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_O 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 0.000 174.690 174.700 -0.016 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 -0.011 0.000 0.612 3 I N 1.835 122.394 120.570 -0.019 0.000 2.569 3 I HA 0.705 4.876 4.170 0.001 0.000 0.290 3 I C -1.574 174.527 176.117 -0.026 0.000 1.088 3 I CA -0.156 61.132 61.300 -0.021 0.000 1.047 3 I CB 2.041 40.030 38.000 -0.020 0.000 1.237 3 I HN 0.176 nan 8.210 nan 0.000 0.421 4 T N 5.704 120.241 114.554 -0.028 0.000 2.906 4 T HA 0.647 4.997 4.350 0.001 0.000 0.295 4 T C -1.120 173.560 174.700 -0.032 0.000 1.061 4 T CA -0.630 61.448 62.100 -0.036 0.000 1.000 4 T CB 2.192 71.034 68.868 -0.044 0.000 1.103 4 T HN 0.273 nan 8.240 nan 0.000 0.486 5 V N 2.747 122.640 119.914 -0.035 0.000 2.577 5 V HA 0.410 4.530 4.120 0.001 0.000 0.303 5 V C -0.649 175.435 176.094 -0.018 0.000 1.042 5 V CA -0.867 61.423 62.300 -0.017 0.000 0.872 5 V CB 1.754 33.568 31.823 -0.016 0.000 0.998 5 V HN 0.734 nan 8.190 nan 0.000 0.423 6 L N 6.126 127.345 121.223 -0.006 0.000 2.278 6 L HA 0.476 4.816 4.340 0.001 0.000 0.287 6 L C 0.335 177.242 176.870 0.061 0.000 1.072 6 L CA -0.078 54.756 54.840 -0.011 0.000 0.819 6 L CB 0.755 42.797 42.059 -0.029 0.000 1.176 6 L HN 0.741 nan 8.230 nan 0.000 0.435 7 Q N 2.000 121.845 119.800 0.074 0.000 2.309 7 Q HA 0.621 4.962 4.340 0.001 0.000 0.264 7 Q C 0.619 176.635 176.000 0.027 0.000 1.008 7 Q CA -0.363 55.554 55.803 0.190 0.000 0.853 7 Q CB 2.041 30.942 28.738 0.272 0.000 1.314 7 Q HN 0.738 nan 8.270 nan 0.000 0.448 8 G N 1.445 110.158 108.800 -0.144 0.000 2.162 8 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 8 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 8 G C 0.412 175.230 174.900 -0.137 0.000 0.976 8 G CA -0.192 44.832 45.100 -0.126 0.000 0.655 8 G HN 1.040 nan 8.290 nan 0.000 0.533 9 G N -0.494 108.237 108.800 -0.115 0.000 2.636 9 G HA2 0.456 4.417 3.960 0.001 0.000 0.246 9 G HA3 0.456 4.417 3.960 0.001 0.000 0.246 9 G C -0.081 174.763 174.900 -0.094 0.000 1.216 9 G CA -0.084 44.967 45.100 -0.083 0.000 0.854 9 G HN 0.554 nan 8.290 nan 0.000 0.572 10 N N -0.186 118.464 118.700 -0.084 0.000 2.706 10 N HA 0.331 5.072 4.740 0.001 0.000 0.240 10 N C -0.701 174.772 175.510 -0.062 0.000 1.039 10 N CA -0.597 52.406 53.050 -0.077 0.000 0.888 10 N CB 2.235 40.660 38.487 -0.103 0.000 1.128 10 N HN 0.229 nan 8.380 nan 0.000 0.512 11 V N 2.600 122.472 119.914 -0.069 0.000 2.446 11 V HA 0.024 4.144 4.120 0.001 0.000 0.276 11 V C 0.620 176.659 176.094 -0.091 0.000 1.030 11 V CA -0.315 61.933 62.300 -0.086 0.000 1.033 11 V CB 0.523 32.277 31.823 -0.114 0.000 0.993 11 V HN 0.610 nan 8.190 nan 0.000 0.477 12 L N 5.136 126.324 121.223 -0.060 0.000 2.361 12 L HA 0.270 4.610 4.340 0.001 0.000 0.278 12 L C 0.467 177.313 176.870 -0.041 0.000 1.113 12 L CA 0.134 54.949 54.840 -0.041 0.000 0.849 12 L CB 0.537 42.586 42.059 -0.017 0.000 1.155 12 L HN 0.676 nan 8.230 nan 0.000 0.452 13 D N 4.817 125.192 120.400 -0.042 0.000 2.359 13 D HA 0.149 4.790 4.640 0.001 0.000 0.230 13 D C 0.795 177.093 176.300 -0.004 0.000 1.118 13 D CA -0.316 53.666 54.000 -0.030 0.000 0.844 13 D CB 1.510 42.283 40.800 -0.043 0.000 1.059 13 D HN 0.515 nan 8.370 nan 0.000 0.493 14 L N 3.463 124.692 121.223 0.010 0.000 2.131 14 L HA -0.083 4.257 4.340 0.001 0.000 0.206 14 L C 2.512 179.401 176.870 0.033 0.000 1.087 14 L CA 0.568 55.426 54.840 0.031 0.000 0.767 14 L CB -0.198 41.888 42.059 0.046 0.000 0.917 14 L HN 0.475 nan 8.230 nan 0.000 0.441 15 E N 0.743 120.959 120.200 0.026 0.000 2.216 15 E HA -0.180 4.170 4.350 0.001 0.000 0.192 15 E C 1.966 178.579 176.600 0.021 0.000 0.988 15 E CA 0.926 57.342 56.400 0.027 0.000 0.834 15 E CB -0.089 29.626 29.700 0.025 0.000 0.772 15 E HN 0.475 nan 8.360 nan 0.000 0.479 16 R N -0.005 120.503 120.500 0.013 0.000 2.223 16 R HA 0.137 4.477 4.340 0.001 0.000 0.198 16 R C 1.078 177.385 176.300 0.012 0.000 0.984 16 R CA 0.583 56.689 56.100 0.009 0.000 1.018 16 R CB 0.256 30.556 30.300 0.000 0.000 0.945 16 R HN 0.344 nan 8.270 nan 0.000 0.479 17 G N 1.260 110.069 108.800 0.014 0.000 2.198 17 G HA2 -0.234 3.726 3.960 0.001 0.000 0.257 17 G HA3 -0.234 3.726 3.960 0.001 0.000 0.257 17 G C -0.081 174.825 174.900 0.011 0.000 1.042 17 G CA 0.328 45.439 45.100 0.018 0.000 0.791 17 G HN 0.262 nan 8.290 nan 0.000 0.502 18 V N -3.157 116.757 119.914 0.000 0.000 3.049 18 V HA 0.807 4.928 4.120 0.001 0.000 0.309 18 V C 0.598 176.679 176.094 -0.021 0.000 1.148 18 V CA -1.736 60.561 62.300 -0.006 0.000 0.990 18 V CB 2.034 33.855 31.823 -0.005 0.000 1.039 18 V HN 0.281 nan 8.190 nan 0.000 0.430 19 L N 2.546 123.756 121.223 -0.021 0.000 2.439 19 L HA 0.426 4.767 4.340 0.001 0.000 0.269 19 L C -0.396 176.445 176.870 -0.049 0.000 1.179 19 L CA -0.245 54.574 54.840 -0.036 0.000 0.828 19 L CB 0.957 43.000 42.059 -0.027 0.000 1.106 19 L HN 0.582 nan 8.230 nan 0.000 0.467 20 L N 3.930 125.096 121.223 -0.095 0.000 2.506 20 L HA 0.227 4.567 4.340 0.001 0.000 0.247 20 L C 0.214 177.101 176.870 0.028 0.000 1.141 20 L CA -0.556 54.193 54.840 -0.151 0.000 0.973 20 L CB 0.507 42.262 42.059 -0.506 0.000 1.319 20 L HN 0.584 nan 8.230 nan 0.000 0.455 21 E N 1.926 122.187 120.200 0.102 0.000 2.408 21 E HA -0.004 4.347 4.350 0.001 0.000 0.259 21 E C -0.121 176.586 176.600 0.178 0.000 1.110 21 E CA -0.377 56.055 56.400 0.053 0.000 0.929 21 E CB 0.325 30.007 29.700 -0.030 0.000 0.971 21 E HN 0.456 nan 8.360 nan 0.000 0.438 22 H N 0.132 119.219 119.070 0.027 0.000 2.692 22 H HA -0.165 4.391 4.556 0.001 0.000 0.316 22 H C -0.869 174.314 175.328 -0.242 0.000 1.176 22 H CA 1.116 57.100 56.048 -0.107 0.000 1.142 22 H CB -2.038 27.660 29.762 -0.107 0.000 1.475 22 H HN 0.518 nan 8.280 nan 0.000 0.423 23 H N 0.181 119.162 119.070 -0.147 0.000 2.466 23 H HA 0.319 4.876 4.556 0.001 0.000 0.338 23 H C 0.704 175.907 175.328 -0.209 0.000 1.091 23 H CA -0.488 55.477 56.048 -0.139 0.000 1.207 23 H CB 0.911 30.645 29.762 -0.047 0.000 1.466 23 H HN 0.274 nan 8.280 nan 0.000 0.493 24 H N 1.498 120.619 119.070 0.084 0.000 2.508 24 H HA 0.361 4.918 4.556 0.001 0.000 0.358 24 H C -0.390 174.970 175.328 0.054 0.000 1.212 24 H CA -0.508 55.568 56.048 0.046 0.000 1.356 24 H CB 1.425 31.196 29.762 0.014 0.000 1.525 24 H HN 0.222 nan 8.280 nan 0.000 0.578 25 V N 2.547 122.549 119.914 0.146 0.000 2.483 25 V HA 0.141 4.262 4.120 0.001 0.000 0.297 25 V C -0.108 176.017 176.094 0.051 0.000 1.027 25 V CA -0.793 61.553 62.300 0.077 0.000 0.855 25 V CB 1.861 33.704 31.823 0.032 0.000 0.995 25 V HN 0.427 nan 8.190 nan 0.000 0.424 26 V N 5.881 125.817 119.914 0.037 0.000 2.394 26 V HA 0.532 4.652 4.120 0.001 0.000 0.282 26 V C -0.309 175.786 176.094 0.002 0.000 1.031 26 V CA -0.493 61.814 62.300 0.012 0.000 0.881 26 V CB 1.616 33.443 31.823 0.006 0.000 0.982 26 V HN 0.580 nan 8.190 nan 0.000 0.451 27 I N 3.659 124.224 120.570 -0.008 0.000 2.418 27 I HA 0.452 4.622 4.170 0.001 0.000 0.287 27 I C -0.657 175.452 176.117 -0.014 0.000 1.008 27 I CA -0.494 60.799 61.300 -0.012 0.000 1.104 27 I CB 1.613 39.601 38.000 -0.020 0.000 1.264 27 I HN 0.678 nan 8.210 nan 0.000 0.438 28 D N 4.267 124.661 120.400 -0.011 0.000 2.425 28 D HA 0.592 5.232 4.640 0.001 0.000 0.240 28 D C 0.810 177.104 176.300 -0.010 0.000 1.080 28 D CA 0.606 54.599 54.000 -0.011 0.000 0.836 28 D CB 1.477 42.272 40.800 -0.009 0.000 1.125 28 D HN 0.827 nan 8.370 nan 0.000 0.525 29 G N 4.209 113.002 108.800 -0.012 0.000 2.687 29 G HA2 -0.339 3.622 3.960 0.001 0.000 0.303 29 G HA3 -0.339 3.622 3.960 0.001 0.000 0.303 29 G C 0.680 175.573 174.900 -0.011 0.000 1.209 29 G CA 0.533 45.627 45.100 -0.010 0.000 0.968 29 G HN 0.579 nan 8.290 nan 0.000 0.549 30 E N 0.863 121.058 120.200 -0.008 0.000 2.630 30 E HA 0.247 4.597 4.350 0.001 0.000 0.218 30 E C 0.974 177.571 176.600 -0.005 0.000 0.977 30 E CA -0.209 56.186 56.400 -0.008 0.000 1.038 30 E CB 0.974 30.670 29.700 -0.006 0.000 1.051 30 E HN 0.411 nan 8.360 nan 0.000 0.487 31 R N 0.635 121.132 120.500 -0.004 0.000 2.919 31 R HA 0.541 4.882 4.340 0.001 0.000 0.260 31 R C -0.353 175.945 176.300 -0.003 0.000 1.067 31 R CA -0.933 55.166 56.100 -0.002 0.000 1.003 31 R CB 1.816 32.118 30.300 0.002 0.000 1.192 31 R HN -0.072 nan 8.270 nan 0.000 0.488 32 I N 1.947 122.517 120.570 -0.001 0.000 2.325 32 I HA 0.048 4.219 4.170 0.001 0.000 0.291 32 I C 1.344 177.463 176.117 0.004 0.000 1.019 32 I CA -0.275 61.025 61.300 0.001 0.000 1.302 32 I CB 1.444 39.445 38.000 0.002 0.000 1.401 32 I HN 0.414 nan 8.210 nan 0.000 0.485 33 V N 3.739 123.656 119.914 0.004 0.000 2.300 33 V HA 0.088 4.209 4.120 0.001 0.000 0.241 33 V C 0.716 176.817 176.094 0.012 0.000 1.034 33 V CA 0.901 63.205 62.300 0.006 0.000 1.021 33 V CB -0.424 31.400 31.823 0.002 0.000 0.662 33 V HN 0.773 nan 8.190 nan 0.000 0.458 34 E N -0.845 119.365 120.200 0.017 0.000 2.366 34 E HA 0.568 4.919 4.350 0.001 0.000 0.278 34 E C -2.111 174.518 176.600 0.048 0.000 0.923 34 E CA -0.382 56.036 56.400 0.030 0.000 0.761 34 E CB 3.031 32.747 29.700 0.027 0.000 1.231 34 E HN 0.066 nan 8.360 nan 0.000 0.443 35 V N 2.675 122.628 119.914 0.064 0.000 2.443 35 V HA 0.520 4.641 4.120 0.001 0.000 0.293 35 V C -0.251 175.942 176.094 0.164 0.000 1.021 35 V CA -0.335 62.026 62.300 0.102 0.000 0.848 35 V CB 1.615 33.477 31.823 0.065 0.000 0.998 35 V HN 0.722 nan 8.190 nan 0.000 0.424 36 T N 1.713 116.397 114.554 0.218 0.000 2.821 36 T HA 0.377 4.728 4.350 0.001 0.000 0.306 36 T C -0.375 174.384 174.700 0.099 0.000 1.313 36 T CA -0.194 62.026 62.100 0.201 0.000 1.012 36 T CB 2.033 70.964 68.868 0.105 0.000 1.298 36 T HN 0.768 nan 8.240 nan 0.000 0.502 37 D N 0.672 120.978 120.400 -0.156 0.000 2.398 37 D HA 0.125 4.765 4.640 0.001 0.000 0.210 37 D C 0.511 176.778 176.300 -0.054 0.000 1.094 37 D CA -0.324 53.461 54.000 -0.357 0.000 0.839 37 D CB 0.195 40.519 40.800 -0.793 0.000 0.963 37 D HN 0.201 nan 8.370 nan 0.000 0.506 38 R N 1.814 122.323 120.500 0.015 0.000 2.784 38 R HA 0.220 4.560 4.340 0.001 0.000 0.266 38 R C -2.096 174.226 176.300 0.038 0.000 1.044 38 R CA -1.255 54.856 56.100 0.019 0.000 1.151 38 R CB -0.763 29.539 30.300 0.004 0.000 1.037 38 R HN 0.144 nan 8.270 nan 0.000 0.478 39 P HA -0.057 nan 4.420 nan 0.000 0.264 39 P C -0.002 177.213 177.300 -0.142 0.000 1.193 39 P CA 0.071 63.145 63.100 -0.042 0.000 0.763 39 P CB 0.467 32.150 31.700 -0.029 0.000 0.810 40 V N 3.975 123.707 119.914 -0.304 0.000 2.470 40 V HA 0.034 4.155 4.120 0.001 0.000 0.276 40 V C 0.409 176.396 176.094 -0.177 0.000 1.040 40 V CA -0.092 61.998 62.300 -0.351 0.000 1.008 40 V CB 0.052 31.497 31.823 -0.630 0.000 0.990 40 V HN 0.494 nan 8.190 nan 0.000 0.477 41 D N 7.298 127.624 120.400 -0.124 0.000 2.435 41 D HA 0.164 4.804 4.640 0.001 0.000 0.230 41 D C -0.171 176.084 176.300 -0.075 0.000 1.215 41 D CA -0.213 53.740 54.000 -0.079 0.000 0.947 41 D CB 0.419 41.186 40.800 -0.056 0.000 1.048 41 D HN 0.682 nan 8.370 nan 0.000 0.512 42 L N 2.494 123.674 121.223 -0.073 0.000 2.408 42 L HA 0.503 4.843 4.340 0.001 0.000 0.257 42 L C -2.089 174.755 176.870 -0.043 0.000 1.053 42 L CA -1.365 53.439 54.840 -0.060 0.000 0.922 42 L CB 1.283 43.300 42.059 -0.070 0.000 1.261 42 L HN -0.034 nan 8.230 nan 0.000 0.458 43 P HA 0.021 nan 4.420 nan 0.000 0.211 43 P C 0.496 177.781 177.300 -0.025 0.000 1.191 43 P CA 0.914 63.997 63.100 -0.028 0.000 0.909 43 P CB 0.272 31.958 31.700 -0.024 0.000 0.770 44 N N -0.819 117.867 118.700 -0.023 0.000 2.389 44 N HA 0.405 5.145 4.740 0.001 0.000 0.260 44 N C -0.767 174.729 175.510 -0.023 0.000 1.191 44 N CA -0.337 52.701 53.050 -0.021 0.000 0.885 44 N CB 0.073 38.550 38.487 -0.017 0.000 1.162 44 N HN 0.087 nan 8.380 nan 0.000 0.512 45 A N 0.430 123.234 122.820 -0.027 0.000 2.312 45 A HA 0.328 4.649 4.320 0.001 0.000 0.326 45 A C -0.141 177.425 177.584 -0.031 0.000 1.172 45 A CA -0.451 51.568 52.037 -0.030 0.000 0.821 45 A CB 1.055 20.034 19.000 -0.034 0.000 1.166 45 A HN 0.397 nan 8.150 nan 0.000 0.493 46 Q N 0.262 120.042 119.800 -0.032 0.000 2.306 46 Q HA 0.595 4.936 4.340 0.001 0.000 0.241 46 Q C -0.419 175.556 176.000 -0.042 0.000 0.948 46 Q CA -0.264 55.518 55.803 -0.036 0.000 0.886 46 Q CB 1.219 29.934 28.738 -0.038 0.000 1.227 46 Q HN 0.941 nan 8.270 nan 0.000 0.457 47 A N 3.522 126.315 122.820 -0.045 0.000 2.414 47 A HA 0.690 5.010 4.320 0.001 0.000 0.306 47 A C -1.271 176.270 177.584 -0.072 0.000 1.054 47 A CA -0.702 51.307 52.037 -0.047 0.000 0.724 47 A CB 0.981 19.964 19.000 -0.028 0.000 1.267 47 A HN 0.721 nan 8.150 nan 0.000 0.418 48 I N 1.388 121.900 120.570 -0.098 0.000 2.436 48 I HA 0.280 4.450 4.170 0.001 0.000 0.289 48 I C -0.926 175.131 176.117 -0.101 0.000 1.010 48 I CA -0.599 60.605 61.300 -0.159 0.000 1.098 48 I CB 2.089 39.888 38.000 -0.334 0.000 1.266 48 I HN 0.549 nan 8.210 nan 0.000 0.434 49 D N 5.721 126.084 120.400 -0.061 0.000 2.325 49 D HA 0.267 4.908 4.640 0.001 0.000 0.251 49 D C 0.020 176.321 176.300 0.002 0.000 1.196 49 D CA 0.083 54.077 54.000 -0.009 0.000 0.866 49 D CB 1.361 42.170 40.800 0.014 0.000 1.101 49 D HN 0.253 nan 8.370 nan 0.000 0.476 50 V N 5.140 125.054 119.914 0.001 0.000 2.854 50 V HA 0.131 4.252 4.120 0.001 0.000 0.366 50 V C 0.660 176.746 176.094 -0.012 0.000 1.322 50 V CA -0.794 61.511 62.300 0.008 0.000 1.243 50 V CB -0.679 31.138 31.823 -0.009 0.000 1.337 50 V HN 0.480 nan 8.190 nan 0.000 0.585 51 R N 1.555 122.054 120.500 -0.002 0.000 2.489 51 R HA 0.364 4.704 4.340 0.001 0.000 0.287 51 R C 0.812 177.090 176.300 -0.036 0.000 1.053 51 R CA 0.922 57.011 56.100 -0.018 0.000 1.036 51 R CB 0.176 30.496 30.300 0.032 0.000 0.966 51 R HN 0.790 nan 8.270 nan 0.000 0.432 52 G N 2.045 110.785 108.800 -0.101 0.000 2.160 52 G HA2 -0.314 3.647 3.960 0.001 0.000 0.251 52 G HA3 -0.314 3.647 3.960 0.001 0.000 0.251 52 G C -0.434 174.426 174.900 -0.067 0.000 1.008 52 G CA 0.767 45.813 45.100 -0.091 0.000 0.724 52 G HN 0.666 nan 8.290 nan 0.000 0.514 53 K N -0.475 119.884 120.400 -0.067 0.000 2.435 53 K HA 0.576 4.897 4.320 0.001 0.000 0.251 53 K C -0.347 176.223 176.600 -0.050 0.000 0.954 53 K CA -0.697 55.565 56.287 -0.042 0.000 0.820 53 K CB 1.582 