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 3n2c_1_F DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.691 174.700 -0.015 0.000 1.109 2 T CA 0.000 62.092 62.100 -0.014 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 3 I N 2.563 123.122 120.570 -0.017 0.000 2.436 3 I HA 0.688 4.858 4.170 -0.000 0.000 0.289 3 I C -1.578 174.526 176.117 -0.023 0.000 1.010 3 I CA -0.190 61.098 61.300 -0.019 0.000 1.098 3 I CB 2.008 39.997 38.000 -0.019 0.000 1.266 3 I HN 0.216 nan 8.210 nan 0.000 0.434 4 T N 6.244 120.783 114.554 -0.025 0.000 2.848 4 T HA 0.515 4.865 4.350 -0.000 0.000 0.285 4 T C -0.875 173.808 174.700 -0.028 0.000 0.995 4 T CA -0.505 61.577 62.100 -0.031 0.000 0.970 4 T CB 1.864 70.710 68.868 -0.036 0.000 0.976 4 T HN 0.232 nan 8.240 nan 0.000 0.441 5 V N 4.316 124.212 119.914 -0.029 0.000 2.409 5 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 5 V C -0.270 175.816 176.094 -0.014 0.000 1.020 5 V CA -0.852 61.439 62.300 -0.014 0.000 0.848 5 V CB 1.420 33.233 31.823 -0.016 0.000 0.990 5 V HN 0.757 nan 8.190 nan 0.000 0.430 6 L N 6.478 127.699 121.223 -0.005 0.000 2.283 6 L HA 0.453 4.793 4.340 -0.000 0.000 0.287 6 L C 0.345 177.243 176.870 0.047 0.000 1.073 6 L CA -0.147 54.681 54.840 -0.019 0.000 0.822 6 L CB 0.681 42.716 42.059 -0.040 0.000 1.186 6 L HN 0.746 nan 8.230 nan 0.000 0.436 7 Q N 2.115 121.952 119.800 0.061 0.000 2.316 7 Q HA 0.608 4.948 4.340 -0.000 0.000 0.264 7 Q C 0.607 176.619 176.000 0.020 0.000 0.987 7 Q CA -0.268 55.645 55.803 0.183 0.000 0.852 7 Q CB 2.117 31.013 28.738 0.262 0.000 1.287 7 Q HN 0.752 nan 8.270 nan 0.000 0.448 8 G N 2.013 110.711 108.800 -0.170 0.000 2.199 8 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 8 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 8 G C 0.429 175.230 174.900 -0.166 0.000 0.982 8 G CA -0.325 44.697 45.100 -0.129 0.000 0.632 8 G HN 1.034 nan 8.290 nan 0.000 0.529 9 G N -0.295 108.418 108.800 -0.144 0.000 2.667 9 G HA2 0.450 4.409 3.960 -0.000 0.000 0.250 9 G HA3 0.450 4.409 3.960 -0.000 0.000 0.250 9 G C -0.102 174.700 174.900 -0.162 0.000 1.212 9 G CA -0.014 45.005 45.100 -0.135 0.000 0.874 9 G HN 0.574 nan 8.290 nan 0.000 0.561 10 N N -0.481 118.129 118.700 -0.150 0.000 2.501 10 N HA 0.366 5.106 4.740 -0.000 0.000 0.245 10 N C -0.600 174.846 175.510 -0.106 0.000 0.974 10 N CA -0.642 52.325 53.050 -0.140 0.000 0.941 10 N CB 2.338 40.736 38.487 -0.148 0.000 1.122 10 N HN 0.205 nan 8.380 nan 0.000 0.507 11 V N 2.949 122.795 119.914 -0.114 0.000 2.530 11 V HA 0.087 4.207 4.120 -0.000 0.000 0.282 11 V C 0.451 176.479 176.094 -0.111 0.000 1.048 11 V CA -0.501 61.738 62.300 -0.103 0.000 0.997 11 V CB 1.068 32.833 31.823 -0.097 0.000 0.987 11 V HN 0.615 nan 8.190 nan 0.000 0.477 12 L N 4.783 125.960 121.223 -0.076 0.000 2.312 12 L HA 0.317 4.656 4.340 -0.000 0.000 0.287 12 L C 0.314 177.154 176.870 -0.051 0.000 1.091 12 L CA -0.173 54.631 54.840 -0.060 0.000 0.846 12 L CB 0.475 42.511 42.059 -0.038 0.000 1.219 12 L HN 0.665 nan 8.230 nan 0.000 0.439 13 D N 4.365 124.729 120.400 -0.060 0.000 2.325 13 D HA 0.060 4.699 4.640 -0.000 0.000 0.251 13 D C 0.686 176.974 176.300 -0.019 0.000 1.196 13 D CA 0.067 54.041 54.000 -0.042 0.000 0.866 13 D CB 1.506 42.274 40.800 -0.054 0.000 1.101 13 D HN 0.504 nan 8.370 nan 0.000 0.476 14 L N 3.653 124.874 121.223 -0.004 0.000 2.416 14 L HA -0.032 4.308 4.340 -0.000 0.000 0.216 14 L C 2.357 179.237 176.870 0.018 0.000 1.098 14 L CA 0.258 55.106 54.840 0.012 0.000 0.840 14 L CB 0.152 42.226 42.059 0.025 0.000 0.981 14 L HN 0.437 nan 8.230 nan 0.000 0.462 15 E N 0.219 120.427 120.200 0.013 0.000 2.051 15 E HA -0.162 4.188 4.350 -0.000 0.000 0.189 15 E C 2.041 178.649 176.600 0.013 0.000 0.979 15 E CA 0.791 57.201 56.400 0.017 0.000 0.803 15 E CB -0.310 29.400 29.700 0.016 0.000 0.761 15 E HN 0.429 nan 8.360 nan 0.000 0.451 16 R N 0.353 120.856 120.500 0.005 0.000 2.092 16 R HA 0.012 4.351 4.340 -0.000 0.000 0.231 16 R C 1.275 177.577 176.300 0.003 0.000 1.119 16 R CA 1.078 57.179 56.100 0.003 0.000 0.970 16 R CB -0.107 30.189 30.300 -0.005 0.000 0.864 16 R HN 0.464 nan 8.270 nan 0.000 0.440 17 G N 0.201 109.001 108.800 0.000 0.000 2.138 17 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.193 17 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.193 17 G C -0.081 174.816 174.900 -0.005 0.000 0.998 17 G CA -0.042 45.060 45.100 0.003 0.000 0.668 17 G HN 0.258 nan 8.290 nan 0.000 0.516 18 V N -2.361 117.542 119.914 -0.018 0.000 3.130 18 V HA 0.833 4.953 4.120 -0.000 0.000 0.310 18 V C 0.590 176.653 176.094 -0.052 0.000 1.158 18 V CA -1.657 60.626 62.300 -0.028 0.000 1.029 18 V CB 2.100 33.907 31.823 -0.026 0.000 1.057 18 V HN 0.250 nan 8.190 nan 0.000 0.436 19 L N 1.976 123.166 121.223 -0.056 0.000 2.349 19 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 19 L C -0.605 176.191 176.870 -0.124 0.000 1.115 19 L CA -0.426 54.364 54.840 -0.085 0.000 0.820 19 L CB 1.198 43.216 42.059 -0.069 0.000 1.135 19 L HN 0.542 nan 8.230 nan 0.000 0.445 20 L N 4.367 125.458 121.223 -0.219 0.000 2.321 20 L HA 0.272 4.611 4.340 -0.000 0.000 0.272 20 L C 0.250 176.961 176.870 -0.264 0.000 1.050 20 L CA -0.690 53.897 54.840 -0.422 0.000 0.893 20 L CB 0.483 42.008 42.059 -0.889 0.000 1.272 20 L HN 0.585 nan 8.230 nan 0.000 0.435 21 E N 3.274 123.460 120.200 -0.025 0.000 2.373 21 E HA 0.031 4.381 4.350 -0.000 0.000 0.267 21 E C 0.007 176.732 176.600 0.208 0.000 1.032 21 E CA -0.477 55.932 56.400 0.015 0.000 0.889 21 E CB 0.418 30.129 29.700 0.019 0.000 0.984 21 E HN 0.566 nan 8.360 nan 0.000 0.425 22 H N 0.622 119.720 119.070 0.047 0.000 2.741 22 H HA -0.162 4.394 4.556 -0.000 0.000 0.305 22 H C -0.788 174.458 175.328 -0.137 0.000 1.169 22 H CA 1.007 57.013 56.048 -0.071 0.000 1.144 22 H CB -2.080 27.636 29.762 -0.076 0.000 1.397 22 H HN 0.536 nan 8.280 nan 0.000 0.409 23 H N 0.883 119.869 119.070 -0.140 0.000 2.594 23 H HA 0.229 4.785 4.556 -0.000 0.000 0.304 23 H C 0.825 176.060 175.328 -0.154 0.000 1.068 23 H CA -0.300 55.685 56.048 -0.105 0.000 1.308 23 H CB 0.538 30.279 29.762 -0.036 0.000 1.409 23 H HN 0.291 nan 8.280 nan 0.000 0.460 24 H N 1.977 121.082 119.070 0.059 0.000 2.690 24 H HA 0.214 4.770 4.556 -0.000 0.000 0.365 24 H C -0.169 175.177 175.328 0.031 0.000 1.142 24 H CA -0.231 55.834 56.048 0.028 0.000 1.417 24 H CB 1.135 30.897 29.762 -0.000 0.000 1.446 24 H HN 0.259 nan 8.280 nan 0.000 0.599 25 V N 3.235 123.224 119.914 0.125 0.000 2.448 25 V HA 0.149 4.269 4.120 -0.000 0.000 0.295 25 V C 0.145 176.265 176.094 0.044 0.000 1.025 25 V CA -0.815 61.525 62.300 0.066 0.000 0.859 25 V CB 1.752 33.591 31.823 0.026 0.000 0.988 25 V HN 0.419 nan 8.190 nan 0.000 0.431 26 V N 5.997 125.929 119.914 0.031 0.000 2.370 26 V HA 0.489 4.609 4.120 -0.000 0.000 0.279 26 V C -0.244 175.850 176.094 0.001 0.000 1.029 26 V CA -0.408 61.897 62.300 0.009 0.000 0.870 26 V CB 1.523 33.348 31.823 0.003 0.000 0.984 26 V HN 0.599 nan 8.190 nan 0.000 0.451 27 I N 3.731 124.296 120.570 -0.008 0.000 2.406 27 I HA 0.467 4.636 4.170 -0.000 0.000 0.290 27 I C -0.540 175.569 176.117 -0.013 0.000 0.999 27 I CA -0.538 60.755 61.300 -0.011 0.000 1.124 27 I CB 1.630 39.619 38.000 -0.018 0.000 1.289 27 I HN 0.542 nan 8.210 nan 0.000 0.441 28 D N 4.441 124.834 120.400 -0.010 0.000 2.461 28 D HA 0.552 5.191 4.640 -0.000 0.000 0.240 28 D C 0.823 177.118 176.300 -0.010 0.000 1.094 28 D CA 0.703 54.697 54.000 -0.010 0.000 0.868 28 D CB 1.257 42.052 40.800 -0.008 0.000 1.062 28 D HN 0.865 nan 8.370 nan 0.000 0.530 29 G N 4.362 113.155 108.800 -0.012 0.000 4.886 29 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.305 29 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.305 29 G C 0.793 175.685 174.900 -0.013 0.000 1.483 29 G CA 0.412 45.505 45.100 -0.012 0.000 1.029 29 G HN 0.514 nan 8.290 nan 0.000 0.746 30 E N 0.466 120.659 120.200 -0.010 0.000 2.641 30 E HA 0.268 4.618 4.350 -0.000 0.000 0.224 30 E C 0.885 177.481 176.600 -0.007 0.000 0.951 30 E CA -0.193 56.201 56.400 -0.010 0.000 1.102 30 E CB 1.074 30.768 29.700 -0.009 0.000 1.091 30 E HN 0.401 nan 8.360 nan 0.000 0.507 31 R N 0.660 121.157 120.500 -0.006 0.000 2.807 31 R HA 0.499 4.838 4.340 -0.000 0.000 0.276 31 R C -0.635 175.664 176.300 -0.002 0.000 0.979 31 R CA -0.834 55.265 56.100 -0.002 0.000 0.928 31 R CB 2.061 32.363 30.300 0.002 0.000 1.191 31 R HN -0.068 nan 8.270 nan 0.000 0.471 32 I N 2.570 123.140 120.570 -0.000 0.000 2.452 32 I HA -0.002 4.167 4.170 -0.000 0.000 0.287 32 I C 1.200 177.320 176.117 0.006 0.000 1.079 32 I CA -0.085 61.217 61.300 0.002 0.000 1.387 32 I CB 1.135 39.137 38.000 0.004 0.000 1.404 32 I HN 0.454 nan 8.210 nan 0.000 0.522 33 V N 3.487 123.405 119.914 0.006 0.000 2.795 33 V HA 0.156 4.276 4.120 -0.000 0.000 0.243 33 V C 0.621 176.722 176.094 0.012 0.000 1.069 33 V CA 0.541 62.845 62.300 0.006 0.000 1.089 33 V CB -0.372 31.452 31.823 0.001 0.000 0.756 33 V HN 0.747 nan 8.190 nan 0.000 0.471 34 E N -0.064 120.146 120.200 0.017 0.000 2.278 34 E HA 0.532 4.881 4.350 -0.000 0.000 0.272 34 E C -1.761 174.867 176.600 0.047 0.000 0.890 34 E CA -0.336 56.081 56.400 0.027 0.000 0.770 34 E CB 2.734 32.445 29.700 0.018 0.000 1.212 34 E HN 0.055 nan 8.360 nan 0.000 0.415 35 V N 3.470 123.421 119.914 0.062 0.000 2.250 35 V HA 0.437 4.557 4.120 -0.000 0.000 0.268 35 V C -0.150 176.031 176.094 0.146 0.000 1.043 35 V CA -0.398 61.962 62.300 0.098 0.000 0.814 35 V CB 0.919 32.791 31.823 0.081 0.000 1.072 35 V HN 0.636 nan 8.190 nan 0.000 0.451 36 T N 1.507 116.138 114.554 0.128 0.000 2.843 36 T HA 0.417 4.767 4.350 -0.000 0.000 0.302 36 T C -0.502 174.172 174.700 -0.044 0.000 1.232 36 T CA -0.339 61.787 62.100 0.043 0.000 1.009 36 T CB 2.010 70.894 68.868 0.026 0.000 1.254 36 T HN 0.703 nan 8.240 nan 0.000 0.504 37 D N 0.935 121.190 120.400 -0.242 0.000 2.424 37 D HA 0.161 4.801 4.640 -0.000 0.000 0.220 37 D C 0.422 176.721 176.300 -0.002 0.000 1.150 37 D CA -0.452 53.441 54.000 -0.179 0.000 0.831 37 D CB 0.139 40.657 40.800 -0.469 0.000 0.981 37 D HN 0.108 nan 8.370 nan 0.000 0.500 38 R N 1.856 122.358 120.500 0.003 0.000 2.643 38 R HA 0.215 4.554 4.340 -0.000 0.000 0.270 38 R C -2.151 174.117 176.300 -0.053 0.000 1.061 38 R CA -1.778 54.309 56.100 -0.022 0.000 1.107 38 R CB -0.848 29.429 30.300 -0.039 0.000 0.999 38 R HN 0.133 nan 8.270 nan 0.000 0.460 39 P HA -0.052 nan 4.420 nan 0.000 0.264 39 P C 0.163 177.342 177.300 -0.201 0.000 1.236 39 P CA 0.012 63.041 63.100 -0.117 0.000 0.811 39 P CB 0.310 31.973 31.700 -0.062 0.000 0.840 40 V N 3.927 123.596 119.914 -0.407 0.000 2.434 40 V HA -0.071 4.049 4.120 -0.000 0.000 0.281 40 V C 0.587 176.568 176.094 -0.189 0.000 1.005 40 V CA 0.277 62.375 62.300 -0.336 0.000 1.089 40 V CB -0.603 30.934 31.823 -0.477 0.000 0.978 40 V HN 0.350 nan 8.190 nan 0.000 0.474 41 D N 5.874 126.201 120.400 -0.123 0.000 2.671 41 D HA 0.136 4.775 4.640 -0.000 0.000 0.228 41 D C 0.385 176.643 176.300 -0.070 0.000 1.102 41 D CA -0.166 53.785 54.000 -0.082 0.000 1.044 41 D CB -0.369 40.395 40.800 -0.061 0.000 1.113 41 D HN 0.687 nan 8.370 nan 0.000 0.480 42 L N 0.453 121.630 121.223 -0.076 0.000 2.433 42 L HA 0.442 4.782 4.340 -0.000 0.000 0.275 42 L C -1.767 175.078 176.870 -0.042 0.000 1.128 42 L CA -0.900 53.905 54.840 -0.059 0.000 0.875 42 L CB 0.431 42.455 42.059 -0.059 0.000 1.171 42 L HN -0.001 nan 8.230 nan 0.000 0.463 43 P HA 0.098 nan 4.420 nan 0.000 0.193 43 P C 0.656 177.942 177.300 -0.024 0.000 1.120 43 P CA 0.241 63.325 63.100 -0.028 0.000 0.880 43 P CB 0.282 31.967 31.700 -0.025 0.000 0.728 44 N N -0.486 118.201 118.700 -0.022 0.000 2.446 44 N HA 0.093 4.833 4.740 -0.000 0.000 0.179 44 N C 0.366 175.863 175.510 -0.021 0.000 1.054 44 N CA -0.146 52.893 53.050 -0.019 0.000 0.905 44 N CB 0.027 38.503 38.487 -0.017 0.000 0.973 44 N HN 0.112 nan 8.380 nan 0.000 0.448 45 A N 1.207 124.013 122.820 -0.024 0.000 2.531 45 A HA -0.033 4.287 4.320 -0.000 0.000 0.236 45 A C 0.210 177.778 177.584 -0.027 0.000 1.062 45 A CA 0.149 52.170 52.037 -0.026 0.000 0.760 45 A CB 0.287 19.269 19.000 -0.030 0.000 0.995 45 A HN 0.435 nan 8.150 nan 0.000 0.501 46 Q N 0.648 120.431 119.800 -0.028 0.000 2.288 46 Q HA 0.495 4.835 4.340 -0.000 0.000 0.258 46 Q C -0.194 175.782 176.000 -0.039 0.000 0.957 46 Q CA -0.231 55.554 55.803 -0.031 0.000 0.919 46 Q CB 0.881 29.600 28.738 -0.032 0.000 1.185 46 Q HN 0.873 nan 8.270 nan 0.000 0.408 47 A N 4.885 127.682 122.820 -0.039 0.000 2.312 47 A HA 0.672 4.992 4.320 -0.000 0.000 0.326 47 A C -0.806 176.736 177.584 -0.070 0.000 1.172 47 A CA -0.624 51.387 52.037 -0.043 0.000 0.821 47 A CB 0.742 19.726 19.000 -0.027 0.000 1.166 47 A HN 0.811 nan 8.150 nan 0.000 0.493 48 I N 1.535 122.048 120.570 -0.095 0.000 2.447 48 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 48 I C -1.005 175.038 176.117 -0.122 0.000 1.023 48 I CA -0.574 60.627 61.300 -0.166 0.000 1.083 48 I CB 2.061 39.879 38.000 -0.305 0.000 1.245 48 I HN 0.563 nan 8.210 nan 0.000 0.434 49 D N 5.845 126.190 120.400 -0.092 0.000 2.336 49 D HA 0.208 4.848 4.640 -0.000 0.000 0.249 49 D C 0.379 176.652 176.300 -0.045 0.000 1.213 49 D CA 0.155 54.132 54.000 -0.038 0.000 0.870 49 D CB 1.407 42.205 40.800 -0.004 0.000 1.076 49 D HN 0.217 nan 8.370 nan 0.000 0.483 50 V N 4.581 124.471 119.914 -0.039 0.000 3.319 50 V HA 0.066 4.186 4.120 -0.000 0.000 0.317 50 V C 0.959 177.036 176.094 -0.030 0.000 1.411 50 V CA -0.564 61.716 62.300 -0.033 0.000 1.112 50 V CB -0.671 31.117 31.823 -0.058 0.000 1.031 50 V HN 0.495 nan 8.190 nan 0.000 0.448 51 R N 2.066 122.557 120.500 -0.016 0.000 2.502 51 R HA 0.223 4.562 4.340 -0.000 0.000 0.292 51 R C 0.942 177.224 176.300 -0.030 0.000 0.998 51 R CA 1.275 57.362 56.100 -0.022 0.000 1.056 51 R CB -0.413 29.916 30.300 0.049 0.000 0.939 51 R HN 0.634 nan 8.270 nan 0.000 0.411 52 G N 2.446 111.189 108.800 -0.095 0.000 2.199 52 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.254 52 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.254 52 G C -0.290 174.573 174.900 -0.061 0.000 0.982 52 G CA 0.582 45.640 45.100 -0.071 0.000 0.632 52 G HN 0.623 nan 8.290 nan 0.000 0.529 53 K N 0.925 121.291 120.400 -0.057 0.000 2.164 53 K HA 0.574 4.893 4.320 -0.000 0.000 0.258 53 K C -0.105 176.462 176.600 -0.054 0.000 0.951 53 K CA -0.413 55.853 56.287 -0.035 0.000 0.844 53 K CB 1.410 33.914 32.500 0.007 0.000 1.099 53 K HN 0.053 nan 8.250 nan 