan 8.310 nan 0.000 0.536 398 I N 2.080 122.748 120.570 0.162 0.000 2.411 398 I HA 0.323 4.493 4.170 0.001 0.000 0.284 398 I C -1.083 175.138 176.117 0.173 0.000 1.012 398 I CA -0.900 60.432 61.300 0.053 0.000 1.119 398 I CB 1.809 39.679 38.000 -0.217 0.000 1.261 398 I HN 0.418 nan 8.210 nan 0.000 0.448 399 V N 4.869 124.901 119.914 0.196 0.000 2.427 399 V HA 0.492 4.613 4.120 0.001 0.000 0.286 399 V C 0.837 177.052 176.094 0.201 0.000 1.034 399 V CA -0.693 61.722 62.300 0.192 0.000 0.893 399 V CB 1.507 33.381 31.823 0.085 0.000 0.982 399 V HN 0.848 nan 8.190 nan 0.000 0.452 400 G N 2.730 111.584 108.800 0.090 0.000 2.378 400 G HA2 0.362 4.322 3.960 0.001 0.000 0.255 400 G HA3 0.362 4.322 3.960 0.001 0.000 0.255 400 G C 0.921 175.638 174.900 -0.304 0.000 1.270 400 G CA -0.280 44.575 45.100 -0.407 0.000 0.876 400 G HN 0.554 nan 8.290 nan 0.000 0.521 401 V N 2.101 121.789 119.914 -0.378 0.000 2.255 401 V HA -0.277 3.844 4.120 0.001 0.000 0.247 401 V C 2.879 178.848 176.094 -0.208 0.000 1.051 401 V CA 2.460 64.614 62.300 -0.243 0.000 1.018 401 V CB -0.686 30.992 31.823 -0.242 0.000 0.641 401 V HN 0.876 nan 8.190 nan 0.000 0.445 402 Q N 0.162 119.811 119.800 -0.251 0.000 2.084 402 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 402 Q C 2.378 178.298 176.000 -0.133 0.000 0.978 402 Q CA 2.304 58.003 55.803 -0.173 0.000 0.844 402 Q CB -0.105 28.525 28.738 -0.179 0.000 0.898 402 Q HN 0.778 nan 8.270 nan 0.000 0.426 403 S N -1.782 113.827 115.700 -0.152 0.000 2.439 403 S HA 0.138 4.609 4.470 0.001 0.000 0.224 403 S C 1.485 176.042 174.600 -0.072 0.000 1.029 403 S CA 0.743 58.884 58.200 -0.098 0.000 0.946 403 S CB 0.214 63.361 63.200 -0.088 0.000 0.797 403 S HN 0.679 nan 8.310 nan 0.000 0.504 404 G N 1.041 109.794 108.800 -0.078 0.000 2.148 404 G HA2 -0.213 3.748 3.960 0.001 0.000 0.254 404 G HA3 -0.213 3.748 3.960 0.001 0.000 0.254 404 G C -0.088 174.806 174.900 -0.010 0.000 0.981 404 G CA 0.587 45.659 45.100 -0.047 0.000 0.670 404 G HN 0.559 nan 8.290 nan 0.000 0.528 405 L N -0.543 120.682 121.223 0.004 0.000 2.352 405 L HA 0.599 4.939 4.340 0.001 0.000 0.269 405 L C 0.830 177.774 176.870 0.124 0.000 1.034 405 L CA -1.199 53.672 54.840 0.051 0.000 0.806 405 L CB 1.671 43.748 42.059 0.030 0.000 1.244 405 L HN 0.159 nan 8.230 nan 0.000 0.447 406 c N 1.826 120.518 118.600 0.154 0.000 2.405 406 c HA 0.370 4.941 4.570 0.001 0.000 0.365 406 c C 0.598 174.830 174.090 0.236 0.000 1.233 406 c CA -0.767 55.681 56.329 0.198 0.000 2.230 406 c CB 0.589 43.204 42.510 0.175 0.000 2.443 406 c HN 0.519 nan 8.230 nan 0.000 0.556 407 L N 3.632 124.991 121.223 0.227 0.000 2.490 407 L HA 0.182 4.523 4.340 0.001 0.000 0.274 407 L C 0.258 177.329 176.870 0.336 0.000 1.201 407 L CA 1.044 55.980 54.840 