34.076 32.500 -0.011 0.000 1.292 53 K HN 0.043 nan 8.250 nan 0.000 0.436 54 T N 1.472 116.002 114.554 -0.040 0.000 2.749 54 T HA 0.204 4.554 4.350 0.001 0.000 0.295 54 T C -0.275 174.402 174.700 -0.039 0.000 0.936 54 T CA -0.511 61.564 62.100 -0.042 0.000 1.060 54 T CB 0.574 69.421 68.868 -0.037 0.000 0.904 54 T HN 0.113 nan 8.240 nan 0.000 0.500 55 V N 6.403 126.290 119.914 -0.045 0.000 2.394 55 V HA 0.629 4.749 4.120 0.001 0.000 0.282 55 V C 0.142 176.201 176.094 -0.059 0.000 1.031 55 V CA -0.581 61.689 62.300 -0.049 0.000 0.881 55 V CB 0.822 32.621 31.823 -0.041 0.000 0.982 55 V HN 0.940 nan 8.190 nan 0.000 0.451 56 M N 5.917 125.468 119.600 -0.082 0.000 2.618 56 M HA 0.774 5.255 4.480 0.001 0.000 0.281 56 M C -3.123 173.091 176.300 -0.143 0.000 1.267 56 M CA -2.029 53.219 55.300 -0.086 0.000 0.845 56 M CB 2.903 35.471 32.600 -0.053 0.000 1.732 56 M HN 0.260 nan 8.290 nan 0.000 0.461 57 P HA 0.234 nan 4.420 nan 0.000 0.275 57 P C 0.095 177.222 177.300 -0.288 0.000 1.227 57 P CA 0.198 63.211 63.100 -0.145 0.000 0.781 57 P CB 0.593 32.254 31.700 -0.065 0.000 0.906 58 G N 2.544 111.147 108.800 -0.328 0.000 2.391 58 G HA2 0.176 4.136 3.960 0.001 0.000 0.234 58 G HA3 0.176 4.136 3.960 0.001 0.000 0.234 58 G C -0.399 174.280 174.900 -0.368 0.000 1.284 58 G CA -0.335 44.457 45.100 -0.514 0.000 0.873 58 G HN 0.264 nan 8.290 nan 0.000 0.549 59 F N 0.323 120.248 119.950 -0.042 0.000 2.429 59 F HA 0.406 4.934 4.527 0.001 0.000 0.348 59 F C 0.838 176.771 175.800 0.221 0.000 1.109 59 F CA -0.750 57.281 58.000 0.051 0.000 1.232 59 F CB 0.705 39.675 39.000 -0.051 0.000 1.157 59 F HN 0.152 nan 8.300 nan 0.000 0.564 60 I N 2.388 123.185 120.570 0.379 0.000 2.330 60 I HA 0.166 4.337 4.170 0.001 0.000 0.289 60 I C -0.589 175.716 176.117 0.313 0.000 1.001 60 I CA -0.521 60.962 61.300 0.307 0.000 1.193 60 I CB 1.117 39.250 38.000 0.221 0.000 1.345 60 I HN 0.471 nan 8.210 nan 0.000 0.461 61 D N 5.542 126.099 120.400 0.261 0.000 2.359 61 D HA 0.218 4.859 4.640 0.001 0.000 0.230 61 D C 0.483 176.862 176.300 0.132 0.000 1.118 61 D CA -0.416 53.695 54.000 0.185 0.000 0.844 61 D CB 1.317 42.045 40.800 -0.120 0.000 1.059 61 D HN 0.548 nan 8.370 nan 0.000 0.493 62 C N 2.496 121.886 119.300 0.150 0.000 2.522 62 C HA 0.068 4.528 4.460 0.001 0.000 0.271 62 C C 0.985 176.024 174.990 0.080 0.000 1.425 62 C CA -0.068 59.015 59.018 0.108 0.000 1.751 62 C CB -1.651 26.143 27.740 0.091 0.000 1.775 62 C HN 0.623 nan 8.230 nan 0.000 0.557 63 H N -0.155 118.867 119.070 -0.081 0.000 2.750 63 H HA 0.460 5.016 4.556 0.001 0.000 0.261 63 H C -0.548 174.654 175.328 -0.211 0.000 1.387 63 H CA -0.193 55.757 56.048 -0.163 0.000 1.557 63 H CB 0.403 30.045 29.762 -0.201 0.000 1.756 63 H HN 0.111 nan 8.280 nan 0.000 0.580 64 V N 0.351 120.105 119.914 -0.267 0.000 3.166 64 V HA 0.600 4.721 4.120 0.001 0.000 0.317 64 V C -0.447 175.403 176.094 -0.407 0.000 1.136 64 V CA -0.702 61.476 62.300 -0.202 0.000 1.035 64 V CB 2.398 34.163 31.823 -0.098 0.000 1.110 64 V HN 0.671 nan 8.190 nan 0.000 0.450 65 H N 1.078 120.198 119.070 0.085 0.000 2.569 65 H HA 0.416 4.973 4.556 0.001 0.000 0.247 65 H C 0.668 176.035 175.328 0.065 0.000 1.346 65 H CA -0.295 55.795 56.048 0.071 0.000 1.502 65 H CB 1.522 31.345 29.762 0.102 0.000 1.512 65 H HN 0.509 nan 8.280 nan 0.000 0.502 66 V N 1.974 121.926 119.914 0.064 0.000 2.469 66 V HA -0.239 3.881 4.120 0.001 0.000 0.251 66 V C 2.197 178.277 176.094 -0.024 0.000 1.064 66 V CA 1.721 63.995 62.300 -0.043 0.000 1.066 66 V CB -0.162 31.630 31.823 -0.052 0.000 0.667 66 V HN 0.520 nan 8.190 nan 0.000 0.461 67 L N -0.361 120.887 121.223 0.041 0.000 2.477 67 L HA 0.284 4.625 4.340 0.001 0.000 0.220 67 L C 1.484 178.380 176.870 0.044 0.000 1.106 67 L CA 0.228 55.086 54.840 0.030 0.000 0.851 67 L CB -0.194 41.884 42.059 0.032 0.000 0.994 67 L HN 0.263 nan 8.230 nan 0.000 0.462 68 A N 0.048 122.925 122.820 0.094 0.000 2.639 68 A HA 0.131 4.452 4.320 0.001 0.000 0.295 68 A C 1.449 179.108 177.584 0.124 0.000 1.443 68 A CA 0.486 52.572 52.037 0.083 0.000 1.117 68 A CB -0.157 18.898 19.000 0.092 0.000 1.098 68 A HN 0.409 nan 8.150 nan 0.000 0.552 69 S N 1.729 117.457 115.700 0.047 0.000 2.496 69 S HA 0.015 4.486 4.470 0.001 0.000 0.224 69 S C 0.468 175.073 174.600 0.009 0.000 0.996 69 S CA 0.365 58.585 58.200 0.034 0.000 0.927 69 S CB -0.509 62.693 63.200 0.003 0.000 0.774 69 S HN 0.988 nan 8.310 nan 0.000 0.524 70 N N -1.584 117.107 118.700 -0.014 0.000 2.494 70 N HA 0.661 5.402 4.740 0.001 0.000 0.270 70 N C 0.458 175.936 175.510 -0.053 0.000 1.285 70 N CA -0.384 52.641 53.050 -0.042 0.000 0.812 70 N CB 0.991 39.454 38.487 -0.039 0.000 1.557 70 N HN -0.060 nan 8.380 nan 0.000 0.487 71 A N 0.809 123.602 122.820 -0.044 0.000 1.978 71 A HA -0.136 4.185 4.320 0.001 0.000 0.220 71 A C 0.885 178.442 177.584 -0.046 0.000 1.170 71 A CA 1.373 53.395 52.037 -0.025 0.000 0.636 71 A CB -0.916 18.112 19.000 0.046 0.000 0.810 71 A HN 0.765 nan 8.150 nan 0.000 0.448 72 N N 0.271 118.934 118.700 -0.062 0.000 2.415 72 N HA 0.365 5.106 4.740 0.001 0.000 0.246 72 N C 0.457 175.836 175.510 -0.219 0.000 1.078 72 N CA -0.119 52.862 53.050 -0.116 0.000 0.942 72 N CB 0.312 38.751 38.487 -0.079 0.000 1.140 72 N HN 0.238 nan 8.380 nan 0.000 0.501 73 L N 2.235 123.243 121.223 -0.359 0.000 2.275 73 L HA 0.072 4.413 4.340 0.001 0.000 0.215 73 L C 2.202 178.585 176.870 -0.813 0.000 1.119 73 L CA 0.977 55.473 54.840 -0.573 0.000 0.790 73 L CB -0.253 41.376 42.059 -0.715 0.000 0.919 73 L HN 0.657 nan 8.230 nan 0.000 0.443 74 G N -0.771 107.572 108.800 -0.762 0.000 2.408 74 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 74 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 74 G C 1.550 176.320 174.900 -0.218 0.000 1.150 74 G CA 0.795 45.598 45.100 -0.496 0.000 0.776 74 G HN 0.210 nan 8.290 nan 0.000 0.542 75 V N 0.531 120.340 119.914 -0.174 0.000 3.406 75 V HA 0.044 4.165 4.120 0.001 0.000 0.263 75 V C 2.264 178.306 176.094 -0.086 0.000 1.172 75 V CA 1.418 63.663 62.300 -0.093 0.000 1.140 75 V CB -0.174 31.612 31.823 -0.062 0.000 0.784 75 V HN 0.434 nan 8.190 nan 0.000 0.467 76 N N 0.363 118.985 118.700 -0.130 0.000 2.244 76 N HA -0.060 4.681 4.740 0.001 0.000 0.183 76 N C 1.721 177.195 175.510 -0.061 0.000 1.016 76 N CA 1.400 54.392 53.050 -0.097 0.000 0.866 76 N CB -0.147 38.262 38.487 -0.131 0.000 0.980 76 N HN 0.477 nan 8.380 nan 0.000 0.430 77 A N -0.737 122.044 122.820 -0.064 0.000 2.021 77 A HA -0.036 4.284 4.320 0.001 0.000 0.216 77 A C 2.124 179.719 177.584 0.018 0.000 1.163 77 A CA 1.565 53.604 52.037 0.005 0.000 0.676 77 A CB -0.875 18.163 19.000 0.064 0.000 0.818 77 A HN 0.505 nan 8.150 nan 0.000 0.453 78 T N -0.974 113.580 114.554 0.000 0.000 3.067 78 T HA 0.006 4.357 4.350 0.001 0.000 0.261 78 T C 1.026 175.730 174.700 0.007 0.000 1.110 78 T CA 0.431 62.538 62.100 0.010 0.000 1.113 78 T CB -0.600 68.270 68.868 0.004 0.000 0.917 78 T HN 0.693 nan 8.240 nan 0.000 0.499 79 Q N 2.081 121.880 119.800 -0.002 0.000 2.395 79 Q HA 0.252 4.593 4.340 0.001 0.000 0.271 79 Q C -2.651 173.354 176.000 0.008 0.000 1.026 79 Q CA -1.776 54.027 55.803 -0.001 0.000 0.900 79 Q CB -0.128 28.605 28.738 -0.009 0.000 1.266 79 Q HN 0.130 nan 8.270 nan 0.000 0.430 80 P HA -0.018 nan 4.420 nan 0.000 0.268 80 P C -0.055 177.253 177.300 0.013 0.000 1.208 80 P CA -0.248 62.858 63.100 0.010 0.000 0.777 80 P CB 0.554 32.257 31.700 0.005 0.000 0.875 81 N N 1.660 120.371 118.700 0.018 0.000 2.043 81 N HA -0.156 4.584 4.740 0.001 0.000 0.193 81 N C 1.525 177.046 175.510 0.017 0.000 1.037 81 N CA 1.097 54.161 53.050 0.024 0.000 0.851 81 N CB -0.829 37.675 38.487 0.029 0.000 1.027 81 N HN 0.437 nan 8.380 nan 0.000 0.422 82 I N 0.854 121.430 120.570 0.011 0.000 2.252 82 I HA -0.162 4.008 4.170 0.001 0.000 0.245 82 I C 1.841 177.960 176.117 0.003 0.000 1.102 82 I CA 1.084 62.388 61.300 0.006 0.000 1.385 82 I CB -0.603 37.398 38.000 0.003 0.000 1.064 82 I HN 0.098 nan 8.210 nan 0.000 0.414 83 L N 1.239 122.463 121.223 0.002 0.000 2.127 83 L HA -0.195 4.146 4.340 0.001 0.000 0.211 83 L C 2.894 179.763 176.870 -0.002 0.000 1.089 83 L CA 1.377 56.216 54.840 -0.001 0.000 0.757 83 L CB -0.613 41.445 42.059 -0.002 0.000 0.899 83 L HN 0.349 nan 8.230 nan 0.000 0.434 84 A N -0.276 122.545 122.820 0.002 0.000 1.877 84 A HA -0.200 4.121 4.320 0.001 0.000 0.216 84 A C 2.476 180.060 177.584 -0.000 0.000 1.186 84 A CA 1.789 53.828 52.037 0.002 0.000 0.620 84 A CB -0.707 18.299 19.000 0.010 0.000 0.822 84 A HN 0.431 nan 8.150 nan 0.000 0.443 85 A N -0.314 122.507 122.820 0.002 0.000 1.898 85 A HA 0.006 4.326 4.320 0.001 0.000 0.216 85 A C 1.951 179.528 177.584 -0.012 0.000 1.181 85 A CA 1.516 53.550 52.037 -0.003 0.000 0.620 85 A CB -0.445 18.556 19.000 0.001 0.000 0.819 85 A HN 0.385 nan 8.150 nan 0.000 0.442 86 I N -0.053 120.511 120.570 -0.010 0.000 2.286 86 I HA -0.163 4.008 4.170 0.001 0.000 0.248 86 I C 2.373 178.479 176.117 -0.018 0.000 1.115 86 I CA 1.314 62.606 61.300 -0.014 0.000 1.392 86 I CB -1.240 36.753 38.000 -0.011 0.000 1.065 86 I HN 0.329 nan 8.210 nan 0.000 0.418 87 R N 0.479 120.969 120.500 -0.016 0.000 2.235 87 R HA -0.064 4.276 4.340 0.001 0.000 0.213 87 R C 2.302 178.584 176.300 -0.029 0.000 1.059 87 R CA 1.199 57.288 56.100 -0.019 0.000 0.997 87 R CB -0.115 30.177 30.300 -0.014 0.000 0.884 87 R HN 0.473 nan 8.270 nan 0.000 0.462 88 S N 0.156 115.837 115.700 -0.032 0.000 2.470 88 S HA 0.020 4.491 4.470 0.001 0.000 0.225 88 S C 1.876 176.439 174.600 -0.062 0.000 1.006 88 S CA 0.299 58.469 58.200 -0.050 0.000 0.934 88 S CB -0.084 63.094 63.200 -0.038 0.000 0.778 88 S HN 0.212 nan 8.310 nan 0.000 0.517 89 L N 0.780 121.975 121.223 -0.047 0.000 2.240 89 L HA 0.144 4.485 4.340 0.001 0.000 0.211 89 L C -0.788 176.055 176.870 -0.046 0.000 1.106 89 L CA 0.445 55.258 54.840 -0.046 0.000 0.793 89 L CB -1.791 40.247 42.059 -0.036 0.000 0.927 89 L HN 0.246 nan 8.230 nan 0.000 0.446 90 P HA -0.091 nan 4.420 nan 0.000 0.219 90 P C 1.850 179.116 177.300 -0.058 0.000 1.150 90 P CA 1.260 64.335 63.100 -0.041 0.000 0.814 90 P CB 0.108 31.787 31.700 -0.035 0.000 0.787 91 I N -1.482 119.032 120.570 -0.095 0.000 2.202 91 I HA -0.210 3.960 4.170 0.001 0.000 0.242 91 I C 2.284 178.315 176.117 -0.144 0.000 1.091 91 I CA 1.295 62.489 61.300 -0.177 0.000 1.368 91 I CB -0.742 37.065 38.000 -0.322 0.000 1.058 91 I HN -0.107 nan 8.210 nan 0.000 0.410 92 L N 0.383 121.543 121.223 -0.105 0.000 2.027 92 L HA -0.237 4.104 4.340 0.001 0.000 0.206 92 L C 2.329 179.180 176.870 -0.032 0.000 1.074 92 L CA 1.413 56.211 54.840 -0.070 0.000 0.745 92 L CB -0.535 41.485 42.059 -0.065 0.000 0.898 92 L HN 0.238 nan 8.230 nan 0.000 0.433 93 D N -0.138 120.244 120.400 -0.030 0.000 2.104 93 D HA -0.181 4.460 4.640 0.001 0.000 0.194 93 D C 2.149 178.454 176.300 0.009 0.000 0.994 93 D CA 1.452 55.444 54.000 -0.012 0.000 0.830 93 D CB 0.096 40.885 40.800 -0.018 0.000 0.959 93 D HN 0.275 nan 8.370 nan 0.000 0.452 94 A N -0.017 122.808 122.820 0.008 0.000 1.972 94 A HA -0.136 4.185 4.320 0.001 0.000 0.219 94 A C 2.338 179.978 177.584 0.095 0.000 1.169 94 A CA 1.259 53.318 52.037 0.036 0.000 0.635 94 A CB -0.521 18.492 19.000 0.022 0.000 0.810 94 A HN 0.269 nan 8.150 nan 0.000 0.446 95 M N -1.416 118.242 119.600 0.097 0.000 2.175 95 M HA -0.102 4.378 4.480 0.001 0.000 0.264 95 M C 2.144 178.606 176.300 0.269 0.000 1.063 95 M CA 1.243 56.668 55.300 0.208 0.000 1.119 95 M CB -0.326 32.336 32.600 0.102 0.000 1.377 95 M HN 0.467 nan 8.290 nan 0.000 0.415 96 L N 0.229 121.534 121.223 0.136 0.000 2.072 96 L HA -0.101 4.240 4.340 0.001 0.000 0.205 96 L C 2.616 179.527 176.870 0.069 0.000 1.079 96 L CA 2.026 56.925 54.840 0.097 0.000 0.752 96 L CB -0.600 41.482 42.059 0.038 0.000 0.906 96 L HN 0.324 nan 8.230 nan 0.000 0.436 97 S N -1.419 114.316 115.700 0.058 0.000 2.481 97 S HA -0.100 4.370 4.470 0.001 0.000 0.231 97 S C 2.004 176.627 174.600 0.038 0.000 0.996 97 S CA 0.340 58.557 58.200 0.029 0.000 0.942 97 S CB -0.534 62.675 63.200 0.014 0.000 0.768 97 S HN 0.489 nan 8.310 nan 0.000 0.520 98 R N 0.583 121.143 120.500 0.100 0.000 2.299 98 R HA 0.201 4.542 4.340 0.001 0.000 0.197 98 R C 1.565 177.853 176.300 -0.020 0.000 0.971 98 R CA 0.546 56.707 56.100 0.101 0.000 1.030 98 R CB -0.172 30.298 30.300 0.282 0.000 0.932 98 R HN 0.651 nan 8.270 nan 0.000 0.477 99 G N -0.025 108.767 108.800 -0.013 0.000 2.184 99 G HA2 -0.234 3.726 3.960 0.001 0.000 0.206 99 G HA3 -0.234 3.726 3.960 0.001 0.000 0.206 99 G C -0.092 174.714 174.900 -0.156 0.000 0.995 99 G CA -0.628 44.412 45.100 -0.099 0.000 0.651 99 G HN 0.168 nan 8.290 nan 0.000 0.511 100 F N 2.593 122.678 119.950 0.226 0.000 2.438 100 F HA 0.449 4.976 4.527 0.001 0.000 0.360 100 F C 1.848 177.677 175.800 0.047 0.000 1.118 100 F CA 0.646 58.754 58.000 0.180 0.000 1.164 100 F CB 1.280 40.394 39.000 0.190 0.000 1.131 100 F HN 0.087 nan 8.300 nan 0.000 0.527 101 T N -2.344 112.289 114.554 0.131 0.000 3.044 101 T HA 0.199 4.550 4.350 0.001 0.000 0.250 101 T C 0.458 175.172 174.700 0.022 0.000 1.081 101 T CA -0.053 62.067 62.100 0.034 0.000 1.040 101 T CB 0.072 68.916 68.868 -0.039 0.000 0.962 101 T HN 0.320 nan 8.240 nan 0.000 0.506 102 S N 0.975 116.720 115.700 0.075 0.000 2.614 102 S HA 0.624 5.095 4.470 0.001 0.000 0.275 102 S C -0.821 173.815 174.600 0.059 0.000 1.161 102 S CA -0.906 57.292 58.200 -0.004 0.000 0.969 102 S CB 2.165 65.378 63.200 0.022 0.000 1.059 102 S HN 0.551 nan 8.310 nan 0.000 0.482 103 V N 1.112 121.007 119.914 -0.031 0.000 2.769 103 V HA 0.722 4.843 4.120 0.001 0.000 0.312 103 V C -0.352 175.764 176.094 0.036 0.000 1.061 103 V CA -1.158 61.149 62.300 0.012 0.000 0.931 103 V CB 1.765 33.567 31.823 -0.034 0.000 1.010 103 V HN 0.867 nan 8.190 nan 0.000 0.433 104 R N 2.152 122.704 120.500 0.087 0.000 2.233 104 R HA 0.360 4.701 4.340 0.001 0.000 0.334 104 R C -0.663 175.612 176.300 -0.042 0.000 1.037 104 R CA -0.372 55.792 56.100 0.107 0.000 0.920 104 R CB 0.561 30.951 30.300 0.152 0.000 1.137 104 R HN 1.018 nan 8.270 nan 0.000 0.492 105 D N 2.739 123.110 120.400 -0.048 0.000 2.383 105 D HA 0.081 4.721 4.640 0.001 0.000 0.252 105 D