0.000 0.435 54 T N 1.989 116.515 114.554 -0.047 0.000 2.834 54 T HA 0.130 4.479 4.350 -0.000 0.000 0.298 54 T C -0.163 174.506 174.700 -0.051 0.000 0.966 54 T CA -0.453 61.614 62.100 -0.056 0.000 1.141 54 T CB 0.313 69.152 68.868 -0.048 0.000 0.905 54 T HN 0.140 nan 8.240 nan 0.000 0.535 55 V N 6.458 126.336 119.914 -0.061 0.000 2.394 55 V HA 0.625 4.745 4.120 -0.000 0.000 0.282 55 V C 0.181 176.235 176.094 -0.066 0.000 1.031 55 V CA -0.667 61.597 62.300 -0.061 0.000 0.881 55 V CB 0.694 32.484 31.823 -0.054 0.000 0.982 55 V HN 0.948 nan 8.190 nan 0.000 0.451 56 M N 4.709 124.260 119.600 -0.082 0.000 2.664 56 M HA 0.779 5.259 4.480 -0.000 0.000 0.279 56 M C -3.145 173.085 176.300 -0.117 0.000 1.275 56 M CA -2.218 53.035 55.300 -0.078 0.000 0.829 56 M CB 2.467 35.037 32.600 -0.049 0.000 1.727 56 M HN 0.192 nan 8.290 nan 0.000 0.459 57 P HA 0.196 nan 4.420 nan 0.000 0.269 57 P C -0.014 177.147 177.300 -0.233 0.000 1.209 57 P CA 0.209 63.244 63.100 -0.110 0.000 0.776 57 P CB 0.340 32.014 31.700 -0.043 0.000 0.876 58 G N 2.239 110.876 108.800 -0.272 0.000 2.491 58 G HA2 0.211 4.171 3.960 -0.000 0.000 0.238 58 G HA3 0.211 4.171 3.960 -0.000 0.000 0.238 58 G C -0.560 174.141 174.900 -0.332 0.000 1.277 58 G CA -0.304 44.525 45.100 -0.451 0.000 0.851 58 G HN 0.231 nan 8.290 nan 0.000 0.573 59 F N 0.053 119.860 119.950 -0.238 0.000 2.459 59 F HA 0.411 4.938 4.527 -0.000 0.000 0.346 59 F C 0.856 176.617 175.800 -0.066 0.000 1.128 59 F CA -0.853 56.955 58.000 -0.321 0.000 1.268 59 F CB 0.747 39.207 39.000 -0.900 0.000 1.161 59 F HN 0.142 nan 8.300 nan 0.000 0.583 60 I N 2.338 123.046 120.570 0.229 0.000 2.420 60 I HA 0.153 4.323 4.170 -0.000 0.000 0.282 60 I C -0.513 175.816 176.117 0.353 0.000 1.019 60 I CA -0.625 60.845 61.300 0.284 0.000 1.130 60 I CB 1.080 39.177 38.000 0.163 0.000 1.262 60 I HN 0.461 nan 8.210 nan 0.000 0.454 61 D N 5.082 125.777 120.400 0.492 0.000 2.312 61 D HA 0.136 4.775 4.640 -0.000 0.000 0.252 61 D C 0.406 176.857 176.300 0.250 0.000 1.150 61 D CA -0.164 54.096 54.000 0.433 0.000 0.870 61 D CB 1.644 42.548 40.800 0.174 0.000 1.153 61 D HN 0.580 nan 8.370 nan 0.000 0.457 62 C N 2.668 122.102 119.300 0.223 0.000 2.697 62 C HA 0.123 4.582 4.460 -0.000 0.000 0.267 62 C C 0.795 175.852 174.990 0.112 0.000 1.278 62 C CA -0.198 58.892 59.018 0.120 0.000 1.708 62 C CB -1.505 26.275 27.740 0.066 0.000 1.860 62 C HN 0.599 nan 8.230 nan 0.000 0.589 63 H N 0.166 119.226 119.070 -0.017 0.000 2.750 63 H HA 0.460 5.016 4.556 -0.000 0.000 0.261 63 H C -0.696 174.560 175.328 -0.119 0.000 1.387 63 H CA -0.127 55.865 56.048 -0.094 0.000 1.557 63 H CB 0.355 30.039 29.762 -0.131 0.000 1.756 63 H HN 0.110 nan 8.280 nan 0.000 0.580 64 V N 0.259 120.050 119.914 -0.206 0.000 3.019 64 V HA 0.565 4.684 4.120 -0.000 0.000 0.317 64 V C -0.359 175.518 176.094 -0.363 0.000 1.094 64 V CA -0.827 61.384 62.300 -0.149 0.000 1.000 64 V CB 2.355 34.150 31.823 -0.048 0.000 1.060 64 V HN 0.638 nan 8.190 nan 0.000 0.443 65 H N 1.708 120.835 119.070 0.096 0.000 2.736 65 H HA 0.428 4.983 4.556 -0.000 0.000 0.271 65 H C 0.689 176.074 175.328 0.095 0.000 1.184 65 H CA -0.278 55.818 56.048 0.080 0.000 1.378 65 H CB 1.787 31.606 29.762 0.094 0.000 1.428 65 H HN 0.542 nan 8.280 nan 0.000 0.500 66 V N 2.864 122.825 119.914 0.080 0.000 2.343 66 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 66 V C 2.375 178.463 176.094 -0.009 0.000 1.051 66 V CA 1.562 63.843 62.300 -0.031 0.000 1.036 66 V CB -0.215 31.582 31.823 -0.043 0.000 0.654 66 V HN 0.567 nan 8.190 nan 0.000 0.451 67 L N 0.006 121.260 121.223 0.052 0.000 2.395 67 L HA 0.168 4.508 4.340 -0.000 0.000 0.218 67 L C 1.501 178.402 176.870 0.051 0.000 1.130 67 L CA 0.308 55.171 54.840 0.039 0.000 0.826 67 L CB -0.326 41.760 42.059 0.044 0.000 0.941 67 L HN 0.287 nan 8.230 nan 0.000 0.451 68 A N -0.137 122.747 122.820 0.107 0.000 2.541 68 A HA 0.179 4.499 4.320 -0.000 0.000 0.293 68 A C 1.266 178.929 177.584 0.131 0.000 1.307 68 A CA 0.433 52.525 52.037 0.091 0.000 0.978 68 A CB -0.118 18.941 19.000 0.098 0.000 1.111 68 A HN 0.388 nan 8.150 nan 0.000 0.535 69 S N 1.397 117.126 115.700 0.048 0.000 2.524 69 S HA 0.109 4.579 4.470 -0.000 0.000 0.215 69 S C 0.328 174.928 174.600 0.000 0.000 0.986 69 S CA 0.098 58.318 58.200 0.034 0.000 0.911 69 S CB -0.461 62.738 63.200 -0.002 0.000 0.805 69 S HN 0.965 nan 8.310 nan 0.000 0.501 70 N N -0.978 117.711 118.700 -0.018 0.000 2.329 70 N HA 0.671 5.410 4.740 -0.000 0.000 0.282 70 N C 0.491 175.973 175.510 -0.047 0.000 1.198 70 N CA -0.381 52.646 53.050 -0.038 0.000 0.790 70 N CB 1.136 39.602 38.487 -0.035 0.000 1.579 70 N HN -0.073 nan 8.380 nan 0.000 0.475 71 A N 1.148 123.952 122.820 -0.027 0.000 1.972 71 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 71 A C 0.981 178.524 177.584 -0.068 0.000 1.169 71 A CA 1.146 53.169 52.037 -0.023 0.000 0.635 71 A CB -0.864 18.168 19.000 0.055 0.000 0.810 71 A HN 0.774 nan 8.150 nan 0.000 0.446 72 N N 0.811 119.467 118.700 -0.073 0.000 2.406 72 N HA 0.208 4.947 4.740 -0.000 0.000 0.265 72 N C 0.506 175.882 175.510 -0.224 0.000 1.203 72 N CA 0.053 53.024 53.050 -0.132 0.000 0.945 72 N CB 0.224 38.659 38.487 -0.088 0.000 1.165 72 N HN 0.333 nan 8.380 nan 0.000 0.485 73 L N 2.360 123.353 121.223 -0.384 0.000 2.395 73 L HA 0.077 4.416 4.340 -0.000 0.000 0.218 73 L C 2.127 178.570 176.870 -0.712 0.000 1.130 73 L CA 0.667 55.153 54.840 -0.590 0.000 0.826 73 L CB -0.274 41.263 42.059 -0.871 0.000 0.941 73 L HN 0.612 nan 8.230 nan 0.000 0.451 74 G N -0.365 108.076 108.800 -0.597 0.000 2.414 74 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 74 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 74 G C 1.552 176.355 174.900 -0.161 0.000 1.188 74 G CA 0.789 45.689 45.100 -0.333 0.000 0.783 74 G HN 0.168 nan 8.290 nan 0.000 0.537 75 V N 0.882 120.716 119.914 -0.134 0.000 2.970 75 V HA -0.054 4.066 4.120 -0.000 0.000 0.260 75 V C 2.352 178.403 176.094 -0.073 0.000 1.100 75 V CA 2.007 64.262 62.300 -0.075 0.000 1.122 75 V CB -0.387 31.404 31.823 -0.053 0.000 0.721 75 V HN 0.458 nan 8.190 nan 0.000 0.483 76 N N 0.016 118.648 118.700 -0.113 0.000 2.270 76 N HA -0.047 4.693 4.740 -0.000 0.000 0.181 76 N C 1.752 177.229 175.510 -0.056 0.000 1.016 76 N CA 1.339 54.337 53.050 -0.088 0.000 0.870 76 N CB -0.204 38.211 38.487 -0.119 0.000 0.979 76 N HN 0.494 nan 8.380 nan 0.000 0.431 77 A N -0.664 122.119 122.820 -0.060 0.000 1.930 77 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 77 A C 2.073 179.667 177.584 0.017 0.000 1.176 77 A CA 1.707 53.747 52.037 0.005 0.000 0.632 77 A CB -0.919 18.117 19.000 0.059 0.000 0.819 77 A HN 0.490 nan 8.150 nan 0.000 0.445 78 T N -0.924 113.632 114.554 0.002 0.000 3.129 78 T HA 0.134 4.484 4.350 -0.000 0.000 0.251 78 T C 0.784 175.489 174.700 0.009 0.000 1.117 78 T CA 0.233 62.341 62.100 0.013 0.000 1.034 78 T CB -0.556 68.318 68.868 0.010 0.000 0.968 78 T HN 0.699 nan 8.240 nan 0.000 0.526 79 Q N 1.371 121.172 119.800 0.001 0.000 2.394 79 Q HA 0.397 4.737 4.340 -0.000 0.000 0.248 79 Q C -2.749 173.257 176.000 0.011 0.000 0.992 79 Q CA -2.053 53.751 55.803 0.002 0.000 0.888 79 Q CB -0.063 28.671 28.738 -0.007 0.000 1.257 79 Q HN 0.079 nan 8.270 nan 0.000 0.462 80 P HA -0.017 nan 4.420 nan 0.000 0.266 80 P C -0.236 177.073 177.300 0.015 0.000 1.195 80 P CA -0.108 63.000 63.100 0.013 0.000 0.768 80 P CB 0.558 32.263 31.700 0.008 0.000 0.838 81 N N 1.747 120.460 118.700 0.021 0.000 2.043 81 N HA -0.145 4.594 4.740 -0.000 0.000 0.193 81 N C 1.654 177.173 175.510 0.016 0.000 1.037 81 N CA 1.391 54.456 53.050 0.025 0.000 0.851 81 N CB -0.657 37.849 38.487 0.031 0.000 1.027 81 N HN 0.420 nan 8.380 nan 0.000 0.422 82 I N 0.566 121.142 120.570 0.010 0.000 2.163 82 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 82 I C 2.089 178.206 176.117 0.001 0.000 1.085 82 I CA 0.838 62.140 61.300 0.004 0.000 1.347 82 I CB -0.180 37.822 38.000 0.002 0.000 1.044 82 I HN 0.108 nan 8.210 nan 0.000 0.408 83 L N 0.248 121.472 121.223 0.001 0.000 2.093 83 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 83 L C 2.797 179.664 176.870 -0.004 0.000 1.085 83 L CA 1.179 56.017 54.840 -0.003 0.000 0.755 83 L CB -0.532 41.526 42.059 -0.003 0.000 0.904 83 L HN 0.246 nan 8.230 nan 0.000 0.435 84 A N -0.088 122.732 122.820 0.001 0.000 1.908 84 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 84 A C 2.495 180.077 177.584 -0.002 0.000 1.181 84 A CA 1.884 53.922 52.037 0.001 0.000 0.627 84 A CB -0.741 18.266 19.000 0.010 0.000 0.818 84 A HN 0.430 nan 8.150 nan 0.000 0.445 85 A N -0.143 122.677 122.820 -0.001 0.000 1.877 85 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 85 A C 1.986 179.561 177.584 -0.016 0.000 1.186 85 A CA 1.635 53.668 52.037 -0.007 0.000 0.620 85 A CB -0.507 18.491 19.000 -0.003 0.000 0.822 85 A HN 0.389 nan 8.150 nan 0.000 0.443 86 I N -0.044 120.517 120.570 -0.015 0.000 2.208 86 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 86 I C 2.470 178.573 176.117 -0.025 0.000 1.097 86 I CA 1.443 62.731 61.300 -0.019 0.000 1.363 86 I CB -1.285 36.706 38.000 -0.015 0.000 1.051 86 I HN 0.342 nan 8.210 nan 0.000 0.413 87 R N 0.481 120.967 120.500 -0.023 0.000 2.189 87 R HA -0.080 4.259 4.340 -0.000 0.000 0.218 87 R C 2.317 178.594 176.300 -0.040 0.000 1.074 87 R CA 1.376 57.459 56.100 -0.029 0.000 0.991 87 R CB -0.184 30.102 30.300 -0.023 0.000 0.883 87 R HN 0.486 nan 8.270 nan 0.000 0.457 88 S N 0.259 115.936 115.700 -0.040 0.000 2.496 88 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 88 S C 1.935 176.493 174.600 -0.068 0.000 0.996 88 S CA 0.279 58.444 58.200 -0.058 0.000 0.927 88 S CB -0.109 63.065 63.200 -0.043 0.000 0.774 88 S HN 0.197 nan 8.310 nan 0.000 0.524 89 L N 1.098 122.289 121.223 -0.054 0.000 2.093 89 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 89 L C -0.708 176.129 176.870 -0.056 0.000 1.085 89 L CA 1.090 55.898 54.840 -0.052 0.000 0.755 89 L CB -1.825 40.209 42.059 -0.041 0.000 0.904 89 L HN 0.298 nan 8.230 nan 0.000 0.435 90 P HA -0.042 nan 4.420 nan 0.000 0.225 90 P C 1.807 179.060 177.300 -0.078 0.000 1.156 90 P CA 1.015 64.081 63.100 -0.057 0.000 0.787 90 P CB 0.157 31.827 31.700 -0.051 0.000 0.802 91 I N -1.137 119.367 120.570 -0.109 0.000 2.202 91 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 91 I C 2.149 178.167 176.117 -0.164 0.000 1.091 91 I CA 1.345 62.534 61.300 -0.185 0.000 1.368 91 I CB -0.550 37.280 38.000 -0.283 0.000 1.058 91 I HN -0.111 nan 8.210 nan 0.000 0.410 92 L N 0.219 121.370 121.223 -0.120 0.000 2.046 92 L HA -0.249 4.090 4.340 -0.000 0.000 0.208 92 L C 2.207 179.047 176.870 -0.049 0.000 1.077 92 L CA 1.510 56.300 54.840 -0.084 0.000 0.747 92 L CB -0.553 41.464 42.059 -0.070 0.000 0.896 92 L HN 0.234 nan 8.230 nan 0.000 0.432 93 D N -0.329 120.043 120.400 -0.046 0.000 2.178 93 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 93 D C 2.104 178.396 176.300 -0.012 0.000 0.980 93 D CA 1.205 55.189 54.000 -0.027 0.000 0.842 93 D CB 0.190 40.971 40.800 -0.031 0.000 0.948 93 D HN 0.281 nan 8.370 nan 0.000 0.472 94 A N -0.035 122.771 122.820 -0.024 0.000 1.872 94 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 94 A C 2.314 179.923 177.584 0.042 0.000 1.187 94 A CA 1.192 53.227 52.037 -0.003 0.000 0.614 94 A CB -0.537 18.447 19.000 -0.028 0.000 0.826 94 A HN 0.239 nan 8.150 nan 0.000 0.442 95 M N -1.102 118.508 119.600 0.016 0.000 2.149 95 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 95 M C 2.211 178.635 176.300 0.207 0.000 1.064 95 M CA 1.509 56.846 55.300 0.062 0.000 1.102 95 M CB -0.469 32.102 32.600 -0.048 0.000 1.369 95 M HN 0.486 nan 8.290 nan 0.000 0.408 96 L N 0.432 121.727 121.223 0.120 0.000 2.056 96 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 96 L C 2.563 179.495 176.870 0.103 0.000 1.078 96 L CA 2.188 57.096 54.840 0.112 0.000 0.749 96 L CB -0.692 41.394 42.059 0.044 0.000 0.901 96 L HN 0.320 nan 8.230 nan 0.000 0.433 97 S N -1.286 114.462 115.700 0.081 0.000 2.515 97 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 97 S C 1.881 176.537 174.600 0.092 0.000 0.987 97 S CA 0.343 58.576 58.200 0.055 0.000 0.936 97 S CB -0.585 62.630 63.200 0.026 0.000 0.766 97 S HN 0.515 nan 8.310 nan 0.000 0.528 98 R N 0.773 121.386 120.500 0.188 0.000 2.310 98 R HA 0.239 4.578 4.340 -0.000 0.000 0.202 98 R C 1.434 177.924 176.300 0.318 0.000 0.933 98 R CA 0.474 56.742 56.100 0.281 0.000 1.054 98 R CB -0.113 30.433 30.300 0.410 0.000 0.985 98 R HN 0.618 nan 8.270 nan 0.000 0.489 99 G N 0.361 109.263 108.800 0.170 0.000 2.179 99 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.220 99 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.220 99 G C -0.042 174.716 174.900 -0.237 0.000 0.990 99 G CA -0.646 44.376 45.100 -0.130 0.000 0.646 99 G HN 0.203 nan 8.290 nan 0.000 0.517 100 F N 2.284 122.310 119.950 0.128 0.000 2.444 100 F HA 0.438 4.964 4.527 -0.000 0.000 0.360 100 F C 1.903 177.719 175.800 0.026 0.000 1.106 100 F CA 0.744 58.819 58.000 0.125 0.000 1.170 100 F CB 1.453 40.555 39.000 0.171 0.000 1.113 100 F HN 0.103 nan 8.300 nan 0.000 0.521 101 T N -2.196 112.423 114.554 0.109 0.000 3.037 101 T HA 0.196 4.546 4.350 -0.000 0.000 0.251 101 T C 0.466 175.223 174.700 0.096 0.000 1.079 101 T CA -0.025 62.107 62.100 0.053 0.000 1.067 101 T CB 0.108 68.961 68.868 -0.024 0.000 0.948 101 T HN 0.322 nan 8.240 nan 0.000 0.496 102 S N 0.888 116.694 115.700 0.177 0.000 2.548 102 S HA 0.686 5.156 4.470 -0.000 0.000 0.276 102 S C -0.866 173.896 174.600 0.269 0.000 1.129 102 S CA -0.842 57.485 58.200 0.212 0.000 0.931 102 S CB 2.284 65.657 63.200 0.288 0.000 1.068 102 S HN 0.581 nan 8.310 nan 0.000 0.480 103 V N 0.687 120.739 119.914 0.229 0.000 2.823 103 V HA 0.728 4.848 4.120 -0.000 0.000 0.312 103 V C -0.524 175.724 176.094 0.257 0.000 1.072 103 V CA -1.163 61.254 62.300 0.196 0.000 0.937 103 V CB 1.817 33.688 31.823 0.079 0.000 1.013 103 V HN 0.876 nan 8.190 nan 0.000 0.430 104 R N 1.786 122.397 120.500 0.184 0.000 2.265 104 R HA 0.442 4.782 4.340 -0.000 0.000 0.328 104 R C -0.930 175.377 176.300 0.012 0.000 0.969 104 R CA -0.364 55.828 56.100 0.153 0.000 0.832 104 R CB 1.050 31.406 30.300 0.093 0.000 1.139 104 R HN 1.029 nan 8.270 nan 0.000 0.457 105 D N 2.706 123.107 120.400 0.002 0.000 2.264 105 D HA 0.184 4.824 4.640 -0.000 0.000 0.250 105 D C 0.308 176.504 176.300 -0.173 0.000 1.113 105 D CA -0.010 53.933 54.000 -0.094 0.000 0.871 105 D CB 1.490 42.273 40.800 -0.029 0.000 1.167 105 D HN 0.608 nan 8.370 nan 0.000 0.447 106 A N 3.344 125.924 122.820 -0.400 0.000 2.370 106 A HA 0.568 4.888 4.320 -0.000 0.000 0.238 106 A C 0.772 178.306 177.584 -0.085 0.000 1.289 106 A CA 0.367 52.129 52.037 -0.458 0.000 0.885 106 A CB -0.680 17.629 19.000 -1.151 0.000 0.961 106 A HN 0.806 nan 8.150 nan 0.000 0.499 107 G N -3.070 105.748 108.800 0.029 0.000 2.801 107 G HA2 0.502 4.461 3.960 -0.000 0.000 0.648 107 G HA3 0.502 4.461 3.960 -0.000 0.000 0.648 107 G C 0.458 175.484 174.900 0.211 0.000 1.415 107 G CA 0.184 45.375 45.100 0.151 0.000 0.887 107 G HN 1.948 nan 8.290 nan 0.000 0.627 108 G N 0.486 109.362 108.800 0.128 0.000 2.698 108 G HA2 0.422 4.381 3.960 -0.000 0.000 0.200 108 G HA3 0.422 4.381 3.960 -0.000 0.000 0.200 108 G C 1.102 176.048 174.900 0.077 0.000 2.083 108 G CA 1.302 46.468 45.100 0.109 0.000 1.629 108 G HN 2.596 nan 8.290 nan 0.000 0.565 109 A N 1.811 124.670 122.820 0.064 0.000 2.477 109 A HA 0.545 4.865 4.320 -0.000 0.000 0.246 109 A C 0.537 178.154 177.584 0.055 0.000 1.078 109 A CA 1.283 53.345 52.037 0.042 0.000 0.770 109 A CB -0.022 18.988 19.000 0.016 0.000 1.011 109 A HN 1.049 nan 8.150 nan 0.000 0.494 110 D N 0.624 121.063 120.400 0.065 0.000 2.570 110 D HA 0.164 4.804 4.640 -0.000 0.000 0.266 110 D C 0.618 177.004 176.300 0.143 0.000 1.182 110 D CA -0.621 53.447 54.000 0.112 0.000 1.088 110 D CB -0.314 40.563 40.800 0.129 0.000 1.186 110 D HN 0.549 nan 8.370 nan 0.000 0.618 111 W N 0.071 121.367 121.300 -0.008 0.000 2.584 111 W HA 0.034 4.693 4.660 -0.001 0.000 0.264 111 W C 1.795 178.302 176.519 -0.019 0.000 1.264 111 W CA 1.230 58.565 57.345 -0.016 0.000 1.306 111 W CB 0.019 29.473 29.460 -0.010 0.000 1.110 111 W HN 0.261 nan 8.180 nan 0.000 0.606 112 S N 0.777 116.552 115.700 0.125 0.000 2.355 112 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 112 S C 1.866 176.387 174.600 -0.132 0.000 1.031 112 S CA 1.389 59.583 58.200 -0.011 0.000 0.993 112 S CB -0.888 62.355 63.200 0.072 0.000 0.859 112 S HN 0.284 nan 8.310 nan 0.000 0.453 113 L N 0.879 122.052 121.223 -0.084 0.000 2.141 113 L HA -0.025 4.314 4.340 -0.000 0.000 0.209 113 L C 2.613 179.384 176.870 -0.165 0.000 1.094 113 L CA 1.091 55.871 54.840 -0.101 0.000 0.763 113 L CB -0.306 41.718 42.059 -0.058 0.000 0.908 113 L HN 0.403 nan 8.230 nan 0.000 0.437 114 M N -1.150 118.321 119.600 -0.216 0.000 2.175 114 M HA -0.224 4.256 4.480 -0.000 0.000 0.264 114 M C 2.252 178.319 176.300 -0.389 0.000 1.063 114 M CA 1.584 56.711 55.300 -0.287 0.000 1.119 114 M CB -0.040 32.383 32.600 -0.295 0.000 1.377 114 M HN 0.272 nan 8.290 nan 0.000 0.415 115 Q N -0.005 119.468 119.800 -0.545 0.000 2.046 115 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 115 Q C 2.138 177.957 176.000 -0.301 0.000 0.975 115 Q CA 1.802 57.285 55.803 -0.534 0.000 0.836 115 Q CB -0.557 27.742 28.738 -0.731 0.000 0.896 115 Q HN 0.670 nan 8.270 nan 0.000 0.428 116 A N 0.978 123.658 122.820 -0.234 0.000 1.940 116 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 116 A C 2.286 179.792 177.584 -0.130 0.000 1.176 116 A CA 2.066 54.013 52.037 -0.150 0.000 0.631 116 A CB -0.858 18.074 19.000 -0.113 0.000 0.814 116 A HN 0.320 nan 8.150 nan 0.000 0.446 117 V N -2.728 117.101 119.914 -0.142 0.000 2.548 117 V HA -0.113 4.007 4.120 -0.000 0.000 0.249 117 V C 1.806 177.827 176.094 -0.122 0.000 1.055 117 V CA 2.157 64.386 62.300 -0.118 0.000 1.065 117 V CB -0.746 31.009 31.823 -0.114 0.000 0.681 117 V HN 0.567 nan 8.190 nan 0.000 0.462 118 E N 1.182 121.288 120.200 -0.156 0.000 2.216 118 E HA -0.100 4.249 4.350 -0.000 0.000 0.192 118 E C 2.294 178.827 176.600 -0.113 0.000 0.988 118 E CA 1.611 57.925 56.400 -0.144 0.000 0.834 118 E CB -0.101 29.489 29.700 -0.183 0.000 0.772 118 E HN 0.909 nan 8.360 nan 0.000 0.479 119 T N -3.259 111.226 114.554 -0.116 0.000 3.067 119 T HA 0.164 4.514 4.350 -0.000 0.000 0.257 119 T C 1.530 176.190 174.700 -0.067 0.000 1.105 119 T CA 0.510 62.558 62.100 -0.088 0.000 1.104 119 T CB 0.529 69.342 68.868 -0.091 0.000 0.925 119 T HN 0.228 nan 8.240 nan 0.000 0.498 120 G N 0.854 109.613 108.800 -0.069 0.000 2.132 120 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.234 120 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.234 120 G C 0.431 175.302 174.900 -0.049 0.000 0.989 120 G CA 0.233 45.302 45.100 -0.053 0.000 0.676 120 G HN 0.480 nan 8.290 nan 0.000 0.522 121 L N -0.298 120.890 121.223 -0.058 0.000 2.341 121 L HA 0.536 4.876 4.340 -0.000 0.000 0.214 121 L C 0.997 177.837 176.870 -0.050 0.000 1.115 121 L CA 1.003 55.812 54.840 -0.052 0.000 0.820 121 L CB 0.501 42.525 42.059 -0.059 0.000 0.944 121 L HN 0.211 nan 8.230 nan 0.000 0.452 122 V N -0.907 118.973 119.914 -0.057 0.000 2.686 122 V HA 0.310 4.429 4.120 -0.000 0.000 0.306 122 V C -0.327 175.736 176.094 -0.051 0.000 1.065 122 V CA -0.741 61.527 62.300 -0.053 0.000 0.894 122 V CB 1.885 33.671 31.823 -0.061 0.000 1.004 122 V HN 0.049 nan 8.190 nan 0.000 0.424 123 S N 3.390 119.065 115.700 -0.042 0.000 2.448 123 S HA 0.745 5.215 4.470 -0.000 0.000 0.279 123 S C 0.184 174.762 174.600 -0.036 0.000 1.195 123 S CA 0.527 58.705 58.200 -0.036 0.000 1.051 123 S CB -0.078 63.105 63.200 -0.028 0.000 0.948 123 S HN 1.355 nan 8.310 nan 0.000 0.493 124 G N 4.734 113.512 108.800 -0.036 0.000 2.441 124 G HA2 0.490 4.450 3.960 -0.000 0.000 0.294 124 G HA3 0.490 4.450 3.960 -0.000 0.000 0.294 124 G C -3.524 171.362 174.900 -0.024 0.000 1.393 124 G CA -0.877 44.204 45.100 -0.030 0.000 0.796 124 G HN 0.487 nan 8.290 nan 0.000 0.494 125 P HA 0.329 nan 4.420 nan 0.000 0.276 125 P C -0.374 176.903 177.300 -0.037 0.000 1.252 125 P CA -0.578 62.528 63.100 0.010 0.000 0.802 125 P CB 0.963 32.706 31.700 0.072 0.000 1.035 126 R N 1.526 121.994 120.500 -0.053 0.000 2.489 126 R HA 0.262 4.601 4.340 -0.000 0.000 0.287 126 R C -0.373 175.817 176.300 -0.184 0.000 1.053 126 R CA -0.014 55.994 56.100 -0.152 0.000 1.036 126 R CB -0.514 29.676 30.300 -0.183 0.000 0.966 126 R HN 0.381 nan 8.270 nan 0.000 0.432 127 I N 4.848 125.265 120.570 -0.255 0.000 2.392 127 I HA 0.234 4.404 4.170 -0.000 0.000 0.295 127 I C -0.603 175.306 176.117 -0.346 0.000 0.985 127 I CA -0.717 60.473 61.300 -0.183 0.000 1.221 127 I CB 1.349 39.283 38.000 -0.110 0.000 1.366 127 I HN 0.569 nan 8.210 nan 0.000 0.467 128 F N 6.617 126.570 119.950 0.004 0.000 2.310 128 F HA 0.341 4.868 4.527 -0.000 0.000 0.365 128 F C -2.129 173.671 175.800 -0.001 0.000 1.080 128 F CA -2.209 55.800 58.000 0.015 0.000 1.187 128 F CB 0.661 39.680 39.000 0.032 0.000 1.465 128 F HN 0.188 nan 8.300 nan 0.000 0.496 129 P HA 0.161 nan 4.420 nan 0.000 0.279 129 P C 0.032 177.369 177.300 0.062 0.000 1.239 129 P CA -0.231 62.913 63.100 0.073 0.000 0.789 129 P CB 1.852 33.594 31.700 0.069 0.000 0.933 130 S N 0.995 116.713 115.700 0.030 0.000 2.535 130 S HA 0.291 4.760 4.470 -0.000 0.000 0.214 130 S C 1.257 175.870 174.600 0.021 0.000 0.980 130 S CA 0.435 58.637 58.200 0.004 0.000 0.907 130 S CB -0.460 62.729 63.200 -0.017 0.000 0.790 130 S HN 0.894 nan 8.310 nan 0.000 0.510 131 G N 2.474 111.300 108.800 0.044 0.000 2.543 131 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.286 131 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.286 131 G C -0.623 174.307 174.900 0.051 0.000 1.153 131 G CA -0.142 44.989 45.100 0.052 0.000 0.968 131 G HN 0.325 nan 8.290 nan 0.000 0.544 132 K N 1.372 121.797 120.400 0.041 0.000 2.123 132 K HA 0.727 5.047 4.320 -0.000 0.000 0.259 132 K C 0.511 177.136 176.600 0.042 0.000 0.960 132 K CA 0.106 56.419 56.287 0.044 0.000 0.872 132 K CB 1.617 34.133 32.500 0.027 0.000 1.079 132 K HN 1.131 nan 8.250 nan 0.000 0.440 133 A N 3.216 126.070 122.820 0.057 0.000 2.425 133 A HA 0.302 4.621 4.320 -0.000 0.000 0.249 133 A C 0.069 177.688 177.584 0.059 0.000 1.084 133 A CA -0.385 51.692 52.037 0.067 0.000 0.781 133 A CB 0.011 19.067 19.000 0.094 0.000 1.019 133 A HN 0.636 nan 8.150 nan 0.000 0.490 134 L N 2.505 123.780 121.223 0.087 0.000 2.265 134 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 134 L C 0.574 177.594 176.870 0.251 0.000 1.058 134 L CA -0.037 54.883 54.840 0.133 0.000 0.809 134 L CB 1.055 43.168 42.059 0.090 0.000 1.179 134 L HN 0.738 nan 8.230 nan 0.000 0.429 135 S N 2.538 118.340 115.700 0.170 0.000 2.570 135 S HA 0.522 4.992 4.470 -0.000 0.000 0.286 135 S C -0.626 173.900 174.600 -0.124 0.000 1.099 135 S CA -0.778 57.432 58.200 0.017 0.000 0.913 135 S CB 1.917 65.051 63.200 -0.110 0.000 1.085 135 S HN 0.643 nan 8.310 nan 0.000 0.480 136 Q N 1.181 120.664 119.800 -0.528 0.000 2.237 136 Q HA 0.510 4.850 4.340 -0.000 0.000 0.219 136 Q C -0.389 175.474 176.000 -0.229 0.000 0.999 136 Q CA -0.731 54.800 55.803 -0.453 0.000 0.959 136 Q CB -0.236 28.074 28.738 -0.712 0.000 1.173 136 Q HN 0.471 nan 8.270 nan 0.000 0.527 137 T N 0.879 115.343 114.554 -0.150 0.000 2.853 137 T HA 0.354 4.704 4.350 -0.000 0.000 0.298 137 T C 0.866 175.502 174.700 -0.107 0.000 0.978 137 T CA 0.886 62.923 62.100 -0.106 0.000 1.152 137 T CB -0.037 68.792 68.868 -0.065 0.000 0.914 137 T HN 0.938 nan 8.240 nan 0.000 0.539 138 G N 2.736 111.478 108.800 -0.098 0.000 2.176 138 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.252 138 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.252 138 G C 0.460 175.310 174.900 -0.085 0.000 1.024 138 G CA -0.062 44.992 45.100 -0.076 0.000 0.755 138 G HN 1.107 nan 8.290 nan 0.000 0.507 139 G N -1.869 106.853 108.800 -0.130 0.000 2.606 139 G HA2 0.497 4.457 3.960 -0.000 0.000 0.262 139 G HA3 0.497 4.457 3.960 -0.000 0.000 0.262 139 G C 0.536 175.385 174.900 -0.084 0.000 1.394 139 G CA 0.410 45.440 45.100 -0.118 0.000 1.044 139 G HN 0.448 nan 8.290 nan 0.000 0.553 140 H N -1.101 117.868 119.070 -0.167 0.000 2.512 140 H HA 0.126 4.682 4.556 -0.000 0.000 0.279 140 H C 2.271 177.393 175.328 -0.344 0.000 0.999 140 H CA 1.536 57.489 56.048 -0.157 0.000 1.283 140 H CB 0.099 29.794 29.762 -0.112 0.000 1.421 140 H HN 0.422 nan 8.280 nan 0.000 0.554 141 G N -1.102 107.407 108.800 -0.485 0.000 2.887 141 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.211 141 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.211 141 G C 0.099 174.309 174.900 -1.150 0.000 1.152 141 G CA -0.111 44.491 45.100 -0.830 0.000 0.769 141 G HN 0.275 nan 8.290 nan 0.000 0.541 142 D N 0.288 120.259 120.400 -0.714 0.000 2.338 142 D HA 0.192 4.831 4.640 -0.000 0.000 0.255 142 D C -0.158 175.851 176.300 -0.485 0.000 1.237 142 D CA -0.432 53.276 54.000 -0.487 0.000 0.883 142 D CB 0.599 41.254 40.800 -0.242 0.000 1.087 142 D HN 0.056 nan 8.370 nan 0.000 0.485 143 F N 2.222 122.137 119.950 -0.058 0.000 2.678 143 F HA 0.236 4.763 4.527 -0.001 0.000 0.305 143 F C 1.251 177.030 175.800 -0.035 0.000 1.090 143 F CA -0.440 57.527 58.000 -0.055 0.000 1.272 143 F CB 0.019 38.980 39.000 -0.065 0.000 1.060 143 F HN 0.006 nan 8.300 nan 0.000 0.576 144 R N 2.665 123.217 120.500 0.087 0.000 2.570 144 R HA 0.113 4.453 4.340 -0.000 0.000 0.277 144 R C -2.020 174.307 176.300 0.046 0.000 1.039 144 R CA -1.203 54.928 56.100 0.052 0.000 1.065 144 R CB -0.331 29.977 30.300 0.014 0.000 0.964 144 R HN 0.001 nan 8.270 nan 0.000 0.428 145 P HA 0.043 nan 4.420 nan 0.000 0.277 145 P C -0.194 177.118 177.300 0.020 0.000 1.276 145 P CA -0.341 62.779 63.100 0.033 0.000 0.788 145 P CB 0.622 32.339 31.700 0.027 0.000 1.114 146 R N -0.627 119.883 120.500 0.018 0.000 2.323 146 R HA 0.038 4.378 4.340 -0.000 0.000 0.198 146 R C 2.070 178.375 176.300 0.008 0.000 0.988 146 R CA 1.093 57.200 56.100 0.011 0.000 1.041 146 R CB -0.972 29.335 30.300 0.011 0.000 0.926 146 R HN 0.668 nan 8.270 nan 0.000 0.476 147 G N -0.366 108.440 108.800 0.009 0.000 2.556 147 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 147 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 147 G C 0.205 175.109 174.900 0.006 0.000 1.258 147 G CA 0.740 45.844 45.100 0.008 0.000 0.811 147 G HN 0.297 nan 8.290 nan 0.000 0.557 148 D N -1.871 118.532 120.400 0.006 0.000 2.664 148 D HA 0.536 5.176 4.640 -0.000 0.000 0.292 148 D C -1.280 175.022 176.300 0.003 0.000 1.214 148 D CA -0.472 53.531 54.000 0.004 0.000 0.932 148 D CB 1.847 42.650 40.800 0.005 0.000 1.420 148 D HN -0.025 nan 8.370 nan 0.000 0.471 149 L N 1.703 122.927 121.223 0.001 0.000 2.404 149 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 149 L C -0.800 176.070 176.870 -0.000 0.000 0.980 149 L CA -0.464 54.375 54.840 -0.002 0.000 0.836 149 L CB 2.005 44.060 42.059 -0.007 0.000 1.238 149 L HN 0.121 nan 8.230 nan 0.000 0.408 150 L N 2.518 123.742 121.223 0.001 0.000 2.346 150 L HA 0.427 4.766 4.340 -0.000 0.000 0.274 150 L C 0.001 176.870 176.870 -0.002 0.000 1.007 150 L CA -0.698 54.143 54.840 0.003 0.000 0.818 150 L CB 2.465 44.529 42.059 0.008 0.000 1.284 150 L HN 0.534 nan 8.230 nan 0.000 0.424 151 E N 3.615 123.813 120.200 -0.002 0.000 2.465 151 E HA 0.054 4.404 4.350 -0.000 0.000 0.260 151 E C -2.113 174.477 176.600 -0.017 0.000 0.980 151 E CA -0.950 55.443 56.400 -0.011 0.000 0.927 151 E CB 0.244 29.940 29.700 -0.007 0.000 0.934 151 E HN 0.231 nan 8.360 nan 0.000 0.459 152 P HA 0.095 nan 4.420 nan 0.000 0.238 152 P C 0.216 177.450 177.300 -0.109 0.000 1.758 152 P CA -0.368 62.700 63.100 -0.055 0.000 1.142 152 P CB 0.006 31.671 31.700 -0.058 0.000 1.722 153 C N 0.625 119.862 119.300 -0.106 0.000 2.464 153 C HA -0.023 4.437 4.460 -0.000 0.000 0.278 153 C C 2.091 176.749 174.990 -0.553 0.000 1.375 153 C CA 0.765 59.644 59.018 -0.232 0.000 1.761 153 C CB -1.525 26.202 27.740 -0.022 0.000 1.944 153 C HN 0.447 nan 8.230 nan 0.000 0.509 154 S N -0.225 115.341 115.700 -0.224 0.000 2.607 154 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 154 S C 1.516 176.023 174.600 -0.155 0.000 0.969 154 S CA 0.924 59.061 58.200 -0.105 0.000 0.927 154 S CB -1.243 62.018 63.200 0.101 0.000 0.772 154 S HN 0.768 nan 8.310 nan 0.000 0.533 155 C N 1.047 120.215 119.300 -0.219 0.000 2.413 155 C HA -0.104 4.356 4.460 -0.000 0.000 0.276 155 C C 2.951 177.869 174.990 -0.120 0.000 1.236 155 C CA 0.683 59.623 59.018 -0.131 0.000 1.735 155 C CB -1.511 26.153 27.740 -0.126 0.000 2.031 155 C HN 0.750 nan 8.230 nan 0.000 0.474 156 C N -0.308 118.846 119.300 -0.242 0.000 2.464 156 C HA 0.025 4.485 4.460 -0.000 0.000 0.278 156 C C 2.368 177.404 174.990 0.076 0.000 1.375 156 C CA 0.497 59.448 59.018 -0.111 0.000 1.761 156 