0.159 0.000 0.869 407 L CB 0.125 42.082 42.059 -0.170 0.000 1.123 407 L HN 0.697 nan 8.230 nan 0.000 0.484 408 D N 2.794 123.366 120.400 0.286 0.000 2.964 408 D HA 0.353 4.994 4.640 0.001 0.000 0.234 408 D C -1.023 175.399 176.300 0.203 0.000 1.223 408 D CA -0.489 53.657 54.000 0.244 0.000 0.889 408 D CB 2.201 43.125 40.800 0.208 0.000 1.609 408 D HN 0.508 nan 8.370 nan 0.000 0.523 409 A N 3.630 126.534 122.820 0.140 0.000 2.350 409 A HA 0.392 4.713 4.320 0.001 0.000 0.293 409 A C 0.523 178.128 177.584 0.035 0.000 1.231 409 A CA -0.448 51.647 52.037 0.097 0.000 0.883 409 A CB 0.199 19.212 19.000 0.021 0.000 1.133 409 A HN 0.441 nan 8.150 nan 0.000 0.533 410 V N 3.037 122.984 119.914 0.055 0.000 2.678 410 V HA 0.152 4.273 4.120 0.001 0.000 0.304 410 V C 1.743 177.828 176.094 -0.015 0.000 1.086 410 V CA 1.877 64.193 62.300 0.027 0.000 1.246 410 V CB -0.428 31.427 31.823 0.054 0.000 0.861 410 V HN 1.905 nan 8.190 nan 0.000 0.491 411 G N 3.930 112.695 108.800 -0.059 0.000 2.187 411 G HA2 -0.062 3.899 3.960 0.001 0.000 0.261 411 G HA3 -0.062 3.899 3.960 0.001 0.000 0.261 411 G C 1.155 176.012 174.900 -0.072 0.000 1.000 411 G CA 0.694 45.752 45.100 -0.070 0.000 0.718 411 G HN 2.484 nan 8.290 nan 0.000 0.519 412 G N -1.586 107.166 108.800 -0.080 0.000 2.155 412 G HA2 0.158 4.118 3.960 0.001 0.000 0.257 412 G HA3 0.158 4.118 3.960 0.001 0.000 0.257 412 G C 1.389 176.250 174.900 -0.065 0.000 0.983 412 G CA 0.949 45.999 45.100 -0.083 0.000 0.676 412 G HN 2.147 nan 8.290 nan 0.000 0.528 413 G N -0.892 107.882 108.800 -0.043 0.000 2.559 413 G HA2 0.509 4.469 3.960 0.001 0.000 0.235 413 G HA3 0.509 4.469 3.960 0.001 0.000 0.235 413 G C 1.046 175.923 174.900 -0.038 0.000 1.266 413 G CA 1.116 46.198 45.100 -0.030 0.000 0.847 413 G HN 1.402 nan 8.290 nan 0.000 0.583 414 T N -2.268 112.263 114.554 -0.039 0.000 3.041 414 T HA 0.565 4.915 4.350 0.001 0.000 0.276 414 T C 0.947 175.622 174.700 -0.042 0.000 0.948 414 T CA 0.656 62.726 62.100 -0.049 0.000 0.885 414 T CB 0.202 69.031 68.868 -0.065 0.000 1.175 414 T HN 0.945 nan 8.240 nan 0.000 0.529 415 A N 2.115 124.915 122.820 -0.033 0.000 2.313 415 A HA 0.582 4.902 4.320 0.001 0.000 0.261 415 A C 0.278 177.841 177.584 -0.035 0.000 1.090 415 A CA -0.652 51.360 52.037 -0.042 0.000 0.807 415 A CB 0.028 19.011 19.000 -0.029 0.000 1.055 415 A HN 0.389 nan 8.150 nan 0.000 0.492 416 N N -0.067 118.578 118.700 -0.093 0.000 2.353 416 N HA 0.257 4.997 4.740 0.001 0.000 0.248 416 N C 1.195 176.760 175.510 0.091 0.000 1.240 416 N CA 1.787 54.780 53.050 -0.095 0.000 0.862 416 N CB 0.699 38.987 38.487 -0.331 0.000 1.086 416 N HN 1.313 nan 8.380 nan 0.000 0.453 417 G N 0.729 109.657 108.800 0.214 0.000 2.175 417 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 