C 0.178 176.376 176.300 -0.171 0.000 1.166 105 D CA 0.239 54.169 54.000 -0.117 0.000 0.879 105 D CB 1.254 42.030 40.800 -0.039 0.000 1.164 105 D HN 0.596 nan 8.370 nan 0.000 0.462 106 A N 3.517 126.121 122.820 -0.361 0.000 2.684 106 A HA 0.593 4.914 4.320 0.001 0.000 0.288 106 A C 0.625 178.220 177.584 0.018 0.000 1.337 106 A CA 0.234 52.056 52.037 -0.358 0.000 0.946 106 A CB -0.634 17.764 19.000 -1.003 0.000 1.093 106 A HN 0.807 nan 8.150 nan 0.000 0.543 107 G N -2.308 106.542 108.800 0.083 0.000 3.239 107 G HA2 0.497 4.458 3.960 0.001 0.000 0.666 107 G HA3 0.497 4.458 3.960 0.001 0.000 0.666 107 G C 0.442 175.447 174.900 0.176 0.000 1.313 107 G CA 0.178 45.360 45.100 0.136 0.000 1.001 107 G HN 1.946 nan 8.290 nan 0.000 0.573 108 G N 0.573 109.431 108.800 0.097 0.000 3.145 108 G HA2 0.489 4.450 3.960 0.001 0.000 0.195 108 G HA3 0.489 4.450 3.960 0.001 0.000 0.195 108 G C 0.990 175.927 174.900 0.061 0.000 2.278 108 G CA 1.335 46.484 45.100 0.082 0.000 1.441 108 G HN 2.527 nan 8.290 nan 0.000 0.452 109 A N 1.586 124.440 122.820 0.056 0.000 2.425 109 A HA 0.570 4.890 4.320 0.001 0.000 0.249 109 A C 0.541 178.156 177.584 0.052 0.000 1.084 109 A CA 1.152 53.212 52.037 0.037 0.000 0.781 109 A CB 0.121 19.128 19.000 0.012 0.000 1.019 109 A HN 0.940 nan 8.150 nan 0.000 0.490 110 D N 0.347 120.786 120.400 0.065 0.000 2.577 110 D HA 0.136 4.777 4.640 0.001 0.000 0.248 110 D C 0.668 177.063 176.300 0.158 0.000 1.181 110 D CA -0.418 53.652 54.000 0.116 0.000 1.083 110 D CB -0.377 40.503 40.800 0.134 0.000 1.198 110 D HN 0.559 nan 8.370 nan 0.000 0.626 111 W N 0.090 121.393 121.300 0.006 0.000 2.737 111 W HA 0.100 4.760 4.660 0.001 0.000 0.262 111 W C 1.734 178.254 176.519 0.002 0.000 1.282 111 W CA 1.090 58.439 57.345 0.007 0.000 1.386 111 W CB 0.077 29.543 29.460 0.010 0.000 1.099 111 W HN 0.225 nan 8.180 nan 0.000 0.621 112 S N 1.056 116.814 115.700 0.097 0.000 2.368 112 S HA -0.195 4.276 4.470 0.001 0.000 0.224 112 S C 1.819 176.316 174.600 -0.172 0.000 1.029 112 S CA 1.364 59.518 58.200 -0.077 0.000 0.988 112 S CB -0.765 62.478 63.200 0.072 0.000 0.838 112 S HN 0.306 nan 8.310 nan 0.000 0.462 113 L N 0.706 121.870 121.223 -0.099 0.000 2.217 113 L HA 0.067 4.408 4.340 0.001 0.000 0.211 113 L C 2.508 179.280 176.870 -0.163 0.000 1.107 113 L CA 0.829 55.605 54.840 -0.108 0.000 0.783 113 L CB -0.251 41.773 42.059 -0.059 0.000 0.919 113 L HN 0.384 nan 8.230 nan 0.000 0.442 114 M N -1.267 118.208 119.600 -0.209 0.000 2.254 114 M HA -0.192 4.289 4.480 0.001 0.000 0.265 114 M C 2.193 178.285 176.300 -0.347 0.000 1.066 114 M CA 1.403 56.552 55.300 -0.252 0.000 1.123 114 M CB 0.067 32.538 32.600 -0.216 0.000 1.388 114 M HN 0.242 nan 8.290 nan 0.000 0.425 115 Q N -0.034 119.458 119.800 -0.514 0.000 2.049 115 Q HA -0.044 4.296 4.340 0.001 0.000 0.198 115 Q C 2.133 177.962 176.000 -0.284 0.000 0.971 115 Q CA 1.793 57.296 55.803 -0.500 0.000 0.833 115 Q CB -0.611 27.689 28.738 -0.729 0.000 0.896 115 Q HN 0.636 nan 8.270 nan 0.000 0.434 116 A N 0.960 123.640 122.820 -0.232 0.000 1.972 116 A HA -0.137 4.184 4.320 0.001 0.000 0.219 116 A C 2.258 179.768 177.584 -0.124 0.000 1.169 116 A CA 1.882 53.829 52.037 -0.149 0.000 0.635 116 A CB -0.722 18.207 19.000 -0.118 0.000 0.810 116 A HN 0.297 nan 8.150 nan 0.000 0.446 117 V N -2.987 116.845 119.914 -0.136 0.000 2.719 117 V HA -0.058 4.062 4.120 0.001 0.000 0.252 117 V C 1.646 177.672 176.094 -0.112 0.000 1.065 117 V CA 2.023 64.254 62.300 -0.115 0.000 1.086 117 V CB -0.613 31.137 31.823 -0.121 0.000 0.700 117 V HN 0.562 nan 8.190 nan 0.000 0.467 118 E N 1.114 121.234 120.200 -0.134 0.000 2.340 118 E HA -0.010 4.341 4.350 0.001 0.000 0.194 118 E C 2.118 178.662 176.600 -0.093 0.000 0.996 118 E CA 1.080 57.412 56.400 -0.113 0.000 0.869 118 E CB 0.151 29.775 29.700 -0.126 0.000 0.835 118 E HN 0.865 nan 8.360 nan 0.000 0.493 119 T N -2.836 111.656 114.554 -0.104 0.000 3.081 119 T HA 0.200 4.550 4.350 0.001 0.000 0.250 119 T C 1.530 176.192 174.700 -0.063 0.000 1.100 119 T CA 0.399 62.451 62.100 -0.079 0.000 1.038 119 T CB 0.554 69.370 68.868 -0.087 0.000 0.962 119 T HN 0.197 nan 8.240 nan 0.000 0.516 120 G N 1.030 109.790 108.800 -0.068 0.000 2.143 120 G HA2 -0.217 3.743 3.960 0.001 0.000 0.248 120 G HA3 -0.217 3.743 3.960 0.001 0.000 0.248 120 G C 0.472 175.342 174.900 -0.050 0.000 0.991 120 G CA 0.283 45.350 45.100 -0.054 0.000 0.689 120 G HN 0.480 nan 8.290 nan 0.000 0.522 121 L N -0.675 120.513 121.223 -0.059 0.000 2.291 121 L HA 0.340 4.680 4.340 0.001 0.000 0.214 121 L C 1.294 178.135 176.870 -0.049 0.000 1.120 121 L CA 1.231 56.040 54.840 -0.051 0.000 0.799 121 L CB 0.327 42.351 42.059 -0.058 0.000 0.925 121 L HN 0.222 nan 8.230 nan 0.000 0.446 122 V N -1.643 118.237 119.914 -0.057 0.000 2.709 122 V HA 0.322 4.443 4.120 0.001 0.000 0.308 122 V C -0.195 175.869 176.094 -0.050 0.000 1.062 122 V CA -0.792 61.477 62.300 -0.053 0.000 0.901 122 V CB 2.025 33.811 31.823 -0.061 0.000 1.003 122 V HN -0.059 nan 8.190 nan 0.000 0.425 123 S N 2.608 118.284 115.700 -0.040 0.000 2.489 123 S HA 0.801 5.271 4.470 0.001 0.000 0.277 123 S C 0.201 174.779 174.600 -0.036 0.000 1.230 123 S CA 0.524 58.703 58.200 -0.035 0.000 1.053 123 S CB 0.393 63.578 63.200 -0.026 0.000 0.955 123 S HN 1.357 nan 8.310 nan 0.000 0.488 124 G N 4.541 113.318 108.800 -0.038 0.000 2.320 124 G HA2 0.395 4.355 3.960 0.001 0.000 0.296 124 G HA3 0.395 4.355 3.960 0.001 0.000 0.296 124 G C -3.517 171.360 174.900 -0.038 0.000 1.306 124 G CA -0.820 44.259 45.100 -0.034 0.000 0.836 124 G HN 0.487 nan 8.290 nan 0.000 0.517 125 P HA 0.318 nan 4.420 nan 0.000 0.274 125 P C -0.467 176.765 177.300 -0.114 0.000 1.246 125 P CA -0.497 62.577 63.100 -0.043 0.000 0.795 125 P CB 0.927 32.628 31.700 0.002 0.000 1.006 126 R N 1.711 122.111 120.500 -0.167 0.000 2.401 126 R HA 0.272 4.613 4.340 0.001 0.000 0.299 126 R C -0.263 175.780 176.300 -0.429 0.000 1.064 126 R CA -0.201 55.724 56.100 -0.291 0.000 1.000 126 R CB -0.531 29.570 30.300 -0.331 0.000 0.973 126 R HN 0.383 nan 8.270 nan 0.000 0.438 127 I N 5.385 125.725 120.570 -0.383 0.000 2.396 127 I HA 0.180 4.350 4.170 0.001 0.000 0.292 127 I C -0.412 175.450 176.117 -0.425 0.000 0.999 127 I CA -0.372 60.739 61.300 -0.315 0.000 1.310 127 I CB 1.054 38.961 38.000 -0.154 0.000 1.404 127 I HN 0.564 nan 8.210 nan 0.000 0.496 128 F N 7.159 127.107 119.950 -0.002 0.000 2.307 128 F HA 0.339 4.867 4.527 0.001 0.000 0.369 128 F C -2.048 173.745 175.800 -0.012 0.000 1.076 128 F CA -2.269 55.734 58.000 0.006 0.000 1.149 128 F CB 0.818 39.830 39.000 0.021 0.000 1.410 128 F HN 0.218 nan 8.300 nan 0.000 0.481 129 P HA 0.160 nan 4.420 nan 0.000 0.277 129 P C -0.167 177.164 177.300 0.051 0.000 1.240 129 P CA -0.329 62.819 63.100 0.080 0.000 0.798 129 P CB 1.900 33.654 31.700 0.090 0.000 0.979 130 S N 0.141 115.851 115.700 0.017 0.000 2.523 130 S HA 0.319 4.790 4.470 0.001 0.000 0.217 130 S C 1.236 175.838 174.600 0.004 0.000 0.996 130 S CA 0.352 58.543 58.200 -0.014 0.000 0.921 130 S CB -0.162 63.017 63.200 -0.034 0.000 0.829 130 S HN 0.879 nan 8.310 nan 0.000 0.495 131 G N 2.602 111.421 108.800 0.030 0.000 2.609 131 G HA2 -0.242 3.719 3.960 0.001 0.000 0.288 131 G HA3 -0.242 3.719 3.960 0.001 0.000 0.288 131 G C -0.604 174.315 174.900 0.031 0.000 1.211 131 G CA -0.006 45.115 45.100 0.036 0.000 0.963 131 G HN 0.343 nan 8.290 nan 0.000 0.541 132 K N 1.450 121.859 120.400 0.016 0.000 2.270 132 K HA 0.744 5.065 4.320 0.001 0.000 0.255 132 K C 0.448 177.054 176.600 0.010 0.000 0.936 132 K CA 0.052 56.348 56.287 0.015 0.000 0.809 132 K CB 1.827 34.327 32.500 -0.000 0.000 1.131 132 K HN 1.123 nan 8.250 nan 0.000 0.427 133 A N 3.446 126.278 122.820 0.021 0.000 2.466 133 A HA 0.255 4.576 4.320 0.001 0.000 0.238 133 A C 0.055 177.654 177.584 0.024 0.000 1.074 133 A CA -0.123 51.930 52.037 0.027 0.000 0.774 133 A CB 0.046 19.071 19.000 0.041 0.000 1.015 133 A HN 0.648 nan 8.150 nan 0.000 0.498 134 L N 1.898 123.155 121.223 0.057 0.000 2.275 134 L HA 0.500 4.840 4.340 0.001 0.000 0.288 134 L C 0.440 177.437 176.870 0.212 0.000 1.046 134 L CA -0.114 54.791 54.840 0.108 0.000 0.805 134 L CB 1.309 43.416 42.059 0.081 0.000 1.193 134 L HN 0.700 nan 8.230 nan 0.000 0.426 135 S N 2.000 117.775 115.700 0.126 0.000 2.548 135 S HA 0.492 4.963 4.470 0.001 0.000 0.286 135 S C -0.718 173.792 174.600 -0.150 0.000 1.098 135 S CA -0.744 57.441 58.200 -0.024 0.000 0.930 135 S CB 1.903 65.019 63.200 -0.139 0.000 1.070 135 S HN 0.644 nan 8.310 nan 0.000 0.480 136 Q N 1.293 120.791 119.800 -0.503 0.000 2.318 136 Q HA 0.502 4.842 4.340 0.001 0.000 0.222 136 Q C -0.407 175.455 176.000 -0.230 0.000 1.003 136 Q CA -0.663 54.877 55.803 -0.438 0.000 0.936 136 Q CB -0.203 28.119 28.738 -0.695 0.000 1.204 136 Q HN 0.453 nan 8.270 nan 0.000 0.524 137 T N 1.298 115.762 114.554 -0.150 0.000 2.831 137 T HA 0.296 4.647 4.350 0.001 0.000 0.291 137 T C 1.070 175.708 174.700 -0.104 0.000 0.981 137 T CA 1.001 63.039 62.100 -0.104 0.000 1.174 137 T CB -0.226 68.603 68.868 -0.065 0.000 0.929 137 T HN 0.979 nan 8.240 nan 0.000 0.532 138 G N 2.699 111.442 108.800 -0.095 0.000 2.155 138 G HA2 -0.166 3.794 3.960 0.001 0.000 0.257 138 G HA3 -0.166 3.794 3.960 0.001 0.000 0.257 138 G C 0.522 175.373 174.900 -0.083 0.000 0.983 138 G CA -0.026 45.030 45.100 -0.074 0.000 0.676 138 G HN 1.120 nan 8.290 nan 0.000 0.528 139 G N -1.707 107.016 108.800 -0.128 0.000 2.510 139 G HA2 0.448 4.409 3.960 0.001 0.000 0.280 139 G HA3 0.448 4.409 3.960 0.001 0.000 0.280 139 G C 0.584 175.431 174.900 -0.089 0.000 1.386 139 G CA 0.450 45.481 45.100 -0.116 0.000 1.047 139 G HN 0.494 nan 8.290 nan 0.000 0.527 140 H N -1.033 117.935 119.070 -0.169 0.000 2.547 140 H HA 0.093 4.650 4.556 0.001 0.000 0.272 140 H C 2.152 177.279 175.328 -0.336 0.000 0.989 140 H CA 1.326 57.272 56.048 -0.171 0.000 1.214 140 H CB -0.011 29.671 29.762 -0.134 0.000 1.389 140 H HN 0.400 nan 8.280 nan 0.000 0.577 141 G N -1.185 107.315 108.800 -0.500 0.000 3.159 141 G HA2 -0.041 3.919 3.960 0.001 0.000 0.232 141 G HA3 -0.041 3.919 3.960 0.001 0.000 0.232 141 G C -0.036 174.254 174.900 -1.017 0.000 1.116 141 G CA -0.163 44.449 45.100 -0.813 0.000 0.767 141 G HN 0.313 nan 8.290 nan 0.000 0.547 142 D N 0.598 120.600 120.400 -0.662 0.000 2.365 142 D HA 0.192 4.833 4.640 0.001 0.000 0.237 142 D C -0.182 175.873 176.300 -0.407 0.000 1.190 142 D CA -0.489 53.246 54.000 -0.441 0.000 0.867 142 D CB 0.514 41.183 40.800 -0.218 0.000 1.050 142 D HN 0.043 nan 8.370 nan 0.000 0.491 143 F N 2.219 122.143 119.950 -0.044 0.000 2.660 143 F HA 0.239 4.767 4.527 0.001 0.000 0.302 143 F C 1.325 177.113 175.800 -0.019 0.000 1.103 143 F CA -0.410 57.569 58.000 -0.035 0.000 1.340 143 F CB -0.058 38.915 39.000 -0.045 0.000 1.048 143 F HN 0.020 nan 8.300 nan 0.000 0.551 144 R N 2.630 123.187 120.500 0.094 0.000 2.442 144 R HA 0.146 4.487 4.340 0.001 0.000 0.291 144 R C -1.991 174.343 176.300 0.055 0.000 1.069 144 R CA -1.378 54.759 56.100 0.062 0.000 1.022 144 R CB 0.009 30.323 30.300 0.023 0.000 0.976 144 R HN -0.003 nan 8.270 nan 0.000 0.443 145 P HA 0.019 nan 4.420 nan 0.000 0.282 145 P C -0.193 177.124 177.300 0.028 0.000 1.286 145 P CA -0.268 62.858 63.100 0.043 0.000 0.777 145 P CB 0.610 32.332 31.700 0.036 0.000 1.184 146 R N -0.697 119.818 120.500 0.024 0.000 2.339 146 R HA 0.027 4.368 4.340 0.001 0.000 0.199 146 R C 1.993 178.301 176.300 0.013 0.000 1.018 146 R CA 1.007 57.117 56.100 0.016 0.000 1.036 146 R CB -1.001 29.308 30.300 0.015 0.000 0.899 146 R HN 0.653 nan 8.270 nan 0.000 0.473 147 G N -0.320 108.489 108.800 0.015 0.000 2.662 147 G HA2 -0.159 3.801 3.960 0.001 0.000 0.215 147 G HA3 -0.159 3.801 3.960 0.001 0.000 0.215 147 G C -0.238 174.669 174.900 0.011 0.000 1.310 147 G CA 0.527 45.635 45.100 0.013 0.000 0.849 147 G HN 0.312 nan 8.290 nan 0.000 0.568 148 D N -1.591 118.817 120.400 0.012 0.000 2.490 148 D HA 0.576 5.217 4.640 0.001 0.000 0.232 148 D C -0.979 175.326 176.300 0.009 0.000 1.053 148 D CA -0.555 53.451 54.000 0.010 0.000 0.914 148 D CB 2.011 42.817 40.800 0.011 0.000 1.431 148 D HN -0.012 nan 8.370 nan 0.000 0.483 149 L N 2.720 123.947 121.223 0.006 0.000 2.387 149 L HA 0.437 4.777 4.340 0.001 0.000 0.259 149 L C -0.790 176.082 176.870 0.004 0.000 1.050 149 L CA -0.324 54.517 54.840 0.003 0.000 0.922 149 L CB 0.582 42.640 42.059 -0.002 0.000 1.280 149 L HN 0.192 nan 8.230 nan 0.000 0.449 150 L N 1.890 123.118 121.223 0.008 0.000 2.331 150 L HA 0.394 4.734 4.340 0.001 0.000 0.275 150 L C 0.261 177.136 176.870 0.009 0.000 1.022 150 L CA -0.765 54.081 54.840 0.010 0.000 0.812 150 L CB 2.084 44.152 42.059 0.014 0.000 1.257 150 L HN 0.459 nan 8.230 nan 0.000 0.435 151 E N 3.832 124.037 120.200 0.009 0.000 2.383 151 E HA 0.042 4.393 4.350 0.001 0.000 0.257 151 E C -2.067 174.539 176.600 0.012 0.000 1.079 151 E CA -1.183 55.220 56.400 0.006 0.000 0.934 151 E CB -0.080 29.624 29.700 0.007 0.000 0.978 151 E HN 0.229 nan 8.360 nan 0.000 0.462 152 P HA 0.061 nan 4.420 nan 0.000 0.241 152 P C 0.546 177.844 177.300 -0.003 0.000 1.780 152 P CA -0.358 62.750 63.100 0.012 0.000 1.111 152 P CB -0.220 31.483 31.700 0.005 0.000 1.852 153 C N 0.430 119.740 119.300 0.016 0.000 2.437 153 C HA -0.070 4.390 4.460 0.001 0.000 0.283 153 C C 2.279 177.250 174.990 -0.033 0.000 1.424 153 C CA 0.714 59.721 59.018 -0.018 0.000 1.782 153 C CB -1.766 26.012 27.740 0.063 0.000 1.833 153 C HN 0.454 nan 8.230 nan 0.000 0.532 154 S N 0.053 115.813 115.700 0.100 0.000 2.447 154 S HA -0.152 4.319 4.470 0.001 0.000 0.233 154 S C 1.627 176.261 174.600 0.056 0.000 1.006 154 S CA 1.425 59.733 58.200 0.180 0.000 0.957 154 S CB -1.364 61.931 63.200 0.157 0.000 0.773 154 S HN 0.781 nan 8.310 nan 0.000 0.507 155 C N 1.397 120.684 119.300 -0.022 0.000 2.411 155 C HA -0.080 4.381 4.460 0.001 0.000 0.279 155 C C 2.935 177.880 174.990 -0.074 0.000 1.288 155 C CA 0.604 59.603 59.018 -0.033 0.000 1.764 155 C CB -1.755 25.959 27.740 -0.044 0.000 1.974 155 C HN 0.783 nan 8.230 nan 0.000 0.498 156 C N -1.035 118.144 119.300 -0.202 0.000 2.485 156 C HA 0.071 4.532 4.460 0.001 0.000 0.278 156 C C 2.303 177.207 