C CB -1.613 26.043 27.740 -0.141 0.000 1.944 156 C HN 0.618 nan 8.230 nan 0.000 0.509 157 F N 0.401 120.364 119.950 0.022 0.000 2.234 157 F HA 0.027 4.554 4.527 -0.000 0.000 0.296 157 F C 1.421 177.234 175.800 0.022 0.000 1.089 157 F CA 0.100 58.112 58.000 0.020 0.000 1.343 157 F CB -0.156 38.854 39.000 0.016 0.000 1.040 157 F HN -0.015 nan 8.300 nan 0.000 0.498 158 R N 1.583 122.194 120.500 0.185 0.000 2.370 158 R HA 0.050 4.389 4.340 -0.000 0.000 0.309 158 R C 1.026 177.380 176.300 0.090 0.000 1.059 158 R CA 0.195 56.364 56.100 0.114 0.000 0.981 158 R CB 0.023 30.372 30.300 0.082 0.000 0.972 158 R HN 0.176 nan 8.270 nan 0.000 0.437 159 T N -1.601 112.999 114.554 0.078 0.000 3.100 159 T HA 0.026 4.375 4.350 -0.000 0.000 0.253 159 T C 1.513 176.243 174.700 0.050 0.000 1.118 159 T CA 0.580 62.719 62.100 0.065 0.000 1.058 159 T CB 0.355 69.258 68.868 0.058 0.000 0.953 159 T HN 0.566 nan 8.240 nan 0.000 0.515 160 G N 0.786 109.612 108.800 0.043 0.000 3.042 160 G HA2 0.495 4.454 3.960 -0.000 0.000 0.212 160 G HA3 0.495 4.454 3.960 -0.000 0.000 0.212 160 G C 0.567 175.487 174.900 0.033 0.000 1.166 160 G CA -0.033 45.084 45.100 0.029 0.000 0.767 160 G HN 0.765 nan 8.290 nan 0.000 0.546 161 A N 0.715 123.567 122.820 0.054 0.000 2.409 161 A HA 0.533 4.852 4.320 -0.000 0.000 0.262 161 A C 1.234 178.867 177.584 0.082 0.000 1.113 161 A CA -0.427 51.656 52.037 0.077 0.000 0.790 161 A CB 0.481 19.524 19.000 0.072 0.000 1.046 161 A HN 0.053 nan 8.150 nan 0.000 0.496 162 I N 1.222 121.859 120.570 0.112 0.000 2.333 162 I HA 0.015 4.185 4.170 -0.000 0.000 0.246 162 I C 1.514 177.688 176.117 0.095 0.000 1.106 162 I CA 1.736 63.094 61.300 0.098 0.000 1.411 162 I CB -1.426 36.599 38.000 0.042 0.000 1.082 162 I HN 0.680 nan 8.210 nan 0.000 0.420 163 A N 1.158 124.022 122.820 0.075 0.000 2.437 163 A HA 0.821 5.141 4.320 -0.000 0.000 0.288 163 A C -0.211 177.359 177.584 -0.023 0.000 1.201 163 A CA -0.601 51.437 52.037 0.001 0.000 0.795 163 A CB 1.538 20.482 19.000 -0.093 0.000 1.359 163 A HN 0.284 nan 8.150 nan 0.000 0.435 164 R N -0.616 119.860 120.500 -0.039 0.000 2.673 164 R HA 0.670 5.010 4.340 -0.000 0.000 0.281 164 R C -1.934 174.334 176.300 -0.053 0.000 0.991 164 R CA -0.713 55.354 56.100 -0.055 0.000 0.896 164 R CB 1.473 31.744 30.300 -0.048 0.000 1.201 164 R HN 0.296 nan 8.270 nan 0.000 0.457 165 V N 3.106 122.978 119.914 -0.070 0.000 2.408 165 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 165 V C 0.071 176.157 176.094 -0.014 0.000 1.047 165 V CA -0.363 61.903 62.300 -0.056 0.000 0.937 165 V CB 0.993 32.767 31.823 -0.081 0.000 0.999 165 V HN 0.622 nan 8.190 nan 0.000 0.472 166 V N 1.777 121.721 119.914 0.050 0.000 2.841 166 V HA 0.805 4.925 4.120 -0.000 0.000 0.310 166 V C -1.147 175.043 176.094 0.161 0.000 1.090 166 V CA -0.898 61.449 62.300 0.079 0.000 0.930 166 V CB 2.212 34.076 31.823 0.069 0.000 1.014 166 V HN 0.749 nan 8.190 nan 0.000 0.425 167 D N 1.443 121.911 120.400 0.112 0.000 2.601 167 D HA 0.837 5.477 4.640 -0.000 0.000 0.230 167 D C 0.127 176.487 176.300 0.100 0.000 1.106 167 D CA 0.590 54.676 54.000 0.144 0.000 0.873 167 D CB 1.842 42.682 40.800 0.068 0.000 1.515 167 D HN 1.495 nan 8.370 nan 0.000 0.468 168 G N -0.767 108.099 108.800 0.110 0.000 2.719 168 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 168 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 168 G C 0.639 175.556 174.900 0.029 0.000 1.201 168 G CA -0.488 44.647 45.100 0.058 0.000 0.768 168 G HN 0.419 nan 8.290 nan 0.000 0.629 169 V N 1.514 121.436 119.914 0.014 0.000 2.255 169 V HA -0.189 3.930 4.120 -0.000 0.000 0.247 169 V C 2.696 178.780 176.094 -0.017 0.000 1.051 169 V CA 2.808 65.102 62.300 -0.010 0.000 1.018 169 V CB -0.482 31.338 31.823 -0.005 0.000 0.641 169 V HN 0.813 nan 8.190 nan 0.000 0.445 170 E N 0.563 120.759 120.200 -0.007 0.000 2.150 170 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 170 E C 2.332 178.926 176.600 -0.009 0.000 0.985 170 E CA 1.315 57.710 56.400 -0.008 0.000 0.814 170 E CB -0.587 29.111 29.700 -0.003 0.000 0.752 170 E HN 0.640 nan 8.360 nan 0.000 0.466 171 G N 1.799 110.598 108.800 -0.002 0.000 2.408 171 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 171 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 171 G C 1.858 176.753 174.900 -0.007 0.000 1.150 171 G CA 1.308 46.409 45.100 0.002 0.000 0.776 171 G HN 0.303 nan 8.290 nan 0.000 0.542 172 V N -1.726 118.173 119.914 -0.025 0.000 2.488 172 V HA 0.146 4.265 4.120 -0.000 0.000 0.246 172 V C 2.448 178.501 176.094 -0.068 0.000 1.046 172 V CA 1.568 63.827 62.300 -0.069 0.000 1.053 172 V CB -0.534 31.180 31.823 -0.182 0.000 0.679 172 V HN 0.241 nan 8.190 nan 0.000 0.458 173 R N -0.194 120.274 120.500 -0.054 0.000 2.083 173 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 173 R C 2.348 178.629 176.300 -0.032 0.000 1.137 173 R CA 2.202 58.276 56.100 -0.043 0.000 0.951 173 R CB -0.539 29.743 30.300 -0.031 0.000 0.851 173 R HN 0.562 nan 8.270 nan 0.000 0.434 174 L N 0.589 121.798 121.223 -0.024 0.000 2.046 174 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 174 L C 2.262 179.120 176.870 -0.021 0.000 1.077 174 L CA 2.092 56.921 54.840 -0.019 0.000 0.747 174 L CB -0.561 41.491 42.059 -0.012 0.000 0.896 174 L HN 0.182 nan 8.230 nan 0.000 0.432 175 A N -1.166 121.640 122.820 -0.023 0.000 1.908 175 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 175 A C 2.246 179.814 177.584 -0.026 0.000 1.181 175 A CA 2.078 54.102 52.037 -0.022 0.000 0.627 175 A CB -1.110 17.878 19.000 -0.020 0.000 0.818 175 A HN 0.322 nan 8.150 nan 0.000 0.445 176 V N -0.061 119.832 119.914 -0.035 0.000 2.261 176 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 176 V C 2.611 178.687 176.094 -0.030 0.000 1.047 176 V CA 2.274 64.552 62.300 -0.037 0.000 1.015 176 V CB -0.860 30.936 31.823 -0.046 0.000 0.642 176 V HN 0.541 nan 8.190 nan 0.000 0.446 177 R N -0.149 120.334 120.500 -0.028 0.000 2.091 177 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 177 R C 2.324 178.608 176.300 -0.027 0.000 1.136 177 R CA 1.877 57.962 56.100 -0.026 0.000 0.959 177 R CB -0.351 29.936 30.300 -0.022 0.000 0.856 177 R HN 0.632 nan 8.270 nan 0.000 0.437 178 E N 0.195 120.381 120.200 -0.022 0.000 2.051 178 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 178 E C 2.010 178.598 176.600 -0.020 0.000 0.991 178 E CA 0.921 57.309 56.400 -0.019 0.000 0.799 178 E CB 0.072 29.765 29.700 -0.011 0.000 0.748 178 E HN 0.263 nan 8.360 nan 0.000 0.449 179 E N 0.574 120.763 120.200 -0.018 0.000 2.072 179 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 179 E C 2.146 178.735 176.600 -0.019 0.000 0.985 179 E CA 0.693 57.086 56.400 -0.012 0.000 0.801 179 E CB -0.167 29.527 29.700 -0.009 0.000 0.750 179 E HN 0.321 nan 8.360 nan 0.000 0.452 180 I N 1.258 121.811 120.570 -0.028 0.000 2.315 180 I HA -0.299 3.870 4.170 -0.000 0.000 0.248 180 I C 2.592 178.676 176.117 -0.056 0.000 1.117 180 I CA 1.220 62.501 61.300 -0.032 0.000 1.404 180 I CB -0.038 37.945 38.000 -0.029 0.000 1.071 180 I HN 0.084 nan 8.210 nan 0.000 0.419 181 Q N 1.202 120.964 119.800 -0.064 0.000 2.297 181 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 181 Q C 1.705 177.619 176.000 -0.143 0.000 0.962 181 Q CA 1.467 57.211 55.803 -0.098 0.000 0.879 181 Q CB -0.302 28.391 28.738 -0.076 0.000 0.947 181 Q HN 0.261 nan 8.270 nan 0.000 0.462 182 K N -0.132 120.210 120.400 -0.097 0.000 2.555 182 K HA 0.126 4.446 4.320 -0.000 0.000 0.193 182 K C 0.359 176.890 176.600 -0.114 0.000 1.032 182 K CA 0.505 56.737 56.287 -0.091 0.000 1.004 182 K CB -0.051 32.443 32.500 -0.011 0.000 0.804 182 K HN 0.516 nan 8.250 nan 0.000 0.496 183 G N 0.618 109.324 108.800 -0.158 0.000 2.130 183 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 183 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 183 G C 0.093 175.074 174.900 0.134 0.000 0.999 183 G CA -0.076 44.944 45.100 -0.134 0.000 0.686 183 G HN 0.422 nan 8.290 nan 0.000 0.515 184 A N -0.357 122.504 122.820 0.067 0.000 2.366 184 A HA 0.774 5.094 4.320 -0.000 0.000 0.249 184 A C 1.568 179.195 177.584 0.073 0.000 1.084 184 A CA 1.261 53.343 52.037 0.075 0.000 0.794 184 A CB 0.457 19.473 19.000 0.026 0.000 1.034 184 A HN 1.420 nan 8.150 nan 0.000 0.491 185 T N -1.751 112.851 114.554 0.081 0.000 3.018 185 T HA 0.208 4.557 4.350 -0.000 0.000 0.246 185 T C 0.563 175.243 174.700 -0.033 0.000 1.026 185 T CA 0.655 62.812 62.100 0.095 0.000 1.081 185 T CB -0.028 68.985 68.868 0.242 0.000 0.970 185 T HN 0.882 nan 8.240 nan 0.000 0.475 186 Q N 0.235 119.953 119.800 -0.136 0.000 2.553 186 Q HA 0.570 4.910 4.340 -0.000 0.000 0.293 186 Q C -1.477 174.374 176.000 -0.249 0.000 1.038 186 Q CA -1.076 54.492 55.803 -0.392 0.000 0.777 186 Q CB 1.499 29.699 28.738 -0.897 0.000 1.487 186 Q HN 0.170 nan 8.270 nan 0.000 0.426 190 M N 2.976 122.752 119.600 0.293 0.000 2.072 190 M HA 0.521 5.000 4.480 -0.000 0.000 0.331 190 M C 0.358 176.834 176.300 0.293 0.000 1.004 190 M CA -0.386 55.095 55.300 0.302 0.000 0.952 190 M CB 0.911 33.641 32.600 0.216 0.000 1.511 190 M HN 0.898 nan 8.290 nan 0.000 0.422 191 A N 2.363 125.341 122.820 0.263 0.000 2.348 191 A HA 0.405 4.725 4.320 -0.000 0.000 0.224 191 A C 0.768 178.429 177.584 0.128 0.000 1.227 191 A CA 0.471 52.618 52.037 0.184 0.000 0.885 191 A CB 0.215 19.291 19.000 0.127 0.000 0.933 191 A HN 0.830 nan 8.150 nan 0.000 0.506 192 S N -2.453 113.341 115.700 0.157 0.000 2.727 192 S HA 0.652 5.122 4.470 -0.000 0.000 0.278 192 S C 0.329 175.023 174.600 0.156 0.000 1.186 192 S CA -0.140 58.128 58.200 0.112 0.000 0.836 192 S CB 0.394 63.632 63.200 0.062 0.000 1.186 192 S HN 0.932 nan 8.310 nan 0.000 0.499 193 G N -0.878 107.989 108.800 0.113 0.000 2.588 193 G HA2 0.618 4.578 3.960 -0.000 0.000 0.278 193 G HA3 0.618 4.578 3.960 -0.000 0.000 0.278 193 G C 0.414 175.379 174.900 0.109 0.000 1.307 193 G CA -0.127 45.029 45.100 0.093 0.000 1.016 193 G HN 1.398 nan 8.290 nan 0.000 0.503 194 G N -2.717 106.084 108.800 0.002 0.000 3.111 194 G HA2 0.418 4.378 3.960 -0.000 0.000 0.158 194 G HA3 0.418 4.378 3.960 -0.000 0.000 0.158 194 G C -0.023 174.968 174.900 0.151 0.000 1.161 194 G CA 0.690 45.827 45.100 0.061 0.000 1.025 194 G HN 0.807 nan 8.290 nan 0.000 0.619 195 V N 0.165 120.293 119.914 0.356 0.000 3.029 195 V HA 0.380 4.500 4.120 -0.000 0.000 0.230 195 V C 2.387 178.620 176.094 0.232 0.000 1.254 195 V CA 1.330 63.761 62.300 0.219 0.000 1.276 195 V CB 0.502 32.440 31.823 0.192 0.000 1.080 195 V HN 0.809 nan 8.190 nan 0.000 0.495 196 A N 1.004 123.995 122.820 0.284 0.000 2.327 196 A HA 0.397 4.717 4.320 -0.000 0.000 0.228 196 A C 0.812 178.471 177.584 0.126 0.000 1.275 196 A CA 0.685 52.797 52.037 0.125 0.000 0.875 196 A CB -0.483 18.544 19.000 0.045 0.000 0.925 196 A HN 0.593 nan 8.150 nan 0.000 0.493 197 S N -1.270 114.558 115.700 0.212 0.000 2.557 197 S HA 0.589 5.058 4.470 -0.000 0.000 0.291 197 S C -2.097 172.609 174.600 0.177 0.000 1.116 197 S CA -1.226 57.124 58.200 0.250 0.000 0.992 197 S CB 2.316 65.615 63.200 0.165 0.000 1.028 197 S HN 0.042 nan 8.310 nan 0.000 0.484 198 P HA -0.098 nan 4.420 nan 0.000 0.213 198 P C 1.569 178.910 177.300 0.068 0.000 1.170 198 P CA 1.936 65.088 63.100 0.088 0.000 0.889 198 P CB -0.625 31.118 31.700 0.072 0.000 0.782 199 T N -2.406 112.183 114.554 0.058 0.000 3.072 199 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 199 T C 0.556 175.277 174.700 0.036 0.000 1.127 199 T CA 0.313 62.434 62.100 0.035 0.000 1.107 199 T CB -0.850 68.028 68.868 0.017 0.000 0.910 199 T HN 0.227 nan 8.240 nan 0.000 0.513 200 D N 1.583 122.020 120.400 0.061 0.000 2.414 200 D HA 0.375 5.014 4.640 -0.000 0.000 0.232 200 D C -3.273 173.066 176.300 0.065 0.000 1.070 200 D CA -2.426 51.611 54.000 0.062 0.000 0.839 200 D CB 1.895 42.744 40.800 0.081 0.000 1.079 200 D HN 0.078 nan 8.370 nan 0.000 0.521 201 P HA 0.069 nan 4.420 nan 0.000 0.272 201 P C 1.446 178.750 177.300 0.005 0.000 1.223 201 P CA -0.617 62.489 63.100 0.011 0.000 0.784 201 P CB 1.110 32.808 31.700 -0.003 0.000 0.923 202 I N 0.975 121.522 120.570 -0.038 0.000 2.454 202 I HA -0.224 3.945 4.170 -0.000 0.000 0.254 202 I C 1.398 177.497 176.117 -0.030 0.000 1.156 202 I CA 1.921 63.176 61.300 -0.076 0.000 1.433 202 I CB -0.599 37.234 38.000 -0.278 0.000 1.082 202 I HN 0.254 nan 8.210 nan 0.000 0.432 203 A N 2.241 125.041 122.820 -0.032 0.000 1.969 203 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 203 A C 1.164 178.752 177.584 0.006 0.000 1.169 203 A CA 1.050 53.077 52.037 -0.017 0.000 0.635 203 A CB -0.862 18.123 19.000 -0.025 0.000 0.810 203 A HN 0.793 nan 8.150 nan 0.000 0.445 204 N N 0.293 119.000 118.700 0.012 0.000 2.493 204 N HA 0.296 5.036 4.740 -0.000 0.000 0.275 204 N C -0.437 175.091 175.510 0.030 0.000 1.186 204 N CA 0.297 53.357 53.050 0.017 0.000 0.978 204 N CB 0.615 39.108 38.487 0.011 0.000 1.184 204 N HN 0.189 nan 8.380 nan 0.000 0.487 205 T N -1.956 112.614 114.554 0.027 0.000 2.867 205 T HA 0.277 4.627 4.350 -0.000 0.000 0.282 205 T C -0.326 174.392 174.700 0.030 0.000 1.000 205 T CA -0.834 61.288 62.100 0.037 0.000 1.042 205 T CB 1.533 70.424 68.868 0.038 0.000 0.973 205 T HN 0.509 nan 8.240 nan 0.000 0.465 206 Q N 1.349 121.174 119.800 0.041 0.000 2.306 206 Q HA 0.494 4.834 4.340 -0.000 0.000 0.265 206 Q C -1.287 174.758 176.000 0.074 0.000 1.022 206 Q CA -0.984 54.809 55.803 -0.016 0.000 0.853 206 Q CB 1.851 30.549 28.738 -0.067 0.000 1.327 206 Q HN 0.852 nan 8.270 nan 0.000 0.449 207 Y N -0.521 119.797 120.300 0.029 0.000 2.535 207 Y HA -0.296 4.253 4.550 -0.001 0.000 0.023 207 Y C 0.239 176.150 175.900 0.018 0.000 1.731 207 Y CA 0.073 58.186 58.100 0.022 0.000 1.399 207 Y CB -0.371 38.104 38.460 0.025 0.000 2.046 207 Y HN 0.789 nan 8.280 nan 0.000 0.258 208 S N 1.742 117.575 115.700 0.222 0.000 2.603 208 S HA 0.195 4.665 4.470 -0.000 0.000 0.268 208 S C 0.797 175.449 174.600 0.086 0.000 1.317 208 S CA -0.151 58.118 58.200 0.116 0.000 1.012 208 S CB 1.633 64.884 63.200 0.085 0.000 0.926 208 S HN 0.708 nan 8.310 nan 0.000 0.539 209 E N 0.730 120.963 120.200 0.055 0.000 2.160 209 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 209 E C 0.949 177.559 176.600 0.017 0.000 0.991 209 E CA 1.413 57.833 56.400 0.033 0.000 0.810 209 E CB -0.150 29.566 29.700 0.026 0.000 0.742 209 E HN 0.678 nan 8.360 nan 0.000 0.466 210 D N 0.642 121.053 120.400 0.019 0.000 2.117 210 