417 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 417 G C 0.154 175.126 174.900 0.120 0.000 0.982 417 G CA 0.361 45.567 45.100 0.176 0.000 0.641 417 G HN 0.619 nan 8.290 nan 0.000 0.527 418 T N 2.365 116.980 114.554 0.101 0.000 2.853 418 T HA 0.474 4.824 4.350 0.001 0.000 0.298 418 T C 1.035 175.796 174.700 0.102 0.000 0.978 418 T CA 0.119 62.267 62.100 0.080 0.000 1.152 418 T CB 0.851 69.754 68.868 0.059 0.000 0.914 418 T HN 0.366 nan 8.240 nan 0.000 0.539 419 L N 3.662 124.940 121.223 0.090 0.000 2.439 419 L HA 0.450 4.791 4.340 0.001 0.000 0.261 419 L C 0.262 177.192 176.870 0.101 0.000 1.153 419 L CA -1.016 53.881 54.840 0.096 0.000 0.808 419 L CB 0.403 42.513 42.059 0.086 0.000 1.126 419 L HN 0.377 nan 8.230 nan 0.000 0.460 420 I N 1.421 122.047 120.570 0.094 0.000 2.412 420 I HA 0.364 4.534 4.170 0.001 0.000 0.296 420 I C -0.019 176.154 176.117 0.094 0.000 0.987 420 I CA -0.268 61.088 61.300 0.093 0.000 1.180 420 I CB 1.440 39.453 38.000 0.021 0.000 1.340 420 I HN 0.749 nan 8.210 nan 0.000 0.455 421 Q N 5.571 125.446 119.800 0.127 0.000 2.857 421 Q HA 0.733 5.073 4.340 0.001 0.000 0.319 421 Q C -1.823 174.286 176.000 0.181 0.000 0.963 421 Q CA -0.989 54.904 55.803 0.150 0.000 0.770 421 Q CB 2.457 31.306 28.738 0.185 0.000 1.492 421 Q HN 0.460 nan 8.270 nan 0.000 0.493 422 L N 0.701 122.031 121.223 0.177 0.000 2.334 422 L HA 0.668 5.009 4.340 0.001 0.000 0.275 422 L C -1.316 175.665 176.870 0.185 0.000 1.036 422 L CA -0.866 54.078 54.840 0.173 0.000 0.807 422 L CB 1.219 43.344 42.059 0.110 0.000 1.231 422 L HN 0.662 nan 8.230 nan 0.000 0.438 423 Y N -0.441 119.907 120.300 0.080 0.000 2.573 423 Y HA 0.116 4.666 4.550 0.001 0.000 0.328 423 Y C -0.060 175.870 175.900 0.051 0.000 1.170 423 Y CA -0.763 57.371 58.100 0.056 0.000 1.078 423 Y CB 1.875 40.366 38.460 0.052 0.000 1.341 423 Y HN 0.510 nan 8.280 nan 0.000 0.459 424 S N 1.875 117.690 115.700 0.192 0.000 2.642 424 S HA -0.027 4.444 4.470 0.001 0.000 0.308 424 S C -0.258 174.441 174.600 0.164 0.000 1.255 424 S CA 0.005 58.292 58.200 0.144 0.000 1.057 424 S CB -0.383 62.897 63.200 0.134 0.000 0.785 424 S HN 0.586 nan 8.310 nan 0.000 0.500 425 c N 3.829 122.492 118.600 0.105 0.000 2.634 425 c HA 0.257 4.827 4.570 0.001 0.000 0.418 425 c C 1.851 175.980 174.090 0.065 0.000 1.373 425 c CA -0.072 56.310 56.329 0.088 0.000 1.756 425 c CB -0.524 42.026 42.510 0.067 0.000 2.589 425 c HN 1.036 nan 8.230 nan 0.000 0.602 426 S N 0.826 116.555 115.700 0.048 0.000 2.787 426 S HA 0.105 4.575 4.470 0.001 0.000 0.255 426 S C 0.530 175.130 174.600 0.000 0.000 1.051 426 S CA -0.005 58.209 58.200 0.023 0.000 1.124 426 S CB -0.151 63.057 63.200 0.013 0.000 1.104 426 S HN 0.835 nan 8.310 nan 0.000 0.623 427 N N 1.121 