174.990 -0.144 0.000 1.356 156 C CA 0.264 59.135 59.018 -0.244 0.000 1.747 156 C CB -1.658 25.822 27.740 -0.434 0.000 2.001 156 C HN 0.575 nan 8.230 nan 0.000 0.501 157 F N 0.920 120.879 119.950 0.016 0.000 2.187 157 F HA 0.037 4.565 4.527 0.001 0.000 0.295 157 F C 1.455 177.266 175.800 0.019 0.000 1.091 157 F CA 0.238 58.248 58.000 0.016 0.000 1.308 157 F CB -0.146 38.862 39.000 0.013 0.000 1.030 157 F HN -0.024 nan 8.300 nan 0.000 0.487 158 R N 1.658 122.278 120.500 0.200 0.000 2.404 158 R HA 0.007 4.348 4.340 0.001 0.000 0.315 158 R C 1.227 177.580 176.300 0.089 0.000 1.032 158 R CA 0.426 56.598 56.100 0.121 0.000 0.992 158 R CB -0.391 29.965 30.300 0.093 0.000 0.959 158 R HN 0.255 nan 8.270 nan 0.000 0.428 159 T N -1.110 113.491 114.554 0.077 0.000 3.035 159 T HA -0.054 4.296 4.350 0.001 0.000 0.268 159 T C 1.687 176.414 174.700 0.045 0.000 1.109 159 T CA 0.991 63.128 62.100 0.061 0.000 1.119 159 T CB 0.138 69.039 68.868 0.054 0.000 0.900 159 T HN 0.572 nan 8.240 nan 0.000 0.503 160 G N 0.887 109.710 108.800 0.039 0.000 2.920 160 G HA2 0.453 4.414 3.960 0.001 0.000 0.208 160 G HA3 0.453 4.414 3.960 0.001 0.000 0.208 160 G C 0.587 175.503 174.900 0.027 0.000 1.159 160 G CA 0.019 45.133 45.100 0.023 0.000 0.784 160 G HN 0.829 nan 8.290 nan 0.000 0.535 161 A N 0.580 123.430 122.820 0.049 0.000 2.450 161 A HA 0.525 4.846 4.320 0.001 0.000 0.255 161 A C 1.201 178.821 177.584 0.060 0.000 1.096 161 A CA -0.360 51.721 52.037 0.072 0.000 0.778 161 A CB 0.459 19.499 19.000 0.067 0.000 1.031 161 A HN 0.067 nan 8.150 nan 0.000 0.494 162 I N 1.059 121.678 120.570 0.082 0.000 2.585 162 I HA 0.103 4.273 4.170 0.001 0.000 0.254 162 I C 1.454 177.589 176.117 0.031 0.000 1.129 162 I CA 1.488 62.810 61.300 0.036 0.000 1.455 162 I CB -1.501 36.473 38.000 -0.043 0.000 1.111 162 I HN 0.655 nan 8.210 nan 0.000 0.433 163 A N 1.614 124.443 122.820 0.015 0.000 2.387 163 A HA 0.810 5.131 4.320 0.001 0.000 0.298 163 A C -0.018 177.540 177.584 -0.044 0.000 1.165 163 A CA -0.571 51.441 52.037 -0.041 0.000 0.814 163 A CB 1.555 20.475 19.000 -0.133 0.000 1.357 163 A HN 0.288 nan 8.150 nan 0.000 0.443 164 R N -0.885 119.584 120.500 -0.051 0.000 2.837 164 R HA 0.751 5.091 4.340 0.001 0.000 0.271 164 R C -1.873 174.393 176.300 -0.057 0.000 0.993 164 R CA -0.771 55.296 56.100 -0.055 0.000 0.931 164 R CB 1.495 31.767 30.300 -0.048 0.000 1.206 164 R HN 0.298 nan 8.270 nan 0.000 0.474 165 V N 2.115 121.993 119.914 -0.060 0.000 2.350 165 V HA 0.423 4.544 4.120 0.001 0.000 0.276 165 V C -0.272 175.813 176.094 -0.014 0.000 1.028 165 V CA -0.560 61.709 62.300 -0.051 0.000 0.860 165 V CB 1.108 32.886 31.823 -0.075 0.000 0.990 165 V HN 0.619 nan 8.190 nan 0.000 0.453 166 V N 1.560 121.497 119.914 0.037 0.000 2.686 166 V HA 0.776 4.897 4.120 0.001 0.000 0.306 166 V C -1.155 175.022 176.094 0.137 0.000 1.065 166 V CA -0.827 61.511 62.300 0.064 0.000 0.894 166 V CB 2.018 33.873 31.823 0.054 0.000 1.004 166 V HN 0.758 nan 8.190 nan 0.000 0.424 167 D N 1.790 122.246 120.400 0.093 0.000 2.527 167 D HA 0.855 5.496 4.640 0.001 0.000 0.233 167 D C 0.198 176.549 176.300 0.085 0.000 1.063 167 D CA 0.498 54.569 54.000 0.120 0.000 0.880 167 D CB 1.849 42.680 40.800 0.050 0.000 1.457 167 D HN 1.447 nan 8.370 nan 0.000 0.475 168 G N -0.864 107.992 108.800 0.094 0.000 2.712 168 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 168 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 168 G C 0.530 175.447 174.900 0.029 0.000 1.181 168 G CA -0.512 44.618 45.100 0.050 0.000 0.762 168 G HN 0.408 nan 8.290 nan 0.000 0.641 169 V N 1.554 121.476 119.914 0.013 0.000 2.295 169 V HA -0.155 3.966 4.120 0.001 0.000 0.246 169 V C 2.676 178.759 176.094 -0.017 0.000 1.049 169 V CA 2.783 65.078 62.300 -0.009 0.000 1.024 169 V CB -0.437 31.382 31.823 -0.006 0.000 0.648 169 V HN 0.808 nan 8.190 nan 0.000 0.447 170 E N 0.459 120.654 120.200 -0.009 0.000 2.150 170 E HA -0.116 4.235 4.350 0.001 0.000 0.193 170 E C 2.318 178.910 176.600 -0.014 0.000 0.985 170 E CA 1.332 57.725 56.400 -0.012 0.000 0.814 170 E CB -0.501 29.195 29.700 -0.007 0.000 0.752 170 E HN 0.638 nan 8.360 nan 0.000 0.466 171 G N 1.726 110.523 108.800 -0.006 0.000 2.403 171 G HA2 -0.174 3.787 3.960 0.001 0.000 0.216 171 G HA3 -0.174 3.787 3.960 0.001 0.000 0.216 171 G C 1.840 176.733 174.900 -0.011 0.000 1.154 171 G CA 1.162 46.260 45.100 -0.003 0.000 0.784 171 G HN 0.297 nan 8.290 nan 0.000 0.538 172 V N -1.318 118.583 119.914 -0.022 0.000 2.788 172 V HA 0.184 4.304 4.120 0.001 0.000 0.251 172 V C 2.432 178.486 176.094 -0.065 0.000 1.068 172 V CA 1.554 63.820 62.300 -0.057 0.000 1.090 172 V CB -0.415 31.327 31.823 -0.135 0.000 0.710 172 V HN 0.316 nan 8.190 nan 0.000 0.467 173 R N 0.003 120.471 120.500 -0.053 0.000 2.081 173 R HA -0.107 4.234 4.340 0.001 0.000 0.235 173 R C 2.262 178.537 176.300 -0.041 0.000 1.131 173 R CA 2.008 58.080 56.100 -0.047 0.000 0.960 173 R CB -0.385 29.894 30.300 -0.036 0.000 0.856 173 R HN 0.531 nan 8.270 nan 0.000 0.436 174 L N 0.795 121.997 121.223 -0.035 0.000 2.027 174 L HA -0.016 4.325 4.340 0.001 0.000 0.206 174 L C 2.297 179.144 176.870 -0.038 0.000 1.074 174 L CA 2.161 56.981 54.840 -0.033 0.000 0.745 174 L CB -0.708 41.334 42.059 -0.028 0.000 0.898 174 L HN 0.249 nan 8.230 nan 0.000 0.433 175 A N -1.259 121.538 122.820 -0.039 0.000 1.972 175 A HA -0.125 4.196 4.320 0.001 0.000 0.219 175 A C 2.243 179.800 177.584 -0.046 0.000 1.169 175 A CA 1.859 53.872 52.037 -0.041 0.000 0.635 175 A CB -1.002 17.978 19.000 -0.033 0.000 0.810 175 A HN 0.322 nan 8.150 nan 0.000 0.446 176 V N -0.142 119.740 119.914 -0.052 0.000 2.307 176 V HA -0.257 3.864 4.120 0.001 0.000 0.245 176 V C 2.599 178.663 176.094 -0.050 0.000 1.045 176 V CA 2.199 64.466 62.300 -0.055 0.000 1.024 176 V CB -0.804 30.982 31.823 -0.063 0.000 0.651 176 V HN 0.532 nan 8.190 nan 0.000 0.449 177 R N -0.141 120.332 120.500 -0.046 0.000 2.091 177 R HA -0.216 4.125 4.340 0.001 0.000 0.238 177 R C 2.326 178.598 176.300 -0.047 0.000 1.136 177 R CA 1.926 58.000 56.100 -0.043 0.000 0.959 177 R CB -0.333 29.944 30.300 -0.038 0.000 0.856 177 R HN 0.622 nan 8.270 nan 0.000 0.437 178 E N 0.018 120.190 120.200 -0.046 0.000 2.077 178 E HA -0.187 4.163 4.350 0.001 0.000 0.193 178 E C 1.974 178.544 176.600 -0.049 0.000 0.989 178 E CA 0.978 57.349 56.400 -0.049 0.000 0.800 178 E CB 0.105 29.776 29.700 -0.050 0.000 0.746 178 E HN 0.244 nan 8.360 nan 0.000 0.452 179 E N 0.429 120.602 120.200 -0.045 0.000 2.072 179 E HA -0.104 4.247 4.350 0.001 0.000 0.190 179 E C 2.119 178.695 176.600 -0.039 0.000 0.982 179 E CA 0.587 56.965 56.400 -0.037 0.000 0.803 179 E CB -0.113 29.567 29.700 -0.034 0.000 0.755 179 E HN 0.288 nan 8.360 nan 0.000 0.453 180 I N 1.379 121.921 120.570 -0.046 0.000 2.394 180 I HA -0.298 3.873 4.170 0.001 0.000 0.251 180 I C 2.537 178.614 176.117 -0.066 0.000 1.136 180 I CA 1.181 62.453 61.300 -0.047 0.000 1.425 180 I CB 0.015 37.988 38.000 -0.045 0.000 1.079 180 I HN 0.074 nan 8.210 nan 0.000 0.425 181 Q N 0.978 120.733 119.800 -0.076 0.000 2.230 181 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 181 Q C 1.814 177.721 176.000 -0.155 0.000 0.963 181 Q CA 1.516 57.255 55.803 -0.107 0.000 0.866 181 Q CB -0.324 28.362 28.738 -0.088 0.000 0.931 181 Q HN 0.263 nan 8.270 nan 0.000 0.452 182 K N -0.312 120.019 120.400 -0.116 0.000 2.439 182 K HA 0.099 4.420 4.320 0.001 0.000 0.197 182 K C 0.374 176.888 176.600 -0.142 0.000 1.041 182 K CA 0.595 56.811 56.287 -0.119 0.000 0.970 182 K CB -0.001 32.476 32.500 -0.038 0.000 0.773 182 K HN 0.511 nan 8.250 nan 0.000 0.479 183 G N 0.562 109.288 108.800 -0.124 0.000 2.145 183 G HA2 -0.199 3.761 3.960 0.001 0.000 0.176 183 G HA3 -0.199 3.761 3.960 0.001 0.000 0.176 183 G C -0.013 174.962 174.900 0.125 0.000 1.013 183 G CA -0.155 44.909 45.100 -0.060 0.000 0.689 183 G HN 0.390 nan 8.290 nan 0.000 0.506 184 A N -0.010 122.846 122.820 0.060 0.000 2.407 184 A HA 0.721 5.041 4.320 0.001 0.000 0.248 184 A C 1.650 179.265 177.584 0.052 0.000 1.082 184 A CA 1.265 53.339 52.037 0.061 0.000 0.785 184 A CB 0.380 19.385 19.000 0.009 0.000 1.020 184 A HN 1.450 nan 8.150 nan 0.000 0.489 185 T N -0.871 113.722 114.554 0.065 0.000 3.009 185 T HA 0.128 4.478 4.350 0.001 0.000 0.258 185 T C 0.674 175.327 174.700 -0.078 0.000 1.063 185 T CA 0.980 63.105 62.100 0.042 0.000 1.139 185 T CB -0.112 68.833 68.868 0.128 0.000 0.890 185 T HN 0.877 nan 8.240 nan 0.000 0.471 186 Q N -0.008 119.699 119.800 -0.155 0.000 2.605 186 Q HA 0.566 4.907 4.340 0.001 0.000 0.296 186 Q C -1.390 174.455 176.000 -0.258 0.000 1.056 186 Q CA -1.093 54.488 55.803 -0.370 0.000 0.778 186 Q CB 1.372 29.629 28.738 -0.802 0.000 1.497 186 Q HN 0.169 nan 8.270 nan 0.000 0.443 190 M N 3.088 122.856 119.600 0.280 0.000 2.055 190 M HA 0.464 4.945 4.480 0.001 0.000 0.346 190 M C 0.731 177.213 176.300 0.304 0.000 1.074 190 M CA -0.315 55.152 55.300 0.277 0.000 1.009 190 M CB 0.600 33.298 32.600 0.164 0.000 1.423 190 M HN 0.944 nan 8.290 nan 0.000 0.410 191 A N 2.703 125.687 122.820 0.273 0.000 2.072 191 A HA 0.165 4.485 4.320 0.001 0.000 0.216 191 A C 1.064 178.736 177.584 0.146 0.000 1.156 191 A CA 1.111 53.271 52.037 0.205 0.000 0.701 191 A CB 0.173 19.251 19.000 0.131 0.000 0.816 191 A HN 0.754 nan 8.150 nan 0.000 0.458 192 S N -2.427 113.370 115.700 0.162 0.000 2.671 192 S HA 0.594 5.065 4.470 0.001 0.000 0.277 192 S C 0.141 174.831 174.600 0.150 0.000 1.165 192 S CA -0.117 58.148 58.200 0.108 0.000 0.822 192 S CB 0.682 63.911 63.200 0.048 0.000 1.150 192 S HN 0.973 nan 8.310 nan 0.000 0.479 193 G N -0.240 108.614 108.800 0.091 0.000 2.380 193 G HA2 0.496 4.456 3.960 0.001 0.000 0.242 193 G HA3 0.496 4.456 3.960 0.001 0.000 0.242 193 G C 0.375 175.309 174.900 0.056 0.000 1.298 193 G CA 0.032 45.168 45.100 0.060 0.000 0.878 193 G HN 1.098 nan 8.290 nan 0.000 0.542 194 G N -0.423 108.226 108.800 -0.252 0.000 3.217 194 G HA2 0.446 4.406 3.960 0.001 0.000 0.213 194 G HA3 0.446 4.406 3.960 0.001 0.000 0.213 194 G C 0.555 175.392 174.900 -0.105 0.000 1.294 194 G CA 0.096 44.951 45.100 -0.409 0.000 0.987 194 G HN 0.532 nan 8.290 nan 0.000 0.584 195 V N 0.406 120.374 119.914 0.090 0.000 2.521 195 V HA 0.244 4.364 4.120 0.001 0.000 0.239 195 V C 2.313 178.565 176.094 0.264 0.000 1.053 195 V CA 1.556 63.960 62.300 0.174 0.000 1.073 195 V CB 0.170 32.099 31.823 0.176 0.000 0.746 195 V HN 0.735 nan 8.190 nan 0.000 0.476 196 A N 1.064 124.137 122.820 0.421 0.000 3.105 196 A HA 0.533 4.854 4.320 0.001 0.000 0.272 196 A C 0.487 178.271 177.584 0.333 0.000 1.466 196 A CA 0.419 52.627 52.037 0.285 0.000 1.101 196 A CB -0.681 18.427 19.000 0.180 0.000 1.065 196 A HN 0.555 nan 8.150 nan 0.000 0.643 197 S N -1.206 114.712 115.700 0.363 0.000 2.564 197 S HA 0.674 5.144 4.470 0.001 0.000 0.274 197 S C -2.385 172.344 174.600 0.215 0.000 1.124 197 S CA -1.073 57.334 58.200 0.345 0.000 0.869 197 S CB 2.053 65.430 63.200 0.295 0.000 1.105 197 S HN 0.064 nan 8.310 nan 0.000 0.472 198 P HA 0.016 nan 4.420 nan 0.000 0.222 198 P C 1.256 178.601 177.300 0.075 0.000 1.153 198 P CA 1.256 64.420 63.100 0.107 0.000 0.798 198 P CB -0.260 31.497 31.700 0.094 0.000 0.796 199 T N -3.523 111.071 114.554 0.068 0.000 3.037 199 T HA 0.041 4.392 4.350 0.001 0.000 0.252 199 T C 0.541 175.260 174.700 0.033 0.000 1.073 199 T CA -0.149 61.973 62.100 0.038 0.000 1.091 199 T CB -0.466 68.413 68.868 0.018 0.000 0.935 199 T HN 0.129 nan 8.240 nan 0.000 0.488 200 D N 2.343 122.773 120.400 0.050 0.000 2.256 200 D HA 0.414 5.054 4.640 0.001 0.000 0.240 200 D C -3.198 173.121 176.300 0.033 0.000 1.062 200 D CA -2.202 51.820 54.000 0.038 0.000 0.832 200 D CB 1.983 42.809 40.800 0.043 0.000 1.135 200 D HN 0.083 nan 8.370 nan 0.000 0.484 201 P HA 0.125 nan 4.420 nan 0.000 0.272 201 P C 1.325 178.624 177.300 -0.001 0.000 1.223 201 P CA -0.518 62.581 63.100 -0.002 0.000 0.784 201 P CB 0.745 32.440 31.700 -0.009 0.000 0.923 202 I N -0.552 120.000 120.570 -0.030 0.000 2.454 202 I HA -0.164 4.007 4.170 0.001 0.000 0.254 202 I C 1.683 177.803 176.117 0.006 0.000 1.156 202 I CA 1.641 62.924 61.300 -0.029 0.000 1.433 202 I CB -0.925 36.956 38.000 -0.199 0.000 1.082 202 I HN 0.171 nan 8.210 nan 0.000 0.432 203 A N 2.476 125.287 122.820 -0.015 0.000 1.874 203 A HA -0.034 4.287 4.320 0.001 0.000 0.214 203 A C 1.332 178.923 177.584 0.011 0.000 1.189 203 A CA 0.975 53.008 52.037 -0.007 0.000 0.615 203 A CB -0.852 18.135 19.000 -0.021 0.000 0.830 203 A HN 0.713 nan 8.150 nan 0.000 0.443 204 N N 1.021 119.727 118.700 0.011 0.000 2.525 204 N HA 0.176 4.916 4.740 0.001 0.000 0.271 204 N C -0.133 175.390 175.510 0.023 0.000 1.194 204 N CA 0.547 53.605 53.050 0.013 0.000 0.964 204 N CB 0.571 39.061 38.487 0.006 0.000 1.126 204 N HN 0.285 nan 8.380 nan 0.000 0.452 205 T N -1.185 113.383 114.554 0.023 0.000 2.904 205 T HA 0.224 4.574 4.350 0.001 0.000 0.290 205 T C -0.051 174.663 174.700 0.023 0.000 1.018 205 T CA -0.582 61.537 62.100 0.033 0.000 1.075 205 T CB 1.317 70.207 68.868 0.037 0.000 0.986 205 T HN 0.595 nan 8.240 nan 0.000 0.523 206 Q N 0.488 120.308 119.800 0.035 0.000 2.351 206 Q HA 0.480 4.820 4.340 0.001 0.000 0.273 206 Q C -1.360 174.682 176.000 0.070 0.000 1.077 206 Q CA -1.006 54.786 55.803 -0.018 0.000 0.843 206 Q CB 1.861 30.559 28.738 -0.067 0.000 1.367 206 Q HN 0.840 nan 8.270 nan 0.000 0.449 207 Y N -0.464 119.849 120.300 0.021 0.000 2.531 207 Y HA -0.296 4.255 4.550 0.001 0.000 0.024 207 Y C 0.217 176.124 175.900 0.011 0.000 1.726 207 Y CA 0.160 58.268 58.100 0.014 0.000 1.401 207 Y CB -0.367 38.103 38.460 0.016 0.000 2.048 207 Y HN 0.736 nan 8.280 nan 0.000 0.258 208 S N 1.843 117.674 115.700 0.218 0.000 2.585 208 S HA 0.173 4.644 4.470 0.001 0.000 0.273 208 S C 0.856 175.509 174.600 0.089 0.000 1.339 208 S CA -0.167 58.102 58.200 0.115 0.000 1.028 208 S CB 1.618 64.870 63.200 0.086 0.000 0.906 208 S HN 0.710 nan 8.310 nan 0.000 0.528 209 E N 0.961 121.193 120.200 0.054 0.000 2.085 209 E HA -0.193 4.158 4.350 0.001 0.000 0.194 209 E C 1.105 177.712 176.600 0.012 0.000 0.994 209 E CA 1.648 58.067 56.400 0.031 0.000 0.801 209 E CB -0.202 29.512 29.700 