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 210 D C 1.649 177.941 176.300 -0.013 0.000 0.982 210 D CA 0.962 54.966 54.000 0.007 0.000 0.828 210 D CB -0.062 40.746 40.800 0.013 0.000 0.967 210 D HN 0.222 nan 8.370 nan 0.000 0.464 211 E N -0.110 120.082 120.200 -0.014 0.000 2.072 211 E HA -0.069 4.280 4.350 -0.000 0.000 0.191 211 E C 2.239 178.746 176.600 -0.155 0.000 0.985 211 E CA 0.458 56.808 56.400 -0.085 0.000 0.801 211 E CB 0.039 29.697 29.700 -0.070 0.000 0.750 211 E HN 0.323 nan 8.360 nan 0.000 0.452 212 I N 0.621 121.131 120.570 -0.100 0.000 2.315 212 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 212 I C 2.422 178.504 176.117 -0.057 0.000 1.117 212 I CA 0.937 62.183 61.300 -0.089 0.000 1.404 212 I CB -0.258 37.730 38.000 -0.019 0.000 1.071 212 I HN 0.008 nan 8.210 nan 0.000 0.419 213 R N 0.886 121.365 120.500 -0.034 0.000 2.115 213 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 213 R C 2.485 178.768 176.300 -0.029 0.000 1.111 213 R CA 1.363 57.451 56.100 -0.020 0.000 0.976 213 R CB -0.336 29.960 30.300 -0.007 0.000 0.870 213 R HN 0.370 nan 8.270 nan 0.000 0.445 214 A N 1.050 123.843 122.820 -0.045 0.000 1.898 214 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 214 A C 2.086 179.635 177.584 -0.058 0.000 1.181 214 A CA 1.134 53.142 52.037 -0.048 0.000 0.620 214 A CB -0.350 18.617 19.000 -0.056 0.000 0.819 214 A HN 0.165 nan 8.150 nan 0.000 0.442 215 I N -0.778 119.740 120.570 -0.087 0.000 2.233 215 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 215 I C 2.355 178.443 176.117 -0.048 0.000 1.093 215 I CA 0.897 62.144 61.300 -0.088 0.000 1.380 215 I CB -0.362 37.553 38.000 -0.141 0.000 1.067 215 I HN 0.131 nan 8.210 nan 0.000 0.413 216 V N 1.031 120.926 119.914 -0.033 0.000 2.332 216 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 216 V C 2.020 178.117 176.094 0.005 0.000 1.055 216 V CA 2.169 64.468 62.300 -0.001 0.000 1.038 216 V CB -0.646 31.182 31.823 0.009 0.000 0.651 216 V HN 0.406 nan 8.190 nan 0.000 0.450 217 D N -0.724 119.673 120.400 -0.004 0.000 2.178 217 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 217 D C 2.300 178.599 176.300 -0.002 0.000 0.974 217 D CA 0.785 54.786 54.000 0.001 0.000 0.841 217 D CB -0.137 40.661 40.800 -0.003 0.000 0.953 217 D HN 0.373 nan 8.370 nan 0.000 0.478 218 E N 0.208 120.400 120.200 -0.013 0.000 2.158 218 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 218 E C 1.993 178.586 176.600 -0.011 0.000 0.982 218 E CA 0.497 56.888 56.400 -0.015 0.000 0.823 218 E CB -0.115 29.569 29.700 -0.026 0.000 0.766 218 E HN 0.202 nan 8.360 nan 0.000 0.468 219 A N 1.303 124.117 122.820 -0.011 0.000 1.898 219 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 219 A C 2.039 179.636 177.584 0.022 0.000 1.181 219 A CA 1.341 53.374 52.037 -0.006 0.000 0.620 219 A CB -0.396 18.596 19.000 -0.013 0.000 0.819 219 A HN 0.171 nan 8.150 nan 0.000 0.442 220 E N -0.249 119.969 120.200 0.032 0.000 2.110 220 E HA -0.113 4.236 4.350 -0.000 0.000 0.193 220 E C 2.163 178.781 176.600 0.030 0.000 0.988 220 E CA 0.943 57.367 56.400 0.042 0.000 0.804 220 E CB -0.250 29.473 29.700 0.039 0.000 0.745 220 E HN 0.614 nan 8.360 nan 0.000 0.458 221 A N 0.847 123.678 122.820 0.017 0.000 2.066 221 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 221 A C 2.071 179.662 177.584 0.012 0.000 1.157 221 A CA 1.236 53.281 52.037 0.012 0.000 0.670 221 A CB -0.076 18.927 19.000 0.005 0.000 0.804 221 A HN 0.234 nan 8.150 nan 0.000 0.453 222 A N -0.710 122.117 122.820 0.012 0.000 2.379 222 A HA 0.321 4.641 4.320 -0.000 0.000 0.236 222 A C 0.454 178.054 177.584 0.027 0.000 1.272 222 A CA -0.059 51.985 52.037 0.012 0.000 0.886 222 A CB -0.329 18.672 19.000 0.001 0.000 0.962 222 A HN 0.404 nan 8.150 nan 0.000 0.504 223 N N 0.273 118.995 118.700 0.037 0.000 2.708 223 N HA -0.133 4.606 4.740 -0.000 0.000 0.255 223 N C 0.032 175.590 175.510 0.080 0.000 1.046 223 N CA 1.540 54.623 53.050 0.055 0.000 0.715 223 N CB -1.353 37.163 38.487 0.049 0.000 0.895 223 N HN 0.674 nan 8.380 nan 0.000 0.545 224 T N -1.567 113.039 114.554 0.088 0.000 2.584 224 T HA 0.722 5.071 4.350 -0.000 0.000 0.273 224 T C -1.518 173.300 174.700 0.197 0.000 0.978 224 T CA -0.080 62.099 62.100 0.133 0.000 1.159 224 T CB 1.019 69.896 68.868 0.015 0.000 1.556 224 T HN 0.273 nan 8.240 nan 0.000 0.472 225 Y N -1.462 118.851 120.300 0.021 0.000 2.829 225 Y HA 0.832 5.382 4.550 -0.000 0.000 0.322 225 Y C -1.793 174.120 175.900 0.022 0.000 1.357 225 Y CA -1.250 56.865 58.100 0.024 0.000 1.081 225 Y CB 0.863 39.343 38.460 0.033 0.000 1.339 225 Y HN 0.358 nan 8.280 nan 0.000 0.469 226 V N 3.503 123.519 119.914 0.169 0.000 2.487 226 V HA 0.401 4.521 4.120 -0.000 0.000 0.298 226 V C -0.305 175.893 176.094 0.172 0.000 1.028 226 V CA -0.903 61.435 62.300 0.063 0.000 0.860 226 V CB 1.508 33.360 31.823 0.048 0.000 0.991 226 V HN 0.790 nan 8.190 nan 0.000 0.427 227 M N 3.643 123.305 119.600 0.103 0.000 2.157 227 M HA 0.892 5.372 4.480 -0.000 0.000 0.354 227 M C -0.299 176.077 176.300 0.127 0.000 1.170 227 M CA -0.334 55.056 55.300 0.150 0.000 1.060 227 M CB 1.439 34.127 32.600 0.146 0.000 1.615 227 M HN 0.544 nan 8.290 nan 0.000 0.460 228 A N 2.196 125.090 122.820 0.124 0.000 2.318 228 A HA 0.457 4.777 4.320 -0.000 0.000 0.317 228 A C -1.095 176.570 177.584 0.134 0.000 1.159 228 A CA -0.656 51.459 52.037 0.130 0.000 0.799 228 A CB 0.359 19.415 19.000 0.093 0.000 1.194 228 A HN 0.960 nan 8.150 nan 0.000 0.479 229 H N 2.094 121.223 119.070 0.099 0.000 2.878 229 H HA 0.557 5.113 4.556 -0.000 0.000 0.290 229 H C -0.134 175.198 175.328 0.007 0.000 1.065 229 H CA 0.851 56.951 56.048 0.086 0.000 1.477 229 H CB 0.409 30.290 29.762 0.198 0.000 1.484 229 H HN 0.870 nan 8.280 nan 0.000 0.504 230 A N 5.026 127.585 122.820 -0.434 0.000 2.513 230 A HA 0.322 4.641 4.320 -0.000 0.000 0.296 230 A C -1.375 175.986 177.584 -0.371 0.000 1.052 230 A CA -0.728 51.110 52.037 -0.332 0.000 0.714 230 A CB 0.345 19.291 19.000 -0.091 0.000 1.279 230 A HN 0.700 nan 8.150 nan 0.000 0.397 231 Y N 1.232 121.436 120.300 -0.160 0.000 2.333 231 Y HA 0.149 4.699 4.550 -0.000 0.000 0.287 231 Y C 2.154 178.019 175.900 -0.059 0.000 1.149 231 Y CA 1.590 59.623 58.100 -0.111 0.000 1.193 231 Y CB -0.178 38.190 38.460 -0.154 0.000 1.175 231 Y HN 0.730 nan 8.280 nan 0.000 0.518 232 T N -1.128 113.500 114.554 0.123 0.000 2.918 232 T HA 0.255 4.605 4.350 -0.000 0.000 0.302 232 T C 1.583 176.303 174.700 0.034 0.000 1.045 232 T CA -0.038 62.093 62.100 0.052 0.000 1.114 232 T CB 1.403 70.288 68.868 0.027 0.000 0.965 232 T HN 0.439 nan 8.240 nan 0.000 0.540 233 G N 1.018 109.828 108.800 0.017 0.000 2.462 233 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 233 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 233 G C 1.500 176.408 174.900 0.012 0.000 1.121 233 G CA 0.680 45.788 45.100 0.014 0.000 0.758 233 G HN 0.876 nan 8.290 nan 0.000 0.559 234 R N 0.618 121.124 120.500 0.010 0.000 2.083 234 R HA -0.019 4.321 4.340 -0.000 0.000 0.237 234 R C 2.744 179.052 176.300 0.015 0.000 1.137 234 R CA 1.650 57.757 56.100 0.010 0.000 0.951 234 R CB -0.457 29.849 30.300 0.009 0.000 0.851 234 R HN 0.258 nan 8.270 nan 0.000 0.434 235 A N 0.624 123.456 122.820 0.020 0.000 2.014 235 A HA -0.043 4.276 4.320 -0.000 0.000 0.218 235 A C 2.110 179.704 177.584 0.017 0.000 1.163 235 A CA 1.025 53.076 52.037 0.024 0.000 0.652 235 A CB -0.272 18.745 19.000 0.028 0.000 0.808 235 A HN 0.376 nan 8.150 nan 0.000 0.449 236 I N -0.515 120.063 120.570 0.014 0.000 2.277 236 I HA -0.167 4.002 4.170 -0.000 0.000 0.243 236 I C 2.965 179.079 176.117 -0.005 0.000 1.094 236 I CA 0.871 62.177 61.300 0.010 0.000 1.393 236 I CB -0.347 37.671 38.000 0.030 0.000 1.078 236 I HN 0.308 nan 8.210 nan 0.000 0.417 237 A N 1.983 124.801 122.820 -0.003 0.000 1.892 237 A HA -0.282 4.037 4.320 -0.000 0.000 0.218 237 A C 2.329 179.890 177.584 -0.038 0.000 1.188 237 A CA 2.473 54.498 52.037 -0.019 0.000 0.631 237 A CB -0.812 18.187 19.000 -0.002 0.000 0.822 237 A HN 0.514 nan 8.150 nan 0.000 0.447 238 R N -0.176 120.315 120.500 -0.015 0.000 2.096 238 R HA 0.101 4.440 4.340 -0.000 0.000 0.235 238 R C 2.191 178.479 176.300 -0.020 0.000 1.127 238 R CA 1.543 57.636 56.100 -0.010 0.000 0.968 238 R CB -0.834 29.473 30.300 0.011 0.000 0.861 238 R HN 0.343 nan 8.270 nan 0.000 0.440 239 A N 1.354 124.166 122.820 -0.013 0.000 1.898 239 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 239 A C 2.422 179.977 177.584 -0.050 0.000 1.181 239 A CA 1.515 53.546 52.037 -0.009 0.000 0.620 239 A CB -0.526 18.483 19.000 0.014 0.000 0.819 239 A HN 0.163 nan 8.150 nan 0.000 0.442 240 V N -0.268 119.586 119.914 -0.099 0.000 2.453 240 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 240 V C 2.528 178.403 176.094 -0.366 0.000 1.048 240 V CA 1.928 64.103 62.300 -0.209 0.000 1.049 240 V CB -0.786 30.897 31.823 -0.234 0.000 0.672 240 V HN 0.489 nan 8.190 nan 0.000 0.457 241 R N -1.008 119.328 120.500 -0.274 0.000 2.189 241 R HA -0.104 4.236 4.340 -0.000 0.000 0.218 241 R C 2.199 178.464 176.300 -0.059 0.000 1.074 241 R CA 1.452 57.442 56.100 -0.182 0.000 0.991 241 R CB -0.413 29.845 30.300 -0.070 0.000 0.883 241 R HN 0.481 nan 8.270 nan 0.000 0.457 242 C N -1.156 118.115 119.300 -0.048 0.000 2.464 242 C HA 0.156 4.616 4.460 -0.000 0.000 0.278 242 C C 1.396 176.384 174.990 -0.003 0.000 1.375 242 C CA 0.860 59.871 59.018 -0.012 0.000 1.761 242 C CB -0.181 27.555 27.740 -0.007 0.000 1.944 242 C HN 0.774 nan 8.230 nan 0.000 0.509 243 G N 0.530 109.319 108.800 -0.020 0.000 2.245 243 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.130 243 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.130 243 G C -0.119 174.799 174.900 0.030 0.000 1.040 243 G CA 0.090 45.198 45.100 0.013 0.000 0.713 243 G HN 0.896 nan 8.290 nan 0.000 0.488 244 V N -1.669 118.256 119.914 0.017 0.000 2.649 244 V HA 0.733 4.853 4.120 -0.000 0.000 0.292 244 V C 1.442 177.582 176.094 0.075 0.000 1.055 244 V CA 0.226 62.561 62.300 0.058 0.000 1.023 244 V CB 1.604 33.459 31.823 0.054 0.000 0.992 244 V HN 0.393 nan 8.190 nan 0.000 0.480 245 R N 2.539 123.126 120.500 0.144 0.000 2.057 245 R HA 0.111 4.451 4.340 -0.000 0.000 0.224 245 R C 1.065 177.464 176.300 0.164 0.000 1.136 245 R CA 1.243 57.429 56.100 0.143 0.000 0.968 245 R CB -0.016 30.372 30.300 0.147 0.000 0.863 245 R HN 0.992 nan 8.270 nan 0.000 0.433 246 T N -1.105 113.566 114.554 0.194 0.000 2.856 246 T HA 0.477 4.827 4.350 -0.000 0.000 0.283 246 T C -0.256 174.501 174.700 0.094 0.000 1.008 246 T CA -0.913 61.283 62.100 0.161 0.000 0.997 246 T CB 1.556 70.513 68.868 0.148 0.000 0.992 246 T HN -0.070 nan 8.240 nan 0.000 0.454 247 I N 3.277 123.866 120.570 0.031 0.000 2.362 247 I HA 0.368 4.537 4.170 -0.000 0.000 0.289 247 I C 0.169 176.232 176.117 -0.089 0.000 0.994 247 I CA -0.740 60.550 61.300 -0.018 0.000 1.158 247 I CB 1.687 39.671 38.000 -0.026 0.000 1.315 247 I HN 0.753 nan 8.210 nan 0.000 0.451 248 E N 6.484 126.609 120.200 -0.126 0.000 2.301 248 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 248 E C 0.644 176.973 176.600 -0.452 0.000 1.030 248 E CA -0.263 55.919 56.400 -0.364 0.000 0.852 248 E CB 0.807 30.285 29.700 -0.369 0.000 1.060 248 E HN 0.517 nan 8.360 nan 0.000 0.401 249 H N 1.835 120.750 119.070 -0.258 0.000 1.551 249 H HA -0.310 4.246 4.556 -0.000 0.000 0.090 249 H C 1.046 176.331 175.328 -0.072 0.000 0.602 249 H CA 1.634 57.577 56.048 -0.175 0.000 1.891 249 H CB -1.460 28.089 29.762 -0.355 0.000 2.242 249 H HN 0.873 nan 8.280 nan 0.000 0.959 250 G N 1.942 110.753 108.800 0.019 0.000 2.246 250 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.273 250 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.273 250 G C 0.641 175.674 174.900 0.222 0.000 1.055 250 G CA 1.098 46.281 45.100 0.138 0.000 0.851 250 G HN 0.631 nan 8.290 nan 0.000 0.500 251 N N -0.279 118.553 118.700 0.220 0.000 2.223 251 N HA -0.026 4.714 4.740 -0.000 0.000 0.185 251 N C 1.635 177.170 175.510 0.042 0.000 1.016 251 N CA 1.381 54.513 53.050 0.137 0.000 0.863 251 N CB -0.109 38.432 38.487 0.090 0.000 0.983 251 N HN 0.614 nan 8.380 nan 0.000 0.429 252 L N 0.729 121.988 121.223 0.060 0.000 3.096 252 L HA 0.338 4.677 4.340 -0.000 0.000 0.247 252 L C -0.382 176.475 176.870 -0.022 0.000 1.321 252 L CA -0.602 54.234 54.840 -0.006 0.000 1.044 252 L CB 0.000 42.055 42.059 -0.008 0.000 1.434 252 L HN -0.123 nan 8.230 nan 0.000 0.533 253 V N -2.378 117.499 119.914 -0.062 0.000 2.924 253 V HA 0.292 4.411 4.120 -0.000 0.000 0.305 253 V C 0.225 176.251 176.094 -0.114 0.000 1.073 253 V CA -0.687 61.556 62.300 -0.094 0.000 1.098 253 V CB 0.904 32.596 31.823 -0.218 0.000 1.000 253 V HN 0.403 nan 8.190 nan 0.000 0.484 254 D N 2.387 122.739 120.400 -0.079 0.000 2.442 254 D HA 0.197 4.836 4.640 -0.000 0.000 0.254 254 D C 0.770 177.026 176.300 -0.075 0.000 1.069 254 D CA -0.367 53.588 54.000 -0.075 0.000 1.017 254 D CB 1.715 42.488 40.800 -0.045 0.000 1.172 254 D HN 0.676 nan 8.370 nan 0.000 0.561 255 E N -0.016 120.146 120.200 -0.063 0.000 2.268 255 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 255 E C 1.565 178.152 176.600 -0.022 0.000 0.995 255 E CA 0.819 57.188 56.400 -0.052 0.000 0.836 255 E CB -0.269 29.401 29.700 -0.050 0.000 0.763 255 E HN 0.489 nan 8.360 nan 0.000 0.491 256 A N 1.546 124.358 122.820 -0.013 0.000 1.970 256 A HA 0.242 4.561 4.320 -0.000 0.000 0.216 256 A C 2.430 180.027 177.584 0.022 0.000 1.170 256 A CA 1.357 53.398 52.037 0.006 0.000 0.645 256 A CB -0.400 18.602 19.000 0.004 0.000 0.816 256 A HN 0.389 nan 8.150 nan 0.000 0.447 257 A N -0.024 122.804 122.820 0.015 0.000 1.897 257 A HA 0.256 4.575 4.320 -0.000 0.000 0.215 257 A C 2.456 180.080 177.584 0.066 0.000 1.181 257 A CA 1.753 53.809 52.037 0.032 0.000 0.620 257 A CB -0.894 18.119 19.000 0.022 0.000 0.821 257 A HN 0.934 nan 8.150 nan 0.000 0.443 258 A N -0.516 122.340 122.820 0.061 0.000 1.930 258 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 258 A C 2.130 179.790 177.584 0.127 0.000 1.175 258 A CA 1.716 53.827 52.037 0.124 0.000 0.627 258 A CB -0.375 18.664 19.000 0.066 0.000 0.815 258 A HN 0.453 nan 8.150 nan 0.000 0.443 259 K N -0.733 119.716 120.400 0.082 0.000 2.148 259 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 259 K C 1.818 178.514 176.600 0.161 0.000 1.050 259 K CA 1.193 57.538 56.287 0.096 0.000 0.942 259 K CB -0.205 32.319 32.500 0.041 0.000 0.724 259 