119.820 118.700 -0.002 0.000 2.878 427 N HA -0.107 4.634 4.740 0.001 0.000 0.247 427 N C 0.461 175.943 175.510 -0.046 0.000 1.021 427 N CA 0.913 53.951 53.050 -0.020 0.000 0.873 427 N CB -1.689 36.787 38.487 -0.017 0.000 1.128 427 N HN 0.720 nan 8.380 nan 0.000 0.571 428 G N 0.315 109.083 108.800 -0.053 0.000 2.594 428 G HA2 0.295 4.256 3.960 0.001 0.000 0.243 428 G HA3 0.295 4.256 3.960 0.001 0.000 0.243 428 G C 1.061 175.884 174.900 -0.128 0.000 1.229 428 G CA 0.424 45.475 45.100 -0.082 0.000 0.843 428 G HN 0.279 nan 8.290 nan 0.000 0.578 429 S N 0.268 115.882 115.700 -0.144 0.000 2.474 429 S HA -0.157 4.313 4.470 0.001 0.000 0.235 429 S C 1.665 176.086 174.600 -0.297 0.000 0.997 429 S CA 1.102 59.184 58.200 -0.197 0.000 0.949 429 S CB -0.219 62.885 63.200 -0.160 0.000 0.766 429 S HN 0.740 nan 8.310 nan 0.000 0.517 430 N N 0.922 119.470 118.700 -0.254 0.000 2.383 430 N HA 0.025 4.766 4.740 0.001 0.000 0.192 430 N C 0.777 176.092 175.510 -0.325 0.000 1.141 430 N CA 0.082 52.953 53.050 -0.298 0.000 0.851 430 N CB -0.207 38.177 38.487 -0.172 0.000 0.976 430 N HN 0.609 nan 8.380 nan 0.000 0.465 431 Q N -0.501 119.109 119.800 -0.317 0.000 2.103 431 Q HA 0.241 4.581 4.340 0.001 0.000 0.219 431 Q C -0.410 175.423 176.000 -0.278 0.000 0.784 431 Q CA -0.271 55.446 55.803 -0.145 0.000 1.014 431 Q CB 1.516 30.262 28.738 0.012 0.000 1.183 431 Q HN 0.204 nan 8.270 nan 0.000 0.469 432 R N 0.200 120.342 120.500 -0.597 0.000 2.460 432 R HA 0.443 4.784 4.340 0.001 0.000 0.303 432 R C -1.781 174.063 176.300 -0.760 0.000 0.968 432 R CA -0.252 55.583 56.100 -0.442 0.000 0.889 432 R CB 0.877 31.021 30.300 -0.260 0.000 1.123 432 R HN -0.085 nan 8.270 nan 0.000 0.455 433 W N 1.198 122.452 121.300 -0.077 0.000 3.033 433 W HA 0.368 5.028 4.660 0.001 0.000 0.336 433 W C -0.645 175.826 176.519 -0.079 0.000 1.173 433 W CA -0.686 56.606 57.345 -0.088 0.000 1.185 433 W CB 2.015 31.398 29.460 -0.129 0.000 1.425 433 W HN 0.491 nan 8.180 nan 0.000 0.536 434 T N -1.279 113.370 114.554 0.158 0.000 2.848 434 T HA 0.524 4.875 4.350 0.001 0.000 0.285 434 T C 0.035 174.778 174.700 0.071 0.000 0.995 434 T CA -1.074 61.071 62.100 0.075 0.000 0.970 434 T CB 1.788 70.676 68.868 0.034 0.000 0.976 434 T HN 0.575 nan 8.240 nan 0.000 0.441 435 R N 1.204 121.726 120.500 0.036 0.000 2.427 435 R HA 0.231 4.572 4.340 0.001 0.000 0.262 435 R C 0.618 176.933 176.300 0.026 0.000 0.943 435 R CA -0.121 55.994 56.100 0.026 0.000 1.081 435 R CB 0.325 30.623 30.300 -0.003 0.000 1.166 435 R HN 0.896 nan 8.270 nan 0.000 0.534 436 T N 0.000 114.569 114.554 0.025 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.112 62.100 0.020 0.000 1.349 436 T CB 0.000 68.875 68.868 0.012 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658