0.024 0.000 0.743 209 E HN 0.699 nan 8.360 nan 0.000 0.453 210 D N 0.574 120.982 120.400 0.014 0.000 2.218 210 D HA -0.141 4.499 4.640 0.001 0.000 0.204 210 D C 1.583 177.870 176.300 -0.020 0.000 0.976 210 D CA 0.907 54.907 54.000 0.000 0.000 0.853 210 D CB -0.164 40.641 40.800 0.008 0.000 0.939 210 D HN 0.291 nan 8.370 nan 0.000 0.481 211 E N 0.040 120.227 120.200 -0.022 0.000 2.072 211 E HA -0.033 4.318 4.350 0.001 0.000 0.190 211 E C 2.284 178.772 176.600 -0.187 0.000 0.982 211 E CA 0.334 56.676 56.400 -0.096 0.000 0.803 211 E CB 0.083 29.745 29.700 -0.064 0.000 0.755 211 E HN 0.273 nan 8.360 nan 0.000 0.453 212 I N 0.759 121.246 120.570 -0.138 0.000 2.202 212 I HA -0.247 3.924 4.170 0.001 0.000 0.242 212 I C 2.392 178.457 176.117 -0.086 0.000 1.091 212 I CA 1.041 62.261 61.300 -0.133 0.000 1.368 212 I CB -0.225 37.743 38.000 -0.054 0.000 1.058 212 I HN 0.005 nan 8.210 nan 0.000 0.410 213 R N 0.860 121.329 120.500 -0.051 0.000 2.120 213 R HA -0.114 4.226 4.340 0.001 0.000 0.234 213 R C 2.429 178.705 176.300 -0.040 0.000 1.123 213 R CA 1.371 57.452 56.100 -0.033 0.000 0.975 213 R CB -0.434 29.857 30.300 -0.016 0.000 0.866 213 R HN 0.376 nan 8.270 nan 0.000 0.446 214 A N 1.196 123.983 122.820 -0.055 0.000 1.898 214 A HA -0.117 4.204 4.320 0.001 0.000 0.216 214 A C 2.121 179.664 177.584 -0.069 0.000 1.181 214 A CA 1.090 53.093 52.037 -0.056 0.000 0.620 214 A CB -0.346 18.618 19.000 -0.059 0.000 0.819 214 A HN 0.154 nan 8.150 nan 0.000 0.442 215 I N -0.712 119.797 120.570 -0.102 0.000 2.202 215 I HA -0.197 3.974 4.170 0.001 0.000 0.242 215 I C 2.387 178.462 176.117 -0.070 0.000 1.091 215 I CA 0.990 62.226 61.300 -0.107 0.000 1.368 215 I CB -0.312 37.588 38.000 -0.166 0.000 1.058 215 I HN 0.145 nan 8.210 nan 0.000 0.410 216 V N 0.982 120.863 119.914 -0.055 0.000 2.282 216 V HA -0.356 3.765 4.120 0.001 0.000 0.249 216 V C 2.020 178.107 176.094 -0.013 0.000 1.057 216 V CA 2.333 64.619 62.300 -0.023 0.000 1.032 216 V CB -0.668 31.150 31.823 -0.009 0.000 0.645 216 V HN 0.413 nan 8.190 nan 0.000 0.447 217 D N -0.699 119.690 120.400 -0.018 0.000 2.144 217 D HA -0.121 4.519 4.640 0.001 0.000 0.199 217 D C 2.303 178.593 176.300 -0.017 0.000 0.984 217 D CA 0.862 54.855 54.000 -0.012 0.000 0.834 217 D CB -0.162 40.630 40.800 -0.013 0.000 0.955 217 D HN 0.382 nan 8.370 nan 0.000 0.465 218 E N -0.030 120.153 120.200 -0.028 0.000 2.216 218 E HA 0.024 4.374 4.350 0.001 0.000 0.192 218 E C 1.931 178.512 176.600 -0.031 0.000 0.988 218 E CA 0.502 56.883 56.400 -0.031 0.000 0.834 218 E CB -0.029 29.646 29.700 -0.041 0.000 0.772 218 E HN 0.235 nan 8.360 nan 0.000 0.479 219 A N 1.007 123.807 122.820 -0.034 0.000 1.970 219 A HA -0.095 4.225 4.320 0.001 0.000 0.216 219 A C 1.968 179.547 177.584 -0.008 0.000 1.170 219 A CA 0.825 52.841 52.037 -0.035 0.000 0.645 219 A CB -0.203 18.765 19.000 -0.053 0.000 0.816 219 A HN 0.118 nan 8.150 nan 0.000 0.447 220 E N -0.257 119.946 120.200 0.005 0.000 2.204 220 E HA -0.037 4.314 4.350 0.001 0.000 0.194 220 E C 1.926 178.532 176.600 0.010 0.000 0.989 220 E CA 0.742 57.154 56.400 0.019 0.000 0.824 220 E CB -0.141 29.573 29.700 0.023 0.000 0.756 220 E HN 0.599 nan 8.360 nan 0.000 0.477 221 A N 0.507 123.327 122.820 -0.001 0.000 2.208 221 A HA 0.213 4.534 4.320 0.001 0.000 0.209 221 A C 1.883 179.463 177.584 -0.006 0.000 1.161 221 A CA 0.795 52.830 52.037 -0.004 0.000 0.782 221 A CB 0.124 19.119 19.000 -0.008 0.000 0.816 221 A HN 0.200 nan 8.150 nan 0.000 0.477 222 A N -0.566 122.249 122.820 -0.007 0.000 2.423 222 A HA 0.307 4.628 4.320 0.001 0.000 0.246 222 A C 0.580 178.164 177.584 0.000 0.000 1.278 222 A CA -0.100 51.931 52.037 -0.009 0.000 0.903 222 A CB -0.352 18.637 19.000 -0.019 0.000 0.997 222 A HN 0.391 nan 8.150 nan 0.000 0.510 223 N N 0.198 118.903 118.700 0.008 0.000 2.727 223 N HA -0.135 4.606 4.740 0.001 0.000 0.251 223 N C -0.015 175.516 175.510 0.034 0.000 1.040 223 N CA 1.486 54.547 53.050 0.019 0.000 0.712 223 N CB -1.167 37.328 38.487 0.014 0.000 0.912 223 N HN 0.662 nan 8.380 nan 0.000 0.545 224 T N -1.280 113.302 114.554 0.046 0.000 2.612 224 T HA 0.673 5.024 4.350 0.001 0.000 0.296 224 T C -1.595 173.190 174.700 0.142 0.000 1.148 224 T CA -0.405 61.753 62.100 0.097 0.000 1.077 224 T CB 1.266 70.142 68.868 0.013 0.000 1.591 224 T HN 0.237 nan 8.240 nan 0.000 0.479 225 Y N -1.107 119.171 120.300 -0.035 0.000 2.669 225 Y HA 0.855 5.405 4.550 0.001 0.000 0.335 225 Y C -1.577 174.310 175.900 -0.022 0.000 1.116 225 Y CA -1.274 56.810 58.100 -0.026 0.000 1.081 225 Y CB 1.005 39.446 38.460 -0.030 0.000 1.297 225 Y HN 0.349 nan 8.280 nan 0.000 0.484 226 V N 4.000 123.937 119.914 0.039 0.000 2.384 226 V HA 0.370 4.491 4.120 0.001 0.000 0.287 226 V C -0.044 176.092 176.094 0.070 0.000 1.020 226 V CA -0.857 61.416 62.300 -0.044 0.000 0.850 226 V CB 1.191 33.011 31.823 -0.005 0.000 0.987 226 V HN 0.827 nan 8.190 nan 0.000 0.436 227 M N 3.559 123.155 119.600 -0.007 0.000 2.318 227 M HA 0.921 5.402 4.480 0.001 0.000 0.347 227 M C -0.343 176.015 176.300 0.096 0.000 1.175 227 M CA -0.346 55.012 55.300 0.097 0.000 1.075 227 M CB 1.603 34.260 32.600 0.095 0.000 1.614 227 M HN 0.555 nan 8.290 nan 0.000 0.456 228 A N 1.552 124.445 122.820 0.120 0.000 2.359 228 A HA 0.468 4.789 4.320 0.001 0.000 0.303 228 A C -1.361 176.319 177.584 0.160 0.000 1.066 228 A CA -0.679 51.438 52.037 0.134 0.000 0.730 228 A CB 0.579 19.636 19.000 0.095 0.000 1.211 228 A HN 0.983 nan 8.150 nan 0.000 0.439 229 H N 2.081 121.224 119.070 0.122 0.000 2.944 229 H HA 0.571 5.128 4.556 0.001 0.000 0.278 229 H C -0.066 175.267 175.328 0.007 0.000 1.083 229 H CA 0.929 57.047 56.048 0.117 0.000 1.479 229 H CB 0.378 30.259 29.762 0.199 0.000 1.486 229 H HN 0.876 nan 8.280 nan 0.000 0.493 230 A N 4.921 127.506 122.820 -0.393 0.000 2.488 230 A HA 0.393 4.714 4.320 0.001 0.000 0.298 230 A C -1.335 176.032 177.584 -0.362 0.000 1.044 230 A CA -0.720 51.120 52.037 -0.330 0.000 0.693 230 A CB 0.666 19.617 19.000 -0.083 0.000 1.272 230 A HN 0.686 nan 8.150 nan 0.000 0.402 231 Y N 0.966 121.165 120.300 -0.168 0.000 2.453 231 Y HA 0.156 4.707 4.550 0.001 0.000 0.273 231 Y C 1.991 177.856 175.900 -0.057 0.000 1.130 231 Y CA 1.330 59.358 58.100 -0.120 0.000 1.271 231 Y CB -0.386 37.977 38.460 -0.161 0.000 1.253 231 Y HN 0.695 nan 8.280 nan 0.000 0.512 232 T N -0.659 113.977 114.554 0.136 0.000 2.930 232 T HA 0.240 4.591 4.350 0.001 0.000 0.306 232 T C 1.617 176.346 174.700 0.048 0.000 1.045 232 T CA 0.058 62.194 62.100 0.061 0.000 1.134 232 T CB 1.274 70.162 68.868 0.033 0.000 0.961 232 T HN 0.480 nan 8.240 nan 0.000 0.545 233 G N 1.299 110.119 108.800 0.034 0.000 2.475 233 G HA2 -0.279 3.682 3.960 0.001 0.000 0.220 233 G HA3 -0.279 3.682 3.960 0.001 0.000 0.220 233 G C 1.511 176.428 174.900 0.029 0.000 1.125 233 G CA 0.715 45.836 45.100 0.034 0.000 0.755 233 G HN 0.819 nan 8.290 nan 0.000 0.565 234 R N 0.524 121.037 120.500 0.022 0.000 2.073 234 R HA 0.027 4.367 4.340 0.001 0.000 0.234 234 R C 2.819 179.132 176.300 0.022 0.000 1.134 234 R CA 1.504 57.615 56.100 0.019 0.000 0.952 234 R CB -0.393 29.916 30.300 0.015 0.000 0.850 234 R HN 0.294 nan 8.270 nan 0.000 0.433 235 A N 0.740 123.575 122.820 0.026 0.000 2.014 235 A HA -0.023 4.298 4.320 0.001 0.000 0.218 235 A C 2.114 179.712 177.584 0.023 0.000 1.163 235 A CA 0.772 52.825 52.037 0.028 0.000 0.652 235 A CB -0.289 18.730 19.000 0.031 0.000 0.808 235 A HN 0.335 nan 8.150 nan 0.000 0.449 236 I N -0.248 120.337 120.570 0.025 0.000 2.202 236 I HA -0.271 3.899 4.170 0.001 0.000 0.242 236 I C 3.013 179.136 176.117 0.011 0.000 1.091 236 I CA 0.977 62.292 61.300 0.025 0.000 1.368 236 I CB -0.418 37.613 38.000 0.052 0.000 1.058 236 I HN 0.359 nan 8.210 nan 0.000 0.410 237 A N 2.050 124.878 122.820 0.013 0.000 1.873 237 A HA -0.289 4.032 4.320 0.001 0.000 0.218 237 A C 2.317 179.889 177.584 -0.021 0.000 1.193 237 A CA 2.577 54.614 52.037 -0.000 0.000 0.629 237 A CB -0.837 18.171 19.000 0.014 0.000 0.826 237 A HN 0.522 nan 8.150 nan 0.000 0.447 238 R N -0.153 120.345 120.500 -0.003 0.000 2.096 238 R HA 0.108 4.449 4.340 0.001 0.000 0.235 238 R C 2.193 178.485 176.300 -0.013 0.000 1.127 238 R CA 1.534 57.632 56.100 -0.003 0.000 0.968 238 R CB -0.874 29.436 30.300 0.017 0.000 0.861 238 R HN 0.357 nan 8.270 nan 0.000 0.440 239 A N 1.365 124.181 122.820 -0.006 0.000 1.902 239 A HA -0.078 4.243 4.320 0.001 0.000 0.217 239 A C 2.420 179.976 177.584 -0.046 0.000 1.181 239 A CA 1.675 53.709 52.037 -0.005 0.000 0.623 239 A CB -0.572 18.438 19.000 0.017 0.000 0.818 239 A HN 0.174 nan 8.150 nan 0.000 0.443 240 V N -0.243 119.616 119.914 -0.092 0.000 2.453 240 V HA -0.188 3.932 4.120 0.001 0.000 0.247 240 V C 2.517 178.397 176.094 -0.356 0.000 1.048 240 V CA 1.932 64.106 62.300 -0.211 0.000 1.049 240 V CB -0.787 30.897 31.823 -0.232 0.000 0.672 240 V HN 0.496 nan 8.190 nan 0.000 0.457 241 R N -0.842 119.515 120.500 -0.239 0.000 2.189 241 R HA -0.097 4.244 4.340 0.001 0.000 0.223 241 R C 2.041 178.310 176.300 -0.053 0.000 1.092 241 R CA 1.490 57.504 56.100 -0.143 0.000 0.989 241 R CB -0.431 29.843 30.300 -0.043 0.000 0.876 241 R HN 0.465 nan 8.270 nan 0.000 0.457 242 C N -0.756 118.515 119.300 -0.049 0.000 2.594 242 C HA 0.252 4.712 4.460 0.001 0.000 0.265 242 C C 1.291 176.273 174.990 -0.014 0.000 1.351 242 C CA 0.397 59.404 59.018 -0.018 0.000 1.744 242 C CB -0.258 27.475 27.740 -0.013 0.000 1.890 242 C HN 0.759 nan 8.230 nan 0.000 0.551 243 G N 1.232 110.012 108.800 -0.034 0.000 2.215 243 G HA2 -0.100 3.861 3.960 0.001 0.000 0.198 243 G HA3 -0.100 3.861 3.960 0.001 0.000 0.198 243 G C -0.066 174.848 174.900 0.023 0.000 1.047 243 G CA 0.177 45.276 45.100 -0.001 0.000 0.747 243 G HN 0.926 nan 8.290 nan 0.000 0.495 244 V N -2.015 117.908 119.914 0.014 0.000 2.732 244 V HA 0.701 4.821 4.120 0.001 0.000 0.297 244 V C 1.505 177.656 176.094 0.095 0.000 1.060 244 V CA 0.287 62.623 62.300 0.059 0.000 1.038 244 V CB 1.573 33.428 31.823 0.053 0.000 1.003 244 V HN 0.371 nan 8.190 nan 0.000 0.481 245 R N 1.863 122.466 120.500 0.171 0.000 2.080 245 R HA 0.113 4.453 4.340 0.001 0.000 0.222 245 R C 0.839 177.267 176.300 0.213 0.000 1.107 245 R CA 1.243 57.455 56.100 0.187 0.000 0.980 245 R CB 0.050 30.442 30.300 0.152 0.000 0.879 245 R HN 1.006 nan 8.270 nan 0.000 0.439 246 T N -1.247 113.434 114.554 0.211 0.000 2.841 246 T HA 0.471 4.821 4.350 0.001 0.000 0.283 246 T C -0.269 174.501 174.700 0.117 0.000 1.000 246 T CA -0.917 61.289 62.100 0.176 0.000 0.977 246 T CB 1.797 70.756 68.868 0.152 0.000 0.979 246 T HN -0.113 nan 8.240 nan 0.000 0.446 247 I N 3.193 123.802 120.570 0.065 0.000 2.321 247 I HA 0.356 4.526 4.170 0.001 0.000 0.291 247 I C 0.200 176.302 176.117 -0.025 0.000 0.998 247 I CA -0.659 60.654 61.300 0.022 0.000 1.227 247 I CB 1.459 39.462 38.000 0.006 0.000 1.368 247 I HN 0.729 nan 8.210 nan 0.000 0.466 248 E N 6.422 126.600 120.200 -0.036 0.000 2.313 248 E HA 0.288 4.638 4.350 0.001 0.000 0.272 248 E C 0.669 177.129 176.600 -0.234 0.000 1.038 248 E CA -0.318 55.959 56.400 -0.206 0.000 0.863 248 E CB 0.890 30.494 29.700 -0.160 0.000 1.060 248 E HN 0.523 nan 8.360 nan 0.000 0.402 249 H N 1.785 120.755 119.070 -0.166 0.000 1.885 249 H HA -0.305 4.251 4.556 0.001 0.000 0.090 249 H C 1.036 176.401 175.328 0.060 0.000 0.597 249 H CA 1.597 57.619 56.048 -0.043 0.000 1.852 249 H CB -1.394 28.313 29.762 -0.092 0.000 2.184 249 H HN 0.848 nan 8.280 nan 0.000 0.953 250 G N 1.780 110.681 108.800 0.169 0.000 2.221 250 G HA2 -0.351 3.610 3.960 0.001 0.000 0.265 250 G HA3 -0.351 3.610 3.960 0.001 0.000 0.265 250 G C 0.605 175.682 174.900 0.295 0.000 1.041 250 G CA 1.167 46.402 45.100 0.225 0.000 0.807 250 G HN 0.643 nan 8.290 nan 0.000 0.502 251 N N -0.389 118.497 118.700 0.310 0.000 2.309 251 N HA 0.044 4.785 4.740 0.001 0.000 0.182 251 N C 1.513 177.049 175.510 0.045 0.000 1.018 251 N CA 1.138 54.288 53.050 0.167 0.000 0.876 251 N CB -0.050 38.480 38.487 0.071 0.000 0.972 251 N HN 0.574 nan 8.380 nan 0.000 0.434 252 L N 0.950 122.210 121.223 0.061 0.000 3.096 252 L HA 0.335 4.676 4.340 0.001 0.000 0.247 252 L C -0.540 176.328 176.870 -0.005 0.000 1.321 252 L CA -0.604 54.230 54.840 -0.009 0.000 1.044 252 L CB 0.025 42.065 42.059 -0.033 0.000 1.434 252 L HN -0.098 nan 8.230 nan 0.000 0.533 253 V N -2.186 117.712 119.914 -0.026 0.000 2.715 253 V HA 0.240 4.360 4.120 0.001 0.000 0.299 253 V C 0.075 176.128 176.094 -0.069 0.000 1.054 253 V CA -0.812 61.464 62.300 -0.040 0.000 1.077 253 V CB 0.579 32.332 31.823 -0.116 0.000 0.972 253 V HN 0.452 nan 8.190 nan 0.000 0.484 254 D N 2.534 122.911 120.400 -0.037 0.000 2.387 254 D HA 0.295 4.935 4.640 0.001 0.000 0.255 254 D C 1.038 177.317 176.300 -0.035 0.000 1.081 254 D CA -0.497 53.479 54.000 -0.039 0.000 0.994 254 D CB 0.776 41.563 40.800 -0.021 0.000 1.127 254 D HN 0.627 nan 8.370 nan 0.000 0.513 255 E N 0.378 120.558 120.200 -0.033 0.000 2.204 255 E HA -0.250 4.101 4.350 0.001 0.000 0.195 255 E C 1.788 178.392 176.600 0.006 0.000 0.990 255 E CA 1.125 57.511 56.400 -0.023 0.000 0.821 255 E CB -0.544 29.140 29.700 -0.026 0.000 0.750 255 E HN 0.512 nan 8.360 nan 0.000 0.477 256 A N 2.022 124.849 122.820 0.011 0.000 1.902 256 A HA 0.046 4.367 4.320 0.001 0.000 0.217 256 A C 2.520 180.131 177.584 0.044 0.000 1.181 256 A CA 2.057 54.109 52.037 0.026 0.000 0.623 256 A CB -0.639 18.373 19.000 0.020 0.000 0.818 256 A HN 0.394 nan 8.150 nan 0.000 0.443 257 A N -0.269 122.576 122.820 0.043 0.000 1.898 257 A HA 0.239 4.559 4.320 0.001 0.000 0.216 257 A C 2.463 180.105 177.584 0.097 0.000 1.181 257 A CA 1.839 53.914 52.037 0.062 0.000 0.620 257 A CB -0.893 18.141 19.000 0.057 0.000 0.819 257 A HN 1.009 nan 8.150 nan 0.000 0.442 258 A N -0.507 122.373 122.820 0.100 0.000 1.969 258 A HA -0.096 4.225 4.320 0.001 0.000 0.218 258 A C 2.116 179.782 177.584 0.136 0.000 1.169 258 A CA 1.739 53.868 52.037 0.154 0.000 0.635 258 A CB -0.367 18.693 19.000 0.099 0.000 0.810 258 A HN 0.499 nan 8.150 nan 0.000 0.445 259 K N -0.763 119.695 120.400 0.096 0.000 2.025 259 K HA -0.115 4.206 4.320 0.001 0.000 0.207 259 K C 1.904 178.590 176.600 0.143 0.000 1.049 259 