K HN 0.380 nan 8.250 nan 0.000 0.446 260 L N 1.079 122.382 121.223 0.134 0.000 2.072 260 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 260 L C 2.164 179.164 176.870 0.217 0.000 1.079 260 L CA 1.443 56.387 54.840 0.173 0.000 0.752 260 L CB -0.210 41.912 42.059 0.106 0.000 0.906 260 L HN 0.179 nan 8.230 nan 0.000 0.436 261 M N -1.652 118.030 119.600 0.137 0.000 2.159 261 M HA -0.229 4.251 4.480 -0.000 0.000 0.263 261 M C 2.299 178.652 176.300 0.089 0.000 1.063 261 M CA 1.772 57.129 55.300 0.095 0.000 1.110 261 M CB -0.553 32.099 32.600 0.085 0.000 1.374 261 M HN 0.444 nan 8.290 nan 0.000 0.411 262 H N 0.515 119.606 119.070 0.034 0.000 2.319 262 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 262 H C 1.711 177.032 175.328 -0.010 0.000 1.092 262 H CA 2.198 58.244 56.048 -0.002 0.000 1.302 262 H CB 0.050 29.819 29.762 0.011 0.000 1.373 262 H HN 0.395 nan 8.280 nan 0.000 0.497 263 E N -1.230 118.969 120.200 -0.002 0.000 2.204 263 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 263 E C 1.548 178.029 176.600 -0.198 0.000 0.989 263 E CA 1.046 57.381 56.400 -0.109 0.000 0.824 263 E CB 0.067 29.762 29.700 -0.008 0.000 0.756 263 E HN 0.706 nan 8.360 nan 0.000 0.477 264 H N -1.122 117.884 119.070 -0.108 0.000 2.544 264 H HA 0.184 4.740 4.556 -0.000 0.000 0.269 264 H C 0.771 176.007 175.328 -0.152 0.000 0.970 264 H CA 0.727 56.715 56.048 -0.100 0.000 1.219 264 H CB 0.908 30.634 29.762 -0.059 0.000 1.421 264 H HN 0.217 nan 8.280 nan 0.000 0.555 265 G N 0.286 109.010 108.800 -0.127 0.000 2.341 265 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.278 265 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.278 265 G C -0.230 174.470 174.900 -0.335 0.000 1.111 265 G CA 0.130 45.072 45.100 -0.264 0.000 0.982 265 G HN 0.641 nan 8.290 nan 0.000 0.502 266 A N 0.482 123.134 122.820 -0.279 0.000 2.291 266 A HA 0.850 5.170 4.320 -0.000 0.000 0.311 266 A C 0.155 177.584 177.584 -0.258 0.000 1.224 266 A CA -0.748 51.155 52.037 -0.222 0.000 0.821 266 A CB 0.769 19.730 19.000 -0.065 0.000 1.172 266 A HN 0.640 nan 8.150 nan 0.000 0.494 267 F N 1.259 121.162 119.950 -0.078 0.000 2.480 267 F HA 0.437 4.964 4.527 -0.000 0.000 0.319 267 F C 0.688 176.397 175.800 -0.152 0.000 1.230 267 F CA 0.138 58.073 58.000 -0.109 0.000 1.285 267 F CB 0.723 39.653 39.000 -0.117 0.000 1.208 267 F HN 0.251 nan 8.300 nan 0.000 0.579 268 V N 1.456 121.360 119.914 -0.016 0.000 2.686 268 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 268 V C -1.013 174.977 176.094 -0.173 0.000 1.065 268 V CA -0.827 61.343 62.300 -0.218 0.000 0.894 268 V CB 2.148 33.564 31.823 -0.679 0.000 1.004 268 V HN 0.453 nan 8.190 nan 0.000 0.424 269 V N 7.184 127.001 119.914 -0.161 0.000 2.266 269 V HA 0.366 4.485 4.120 -0.000 0.000 0.271 269 V C -2.429 173.536 176.094 -0.216 0.000 1.032 269 V CA -1.758 60.448 62.300 -0.156 0.000 0.806 269 V CB 1.375 33.136 31.823 -0.102 0.000 1.052 269 V HN 0.707 nan 8.190 nan 0.000 0.449 270 P HA 0.325 nan 4.420 nan 0.000 0.277 270 P C 0.191 177.431 177.300 -0.101 0.000 1.240 270 P CA -0.113 62.948 63.100 -0.065 0.000 0.798 270 P CB 0.729 32.443 31.700 0.023 0.000 0.979 271 T N -1.372 113.197 114.554 0.024 0.000 3.630 271 T HA 0.305 4.655 4.350 -0.000 0.000 0.238 271 T C 0.908 175.644 174.700 0.059 0.000 1.195 271 T CA -0.441 61.635 62.100 -0.040 0.000 1.433 271 T CB -1.159 67.658 68.868 -0.086 0.000 0.940 271 T HN 0.079 nan 8.240 nan 0.000 0.641 272 L N 0.163 121.452 121.223 0.110 0.000 2.141 272 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 272 L C 2.704 179.664 176.870 0.149 0.000 1.094 272 L CA 0.560 55.556 54.840 0.260 0.000 0.763 272 L CB -0.636 41.512 42.059 0.149 0.000 0.908 272 L HN 0.411 nan 8.230 nan 0.000 0.437 273 V N -0.457 119.456 119.914 -0.002 0.000 2.490 273 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 273 V C 2.578 178.637 176.094 -0.058 0.000 1.061 273 V CA 2.494 64.785 62.300 -0.014 0.000 1.064 273 V CB -0.101 31.719 31.823 -0.006 0.000 0.670 273 V HN 0.526 nan 8.190 nan 0.000 0.461 274 T N -1.174 113.279 114.554 -0.169 0.000 2.915 274 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 274 T C 1.518 176.070 174.700 -0.247 0.000 1.071 274 T CA 1.806 63.763 62.100 -0.238 0.000 1.132 274 T CB -0.264 68.422 68.868 -0.304 0.000 0.878 274 T HN 0.715 nan 8.240 nan 0.000 0.479 275 Y N 1.227 121.540 120.300 0.021 0.000 2.337 275 Y HA 0.100 4.649 4.550 -0.000 0.000 0.293 275 Y C 2.290 178.171 175.900 -0.030 0.000 1.123 275 Y CA 0.544 58.645 58.100 0.001 0.000 1.201 275 Y CB -0.509 37.953 38.460 0.004 0.000 1.011 275 Y HN 0.233 nan 8.280 nan 0.000 0.545 276 D N 0.086 120.539 120.400 0.087 0.000 2.144 276 D HA -0.127 4.512 4.640 -0.000 0.000 0.200 276 D C 2.215 178.464 176.300 -0.086 0.000 0.978 276 D CA 1.444 55.439 54.000 -0.007 0.000 0.833 276 D CB -0.371 40.416 40.800 -0.022 0.000 0.961 276 D HN 0.317 nan 8.370 nan 0.000 0.470 277 A N -0.014 122.743 122.820 -0.104 0.000 1.968 277 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 277 A C 2.042 179.643 177.584 0.029 0.000 1.169 277 A CA 0.598 52.568 52.037 -0.111 0.000 0.638 277 A CB -0.446 18.483 19.000 -0.118 0.000 0.812 277 A HN 0.207 nan 8.150 nan 0.000 0.446 278 L N -1.010 120.221 121.223 0.013 0.000 2.509 278 L HA 0.044 4.383 4.340 -0.000 0.000 0.222 278 L C 2.757 179.618 176.870 -0.015 0.000 1.123 278 L CA 0.471 55.329 54.840 0.030 0.000 0.856 278 L CB -0.237 41.850 42.059 0.047 0.000 0.985 278 L HN 0.415 nan 8.230 nan 0.000 0.456 279 A N 0.515 123.309 122.820 -0.044 0.000 1.898 279 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 279 A C 2.248 179.732 177.584 -0.166 0.000 1.181 279 A CA 1.572 53.562 52.037 -0.079 0.000 0.620 279 A CB -0.086 18.874 19.000 -0.067 0.000 0.819 279 A HN 0.225 nan 8.150 nan 0.000 0.442 280 K N -1.178 119.040 120.400 -0.303 0.000 2.244 280 K HA 0.107 4.426 4.320 -0.000 0.000 0.200 280 K C 0.826 177.050 176.600 -0.626 0.000 1.052 280 K CA 1.038 56.995 56.287 -0.551 0.000 0.980 280 K CB 0.171 32.145 32.500 -0.877 0.000 0.838 280 K HN 0.621 nan 8.250 nan 0.000 0.481 281 H N -1.418 117.570 119.070 -0.136 0.000 2.512 281 H HA 0.310 4.866 4.556 -0.000 0.000 0.276 281 H C 1.174 176.417 175.328 -0.143 0.000 1.126 281 H CA 0.184 56.086 56.048 -0.242 0.000 1.060 281 H CB 0.720 30.329 29.762 -0.253 0.000 1.646 281 H HN 0.222 nan 8.280 nan 0.000 0.571 282 G N 1.179 109.969 108.800 -0.017 0.000 2.505 282 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 282 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 282 G C 1.723 176.630 174.900 0.012 0.000 1.237 282 G CA 0.915 46.030 45.100 0.024 0.000 0.802 282 G HN 0.408 nan 8.290 nan 0.000 0.549 283 A N 0.068 122.872 122.820 -0.027 0.000 2.119 283 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 283 A C 2.059 179.619 177.584 -0.041 0.000 1.153 283 A CA 1.782 53.804 52.037 -0.025 0.000 0.692 283 A CB -0.280 18.700 19.000 -0.033 0.000 0.799 283 A HN 0.523 nan 8.150 nan 0.000 0.458 284 E N -0.957 119.180 120.200 -0.104 0.000 2.046 284 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 284 E C 0.094 176.620 176.600 -0.124 0.000 0.982 284 E CA 0.774 57.058 56.400 -0.194 0.000 0.800 284 E CB -0.074 29.391 29.700 -0.391 0.000 0.756 284 E HN 0.533 nan 8.360 nan 0.000 0.449 285 F N 0.114 120.097 119.950 0.055 0.000 2.777 285 F HA 0.318 4.844 4.527 -0.000 0.000 0.291 285 F C 1.134 176.941 175.800 0.013 0.000 1.187 285 F CA 0.464 58.486 58.000 0.037 0.000 1.406 285 F CB 0.596 39.623 39.000 0.045 0.000 0.982 285 F HN 0.180 nan 8.300 nan 0.000 0.509 286 G N 0.497 109.389 108.800 0.154 0.000 2.132 286 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.228 286 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.228 286 G C 0.205 175.131 174.900 0.044 0.000 1.000 286 G CA 0.021 45.171 45.100 0.082 0.000 0.693 286 G HN 0.377 nan 8.290 nan 0.000 0.515 287 M N 0.729 120.356 119.600 0.045 0.000 2.367 287 M HA 0.589 5.069 4.480 -0.000 0.000 0.339 287 M C -2.063 174.243 176.300 0.009 0.000 1.177 287 M CA -2.115 53.195 55.300 0.017 0.000 1.068 287 M CB 1.376 33.992 32.600 0.027 0.000 1.602 287 M HN -0.074 nan 8.290 nan 0.000 0.457 288 P HA 0.181 nan 4.420 nan 0.000 0.271 288 P C -2.380 174.923 177.300 0.004 0.000 1.218 288 P CA -0.948 62.153 63.100 0.002 0.000 0.780 288 P CB 0.007 31.708 31.700 0.002 0.000 0.901 289 P HA -0.180 nan 4.420 nan 0.000 0.216 289 P C 1.338 178.638 177.300 0.000 0.000 1.150 289 P CA 1.502 64.600 63.100 -0.002 0.000 0.837 289 P CB -0.060 31.637 31.700 -0.004 0.000 0.786 290 E N -0.427 119.776 120.200 0.005 0.000 2.077 290 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 290 E C 1.857 178.465 176.600 0.013 0.000 0.989 290 E CA 1.333 57.738 56.400 0.008 0.000 0.800 290 E CB -1.417 28.292 29.700 0.014 0.000 0.746 290 E HN 0.194 nan 8.360 nan 0.000 0.452 291 S N 1.189 116.902 115.700 0.021 0.000 2.382 291 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 291 S C 2.252 176.868 174.600 0.026 0.000 1.027 291 S CA 1.319 59.539 58.200 0.034 0.000 0.991 291 S CB -0.281 62.943 63.200 0.039 0.000 0.823 291 S HN 0.176 nan 8.310 nan 0.000 0.469 292 V N 1.718 121.641 119.914 0.014 0.000 2.970 292 V HA -0.018 4.102 4.120 -0.000 0.000 0.260 292 V C 2.415 178.505 176.094 -0.007 0.000 1.100 292 V CA 1.158 63.461 62.300 0.005 0.000 1.122 292 V CB -1.364 30.455 31.823 -0.006 0.000 0.721 292 V HN 0.498 nan 8.190 nan 0.000 0.483 293 A N 0.065 122.879 122.820 -0.009 0.000 1.929 293 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 293 A C 2.241 179.808 177.584 -0.028 0.000 1.176 293 A CA 1.320 53.346 52.037 -0.019 0.000 0.628 293 A CB -0.290 18.701 19.000 -0.015 0.000 0.816 293 A HN 0.491 nan 8.150 nan 0.000 0.444 294 K N -0.686 119.701 120.400 -0.021 0.000 2.444 294 K HA 0.173 4.493 4.320 -0.000 0.000 0.193 294 K C 1.164 177.729 176.600 -0.057 0.000 1.024 294 K CA 0.274 56.535 56.287 -0.043 0.000 1.077 294 K CB 0.292 32.778 32.500 -0.024 0.000 0.833 294 K HN 0.269 nan 8.250 nan 0.000 0.517 295 V N 0.167 120.070 119.914 -0.018 0.000 3.590 295 V HA 0.055 4.175 4.120 -0.000 0.000 0.265 295 V C 1.735 177.810 176.094 -0.033 0.000 1.239 295 V CA 0.894 63.204 62.300 0.017 0.000 1.117 295 V CB 0.370 32.245 31.823 0.086 0.000 0.818 295 V HN 0.265 nan 8.190 nan 0.000 0.451 296 A N 0.408 123.195 122.820 -0.055 0.000 1.897 296 A HA -0.128 4.191 4.320 -0.000 0.000 0.215 296 A C 2.498 180.021 177.584 -0.102 0.000 1.181 296 A CA 2.006 54.003 52.037 -0.066 0.000 0.620 296 A CB -0.629 18.338 19.000 -0.055 0.000 0.821 296 A HN 0.718 nan 8.150 nan 0.000 0.443 297 S N 0.310 115.933 115.700 -0.127 0.000 2.371 297 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 297 S C 1.776 176.253 174.600 -0.205 0.000 1.029 297 S CA 1.459 59.570 58.200 -0.148 0.000 0.978 297 S CB -1.269 61.844 63.200 -0.145 0.000 0.833 297 S HN 0.899 nan 8.310 nan 0.000 0.466 298 V N 1.430 121.163 119.914 -0.302 0.000 2.719 298 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 298 V C 2.596 178.424 176.094 -0.444 0.000 1.065 298 V CA 1.278 63.322 62.300 -0.428 0.000 1.086 298 V CB -1.592 29.823 31.823 -0.680 0.000 0.700 298 V HN 0.710 nan 8.190 nan 0.000 0.467 299 Q N -0.031 119.547 119.800 -0.371 0.000 2.378 299 Q HA -0.106 4.234 4.340 -0.000 0.000 0.205 299 Q C 2.036 177.955 176.000 -0.135 0.000 0.954 299 Q CA 1.029 56.681 55.803 -0.252 0.000 0.901 299 Q CB -0.348 28.332 28.738 -0.097 0.000 0.981 299 Q HN 0.618 nan 8.270 nan 0.000 0.483 300 Q N 1.554 121.276 119.800 -0.129 0.000 1.942 300 Q HA -0.113 4.226 4.340 -0.000 0.000 0.203 300 Q C 1.551 177.504 176.000 -0.078 0.000 0.987 300 Q CA 1.524 57.275 55.803 -0.087 0.000 0.844 300 Q CB -0.297 28.390 28.738 -0.085 0.000 0.911 300 Q HN 0.272 nan 8.270 nan 0.000 0.423 301 K N 0.607 120.951 120.400 -0.092 0.000 2.525 301 K HA 0.036 4.356 4.320 -0.000 0.000 0.192 301 K C 1.737 178.298 176.600 -0.065 0.000 1.029 301 K CA 0.517 56.758 56.287 -0.077 0.000 1.029 301 K CB -0.498 31.953 32.500 -0.081 0.000 0.814 301 K HN 0.376 nan 8.250 nan 0.000 0.503 302 G N 0.523 109.279 108.800 -0.073 0.000 2.418 302 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 302 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 302 G C 1.458 176.367 174.900 0.015 0.000 1.158 302 G CA 0.487 45.567 45.100 -0.034 0.000 0.771 302 G HN 0.272 nan 8.290 nan 0.000 0.545 303 R N -0.104 120.398 120.500 0.005 0.000 2.119 303 R HA 0.109 4.449 4.340 -0.000 0.000 0.222 303 R C 2.404 178.707 176.300 0.005 0.000 1.088 303 R CA 0.868 56.979 56.100 0.018 0.000 0.984 303 R CB -0.207 30.101 30.300 0.014 0.000 0.884 303 R HN 0.467 nan 8.270 nan 0.000 0.447 304 E N 0.931 121.119 120.200 -0.019 0.000 2.110 304 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 304 E C 1.763 178.324 176.600 -0.065 0.000 0.988 304 E CA 1.664 58.041 56.400 -0.038 0.000 0.804 304 E CB 0.121 29.791 29.700 -0.050 0.000 0.745 304 E HN 0.313 nan 8.360 nan 0.000 0.458 305 S N 0.269 115.923 115.700 -0.078 0.000 2.399 305 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 305 S C 1.953 176.462 174.600 -0.152 0.000 1.022 305 S CA 0.740 58.830 58.200 -0.184 0.000 0.983 305 S CB -0.359 62.763 63.200 -0.129 0.000 0.803 305 S HN 0.176 nan 8.310 nan 0.000 0.480 306 L N 2.073 123.329 121.223 0.055 0.000 2.079 306 L HA -0.061 4.278 4.340 -0.000 0.000 0.210 306 L C 2.644 179.570 176.870 0.094 0.000 1.081 306 L CA 1.738 56.672 54.840 0.157 0.000 0.752 306 L CB -0.901 41.226 42.059 0.114 0.000 0.896 306 L HN 0.419 nan 8.230 nan 0.000 0.433 307 E N -0.836 119.373 120.200 0.016 0.000 2.107 307 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 307 E C 2.271 178.852 176.600 -0.031 0.000 0.982 307 E CA 1.061 57.462 56.400 0.000 0.000 0.809 307 E CB -0.104 29.587 29.700 -0.015 0.000 0.756 307 E HN 0.482 nan 8.360 nan 0.000 0.459 308 I N 0.271 120.772 120.570 -0.115 0.000 2.315 308 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 308 I C 1.916 177.952 176.117 -0.135 0.000 1.117 308 I CA 1.032 62.227 61.300 -0.176 0.000 1.404 308 I CB -0.354 37.465 38.000 -0.303 0.000 1.071 308 I HN 0.089 nan 8.210 nan 0.000 0.419 309 Y N 1.231 121.532 120.300 0.003 0.000 2.163 309 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 309 Y C 2.760 178.666 175.900 0.009 0.000 1.136 309 Y CA 0.992 59.099 58.100 0.010 0.000 1.147 309 Y CB -1.085 37.387 38.460 0.019 0.000 0.987 309 Y HN 0.091 nan 8.280 nan 0.000 0.509 310 A N 0.304 123.223 122.820 0.166 0.000 