K CA 1.490 57.839 56.287 0.104 0.000 0.933 259 K CB -0.286 32.254 32.500 0.068 0.000 0.714 259 K HN 0.365 nan 8.250 nan 0.000 0.438 260 L N 1.201 122.502 121.223 0.129 0.000 2.083 260 L HA -0.132 4.209 4.340 0.001 0.000 0.209 260 L C 2.210 179.212 176.870 0.219 0.000 1.083 260 L CA 1.488 56.433 54.840 0.174 0.000 0.752 260 L CB -0.198 41.947 42.059 0.144 0.000 0.899 260 L HN 0.259 nan 8.230 nan 0.000 0.433 261 M N -1.764 117.924 119.600 0.146 0.000 2.132 261 M HA -0.236 4.245 4.480 0.001 0.000 0.263 261 M C 2.309 178.656 176.300 0.080 0.000 1.065 261 M CA 1.852 57.212 55.300 0.101 0.000 1.122 261 M CB -0.427 32.221 32.600 0.081 0.000 1.365 261 M HN 0.455 nan 8.290 nan 0.000 0.411 262 H N 0.247 119.327 119.070 0.016 0.000 2.389 262 H HA -0.107 4.449 4.556 0.001 0.000 0.299 262 H C 1.607 176.919 175.328 -0.027 0.000 1.081 262 H CA 2.006 58.037 56.048 -0.029 0.000 1.345 262 H CB 0.066 29.820 29.762 -0.013 0.000 1.393 262 H HN 0.396 nan 8.280 nan 0.000 0.520 263 E N -1.168 118.989 120.200 -0.072 0.000 2.268 263 E HA -0.140 4.210 4.350 0.001 0.000 0.195 263 E C 1.262 177.735 176.600 -0.213 0.000 0.995 263 E CA 0.993 57.300 56.400 -0.155 0.000 0.836 263 E CB 0.069 29.743 29.700 -0.044 0.000 0.763 263 E HN 0.696 nan 8.360 nan 0.000 0.491 264 H N -1.503 117.497 119.070 -0.115 0.000 2.592 264 H HA 0.182 4.739 4.556 0.001 0.000 0.265 264 H C 1.126 176.382 175.328 -0.121 0.000 0.955 264 H CA 0.617 56.612 56.048 -0.088 0.000 1.175 264 H CB 1.098 30.835 29.762 -0.042 0.000 1.433 264 H HN 0.247 nan 8.280 nan 0.000 0.537 265 G N 0.175 108.910 108.800 -0.108 0.000 2.143 265 G HA2 -0.261 3.700 3.960 0.001 0.000 0.248 265 G HA3 -0.261 3.700 3.960 0.001 0.000 0.248 265 G C 0.386 175.123 174.900 -0.270 0.000 0.991 265 G CA 0.203 45.177 45.100 -0.210 0.000 0.689 265 G HN 0.654 nan 8.290 nan 0.000 0.522 266 A N -0.660 122.070 122.820 -0.150 0.000 2.351 266 A HA 0.809 5.129 4.320 0.001 0.000 0.257 266 A C -0.002 177.444 177.584 -0.230 0.000 1.087 266 A CA -0.075 51.917 52.037 -0.075 0.000 0.798 266 A CB 0.518 19.521 19.000 0.005 0.000 1.033 266 A HN 0.597 nan 8.150 nan 0.000 0.488 267 F N 0.186 120.102 119.950 -0.058 0.000 2.497 267 F HA 0.590 5.118 4.527 0.001 0.000 0.331 267 F C 0.130 175.844 175.800 -0.143 0.000 1.060 267 F CA -0.642 57.303 58.000 -0.092 0.000 0.989 267 F CB 2.134 41.083 39.000 -0.085 0.000 1.245 267 F HN 0.283 nan 8.300 nan 0.000 0.486 268 V N 1.937 121.832 119.914 -0.032 0.000 2.588 268 V HA 0.443 4.564 4.120 0.001 0.000 0.304 268 V C -0.871 175.150 176.094 -0.123 0.000 1.042 268 V CA -0.861 61.315 62.300 -0.206 0.000 0.877 268 V CB 1.786 33.193 31.823 -0.692 0.000 0.996 268 V HN 0.469 nan 8.190 nan 0.000 0.425 269 V N 6.482 126.329 119.914 -0.111 0.000 2.275 269 V HA 0.353 4.473 4.120 0.001 0.000 0.272 269 V C -2.430 173.553 176.094 -0.185 0.000 1.028 269 V CA -1.777 60.449 62.300 -0.122 0.000 0.810 269 V CB 1.280 33.048 31.823 -0.091 0.000 1.043 269 V HN 0.717 nan 8.190 nan 0.000 0.453 270 P HA 0.281 nan 4.420 nan 0.000 0.274 270 P C 0.278 177.491 177.300 -0.145 0.000 1.231 270 P CA -0.059 63.013 63.100 -0.046 0.000 0.790 270 P CB 0.612 32.342 31.700 0.049 0.000 0.951 271 T N -1.283 113.235 114.554 -0.060 0.000 3.532 271 T HA 0.300 4.651 4.350 0.001 0.000 0.241 271 T C 0.917 175.524 174.700 -0.154 0.000 1.238 271 T CA -0.403 61.589 62.100 -0.179 0.000 1.405 271 T CB -1.102 67.626 68.868 -0.234 0.000 0.971 271 T HN 0.085 nan 8.240 nan 0.000 0.640 272 L N 0.156 121.356 121.223 -0.038 0.000 2.201 272 L HA 0.037 4.377 4.340 0.001 0.000 0.212 272 L C 2.625 179.491 176.870 -0.006 0.000 1.105 272 L CA 0.578 55.475 54.840 0.096 0.000 0.775 272 L CB -0.421 41.692 42.059 0.089 0.000 0.913 272 L HN 0.401 nan 8.230 nan 0.000 0.440 273 V N -0.711 119.139 119.914 -0.107 0.000 2.809 273 V HA -0.237 3.884 4.120 0.001 0.000 0.256 273 V C 2.502 178.512 176.094 -0.140 0.000 1.080 273 V CA 2.146 64.396 62.300 -0.083 0.000 1.102 273 V CB 0.065 31.860 31.823 -0.047 0.000 0.705 273 V HN 0.461 nan 8.190 nan 0.000 0.475 274 T N -1.077 113.315 114.554 -0.270 0.000 2.985 274 T HA -0.104 4.247 4.350 0.001 0.000 0.266 274 T C 1.501 176.041 174.700 -0.265 0.000 1.076 274 T CA 1.475 63.394 62.100 -0.302 0.000 1.135 274 T CB -0.187 68.474 68.868 -0.347 0.000 0.890 274 T HN 0.672 nan 8.240 nan 0.000 0.480 275 Y N 1.136 121.443 120.300 0.011 0.000 2.420 275 Y HA 0.156 4.706 4.550 0.001 0.000 0.292 275 Y C 2.199 178.078 175.900 -0.034 0.000 1.119 275 Y CA 0.058 58.156 58.100 -0.002 0.000 1.229 275 Y CB -0.341 38.122 38.460 0.005 0.000 1.026 275 Y HN 0.203 nan 8.280 nan 0.000 0.554 276 D N -0.441 119.995 120.400 0.059 0.000 2.347 276 D HA 0.035 4.675 4.640 0.001 0.000 0.215 276 D C 1.897 178.128 176.300 -0.114 0.000 0.976 276 D CA 0.970 54.961 54.000 -0.014 0.000 0.884 276 D CB 0.008 40.800 40.800 -0.013 0.000 0.915 276 D HN 0.353 nan 8.370 nan 0.000 0.526 277 A N -0.284 122.445 122.820 -0.152 0.000 2.140 277 A HA 0.180 4.501 4.320 0.001 0.000 0.209 277 A C 1.855 179.429 177.584 -0.017 0.000 1.181 277 A CA -0.035 51.865 52.037 -0.227 0.000 0.824 277 A CB -0.045 18.741 19.000 -0.356 0.000 0.879 277 A HN 0.148 nan 8.150 nan 0.000 0.480 278 L N -0.662 120.566 121.223 0.008 0.000 2.592 278 L HA 0.138 4.478 4.340 0.001 0.000 0.227 278 L C 2.471 179.354 176.870 0.022 0.000 1.127 278 L CA 0.526 55.398 54.840 0.053 0.000 0.884 278 L CB 0.055 42.165 42.059 0.085 0.000 1.065 278 L HN 0.408 nan 8.230 nan 0.000 0.457 279 A N 0.268 123.082 122.820 -0.010 0.000 1.935 279 A HA -0.079 4.242 4.320 0.001 0.000 0.214 279 A C 2.185 179.703 177.584 -0.109 0.000 1.178 279 A CA 1.087 53.099 52.037 -0.042 0.000 0.640 279 A CB 0.043 19.022 19.000 -0.034 0.000 0.825 279 A HN 0.231 nan 8.150 nan 0.000 0.447 280 K N -0.880 119.405 120.400 -0.192 0.000 2.214 280 K HA 0.132 4.452 4.320 0.001 0.000 0.201 280 K C 0.601 176.887 176.600 -0.524 0.000 1.049 280 K CA 0.945 56.984 56.287 -0.414 0.000 0.978 280 K CB 0.152 32.268 32.500 -0.639 0.000 0.842 280 K HN 0.546 nan 8.250 nan 0.000 0.474 281 H N -0.635 118.375 119.070 -0.099 0.000 2.467 281 H HA 0.295 4.852 4.556 0.001 0.000 0.275 281 H C 1.007 176.296 175.328 -0.064 0.000 1.131 281 H CA 0.034 55.982 56.048 -0.167 0.000 0.989 281 H CB 0.631 30.302 29.762 -0.153 0.000 1.696 281 H HN 0.250 nan 8.280 nan 0.000 0.574 282 G N 1.167 109.979 108.800 0.021 0.000 2.616 282 G HA2 -0.186 3.775 3.960 0.001 0.000 0.215 282 G HA3 -0.186 3.775 3.960 0.001 0.000 0.215 282 G C 1.702 176.633 174.900 0.051 0.000 1.284 282 G CA 0.991 46.120 45.100 0.049 0.000 0.823 282 G HN 0.423 nan 8.290 nan 0.000 0.569 283 A N 0.155 122.982 122.820 0.012 0.000 2.066 283 A HA 0.077 4.398 4.320 0.001 0.000 0.218 283 A C 2.105 179.693 177.584 0.005 0.000 1.157 283 A CA 1.869 53.913 52.037 0.013 0.000 0.670 283 A CB -0.424 18.574 19.000 -0.003 0.000 0.804 283 A HN 0.574 nan 8.150 nan 0.000 0.453 284 E N -0.972 119.201 120.200 -0.046 0.000 2.070 284 E HA -0.220 4.130 4.350 0.001 0.000 0.197 284 E C 0.762 177.320 176.600 -0.070 0.000 1.004 284 E CA 1.422 57.745 56.400 -0.127 0.000 0.805 284 E CB -0.206 29.328 29.700 -0.277 0.000 0.744 284 E HN 0.541 nan 8.360 nan 0.000 0.451 285 F N -1.045 118.943 119.950 0.062 0.000 2.732 285 F HA 0.314 4.842 4.527 0.001 0.000 0.303 285 F C 1.448 177.260 175.800 0.021 0.000 1.110 285 F CA 0.675 58.702 58.000 0.046 0.000 1.355 285 F CB 1.117 40.148 39.000 0.052 0.000 1.081 285 F HN 0.276 nan 8.300 nan 0.000 0.565 286 G N -0.158 108.747 108.800 0.176 0.000 2.260 286 G HA2 -0.230 3.731 3.960 0.001 0.000 0.179 286 G HA3 -0.230 3.731 3.960 0.001 0.000 0.179 286 G C 0.428 175.360 174.900 0.054 0.000 1.002 286 G CA -0.225 44.933 45.100 0.096 0.000 0.677 286 G HN 0.198 nan 8.290 nan 0.000 0.486 287 M N 3.392 123.028 119.600 0.061 0.000 2.188 287 M HA 0.413 4.893 4.480 0.001 0.000 0.354 287 M C -1.814 174.503 176.300 0.029 0.000 1.342 287 M CA -1.695 53.626 55.300 0.035 0.000 1.117 287 M CB 0.652 33.281 32.600 0.047 0.000 1.670 287 M HN -0.017 nan 8.290 nan 0.000 0.466 288 P HA 0.025 nan 4.420 nan 0.000 0.263 288 P C -2.478 174.836 177.300 0.022 0.000 1.175 288 P CA -0.745 62.366 63.100 0.018 0.000 0.761 288 P CB -0.274 31.436 31.700 0.018 0.000 0.794 289 P HA -0.170 nan 4.420 nan 0.000 0.223 289 P C 1.403 178.710 177.300 0.012 0.000 1.144 289 P CA 1.297 64.404 63.100 0.011 0.000 0.783 289 P CB -0.100 31.603 31.700 0.005 0.000 0.771 290 E N -0.816 119.395 120.200 0.018 0.000 2.285 290 E HA -0.043 4.308 4.350 0.001 0.000 0.194 290 E C 1.330 177.947 176.600 0.027 0.000 0.997 290 E CA 1.129 57.540 56.400 0.019 0.000 0.845 290 E CB -0.854 28.860 29.700 0.023 0.000 0.782 290 E HN 0.136 nan 8.360 nan 0.000 0.491 291 S N 0.561 116.285 115.700 0.040 0.000 2.470 291 S HA 0.025 4.496 4.470 0.001 0.000 0.225 291 S C 1.984 176.611 174.600 0.045 0.000 1.006 291 S CA 0.631 58.865 58.200 0.057 0.000 0.934 291 S CB 0.246 63.492 63.200 0.076 0.000 0.778 291 S HN 0.176 nan 8.310 nan 0.000 0.517 292 V N 1.651 121.583 119.914 0.030 0.000 3.041 292 V HA 0.070 4.191 4.120 0.001 0.000 0.260 292 V C 2.398 178.492 176.094 0.000 0.000 1.105 292 V CA 1.165 63.476 62.300 0.019 0.000 1.125 292 V CB -1.071 30.760 31.823 0.013 0.000 0.730 292 V HN 0.480 nan 8.190 nan 0.000 0.479 293 A N 0.003 122.822 122.820 -0.002 0.000 2.014 293 A HA -0.104 4.217 4.320 0.001 0.000 0.218 293 A C 2.295 179.861 177.584 -0.031 0.000 1.163 293 A CA 1.350 53.377 52.037 -0.016 0.000 0.652 293 A CB -0.254 18.739 19.000 -0.012 0.000 0.808 293 A HN 0.491 nan 8.150 nan 0.000 0.449 294 K N -0.921 119.463 120.400 -0.027 0.000 2.314 294 K HA 0.118 4.439 4.320 0.001 0.000 0.198 294 K C 1.499 178.040 176.600 -0.099 0.000 1.045 294 K CA 0.567 56.819 56.287 -0.059 0.000 0.988 294 K CB 0.101 32.579 32.500 -0.038 0.000 0.783 294 K HN 0.238 nan 8.250 nan 0.000 0.484 295 V N 0.917 120.798 119.914 -0.055 0.000 3.217 295 V HA -0.078 4.043 4.120 0.001 0.000 0.264 295 V C 1.817 177.849 176.094 -0.104 0.000 1.135 295 V CA 1.348 63.614 62.300 -0.058 0.000 1.142 295 V CB -0.081 31.774 31.823 0.052 0.000 0.754 295 V HN 0.286 nan 8.190 nan 0.000 0.484 296 A N -0.034 122.731 122.820 -0.092 0.000 2.014 296 A HA -0.104 4.216 4.320 0.001 0.000 0.218 296 A C 2.461 179.969 177.584 -0.127 0.000 1.163 296 A CA 1.780 53.763 52.037 -0.092 0.000 0.652 296 A CB -0.396 18.563 19.000 -0.068 0.000 0.808 296 A HN 0.738 nan 8.150 nan 0.000 0.449 297 S N -0.179 115.421 115.700 -0.167 0.000 2.421 297 S HA -0.064 4.407 4.470 0.001 0.000 0.224 297 S C 1.756 176.199 174.600 -0.261 0.000 1.035 297 S CA 1.038 59.124 58.200 -0.189 0.000 0.953 297 S CB -1.009 62.082 63.200 -0.182 0.000 0.810 297 S HN 0.837 nan 8.310 nan 0.000 0.497 298 V N 1.389 121.070 119.914 -0.388 0.000 2.719 298 V HA -0.063 4.057 4.120 0.001 0.000 0.252 298 V C 2.528 178.329 176.094 -0.488 0.000 1.065 298 V CA 1.312 63.286 62.300 -0.543 0.000 1.086 298 V CB -1.597 29.681 31.823 -0.908 0.000 0.700 298 V HN 0.682 nan 8.190 nan 0.000 0.467 299 Q N -0.015 119.547 119.800 -0.396 0.000 2.369 299 Q HA -0.089 4.252 4.340 0.001 0.000 0.206 299 Q C 2.004 177.930 176.000 -0.124 0.000 0.963 299 Q CA 1.058 56.721 55.803 -0.232 0.000 0.894 299 Q CB -0.374 28.305 28.738 -0.097 0.000 0.965 299 Q HN 0.618 nan 8.270 nan 0.000 0.475 300 Q N 1.690 121.409 119.800 -0.136 0.000 1.941 300 Q HA -0.095 4.246 4.340 0.001 0.000 0.201 300 Q C 1.600 177.552 176.000 -0.080 0.000 0.982 300 Q CA 1.492 57.239 55.803 -0.093 0.000 0.839 300 Q CB -0.366 28.314 28.738 -0.096 0.000 0.904 300 Q HN 0.300 nan 8.270 nan 0.000 0.427 301 K N 0.725 121.066 120.400 -0.098 0.000 2.574 301 K HA -0.011 4.309 4.320 0.001 0.000 0.193 301 K C 1.766 178.330 176.600 -0.061 0.000 1.035 301 K CA 0.550 56.788 56.287 -0.081 0.000 0.982 301 K CB -0.533 31.912 32.500 -0.092 0.000 0.795 301 K HN 0.388 nan 8.250 nan 0.000 0.491 302 G N 0.622 109.391 108.800 -0.051 0.000 2.459 302 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 302 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 302 G C 1.430 176.352 174.900 0.037 0.000 1.183 302 G CA 0.558 45.664 45.100 0.010 0.000 0.776 302 G HN 0.279 nan 8.290 nan 0.000 0.552 303 R N -0.059 120.454 120.500 0.022 0.000 2.153 303 R HA 0.097 4.437 4.340 0.001 0.000 0.218 303 R C 2.412 178.714 176.300 0.003 0.000 1.072 303 R CA 0.793 56.909 56.100 0.026 0.000 0.990 303 R CB -0.173 30.142 30.300 0.024 0.000 0.889 303 R HN 0.445 nan 8.270 nan 0.000 0.452 304 E N 0.761 120.947 120.200 -0.023 0.000 2.150 304 E HA -0.165 4.185 4.350 0.001 0.000 0.193 304 E C 1.746 178.292 176.600 -0.090 0.000 0.985 304 E CA 1.510 57.881 56.400 -0.048 0.000 0.814 304 E CB 0.146 29.812 29.700 -0.056 0.000 0.752 304 E HN 0.314 nan 8.360 nan 0.000 0.466 305 S N 0.399 116.033 115.700 -0.110 0.000 2.382 305 S HA -0.166 4.305 4.470 0.001 0.000 0.228 305 S C 1.996 176.409 174.600 -0.312 0.000 1.027 305 S CA 0.741 58.785 58.200 -0.260 0.000 0.991 305 S CB -0.372 62.723 63.200 -0.175 0.000 0.823 305 S HN 0.156 nan 8.310 nan 0.000 0.469 306 L N 1.984 123.193 121.223 -0.023 0.000 2.079 306 L HA 0.008 4.349 4.340 0.001 0.000 0.210 306 L C 2.749 179.657 176.870 0.065 0.000 1.081 306 L CA 1.699 56.616 54.840 0.128 0.000 0.752 306 L CB -0.880 41.251 42.059 0.120 0.000 0.896 306 L HN 0.412 nan 8.230 nan 0.000 0.433 307 E N -0.688 119.505 120.200 -0.012 0.000 2.152 307 E HA -0.147 4.203 4.350 0.001 0.000 0.192 307 E C 2.290 178.859 176.600 -0.052 0.000 0.983 307 E CA 0.927 57.317 56.400 -0.017 0.000 0.818 307 E CB -0.069 29.617 29.700 -0.024 0.000 0.758 307 E HN 0.492 nan 8.360 nan 0.000 0.467 308 I N 0.293 120.775 120.570 -0.146 0.000 2.315 308 I HA -0.261 3.910 4.170 0.001 0.000 0.248 308 I C 1.904 177.943 176.117 -0.130 0.000 1.117 308 I CA 1.022 62.209 61.300 -0.188 0.000 1.404 308 I CB -0.309 37.509 38.000 -0.304 0.000 1.071 308 I HN 0.089 nan 8.210 nan 0.000 0.419 309 Y N 1.050 121.352 120.300 0.002 0.000 2.242 309 Y HA -0.098 4.453 4.550 0.001 0.000 0.291 309 Y C 2.675 178.570 175.900 -0.009 0.000 1.137 309 Y CA 0.661 58.763 58.100 0.003 0.000 1.181 309 Y CB -1.118 37.352 38.460 0.016 0.000 0.989 309 Y HN 0.095 nan 8.280 nan 0.000 0.527 310 A N 0.427 123.328 122.820 