1.902 310 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 310 A C 2.112 179.723 177.584 0.045 0.000 1.181 310 A CA 1.844 53.938 52.037 0.095 0.000 0.623 310 A CB -0.693 18.353 19.000 0.076 0.000 0.818 310 A HN 0.419 nan 8.150 nan 0.000 0.443 311 N N 0.500 119.210 118.700 0.018 0.000 2.120 311 N HA -0.090 4.649 4.740 -0.000 0.000 0.188 311 N C 1.729 177.211 175.510 -0.047 0.000 1.024 311 N CA 1.682 54.722 53.050 -0.018 0.000 0.852 311 N CB -0.537 37.932 38.487 -0.030 0.000 1.003 311 N HN 0.459 nan 8.380 nan 0.000 0.424 312 A N -0.210 122.589 122.820 -0.036 0.000 2.167 312 A HA 0.341 4.661 4.320 -0.000 0.000 0.214 312 A C 1.234 178.743 177.584 -0.125 0.000 1.151 312 A CA 0.898 52.881 52.037 -0.089 0.000 0.735 312 A CB -0.449 18.544 19.000 -0.013 0.000 0.802 312 A HN 0.346 nan 8.150 nan 0.000 0.467 313 G N -0.780 108.021 108.800 0.002 0.000 2.291 313 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.271 313 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.271 313 G C -0.146 174.854 174.900 0.166 0.000 1.099 313 G CA 0.072 45.214 45.100 0.071 0.000 0.919 313 G HN 0.774 nan 8.290 nan 0.000 0.496 314 V N 0.342 120.344 119.914 0.146 0.000 2.406 314 V HA 0.329 4.449 4.120 -0.000 0.000 0.272 314 V C 0.929 177.049 176.094 0.044 0.000 1.043 314 V CA -0.611 61.743 62.300 0.090 0.000 0.915 314 V CB 1.401 33.288 31.823 0.107 0.000 0.988 314 V HN 0.432 nan 8.190 nan 0.000 0.466 315 K N 5.306 125.716 120.400 0.017 0.000 2.447 315 K HA 0.268 4.588 4.320 -0.000 0.000 0.281 315 K C -0.267 176.412 176.600 0.133 0.000 1.031 315 K CA 0.640 56.992 56.287 0.109 0.000 1.019 315 K CB 0.241 32.863 32.500 0.204 0.000 0.918 315 K HN 0.574 nan 8.250 nan 0.000 0.476 316 M N 2.302 121.952 119.600 0.083 0.000 2.149 316 M HA 0.290 4.770 4.480 -0.000 0.000 0.342 316 M C 0.408 176.733 176.300 0.041 0.000 1.068 316 M CA -0.491 54.818 55.300 0.016 0.000 0.991 316 M CB 1.919 34.517 32.600 -0.004 0.000 1.596 316 M HN 0.722 nan 8.290 nan 0.000 0.439 317 G N 1.963 110.767 108.800 0.008 0.000 2.437 317 G HA2 0.523 4.483 3.960 -0.000 0.000 0.319 317 G HA3 0.523 4.483 3.960 -0.000 0.000 0.319 317 G C -1.319 173.608 174.900 0.045 0.000 1.158 317 G CA -0.507 44.606 45.100 0.021 0.000 0.899 317 G HN 0.604 nan 8.290 nan 0.000 0.502 318 F N 0.715 120.632 119.950 -0.055 0.000 2.471 318 F HA 0.522 5.049 4.527 -0.000 0.000 0.353 318 F C 0.677 176.450 175.800 -0.045 0.000 1.113 318 F CA 0.685 58.636 58.000 -0.083 0.000 1.262 318 F CB 1.128 40.068 39.000 -0.099 0.000 1.146 318 F HN 0.565 nan 8.300 nan 0.000 0.578 319 G N 2.829 111.336 108.800 -0.489 0.000 2.760 319 G HA2 0.394 4.354 3.960 -0.000 0.000 0.296 319 G HA3 0.394 4.354 3.960 -0.000 0.000 0.296 319 G C -0.627 174.050 174.900 -0.372 0.000 1.427 319 G CA -0.121 44.833 45.100 -0.245 0.000 1.109 319 G HN 0.799 nan 8.290 nan 0.000 0.553 320 S N 1.204 116.806 115.700 -0.163 0.000 2.438 320 S HA 0.201 4.671 4.470 -0.000 0.000 0.220 320 S C 0.866 175.443 174.600 -0.038 0.000 1.045 320 S CA 1.121 59.251 58.200 -0.117 0.000 0.940 320 S CB -0.001 63.191 63.200 -0.013 0.000 0.863 320 S HN 1.044 nan 8.310 nan 0.000 0.539 321 D N 0.544 120.983 120.400 0.064 0.000 2.746 321 D HA -0.110 4.530 4.640 -0.000 0.000 0.236 321 D C -0.804 175.536 176.300 0.068 0.000 1.129 321 D CA 0.294 54.394 54.000 0.167 0.000 0.691 321 D CB -1.987 38.948 40.800 0.225 0.000 1.077 321 D HN 0.511 nan 8.370 nan 0.000 0.432 322 L N -0.333 120.871 121.223 -0.031 0.000 2.399 322 L HA 0.654 4.993 4.340 -0.000 0.000 0.265 322 L C 0.588 177.145 176.870 -0.521 0.000 1.089 322 L CA -0.768 53.930 54.840 -0.237 0.000 0.802 322 L CB 1.013 42.932 42.059 -0.233 0.000 1.180 322 L HN 0.038 nan 8.230 nan 0.000 0.454 323 L N 0.726 121.700 121.223 -0.415 0.000 2.401 323 L HA 0.802 5.142 4.340 -0.000 0.000 0.266 323 L C 0.512 177.254 176.870 -0.213 0.000 0.991 323 L CA -0.574 54.097 54.840 -0.282 0.000 0.818 323 L CB 1.674 43.676 42.059 -0.095 0.000 1.321 323 L HN 0.806 nan 8.230 nan 0.000 0.413 324 G N 1.558 110.312 108.800 -0.078 0.000 2.552 324 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.265 324 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.265 324 G C 0.532 175.381 174.900 -0.084 0.000 1.234 324 G CA 0.376 45.431 45.100 -0.075 0.000 0.944 324 G HN 0.906 nan 8.290 nan 0.000 0.568 325 E N 0.340 120.365 120.200 -0.292 0.000 2.511 325 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 325 E C 2.245 178.720 176.600 -0.208 0.000 1.066 325 E CA 0.946 57.165 56.400 -0.302 0.000 0.871 325 E CB -0.138 29.268 29.700 -0.491 0.000 0.863 325 E HN 0.653 nan 8.360 nan 0.000 0.520 326 M N 0.162 119.703 119.600 -0.099 0.000 2.659 326 M HA 0.020 4.500 4.480 -0.000 0.000 0.243 326 M C 1.118 177.491 176.300 0.122 0.000 1.111 326 M CA 0.571 55.975 55.300 0.174 0.000 1.070 326 M CB -0.340 32.380 32.600 0.199 0.000 1.525 326 M HN 0.170 nan 8.290 nan 0.000 0.517 327 H N -0.318 118.764 119.070 0.020 0.000 2.518 327 H HA -0.026 4.530 4.556 -0.000 0.000 0.289 327 H C 2.070 177.374 175.328 -0.040 0.000 1.051 327 H CA 1.069 57.117 56.048 -0.000 0.000 1.280 327 H CB 0.218 29.959 29.762 -0.035 0.000 1.380 327 H HN 0.452 nan 8.280 nan 0.000 0.566 328 A N 0.133 122.921 122.820 -0.053 0.000 2.015 328 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 328 A C 1.300 178.746 177.584 -0.229 0.000 1.163 328 A CA 0.788 52.692 52.037 -0.220 0.000 0.646 328 A CB -0.567 18.168 19.000 -0.443 0.000 0.806 328 A HN 0.370 nan 8.150 nan 0.000 0.448 329 F N 0.075 120.073 119.950 0.080 0.000 2.725 329 F HA 0.070 4.597 4.527 -0.000 0.000 0.303 329 F C 2.082 177.955 175.800 0.122 0.000 1.167 329 F CA 0.526 58.583 58.000 0.095 0.000 1.403 329 F CB -0.213 38.833 39.000 0.076 0.000 1.077 329 F HN 0.357 nan 8.300 nan 0.000 0.537 330 Q N 0.362 120.310 119.800 0.247 0.000 2.096 330 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 330 Q C 2.044 178.288 176.000 0.408 0.000 0.982 330 Q CA 2.127 58.076 55.803 0.242 0.000 0.850 330 Q CB -0.026 28.788 28.738 0.128 0.000 0.901 330 Q HN 0.329 nan 8.270 nan 0.000 0.422 331 S N -0.318 115.658 115.700 0.460 0.000 2.453 331 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 331 S C 1.697 176.600 174.600 0.506 0.000 1.005 331 S CA 0.628 59.186 58.200 0.596 0.000 0.949 331 S CB -0.129 63.330 63.200 0.432 0.000 0.774 331 S HN 0.643 nan 8.310 nan 0.000 0.510 332 G N 1.550 110.563 108.800 0.356 0.000 2.479 332 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 332 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 332 G C 1.216 176.239 174.900 0.206 0.000 1.115 332 G CA 1.013 46.278 45.100 0.274 0.000 0.757 332 G HN 0.535 nan 8.290 nan 0.000 0.560 333 E N 0.056 120.347 120.200 0.151 0.000 2.153 333 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 333 E C 1.887 178.509 176.600 0.037 0.000 0.988 333 E CA 0.626 56.985 56.400 -0.068 0.000 0.811 333 E CB -0.374 29.015 29.700 -0.519 0.000 0.746 333 E HN 0.434 nan 8.360 nan 0.000 0.466 334 F N 0.514 120.649 119.950 0.308 0.000 2.126 334 F HA -0.089 4.438 4.527 -0.001 0.000 0.299 334 F C 2.581 178.449 175.800 0.114 0.000 1.096 334 F CA 1.534 59.673 58.000 0.231 0.000 1.255 334 F CB -0.350 38.707 39.000 0.095 0.000 0.997 334 F HN 0.013 nan 8.300 nan 0.000 0.479 335 R N 0.531 121.206 120.500 0.292 0.000 2.062 335 R HA -0.126 4.213 4.340 -0.000 0.000 0.231 335 R C 2.312 178.689 176.300 0.128 0.000 1.136 335 R CA 1.633 57.839 56.100 0.178 0.000 0.948 335 R CB -0.578 29.814 30.300 0.152 0.000 0.845 335 R HN 0.255 nan 8.270 nan 0.000 0.430 336 I N 0.480 121.115 120.570 0.108 0.000 2.194 336 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 336 I C 2.474 178.630 176.117 0.065 0.000 1.093 336 I CA 1.469 62.811 61.300 0.071 0.000 1.355 336 I CB -0.265 37.764 38.000 0.048 0.000 1.046 336 I HN 0.205 nan 8.210 nan 0.000 0.413 337 R N 0.533 121.077 120.500 0.073 0.000 2.093 337 R HA 0.034 4.374 4.340 -0.000 0.000 0.224 337 R C 2.407 178.762 176.300 0.091 0.000 1.101 337 R CA 1.178 57.321 56.100 0.071 0.000 0.979 337 R CB -0.313 30.024 30.300 0.061 0.000 0.877 337 R HN 0.329 nan 8.270 nan 0.000 0.441 338 A N 1.367 124.256 122.820 0.114 0.000 2.067 338 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 338 A C 1.752 179.380 177.584 0.073 0.000 1.158 338 A CA 1.076 53.174 52.037 0.100 0.000 0.661 338 A CB -0.207 18.860 19.000 0.112 0.000 0.801 338 A HN 0.292 nan 8.150 nan 0.000 0.452 339 E N -0.631 119.610 120.200 0.069 0.000 2.268 339 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 339 E C 1.439 178.066 176.600 0.045 0.000 0.995 339 E CA 1.249 57.681 56.400 0.053 0.000 0.836 339 E CB 0.033 29.763 29.700 0.051 0.000 0.763 339 E HN 0.498 nan 8.360 nan 0.000 0.491 340 V N -0.349 119.595 119.914 0.049 0.000 3.307 340 V HA 0.023 4.143 4.120 -0.000 0.000 0.244 340 V C 1.543 177.665 176.094 0.046 0.000 1.196 340 V CA 0.525 62.851 62.300 0.043 0.000 1.132 340 V CB 0.325 32.174 31.823 0.043 0.000 0.875 340 V HN 0.148 nan 8.190 nan 0.000 0.468 341 L N 0.010 121.267 121.223 0.056 0.000 2.749 341 L HA 0.688 5.028 4.340 -0.000 0.000 0.242 341 L C 0.983 177.888 176.870 0.058 0.000 1.103 341 L CA 0.666 55.541 54.840 0.059 0.000 0.906 341 L CB 0.552 42.653 42.059 0.071 0.000 1.228 341 L HN 0.440 nan 8.230 nan 0.000 0.517 342 G N 0.532 109.368 108.800 0.059 0.000 2.675 342 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 342 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 342 G C -0.197 174.744 174.900 0.069 0.000 1.215 342 G CA -0.246 44.888 45.100 0.056 0.000 0.777 342 G HN 0.073 nan 8.290 nan 0.000 0.638 343 N N -0.376 118.361 118.700 0.062 0.000 2.104 343 N HA -0.096 4.643 4.740 -0.000 0.000 0.190 343 N C 2.476 178.031 175.510 0.075 0.000 1.024 343 N CA 1.492 54.583 53.050 0.068 0.000 0.853 343 N CB -0.146 38.365 38.487 0.041 0.000 1.008 343 N HN 0.547 nan 8.380 nan 0.000 0.424 344 L N 0.574 121.833 121.223 0.060 0.000 2.017 344 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 344 L C 2.061 178.980 176.870 0.081 0.000 1.073 344 L CA 1.602 56.478 54.840 0.059 0.000 0.745 344 L CB -0.188 41.898 42.059 0.045 0.000 0.894 344 L HN 0.125 nan 8.230 nan 0.000 0.432 345 E N -0.154 120.096 120.200 0.083 0.000 2.110 345 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 345 E C 2.015 178.689 176.600 0.124 0.000 0.988 345 E CA 1.345 57.801 56.400 0.093 0.000 0.804 345 E CB -0.130 29.619 29.700 0.081 0.000 0.745 345 E HN 0.533 nan 8.360 nan 0.000 0.458 346 A N 0.046 122.954 122.820 0.147 0.000 1.969 346 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 346 A C 2.107 179.878 177.584 0.312 0.000 1.169 346 A CA 0.976 53.145 52.037 0.221 0.000 0.635 346 A CB -0.435 18.711 19.000 0.243 0.000 0.810 346 A HN 0.275 nan 8.150 nan 0.000 0.445 347 L N -1.476 119.884 121.223 0.229 0.000 2.179 347 L HA -0.042 4.297 4.340 -0.000 0.000 0.208 347 L C 2.703 179.680 176.870 0.179 0.000 1.096 347 L CA 0.679 55.647 54.840 0.214 0.000 0.779 347 L CB -0.465 41.654 42.059 0.101 0.000 0.922 347 L HN 0.359 nan 8.230 nan 0.000 0.443 348 R N -0.450 120.132 120.500 0.138 0.000 2.152 348 R HA -0.094 4.245 4.340 -0.000 0.000 0.232 348 R C 2.437 178.808 176.300 0.119 0.000 1.117 348 R CA 1.068 57.234 56.100 0.110 0.000 0.981 348 R CB -0.196 30.158 30.300 0.090 0.000 0.870 348 R HN 0.235 nan 8.270 nan 0.000 0.451 349 S N 0.477 116.267 115.700 0.151 0.000 2.383 349 S HA -0.131 4.338 4.470 -0.000 0.000 0.229 349 S C 1.664 176.369 174.600 0.175 0.000 1.030 349 S CA 1.525 59.826 58.200 0.168 0.000 1.002 349 S CB 0.067 63.401 63.200 0.223 0.000 0.829 349 S HN 0.480 nan 8.310 nan 0.000 0.467 350 A N 0.248 123.145 122.820 0.129 0.000 2.430 350 A HA 0.326 4.646 4.320 -0.000 0.000 0.243 350 A C 1.575 179.230 177.584 0.117 0.000 1.254 350 A CA 0.687 52.757 52.037 0.054 0.000 0.914 350 A CB -0.085 18.761 19.000 -0.257 0.000 0.998 350 A HN 0.559 nan 8.150 nan 0.000 0.515 351 T N -4.239 110.381 114.554 0.109 0.000 3.426 351 T HA 0.027 4.376 4.350 -0.000 0.000 0.195 351 T C 1.899 176.626 174.700 0.046 0.000 0.963 351 T CA 1.221 63.371 62.100 0.082 0.000 1.154 351 T CB -0.913 68.008 68.868 0.089 0.000 1.377 351 T HN 0.217 nan 8.240 nan 0.000 0.342 352 T N 1.517 116.099 114.554 0.047 0.000 2.737 352 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 352 T C 2.101 176.811 174.700 0.016 0.000 1.038 352 T CA 1.410 63.528 62.100 0.031 0.000 1.144 352 T CB -1.130 67.762 68.868 0.039 0.000 0.866 352 T HN 0.199 nan 8.240 nan 0.000 0.434 353 V N 2.352 122.283 119.914 0.029 0.000 2.358 353 V HA -0.009 4.111 4.120 -0.000 0.000 0.246 353 V C 3.254 179.281 176.094 -0.112 0.000 1.047 353 V CA 1.399 63.704 62.300 0.008 0.000 1.035 353 V CB -1.503 30.358 31.823 0.064 0.000 0.658 353 V HN 0.648 nan 8.190 nan 0.000 0.452 354 A N 0.384 123.166 122.820 -0.063 0.000 1.908 354 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 354 A C 2.416 179.904 177.584 -0.159 0.000 1.181 354 A CA 2.234 54.215 52.037 -0.094 0.000 0.627 354 A CB -0.837 18.174 19.000 0.018 0.000 0.818 354 A HN 0.584 nan 8.150 nan 0.000 0.445 355 A N -0.788 121.971 122.820 -0.103 0.000 1.969 355 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 355 A C 1.979 179.461 177.584 -0.169 0.000 1.169 355 A CA 1.682 53.652 52.037 -0.112 0.000 0.635 355 A CB -0.441 18.534 19.000 -0.042 0.000 0.810 355 A HN 0.668 nan 8.150 nan 0.000 0.445 356 E N -0.344 119.745 120.200 -0.185 0.000 2.152 356 E HA -0.085 4.264 4.350 -0.000 0.000 0.192 356 E C 1.751 178.072 176.600 -0.464 0.000 0.983 356 E CA 0.690 56.965 56.400 -0.208 0.000 0.818 356 E CB -0.138 29.518 29.700 -0.074 0.000 0.758 356 E HN 0.699 nan 8.360 nan 0.000 0.467 357 I N 0.658 120.815 120.570 -0.689 0.000 2.252 357 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 357 I C 2.051 177.809 176.117 -0.598 0.000 1.102 357 I CA 0.812 61.574 61.300 -0.897 0.000 1.385 357 I CB 0.047 37.590 38.000 -0.763 0.000 1.064 357 I HN 0.107 nan 8.210 nan 0.000 0.414 358 V N -1.850 117.801 119.914 -0.439 0.000 3.563 358 V HA 0.217 4.337 4.120 -0.000 0.000 0.299 358 V C 0.332 176.235 176.094 -0.318 0.000 1.290 358 V CA -0.011 62.019 62.300 -0.449 0.000 1.201 358 V CB -1.604 29.676 31.823 -0.905 0.000 1.045 358 V HN 0.577 nan 8.190 nan 0.000 0.425 359 N N 0.863 119.420 118.700 -0.239 0.000 2.727 359 N HA -0.170 4.569 4.740 -0.000 0.000 0.249 359 N C 0.314 175.787 175.510 -0.062 0.000 1.048 359 N CA 1.137 54.118 53.050 -0.115 0.000 0.714 359 N CB -0.605 37.855 38.487 -0.044 