0.134 0.000 1.898 310 A HA -0.184 4.137 4.320 0.001 0.000 0.216 310 A C 2.049 179.645 177.584 0.019 0.000 1.181 310 A CA 1.888 53.966 52.037 0.069 0.000 0.620 310 A CB -0.636 18.396 19.000 0.054 0.000 0.819 310 A HN 0.387 nan 8.150 nan 0.000 0.442 311 N N 0.257 118.957 118.700 0.000 0.000 2.270 311 N HA 0.007 4.747 4.740 0.001 0.000 0.181 311 N C 1.660 177.137 175.510 -0.055 0.000 1.016 311 N CA 1.397 54.430 53.050 -0.028 0.000 0.870 311 N CB -0.440 38.028 38.487 -0.031 0.000 0.979 311 N HN 0.454 nan 8.380 nan 0.000 0.431 312 A N -0.187 122.610 122.820 -0.038 0.000 2.072 312 A HA 0.352 4.673 4.320 0.001 0.000 0.216 312 A C 1.388 178.845 177.584 -0.210 0.000 1.156 312 A CA 0.973 52.965 52.037 -0.074 0.000 0.701 312 A CB -0.436 18.578 19.000 0.023 0.000 0.816 312 A HN 0.305 nan 8.150 nan 0.000 0.458 313 G N -0.866 107.862 108.800 -0.120 0.000 2.204 313 G HA2 -0.139 3.821 3.960 0.001 0.000 0.244 313 G HA3 -0.139 3.821 3.960 0.001 0.000 0.244 313 G C -0.047 174.867 174.900 0.023 0.000 1.062 313 G CA 0.017 45.035 45.100 -0.136 0.000 0.798 313 G HN 0.944 nan 8.290 nan 0.000 0.496 314 V N -0.156 119.799 119.914 0.068 0.000 2.461 314 V HA 0.419 4.540 4.120 0.001 0.000 0.275 314 V C 0.921 176.999 176.094 -0.025 0.000 1.047 314 V CA -0.760 61.561 62.300 0.035 0.000 0.955 314 V CB 1.243 33.096 31.823 0.050 0.000 0.988 314 V HN 0.366 nan 8.190 nan 0.000 0.471 315 K N 4.589 124.925 120.400 -0.106 0.000 2.382 315 K HA 0.413 4.733 4.320 0.001 0.000 0.275 315 K C -0.353 176.263 176.600 0.027 0.000 1.009 315 K CA 0.557 56.825 56.287 -0.030 0.000 0.970 315 K CB 0.374 32.838 32.500 -0.060 0.000 0.934 315 K HN 0.621 nan 8.250 nan 0.000 0.479 316 M N 1.762 121.406 119.600 0.075 0.000 2.190 316 M HA 0.347 4.828 4.480 0.001 0.000 0.312 316 M C 0.016 176.372 176.300 0.093 0.000 0.990 316 M CA -0.617 54.709 55.300 0.043 0.000 0.927 316 M CB 2.301 34.919 32.600 0.031 0.000 1.571 316 M HN 0.732 nan 8.290 nan 0.000 0.427 317 G N 1.669 110.513 108.800 0.074 0.000 2.434 317 G HA2 0.606 4.567 3.960 0.001 0.000 0.330 317 G HA3 0.606 4.567 3.960 0.001 0.000 0.330 317 G C -1.497 173.449 174.900 0.077 0.000 1.155 317 G CA -0.479 44.676 45.100 0.091 0.000 0.917 317 G HN 0.594 nan 8.290 nan 0.000 0.493 318 F N 1.080 121.005 119.950 -0.041 0.000 2.495 318 F HA 0.522 5.049 4.527 0.001 0.000 0.365 318 F C 0.674 176.419 175.800 -0.091 0.000 1.090 318 F CA 0.437 58.376 58.000 -0.103 0.000 1.235 318 F CB 1.071 39.989 39.000 -0.138 0.000 1.119 318 F HN 0.519 nan 8.300 nan 0.000 0.562 319 G N 3.273 111.706 108.800 -0.612 0.000 2.741 319 G HA2 0.389 4.349 3.960 0.001 0.000 0.293 319 G HA3 0.389 4.349 3.960 0.001 0.000 0.293 319 G C -0.413 174.177 174.900 -0.516 0.000 1.457 319 G CA -0.057 44.806 45.100 -0.396 0.000 1.098 319 G HN 0.828 nan 8.290 nan 0.000 0.536 320 S N 1.496 117.004 115.700 -0.321 0.000 2.370 320 S HA 0.123 4.594 4.470 0.001 0.000 0.214 320 S C 0.977 175.500 174.600 -0.128 0.000 1.033 320 S CA 1.313 59.376 58.200 -0.229 0.000 0.941 320 S CB -0.100 63.032 63.200 -0.114 0.000 0.886 320 S HN 0.976 nan 8.310 nan 0.000 0.521 321 D N 0.437 120.826 120.400 -0.017 0.000 2.723 321 D HA -0.115 4.526 4.640 0.001 0.000 0.236 321 D C -0.852 175.478 176.300 0.051 0.000 1.138 321 D CA 0.407 54.469 54.000 0.104 0.000 0.676 321 D CB -1.999 38.885 40.800 0.140 0.000 1.069 321 D HN 0.545 nan 8.370 nan 0.000 0.430 322 L N -0.238 120.970 121.223 -0.024 0.000 2.379 322 L HA 0.575 4.916 4.340 0.001 0.000 0.269 322 L C 0.615 177.203 176.870 -0.470 0.000 1.084 322 L CA -0.765 53.951 54.840 -0.205 0.000 0.802 322 L CB 1.094 43.033 42.059 -0.200 0.000 1.175 322 L HN 0.026 nan 8.230 nan 0.000 0.448 323 L N 1.442 122.422 121.223 -0.405 0.000 2.362 323 L HA 0.667 5.008 4.340 0.001 0.000 0.275 323 L C 0.743 177.444 176.870 -0.282 0.000 0.998 323 L CA -0.410 54.254 54.840 -0.295 0.000 0.820 323 L CB 1.500 43.506 42.059 -0.088 0.000 1.270 323 L HN 0.879 nan 8.230 nan 0.000 0.415 324 G N 2.549 111.281 108.800 -0.113 0.000 2.543 324 G HA2 -0.303 3.658 3.960 0.001 0.000 0.286 324 G HA3 -0.303 3.658 3.960 0.001 0.000 0.286 324 G C 0.668 175.555 174.900 -0.021 0.000 1.153 324 G CA 0.420 45.497 45.100 -0.038 0.000 0.968 324 G HN 0.829 nan 8.290 nan 0.000 0.544 325 E N 1.026 121.093 120.200 -0.223 0.000 2.502 325 E HA 0.157 4.508 4.350 0.001 0.000 0.194 325 E C 2.320 178.820 176.600 -0.168 0.000 1.062 325 E CA 0.867 57.116 56.400 -0.252 0.000 0.867 325 E CB -0.081 29.317 29.700 -0.504 0.000 0.888 325 E HN 0.670 nan 8.360 nan 0.000 0.510 326 M N 0.301 119.823 119.600 -0.130 0.000 2.618 326 M HA 0.060 4.540 4.480 0.001 0.000 0.240 326 M C 0.991 177.359 176.300 0.114 0.000 1.123 326 M CA 0.398 55.756 55.300 0.098 0.000 1.060 326 M CB -0.301 32.325 32.600 0.042 0.000 1.535 326 M HN 0.151 nan 8.290 nan 0.000 0.507 327 H N -0.353 118.763 119.070 0.076 0.000 2.518 327 H HA -0.026 4.530 4.556 0.001 0.000 0.289 327 H C 2.115 177.484 175.328 0.068 0.000 1.051 327 H CA 1.130 57.218 56.048 0.066 0.000 1.280 327 H CB 0.162 29.937 29.762 0.022 0.000 1.380 327 H HN 0.453 nan 8.280 nan 0.000 0.566 328 A N 0.396 123.282 122.820 0.109 0.000 1.930 328 A HA -0.137 4.183 4.320 0.001 0.000 0.217 328 A C 1.358 178.904 177.584 -0.063 0.000 1.175 328 A CA 0.919 52.929 52.037 -0.046 0.000 0.627 328 A CB -0.695 18.163 19.000 -0.237 0.000 0.815 328 A HN 0.361 nan 8.150 nan 0.000 0.443 329 F N 0.515 120.514 119.950 0.082 0.000 2.772 329 F HA 0.001 4.529 4.527 0.001 0.000 0.302 329 F C 2.106 177.987 175.800 0.135 0.000 1.225 329 F CA 0.754 58.811 58.000 0.096 0.000 1.429 329 F CB -0.411 38.631 39.000 0.069 0.000 1.104 329 F HN 0.391 nan 8.300 nan 0.000 0.550 330 Q N 0.105 120.082 119.800 0.294 0.000 2.061 330 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 330 Q C 2.074 178.353 176.000 0.466 0.000 0.984 330 Q CA 2.006 57.992 55.803 0.304 0.000 0.846 330 Q CB -0.067 28.838 28.738 0.278 0.000 0.902 330 Q HN 0.294 nan 8.270 nan 0.000 0.421 331 S N -0.405 115.611 115.700 0.527 0.000 2.561 331 S HA 0.005 4.476 4.470 0.001 0.000 0.225 331 S C 1.527 176.462 174.600 0.558 0.000 0.977 331 S CA 0.506 59.099 58.200 0.654 0.000 0.926 331 S CB 0.090 63.512 63.200 0.370 0.000 0.769 331 S HN 0.612 nan 8.310 nan 0.000 0.533 332 G N 1.571 110.606 108.800 0.391 0.000 2.470 332 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 332 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 332 G C 1.233 176.291 174.900 0.263 0.000 1.121 332 G CA 0.777 46.062 45.100 0.307 0.000 0.766 332 G HN 0.493 nan 8.290 nan 0.000 0.553 333 E N 0.171 120.510 120.200 0.232 0.000 2.268 333 E HA -0.043 4.307 4.350 0.001 0.000 0.195 333 E C 1.837 178.532 176.600 0.159 0.000 0.995 333 E CA 0.464 56.872 56.400 0.013 0.000 0.836 333 E CB -0.394 29.023 29.700 -0.471 0.000 0.763 333 E HN 0.449 nan 8.360 nan 0.000 0.491 334 F N 0.472 120.674 119.950 0.419 0.000 2.069 334 F HA -0.097 4.431 4.527 0.001 0.000 0.298 334 F C 2.613 178.504 175.800 0.152 0.000 1.113 334 F CA 1.698 59.872 58.000 0.290 0.000 1.214 334 F CB -0.345 38.716 39.000 0.102 0.000 0.978 334 F HN 0.026 nan 8.300 nan 0.000 0.474 335 R N 0.541 121.235 120.500 0.323 0.000 2.092 335 R HA -0.122 4.219 4.340 0.001 0.000 0.231 335 R C 2.186 178.575 176.300 0.148 0.000 1.119 335 R CA 1.354 57.571 56.100 0.196 0.000 0.970 335 R CB -0.443 29.953 30.300 0.160 0.000 0.864 335 R HN 0.309 nan 8.270 nan 0.000 0.440 336 I N 0.096 120.747 120.570 0.136 0.000 2.226 336 I HA -0.266 3.905 4.170 0.001 0.000 0.245 336 I C 2.360 178.529 176.117 0.087 0.000 1.100 336 I CA 1.395 62.751 61.300 0.093 0.000 1.374 336 I CB -0.221 37.819 38.000 0.067 0.000 1.057 336 I HN 0.110 nan 8.210 nan 0.000 0.413 337 R N 0.716 121.275 120.500 0.098 0.000 2.115 337 R HA -0.004 4.336 4.340 0.001 0.000 0.226 337 R C 2.462 178.827 176.300 0.109 0.000 1.100 337 R CA 1.142 57.300 56.100 0.097 0.000 0.980 337 R CB -0.364 29.995 30.300 0.099 0.000 0.875 337 R HN 0.348 nan 8.270 nan 0.000 0.445 338 A N 1.371 124.269 122.820 0.130 0.000 1.933 338 A HA -0.180 4.141 4.320 0.001 0.000 0.218 338 A C 1.781 179.416 177.584 0.085 0.000 1.175 338 A CA 1.292 53.398 52.037 0.116 0.000 0.628 338 A CB -0.242 18.835 19.000 0.127 0.000 0.814 338 A HN 0.288 nan 8.150 nan 0.000 0.444 339 E N -0.595 119.652 120.200 0.080 0.000 2.274 339 E HA -0.055 4.296 4.350 0.001 0.000 0.194 339 E C 1.671 178.302 176.600 0.053 0.000 0.996 339 E CA 1.011 57.448 56.400 0.062 0.000 0.840 339 E CB 0.002 29.738 29.700 0.059 0.000 0.772 339 E HN 0.481 nan 8.360 nan 0.000 0.491 340 V N 0.099 120.048 119.914 0.058 0.000 2.672 340 V HA -0.041 4.079 4.120 0.001 0.000 0.242 340 V C 1.710 177.834 176.094 0.051 0.000 1.059 340 V CA 0.933 63.263 62.300 0.050 0.000 1.081 340 V CB 0.102 31.957 31.823 0.053 0.000 0.752 340 V HN 0.203 nan 8.190 nan 0.000 0.472 341 L N -0.182 121.079 121.223 0.063 0.000 2.781 341 L HA 0.633 4.974 4.340 0.001 0.000 0.245 341 L C 0.922 177.829 176.870 0.061 0.000 1.118 341 L CA 0.541 55.419 54.840 0.063 0.000 0.918 341 L CB 0.356 42.460 42.059 0.075 0.000 1.246 341 L HN 0.442 nan 8.230 nan 0.000 0.526 342 G N 2.156 110.994 108.800 0.064 0.000 3.019 342 G HA2 -0.222 3.739 3.960 0.001 0.000 0.686 342 G HA3 -0.222 3.739 3.960 0.001 0.000 0.686 342 G C 0.061 175.007 174.900 0.076 0.000 1.056 342 G CA -0.156 44.981 45.100 0.062 0.000 0.774 342 G HN 0.460 nan 8.290 nan 0.000 0.583 343 N N 1.793 120.539 118.700 0.076 0.000 2.466 343 N HA -0.001 4.739 4.740 0.001 0.000 0.211 343 N C 1.476 177.038 175.510 0.088 0.000 1.256 343 N CA 0.041 53.148 53.050 0.093 0.000 0.840 343 N CB 0.611 39.148 38.487 0.084 0.000 1.079 343 N HN 0.518 nan 8.380 nan 0.000 0.466 344 L N -0.113 121.158 121.223 0.079 0.000 2.253 344 L HA 0.069 4.409 4.340 0.001 0.000 0.205 344 L C 2.009 178.937 176.870 0.098 0.000 1.078 344 L CA 0.844 55.731 54.840 0.078 0.000 0.805 344 L CB 0.105 42.199 42.059 0.059 0.000 0.963 344 L HN 0.055 nan 8.230 nan 0.000 0.459 345 E N 0.309 120.567 120.200 0.097 0.000 2.152 345 E HA -0.097 4.254 4.350 0.001 0.000 0.192 345 E C 1.971 178.652 176.600 0.135 0.000 0.983 345 E CA 1.187 57.650 56.400 0.105 0.000 0.818 345 E CB 0.060 29.814 29.700 0.090 0.000 0.758 345 E HN 0.460 nan 8.360 nan 0.000 0.467 346 A N -0.267 122.648 122.820 0.159 0.000 2.066 346 A HA -0.026 4.295 4.320 0.001 0.000 0.218 346 A C 1.969 179.731 177.584 0.296 0.000 1.157 346 A CA 0.728 52.897 52.037 0.220 0.000 0.670 346 A CB -0.252 18.899 19.000 0.252 0.000 0.804 346 A HN 0.277 nan 8.150 nan 0.000 0.453 347 L N -1.785 119.590 121.223 0.252 0.000 2.298 347 L HA 0.062 4.403 4.340 0.001 0.000 0.209 347 L C 2.654 179.654 176.870 0.216 0.000 1.084 347 L CA 0.300 55.304 54.840 0.273 0.000 0.816 347 L CB -0.298 41.870 42.059 0.182 0.000 0.967 347 L HN 0.277 nan 8.230 nan 0.000 0.460 348 R N -0.377 120.221 120.500 0.163 0.000 2.096 348 R HA -0.113 4.228 4.340 0.001 0.000 0.235 348 R C 2.425 178.813 176.300 0.147 0.000 1.127 348 R CA 1.383 57.566 56.100 0.137 0.000 0.968 348 R CB -0.247 30.120 30.300 0.112 0.000 0.861 348 R HN 0.207 nan 8.270 nan 0.000 0.440 349 S N 0.163 115.958 115.700 0.158 0.000 2.400 349 S HA -0.113 4.357 4.470 0.001 0.000 0.232 349 S C 1.620 176.331 174.600 0.185 0.000 1.025 349 S CA 1.361 59.663 58.200 0.170 0.000 0.993 349 S CB 0.091 63.404 63.200 0.189 0.000 0.808 349 S HN 0.468 nan 8.310 nan 0.000 0.478 350 A N 0.344 123.249 122.820 0.141 0.000 2.348 350 A HA 0.279 4.600 4.320 0.001 0.000 0.224 350 A C 1.660 179.374 177.584 0.217 0.000 1.227 350 A CA 0.761 52.866 52.037 0.113 0.000 0.885 350 A CB -0.114 18.803 19.000 -0.137 0.000 0.933 350 A HN 0.558 nan 8.150 nan 0.000 0.506 351 T N -3.897 110.768 114.554 0.186 0.000 3.409 351 T HA 0.032 4.383 4.350 0.001 0.000 0.188 351 T C 1.922 176.687 174.700 0.107 0.000 0.929 351 T CA 1.234 63.424 62.100 0.151 0.000 1.184 351 T CB -0.933 68.022 68.868 0.145 0.000 1.570 351 T HN 0.276 nan 8.240 nan 0.000 0.367 352 T N 1.042 115.654 114.554 0.096 0.000 2.857 352 T HA 0.009 4.360 4.350 0.001 0.000 0.266 352 T C 2.087 176.834 174.700 0.079 0.000 1.048 352 T CA 1.250 63.395 62.100 0.076 0.000 1.139 352 T CB -1.057 67.853 68.868 0.071 0.000 0.874 352 T HN 0.205 nan 8.240 nan 0.000 0.455 353 V N 2.107 122.082 119.914 0.102 0.000 2.453 353 V HA 0.086 4.206 4.120 0.001 0.000 0.247 353 V C 3.260 179.390 176.094 0.059 0.000 1.048 353 V CA 1.268 63.641 62.300 0.122 0.000 1.049 353 V CB -1.425 30.490 31.823 0.154 0.000 0.672 353 V HN 0.652 nan 8.190 nan 0.000 0.457 354 A N 0.324 123.187 122.820 0.071 0.000 1.930 354 A HA -0.014 4.306 4.320 0.001 0.000 0.217 354 A C 2.382 179.968 177.584 0.005 0.000 1.175 354 A CA 1.832 53.900 52.037 0.051 0.000 0.627 354 A CB -0.654 18.422 19.000 0.127 0.000 0.815 354 A HN 0.552 nan 8.150 nan 0.000 0.443 355 A N -0.492 122.341 122.820 0.022 0.000 2.015 355 A HA -0.096 4.225 4.320 0.001 0.000 0.219 355 A C 1.937 179.475 177.584 -0.077 0.000 1.163 355 A CA 1.636 53.673 52.037 0.000 0.000 0.646 355 A CB -0.401 18.617 19.000 0.029 0.000 0.806 355 A HN 0.660 nan 8.150 nan 0.000 0.448 356 E N -0.077 120.067 120.200 -0.095 0.000 2.072 356 E HA -0.140 4.211 4.350 0.001 0.000 0.191 356 E C 1.774 178.127 176.600 -0.411 0.000 0.985 356 E CA 1.108 57.409 56.400 -0.165 0.000 0.801 356 E CB -0.212 29.467 29.700 -0.035 0.000 0.750 356 E HN 0.650 nan 8.360 nan 0.000 0.452 357 I N 0.702 120.955 120.570 -0.529 0.000 2.163 357 I HA -0.246 3.924 4.170 0.001 0.000 0.243 357 I C 2.298 178.127 176.117 -0.478 0.000 1.085 357 I CA 1.284 62.173 61.300 -0.685 0.000 1.347 357 I CB -0.162 37.556 38.000 -0.470 0.000 1.044 357 I HN 0.184 nan 8.210 nan 0.000 0.408 358 V N -1.936 117.811 119.914 -0.279 0.000 3.573 358 V HA 0.131 4.252 4.120 0.001 0.000 0.270 358 V C 0.470 176.351 176.094 -0.355 0.000 1.221 358 V CA 0.504 62.625 62.300 -0.299 0.000 1.163 358 V CB -1.530 30.133 31.823 -0.267 0.000 0.847 358 V HN 0.672 nan 8.190 nan 0.000 0.468 359 N N 0.521 119.053 118.700 -0.281 0.000 2.754 359 N HA -0.146 4.595 4.740 0.001 0.000 0.248 359 N C 0.038 175.463 175.510 -0.141 0.000 1.093 359 N CA 0.900 53.829 53.050 -0.202 0.000 0.699 359 N CB -0.761 37.616 38.487 -0.183 0.000 1.016 359 N HN 0.456 nan 8.380 nan 0.000 0.552 360 M N 0.310 119.846 119.600 -0.108 0.000 3.074 360 M HA 0.135 4.616 4.480 0.001 0.000 0.252 360 M C 0.951 177.244 176.300 -0.011 0.000 1.181 360 M CA 0.084 55.363 55.300 -0.035 0.000 0.771 360 M CB 0.559 33.172 32.600 0.023 0.000 1.375 360 M HN 0.186 nan 8.290 nan 0.000 0.512 361 Q N 0.031 119.818 119.800 -0.022 0.000 2.062 361 Q HA 0.004 4.345 4.340 0.001 0.000 0.196 361 Q C 1.992 177.996 176.000 0.006 0.000 0.967 361 Q CA 1.611 57.409 55.803 -0.008 0.000 0.832 361 Q CB 0.089 28.819 28.738 -0.013 0.000 0.899 361 Q HN 0.771 nan 8.270 nan 0.000 0.442 362 G N 0.396 109.199 108.800 0.005 0.000 2.421 362 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 362 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 362 G C 1.335 176.243 174.900 0.014 0.000 1.143 362 G CA 0.442 45.547 45.100 0.010 0.000 0.784 362 G HN 0.143 nan 8.290 nan 0.000 0.541 363 Q N -0.900 118.910 119.800 0.017 0.000 2.339 363 Q HA 0.420 4.761 4.340 0.001 0.000 0.205 363 Q C 0.716 176.735 176.000 0.032 0.000 0.925 363 Q CA 0.296 56.114 55.803 0.025 0.000 0.898 363 Q CB 0.296 29.054 28.738 0.034 0.000 1.013 363 Q HN 0.360 nan 8.270 nan 0.000 0.504 364 L N -2.667 118.578 121.223 0.037 0.000 2.303 364 L HA 0.583 4.923 4.340 0.001 0.000 0.256 364 L C 0.550 177.442 176.870 0.038 0.000 1.034 364 L CA -0.523 54.344 54.840 0.044 0.000 0.832 364 L CB 2.050 44.158 42.059 0.081 0.000 1.403 364 L HN 0.221 nan 8.230 nan 0.000 0.419 365 G N 0.553 109.376 108.800 0.038 0.000 2.155 365 G HA2 -0.206 3.754 3.960 0.001 0.000 0.257 365 G HA3 -0.206 3.754 3.960 0.001 0.000 0.257 365 G C -0.497 174.422 174.900 0.032 0.000 0.983 365 G CA 0.398 45.525 45.100 0.045 0.000 0.676 365 G HN 0.489 nan 8.290 nan 0.000 0.528 366 V N 0.252 120.176 119.914 0.016 0.000 3.048 366 V HA 0.648 4.769 4.120 0.001 0.000 0.303 366 V C -0.728 175.364 176.094 -0.003 0.000 1.214 366 V CA -1.081 61.224 62.300 0.009 0.000 0.984 366 V CB 1.944 33.776 31.823 0.014 0.000 1.054 366 V HN 0.325 nan 8.190 nan 0.000 0.430 367 I N 5.933 126.497 120.570 -0.010 0.000 2.347 367 I HA 0.735 4.906 4.170 0.001 0.000 0.283 367 I C 0.298 176.409 176.117 -0.010 0.000 1.058 367 I CA -0.030 61.261 61.300 -0.015 0.000 1.202 367 I CB 0.928 38.913 38.000 -0.026 0.000 1.386 367 I HN 0.739 nan 8.210 nan 0.000 0.475 368 A N 5.218 128.037 122.820 -0.002 0.000 2.524 368 A HA 0.756 5.076 4.320 0.001 0.000 0.286 368 A C -0.702 176.885 177.584 0.006 0.000 1.203 368 A CA -0.554 51.484 52.037 0.003 0.000 0.736 368 A CB 1.427 20.430 19.000 0.005 0.000 1.322 368 A HN 0.195 nan 8.150 nan 0.000 0.424 369 V N 1.138 121.058 119.914 0.010 0.000 2.415 369 V HA 0.474 4.595 4.120 0.001 0.000 0.267 369 V C 1.308 177.407 176.094 0.009 0.000 1.042 369 V CA 1.764 64.070 62.300 0.011 0.000 1.000 369 V CB -0.082 31.749 31.823 0.013 0.000 1.015 369 V HN 2.059 nan 8.190 nan 0.000 0.478 370 G N 3.957 112.762 108.800 0.008 0.000 2.184 370 G HA2 -0.037 3.924 3.960 0.001 0.000 0.206 370 G HA3 -0.037 3.924 3.960 0.001 0.000 0.206 370 G C 0.296 175.201 174.900 0.009 0.000 0.995 370 G CA 0.036 45.141 45.100 0.008 0.000 0.651 370 G HN 1.268 nan 8.290 nan 0.000 0.511 371 A N -0.054 122.770 122.820 0.008 0.000 2.271 371 A HA 0.802 5.123 4.320 0.001 0.000 0.288 371 A C 0.632 178.221 177.584 0.008 0.000 1.094 371 A CA -0.429 51.613 52.037 0.009 0.000 0.828 371 A CB 0.408 19.413 19.000 0.008 0.000 1.091 371 A HN 0.770 nan 8.150 nan 0.000 0.493 372 I N 0.928 121.505 120.570 0.012 0.000 2.556 372 I HA 0.171 4.341 4.170 0.001 0.000 0.284 372 I C 1.110 177.225 176.117 -0.003 0.000 1.114 372 I CA 0.132 61.437 61.300 0.009 0.000 1.418 372 I CB 1.085 39.098 38.000 0.021 0.000 1.394 372 I HN 0.646 nan 8.210 nan 0.000 0.552 373 A N 5.141 127.955 122.820 -0.010 0.000 3.048 373 A HA 0.131 4.452 4.320 0.001 0.000 0.264 373 A C -0.354 177.211 177.584 -0.031 0.000 1.796 373 A CA -0.221 51.804 52.037 -0.021 0.000 1.445 373 A CB -1.019 17.968 19.000 -0.020 0.000 1.074 373 A HN 0.648 nan 8.150 nan 0.000 0.621 374 D N 1.057 121.435 120.400 -0.036 0.000 2.443 374 D HA 0.563 5.204 4.640 0.001 0.000 0.221 374 D C -0.334 175.913 176.300 -0.089 0.000 1.097 374 D CA 0.354 54.321 54.000 -0.055 0.000 0.865 374 D CB 0.815 41.590 40.800 -0.041 0.000 1.034 374 D HN 0.400 nan 8.370 nan 0.000 0.511 375 L N 1.150 122.313 121.223 -0.101 0.000 2.333 375 L HA 0.739 5.079 4.340 0.001 0.000 0.263 375 L C -0.661 176.114 176.870 -0.159 0.000 1.014 375 L CA -1.226 53.540 54.840 -0.124 0.000 0.820 375 L CB 2.220 44.230 42.059 -0.081 0.000 1.352 375 L HN -0.068 nan 8.230 nan 0.000 0.421 376 V N 1.674 121.469 119.914 -0.197 0.000 2.577 376 V HA 0.395 4.515 4.120 0.001 0.000 0.303 376 V C -0.539 175.491 176.094 -0.107 0.000 1.042 376 V CA -0.626 61.553 62.300 -0.201 0.000 0.872 376 V CB 2.540 34.108 31.823 -0.424 0.000 0.998 376 V HN 0.414 nan 8.190 nan 0.000 0.423 377 V N 6.317 126.219 119.914 -0.020 0.000 2.407 377 V HA 0.473 4.594 4.120 0.001 0.000 0.278 377 V C -0.445 175.650 176.094 0.001 0.000 1.037 377 V CA -0.393 61.927 62.300 0.033 0.000 0.900 377 V CB 1.452 33.383 31.823 0.181 0.000 0.983 377 V HN 0.584 nan 8.190 nan 0.000 0.459 378 L N 4.603 125.818 121.223 -0.014 0.000 2.372 378 L HA 0.506 4.847 4.340 0.001 0.000 0.274 378 L C -0.350 176.504 176.870 -0.027 0.000 0.988 378 L CA -0.329 54.494 54.840 -0.029 0.000 0.833 378 L CB 1.749 43.790 42.059 -0.030 0.000 1.236 378 L HN 0.649 nan 8.230 nan 0.000 0.410 379 D N 4.116 124.496 120.400 -0.034 0.000 2.367 379 D HA 0.505 5.146 4.640 0.001 0.000 0.255 379 D C 0.457 176.738 176.300 -0.032 0.000 1.300 379 D CA 1.582 55.563 54.000 -0.031 0.000 0.959 379 D CB 0.030 40.808 40.800 -0.037 0.000 1.064 379 D HN 0.874 nan 8.370 nan 0.000 0.509 380 G N 2.846 111.628 108.800 -0.030 0.000 2.384 380 G HA2 -0.118 3.843 3.960 0.001 0.000 0.668 380 G HA3 -0.118 3.843 3.960 0.001 0.000 0.668 380 G C -0.887 173.994 174.900 -0.032 0.000 1.280 380 G CA -1.063 44.019 45.100 -0.030 0.000 0.992 380 G HN 0.560 nan 8.290 nan 0.000 0.512 381 N N 1.110 119.793 118.700 -0.028 0.000 2.444 381 N HA 0.625 5.365 4.740 0.001 0.000 0.262 381 N C -0.842 174.651 175.510 -0.028 0.000 0.974 381 N CA -2.089 50.946 53.050 -0.026 0.000 0.933 381 N CB 2.301 40.777 38.487 -0.019 0.000 1.137 381 N HN 0.185 nan 8.380 nan 0.000 0.498 382 P HA -0.042 nan 4.420 nan 0.000 0.229 382 P C 1.184 178.474 177.300 -0.016 0.000 1.160 382 P CA 0.471 63.544 63.100 -0.045 0.000 0.777 382 P CB 0.687 32.350 31.700 -0.060 0.000 0.814 383 L N -0.307 120.914 121.223 -0.003 0.000 2.179 383 L HA -0.035 4.306 4.340 0.001 0.000 0.208 383 L C 2.604 179.480 176.870 0.010 0.000 1.096 383 L CA 1.469 56.315 54.840 0.011 0.000 0.779 383 L CB -0.649 41.418 42.059 0.013 0.000 0.922 383 L HN -0.168 nan 8.230 nan 0.000 0.443 384 E N -0.491 119.710 120.200 0.002 0.000 2.008 384 E HA -0.109 4.242 4.350 0.001 0.000 0.191 384 E C 0.252 176.854 176.600 0.004 0.000 0.986 384 E CA 0.918 57.320 56.400 0.004 0.000 0.807 384 E CB -0.078 29.622 29.700 -0.001 0.000 0.766 384 E HN 0.245 nan 8.360 nan 0.000 0.450 385 D N -0.341 120.056 120.400 -0.004 0.000 2.471 385 D HA 0.114 4.754 4.640 0.001 0.000 0.245 385 D C 0.372 176.660 176.300 -0.019 0.000 1.116 385 D CA -0.344 53.653 54.000 -0.006 0.000 0.853 385 D CB 1.100 41.894 40.800 -0.009 0.000 1.123 385 D HN -0.149 nan 8.370 nan 0.000 0.540 386 I N 3.385 123.952 120.570 -0.005 0.000 2.614 386 I HA 0.095 4.265 4.170 0.001 0.000 0.258 386 I C 1.964 178.053 176.117 -0.047 0.000 1.189 386 I CA 1.241 62.531 61.300 -0.017 0.000 1.462 386 I CB -0.149 37.881 38.000 0.049 0.000 1.092 386 I HN 0.590 nan 8.210 nan 0.000 0.442 387 G N -0.078 108.710 108.800 -0.020 0.000 2.498 387 G HA2 -0.182 3.779 3.960 0.001 0.000 0.219 387 G HA3 -0.182 3.779 3.960 0.001 0.000 0.219 387 G C 1.654 176.522 174.900 -0.053 0.000 1.119 387 G CA 0.968 46.056 45.100 -0.019 0.000 0.766 387 G HN 0.490 nan 8.290 nan 0.000 0.552 388 V N -1.367 118.502 119.914 -0.074 0.000 3.141 388 V HA 0.012 4.133 4.120 0.001 0.000 0.265 388 V C 2.085 178.093 176.094 -0.143 0.000 1.126 388 V CA 1.619 63.868 62.300 -0.086 0.000 1.141 388 V CB -0.095 31.687 31.823 -0.069 0.000 0.743 388 V HN 0.138 nan 8.190 nan 0.000 0.492 389 V N 0.159 119.930 119.914 -0.239 0.000 3.013 389 V HA 0.434 4.555 4.120 0.001 0.000 0.238 389 V C 2.522 178.428 176.094 -0.313 0.000 1.161 389 V CA 0.928 62.963 62.300 -0.441 0.000 1.170 389 V CB -0.263 30.973 31.823 -0.979 0.000 0.917 389 V HN 0.492 nan 8.190 nan 0.000 0.478 390 A N -0.088 122.635 122.820 -0.162 0.000 2.291 390 A HA 0.097 4.417 4.320 0.001 0.000 0.220 390 A C 0.743 178.365 177.584 0.064 0.000 1.262 390 A CA 0.657 52.715 52.037 0.036 0.000 0.867 390 A CB -0.556 18.521 19.000 0.129 0.000 0.888 390 A HN 0.471 nan 8.150 nan 0.000 0.487 391 D N 0.118 120.526 120.400 0.013 0.000 3.018 391 D HA 0.231 4.872 4.640 0.001 0.000 0.331 391 D C 0.271 176.578 176.300 0.012 0.000 1.334 391 D CA -0.200 53.814 54.000 0.023 0.000 0.900 391 D CB -0.530 40.274 40.800 0.007 0.000 1.059 391 D HN 0.370 nan 8.370 nan 0.000 0.498 392 E N 1.143 121.366 120.200 0.039 0.000 2.494 392 E HA -0.249 4.101 4.350 0.001 0.000 0.249 392 E C 0.575 177.186 176.600 0.019 0.000 1.184 392 E CA 0.607 57.031 56.400 0.040 0.000 0.727 392 E CB -1.161 28.536 29.700 -0.004 0.000 1.281 392 E HN 0.743 nan 8.360 nan 0.000 0.405 393 G N -1.593 107.203 108.800 -0.008 0.000 2.333 393 G HA2 -0.208 3.753 3.960 0.001 0.000 0.296 393 G HA3 -0.208 3.753 3.960 0.001 0.000 0.296 393 G C 0.750 175.628 174.900 -0.036 0.000 1.059 393 G CA 0.632 45.712 45.100 -0.033 0.000 1.050 393 G HN 0.777 nan 8.290 nan 0.000 0.508 394 A N 0.106 122.903 122.820 -0.038 0.000 1.898 394 A HA 0.104 4.425 4.320 0.001 0.000 0.216 394 A C 2.015 179.571 177.584 -0.047 0.000 1.181 394 A CA 1.628 53.643 52.037 -0.037 0.000 0.620 394 A CB -0.027 18.956 19.000 -0.028 0.000 0.819 394 A HN 0.576 nan 8.150 nan 0.000 0.442 395 R N -0.861 119.607 120.500 -0.053 0.000 3.311 395 R HA 0.374 4.714 4.340 0.001 0.000 0.332 395 R C -1.010 175.251 176.300 -0.065 0.000 1.317 395 R CA -0.059 56.006 56.100 -0.057 0.000 1.192 395 R CB 0.745 31.015 30.300 -0.051 0.000 1.454 395 R HN 0.191 nan 8.270 nan 0.000 0.605 396 V N 1.992 121.863 119.914 -0.073 0.000 2.444 396 V HA 0.178 4.299 4.120 0.001 0.000 0.294 396 V C 0.449 176.464 176.094 -0.131 0.000 1.022 396 V CA -0.375 61.877 62.300 -0.081 0.000 0.850 396 V CB 1.473 33.262 31.823 -0.056 0.000 0.992 396 V HN 0.449 nan 8.190 nan 0.000 0.426 397 E N 5.663 125.749 120.200 -0.190 0.000 2.364 397 E HA 0.088 4.439 4.350 0.001 0.000 0.203 397 E C -0.751 175.495 176.600 -0.589 0.000 0.888 397 E CA 0.268 56.422 56.400 -0.411 0.000 0.989 397 E CB 0.599 29.985 29.700 -0.523 0.000 0.985 397 E HN 0.610 nan 8.360 nan 0.000 0.499 398 Y N 0.642 120.912 120.300 -0.049 0.000 2.391 398 Y HA 0.489 5.040 4.550 0.001 0.000 0.341 398 Y C -0.504 175.352 175.900 -0.073 0.000 0.965 398 Y CA -1.086 56.983 58.100 -0.053 0.000 1.067 398 Y CB 2.516 40.948 38.460 -0.047 0.000 1.199 398 Y HN -0.258 nan 8.280 nan 0.000 0.450 399 V N 5.562 125.529 119.914 0.088 0.000 2.407 399 V HA 0.453 4.574 4.120 0.001 0.000 0.291 399 V C -0.771 175.325 176.094 0.003 0.000 1.018 399 V CA -0.681 61.619 62.300 0.000 0.000 0.842 399 V CB 1.406 33.212 31.823 -0.029 0.000 0.996 399 V HN 0.518 nan 8.190 nan 0.000 0.426 400 L N 4.525 125.730 121.223 -0.029 0.000 2.334 400 L HA 0.691 5.032 4.340 0.001 0.000 0.276 400 L C -0.209 176.634 176.870 -0.046 0.000 1.014 400 L CA 0.043 54.863 54.840 -0.033 0.000 0.815 400 L CB 1.682 43.717 42.059 -0.041 0.000 1.268 400 L HN 0.653 nan 8.230 nan 0.000 0.428 401 Q N 2.946 122.724 119.800 -0.037 0.000 2.275 401 Q HA 0.391 4.731 4.340 0.001 0.000 0.258 401 Q C -0.917 175.064 176.000 -0.032 0.000 0.960 401 Q CA -0.700 55.080 55.803 -0.038 0.000 0.801 401 Q CB 1.209 29.924 28.738 -0.038 0.000 1.302 401 Q HN 0.504 nan 8.270 nan 0.000 0.433 402 R N 2.648 123.131 120.500 -0.028 0.000 3.264 402 R HA -0.317 4.023 4.340 0.001 0.000 0.251 402 R C 0.587 176.875 176.300 -0.021 0.000 0.971 402 R CA 0.863 56.951 56.100 -0.021 0.000 0.658 402 R CB -2.066 28.222 30.300 -0.021 0.000 1.095 402 R HN 1.175 nan 8.270 nan 0.000 0.443 403 G N -1.074 107.712 108.800 -0.023 0.000 5.045 403 G HA2 -0.426 3.535 3.960 0.001 0.000 0.229 403 G HA3 -0.426 3.535 3.960 0.001 0.000 0.229 403 G C 0.288 175.171 174.900 -0.028 0.000 1.440 403 G CA 0.690 45.775 45.100 -0.024 0.000 0.936 403 G HN 0.794 nan 8.290 nan 0.000 0.690 404 T N 1.662 116.201 114.554 -0.026 0.000 2.937 404 T HA 0.385 4.735 4.350 0.001 0.000 0.316 404 T C 0.439 175.125 174.700 -0.023 0.000 1.079 404 T CA 0.564 62.650 62.100 -0.025 0.000 1.131 404 T CB 0.753 69.608 68.868 -0.021 0.000 1.000 404 T HN 1.259 nan 8.240 nan 0.000 0.549 405 L N 5.454 126.665 121.223 -0.019 0.000 2.305 405 L HA 0.429 4.770 4.340 0.001 0.000 0.281 405 L C 0.738 177.614 176.870 0.010 0.000 1.085 405 L CA 0.050 54.889 54.840 -0.002 0.000 0.813 405 L CB 1.137 43.196 42.059 -0.001 0.000 1.157 405 L HN 0.685 nan 8.230 nan 0.000 0.436 406 V N 1.975 121.899 119.914 0.016 0.000 3.013 406 V HA 0.301 4.422 4.120 0.001 0.000 0.238 406 V C 0.347 176.453 176.094 0.020 0.000 1.161 406 V CA 0.222 62.527 62.300 0.009 0.000 1.170 406 V CB -0.396 31.424 31.823 -0.005 0.000 0.917 406 V HN 0.592 nan 8.190 nan 0.000 0.478 407 K N 2.006 122.426 120.400 0.033 0.000 2.413 407 K HA 0.554 4.874 4.320 0.001 0.000 0.257 407 K C -0.979 175.638 176.600 0.029 0.000 0.946 407 K CA -0.336 55.961 56.287 0.018 0.000 0.823 407 K CB 2.897 35.393 32.500 -0.006 0.000 1.109 407 K HN 0.173 nan 8.250 nan 0.000 0.427 408 R N 2.739 123.238 120.500 -0.001 0.000 2.437 408 R HA 0.283 4.623 4.340 0.001 0.000 0.310 408 R C -0.797 175.426 176.300 -0.127 0.000 0.955 408 R CA -0.170 55.885 56.100 -0.075 0.000 0.851 408 R CB 1.183 31.503 30.300 0.033 0.000 1.161 408 R HN 0.660 nan 8.270 nan 0.000 0.446 409 Q N 0.000 119.665 119.800 -0.225 0.000 2.315 409 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 409 Q CA 0.000 55.708 55.803 -0.159 0.000 1.022 409 Q CB 0.000 28.660 28.738 -0.129 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481