0.000 0.959 359 N HN 0.498 nan 8.380 nan 0.000 0.544 360 M N 0.185 119.736 119.600 -0.082 0.000 2.785 360 M HA 0.069 4.549 4.480 -0.000 0.000 0.374 360 M C 0.104 176.396 176.300 -0.015 0.000 1.221 360 M CA -0.044 55.245 55.300 -0.017 0.000 0.912 360 M CB 0.218 32.826 32.600 0.013 0.000 1.355 360 M HN 0.172 nan 8.290 nan 0.000 0.513 361 Q N 0.612 120.397 119.800 -0.024 0.000 2.255 361 Q HA 0.322 4.661 4.340 -0.000 0.000 0.280 361 Q C 0.765 176.768 176.000 0.006 0.000 1.068 361 Q CA 1.085 56.882 55.803 -0.010 0.000 0.911 361 Q CB 0.090 28.824 28.738 -0.006 0.000 1.157 361 Q HN 0.677 nan 8.270 nan 0.000 0.380 362 G N 2.437 111.242 108.800 0.009 0.000 2.143 362 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.249 362 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.249 362 G C 0.485 175.395 174.900 0.017 0.000 0.981 362 G CA 0.609 45.717 45.100 0.013 0.000 0.665 362 G HN 0.579 nan 8.290 nan 0.000 0.528 363 Q N -1.324 118.488 119.800 0.021 0.000 2.534 363 Q HA 0.625 4.965 4.340 -0.000 0.000 0.252 363 Q C 1.012 177.032 176.000 0.033 0.000 0.850 363 Q CA 0.565 56.386 55.803 0.030 0.000 0.974 363 Q CB 0.511 29.276 28.738 0.044 0.000 1.205 363 Q HN 0.547 nan 8.270 nan 0.000 0.593 364 L N -1.802 119.441 121.223 0.033 0.000 2.279 364 L HA 0.632 4.972 4.340 -0.000 0.000 0.262 364 L C 0.438 177.318 176.870 0.018 0.000 1.019 364 L CA -0.243 54.617 54.840 0.033 0.000 0.823 364 L CB 2.126 44.223 42.059 0.062 0.000 1.358 364 L HN 0.332 nan 8.230 nan 0.000 0.432 365 G N 0.608 109.418 108.800 0.016 0.000 2.168 365 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 365 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 365 G C -0.466 174.441 174.900 0.012 0.000 0.997 365 G CA 0.445 45.555 45.100 0.016 0.000 0.708 365 G HN 0.645 nan 8.290 nan 0.000 0.520 366 V N 0.341 120.258 119.914 0.004 0.000 2.737 366 V HA 0.560 4.679 4.120 -0.000 0.000 0.298 366 V C -0.213 175.879 176.094 -0.003 0.000 1.163 366 V CA -1.110 61.191 62.300 0.002 0.000 0.925 366 V CB 1.402 33.230 31.823 0.007 0.000 1.037 366 V HN 0.349 nan 8.190 nan 0.000 0.433 367 I N 7.070 127.634 120.570 -0.009 0.000 2.329 367 I HA 0.638 4.808 4.170 -0.000 0.000 0.295 367 I C 0.542 176.660 176.117 0.001 0.000 1.109 367 I CA 0.624 61.919 61.300 -0.009 0.000 1.297 367 I CB 0.616 38.606 38.000 -0.018 0.000 1.433 367 I HN 0.834 nan 8.210 nan 0.000 0.509 368 A N 5.358 128.182 122.820 0.006 0.000 2.594 368 A HA 0.646 4.965 4.320 -0.000 0.000 0.291 368 A C -0.755 176.837 177.584 0.014 0.000 1.105 368 A CA -0.572 51.473 52.037 0.013 0.000 0.694 368 A CB 1.372 20.380 19.000 0.012 0.000 1.291 368 A HN 0.208 nan 8.150 nan 0.000 0.410 369 V N 1.537 121.461 119.914 0.017 0.000 2.458 369 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 369 V C 1.481 177.583 176.094 0.013 0.000 1.009 369 V CA 1.975 64.284 62.300 0.016 0.000 1.091 369 V CB -0.030 31.803 31.823 0.017 0.000 0.960 369 V HN 2.240 nan 8.190 nan 0.000 0.476 370 G N 3.677 112.484 108.800 0.011 0.000 2.201 370 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.212 370 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.212 370 G C 0.307 175.215 174.900 0.012 0.000 0.994 370 G CA 0.113 45.220 45.100 0.011 0.000 0.644 370 G HN 1.353 nan 8.290 nan 0.000 0.508 371 A N 0.010 122.837 122.820 0.012 0.000 2.264 371 A HA 0.823 5.143 4.320 -0.000 0.000 0.304 371 A C 0.547 178.137 177.584 0.010 0.000 1.100 371 A CA -0.513 51.532 52.037 0.013 0.000 0.839 371 A CB 0.504 19.511 19.000 0.011 0.000 1.121 371 A HN 0.763 nan 8.150 nan 0.000 0.496 372 I N 0.898 121.476 120.570 0.013 0.000 2.588 372 I HA 0.209 4.379 4.170 -0.000 0.000 0.283 372 I C 1.050 177.167 176.117 -0.001 0.000 1.119 372 I CA 0.110 61.415 61.300 0.009 0.000 1.419 372 I CB 1.103 39.115 38.000 0.019 0.000 1.394 372 I HN 0.641 nan 8.210 nan 0.000 0.562 373 A N 5.157 127.972 122.820 -0.009 0.000 3.037 373 A HA 0.193 4.513 4.320 -0.000 0.000 0.272 373 A C -0.528 177.039 177.584 -0.028 0.000 1.723 373 A CA -0.280 51.746 52.037 -0.019 0.000 1.413 373 A CB -0.874 18.115 19.000 -0.019 0.000 1.112 373 A HN 0.623 nan 8.150 nan 0.000 0.606 374 D N 1.457 121.837 120.400 -0.033 0.000 2.460 374 D HA 0.568 5.208 4.640 -0.000 0.000 0.232 374 D C -0.552 175.695 176.300 -0.088 0.000 1.079 374 D CA 0.332 54.302 54.000 -0.051 0.000 0.864 374 D CB 1.026 41.806 40.800 -0.032 0.000 1.048 374 D HN 0.383 nan 8.370 nan 0.000 0.523 375 L N 1.273 122.433 121.223 -0.105 0.000 2.370 375 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 375 L C -0.526 176.234 176.870 -0.182 0.000 1.002 375 L CA -1.179 53.584 54.840 -0.129 0.000 0.818 375 L CB 2.394 44.404 42.059 -0.083 0.000 1.325 375 L HN -0.055 nan 8.230 nan 0.000 0.418 376 V N 2.858 122.626 119.914 -0.242 0.000 2.417 376 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 376 V C -0.376 175.636 176.094 -0.136 0.000 1.024 376 V CA -0.601 61.534 62.300 -0.275 0.000 0.861 376 V CB 2.250 33.728 31.823 -0.576 0.000 0.985 376 V HN 0.422 nan 8.190 nan 0.000 0.436 377 V N 6.636 126.519 119.914 -0.052 0.000 2.384 377 V HA 0.514 4.634 4.120 -0.000 0.000 0.287 377 V C -0.615 175.485 176.094 0.009 0.000 1.020 377 V CA -0.539 61.770 62.300 0.016 0.000 0.850 377 V CB 1.584 33.488 31.823 0.134 0.000 0.987 377 V HN 0.566 nan 8.190 nan 0.000 0.436 378 L N 4.199 125.418 121.223 -0.007 0.000 2.381 378 L HA 0.546 4.885 4.340 -0.000 0.000 0.274 378 L C -0.319 176.543 176.870 -0.014 0.000 0.988 378 L CA -0.329 54.501 54.840 -0.017 0.000 0.824 378 L CB 1.816 43.860 42.059 -0.025 0.000 1.263 378 L HN 0.615 nan 8.230 nan 0.000 0.410 379 D N 3.773 124.164 120.400 -0.015 0.000 2.455 379 D HA 0.508 5.148 4.640 -0.000 0.000 0.234 379 D C 0.359 176.649 176.300 -0.017 0.000 1.224 379 D CA 1.388 55.380 54.000 -0.013 0.000 0.999 379 D CB -0.145 40.646 40.800 -0.016 0.000 1.072 379 D HN 0.838 nan 8.370 nan 0.000 0.514 380 G N 2.481 111.269 108.800 -0.020 0.000 2.392 380 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.677 380 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.677 380 G C -0.871 174.012 174.900 -0.029 0.000 1.334 380 G CA -1.109 43.978 45.100 -0.022 0.000 0.961 380 G HN 0.491 nan 8.290 nan 0.000 0.616 381 N N 1.190 119.874 118.700 -0.027 0.000 2.439 381 N HA 0.565 5.305 4.740 -0.000 0.000 0.249 381 N C -0.608 174.884 175.510 -0.030 0.000 1.003 381 N CA -2.121 50.911 53.050 -0.030 0.000 0.942 381 N CB 1.881 40.352 38.487 -0.026 0.000 1.115 381 N HN 0.190 nan 8.380 nan 0.000 0.505 382 P HA -0.071 nan 4.420 nan 0.000 0.229 382 P C 1.239 178.520 177.300 -0.032 0.000 1.160 382 P CA 0.290 63.358 63.100 -0.053 0.000 0.777 382 P CB 0.531 32.179 31.700 -0.086 0.000 0.814 383 L N 0.045 121.256 121.223 -0.020 0.000 2.201 383 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 383 L C 2.348 179.217 176.870 -0.001 0.000 1.105 383 L CA 1.799 56.635 54.840 -0.006 0.000 0.775 383 L CB -1.060 40.995 42.059 -0.007 0.000 0.913 383 L HN -0.081 nan 8.230 nan 0.000 0.440 384 E N -1.184 119.013 120.200 -0.005 0.000 2.079 384 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 384 E C 0.251 176.852 176.600 0.002 0.000 0.961 384 E CA 0.458 56.858 56.400 0.000 0.000 0.823 384 E CB 0.029 29.728 29.700 -0.002 0.000 0.789 384 E HN 0.236 nan 8.360 nan 0.000 0.459 385 D N 0.103 120.500 120.400 -0.006 0.000 2.462 385 D HA 0.145 4.785 4.640 -0.000 0.000 0.245 385 D C 0.334 176.624 176.300 -0.016 0.000 1.122 385 D CA -0.372 53.626 54.000 -0.004 0.000 0.864 385 D CB 0.909 41.707 40.800 -0.004 0.000 1.098 385 D HN -0.179 nan 8.370 nan 0.000 0.541 386 I N 3.184 123.752 120.570 -0.004 0.000 2.916 386 I HA 0.101 4.271 4.170 -0.000 0.000 0.267 386 I C 2.010 178.117 176.117 -0.017 0.000 1.263 386 I CA 0.896 62.187 61.300 -0.015 0.000 1.471 386 I CB -0.156 37.868 38.000 0.040 0.000 1.089 386 I HN 0.592 nan 8.210 nan 0.000 0.468 387 G N -0.198 108.603 108.800 0.002 0.000 2.509 387 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 387 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 387 G C 1.626 176.519 174.900 -0.011 0.000 1.124 387 G CA 0.981 46.087 45.100 0.010 0.000 0.776 387 G HN 0.459 nan 8.290 nan 0.000 0.547 388 V N -1.725 118.167 119.914 -0.036 0.000 3.217 388 V HA 0.088 4.208 4.120 -0.000 0.000 0.264 388 V C 2.084 178.132 176.094 -0.078 0.000 1.135 388 V CA 1.316 63.590 62.300 -0.043 0.000 1.142 388 V CB 0.083 31.882 31.823 -0.040 0.000 0.754 388 V HN 0.116 nan 8.190 nan 0.000 0.484 389 V N 0.186 120.008 119.914 -0.153 0.000 2.908 389 V HA 0.472 4.592 4.120 -0.000 0.000 0.240 389 V C 2.295 178.269 176.094 -0.200 0.000 1.117 389 V CA 0.992 63.092 62.300 -0.333 0.000 1.133 389 V CB 0.089 31.443 31.823 -0.782 0.000 0.857 389 V HN 0.522 nan 8.190 nan 0.000 0.478 390 A N -0.570 122.221 122.820 -0.049 0.000 2.577 390 A HA 0.266 4.586 4.320 -0.000 0.000 0.280 390 A C 0.372 178.028 177.584 0.119 0.000 1.331 390 A CA 0.068 52.179 52.037 0.124 0.000 0.935 390 A CB -0.364 18.756 19.000 0.200 0.000 1.082 390 A HN 0.365 nan 8.150 nan 0.000 0.525 391 D N 0.628 121.073 120.400 0.075 0.000 2.894 391 D HA 0.202 4.842 4.640 -0.000 0.000 0.248 391 D C 0.286 176.632 176.300 0.075 0.000 1.291 391 D CA 0.175 54.220 54.000 0.075 0.000 0.840 391 D CB -0.304 40.524 40.800 0.046 0.000 1.044 391 D HN 0.517 nan 8.370 nan 0.000 0.484 392 E N -0.290 119.974 120.200 0.106 0.000 2.694 392 E HA -0.218 4.132 4.350 -0.000 0.000 0.272 392 E C 0.577 177.230 176.600 0.088 0.000 1.040 392 E CA 0.402 56.857 56.400 0.092 0.000 0.809 392 E CB -1.085 28.635 29.700 0.033 0.000 1.389 392 E HN 0.561 nan 8.360 nan 0.000 0.413 393 G N -1.600 107.260 108.800 0.100 0.000 2.272 393 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.280 393 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.280 393 G C 0.727 175.650 174.900 0.039 0.000 1.067 393 G CA 0.829 45.981 45.100 0.085 0.000 0.902 393 G HN 0.792 nan 8.290 nan 0.000 0.500 394 A N -0.028 122.807 122.820 0.026 0.000 1.872 394 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 394 A C 2.072 179.650 177.584 -0.009 0.000 1.187 394 A CA 1.536 53.578 52.037 0.008 0.000 0.614 394 A CB -0.053 18.954 19.000 0.012 0.000 0.826 394 A HN 0.510 nan 8.150 nan 0.000 0.442 395 R N -0.634 119.860 120.500 -0.009 0.000 2.702 395 R HA 0.267 4.607 4.340 -0.000 0.000 0.314 395 R C -0.670 175.612 176.300 -0.030 0.000 1.152 395 R CA -0.051 56.036 56.100 -0.022 0.000 1.097 395 R CB 0.377 30.666 30.300 -0.017 0.000 1.343 395 R HN 0.240 nan 8.270 nan 0.000 0.575 396 V N 2.335 122.229 119.914 -0.033 0.000 2.334 396 V HA 0.126 4.246 4.120 -0.000 0.000 0.281 396 V C 0.752 176.779 176.094 -0.111 0.000 1.016 396 V CA -0.392 61.878 62.300 -0.050 0.000 0.832 396 V CB 1.237 33.048 31.823 -0.021 0.000 0.999 396 V HN 0.355 nan 8.190 nan 0.000 0.439 397 E N 5.807 125.903 120.200 -0.175 0.000 2.340 397 E HA 0.060 4.410 4.350 -0.000 0.000 0.198 397 E C -0.750 175.444 176.600 -0.678 0.000 0.961 397 E CA 0.307 56.455 56.400 -0.420 0.000 0.905 397 E CB 0.386 29.788 29.700 -0.497 0.000 0.884 397 E HN 0.670 nan 8.360 nan 0.000 0.491 398 Y N 0.443 120.714 120.300 -0.047 0.000 2.373 398 Y HA 0.444 4.994 4.550 -0.001 0.000 0.336 398 Y C -0.566 175.286 175.900 -0.081 0.000 0.979 398 Y CA -1.064 57.003 58.100 -0.054 0.000 1.080 398 Y CB 2.494 40.925 38.460 -0.049 0.000 1.190 398 Y HN -0.273 nan 8.280 nan 0.000 0.446 399 V N 5.514 125.465 119.914 0.063 0.000 2.407 399 V HA 0.418 4.538 4.120 -0.000 0.000 0.291 399 V C -0.616 175.479 176.094 0.000 0.000 1.018 399 V CA -0.692 61.598 62.300 -0.017 0.000 0.842 399 V CB 1.391 33.184 31.823 -0.049 0.000 0.996 399 V HN 0.545 nan 8.190 nan 0.000 0.426 400 L N 4.417 125.624 121.223 -0.026 0.000 2.309 400 L HA 0.605 4.945 4.340 -0.000 0.000 0.282 400 L C -0.049 176.797 176.870 -0.041 0.000 1.036 400 L CA 0.246 55.070 54.840 -0.026 0.000 0.806 400 L CB 1.572 43.610 42.059 -0.034 0.000 1.220 400 L HN 0.644 nan 8.230 nan 0.000 0.429 401 Q N 3.326 123.107 119.800 -0.030 0.000 2.292 401 Q HA 0.403 4.743 4.340 -0.000 0.000 0.270 401 Q C -0.724 175.260 176.000 -0.027 0.000 1.024 401 Q CA -0.760 55.025 55.803 -0.031 0.000 0.768 401 Q CB 1.238 29.960 28.738 -0.028 0.000 1.250 401 Q HN 0.444 nan 8.270 nan 0.000 0.447 402 R N 2.615 123.100 120.500 -0.025 0.000 3.158 402 R HA -0.320 4.020 4.340 -0.000 0.000 0.244 402 R C 0.696 176.984 176.300 -0.021 0.000 0.900 402 R CA 0.729 56.816 56.100 -0.021 0.000 0.618 402 R CB -2.001 28.284 30.300 -0.024 0.000 1.061 402 R HN 1.176 nan 8.270 nan 0.000 0.471 403 G N -1.249 107.538 108.800 -0.022 0.000 2.458 403 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.237 403 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.237 403 G C 0.279 175.165 174.900 -0.024 0.000 1.113 403 G CA 0.723 45.810 45.100 -0.022 0.000 0.655 403 G HN 0.777 nan 8.290 nan 0.000 0.513 404 T N 0.365 114.906 114.554 -0.022 0.000 2.909 404 T HA 0.613 4.963 4.350 -0.000 0.000 0.289 404 T C 0.194 174.885 174.700 -0.015 0.000 1.005 404 T CA -0.042 62.047 62.100 -0.019 0.000 1.084 404 T CB 1.518 70.375 68.868 -0.018 0.000 0.975 404 T HN 1.133 nan 8.240 nan 0.000 0.509 405 L N 5.477 126.695 121.223 -0.008 0.000 2.281 405 L HA 0.435 4.775 4.340 -0.000 0.000 0.285 405 L C 0.540 177.422 176.870 0.019 0.000 1.074 405 L CA 0.198 55.046 54.840 0.013 0.000 0.817 405 L CB 0.855 42.928 42.059 0.023 0.000 1.168 405 L HN 0.674 nan 8.230 nan 0.000 0.434 406 V N 2.858 122.784 119.914 0.020 0.000 3.455 406 V HA 0.330 4.449 4.120 -0.000 0.000 0.250 406 V C 0.465 176.568 176.094 0.015 0.000 1.230 406 V CA 0.227 62.533 62.300 0.010 0.000 1.105 406 V CB -0.414 31.406 31.823 -0.004 0.000 0.850 406 V HN 0.580 nan 8.190 nan 0.000 0.461 407 K N 1.685 122.103 120.400 0.030 0.000 2.426 407 K HA 0.558 4.877 4.320 -0.000 0.000 0.254 407 K C -0.988 175.620 176.600 0.014 0.000 0.936 407 K CA -0.326 55.966 56.287 0.009 0.000 0.801 407 K CB 2.840 35.331 32.500 -0.015 0.000 1.139 407 K HN 0.128 nan 8.250 nan 0.000 0.424 408 R N 2.880 123.361 120.500 -0.032 0.000 2.451 408 R HA 0.295 4.635 4.340 -0.000 0.000 0.307 408 R C -0.856 175.341 176.300 -0.172 0.000 0.965 408 R CA -0.190 55.833 56.100 -0.130 0.000 0.865 408 R CB 1.180 31.493 30.300 0.022 0.000 1.174 408 R HN 0.671 nan 8.270 nan 0.000 0.455 409 Q N 0.000 119.629 119.800 -0.285 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.692 55.803 -0.186 0.000 1.022 409 Q CB 0.000 28.651 28.738 -0.145 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481