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 2a1t_1_A DATA FIRST_RESID 10 DATA SEQUENCE LGFSFEFTEQ QKEFQATARK FAREEIIPVA AEYDKTGEYP VPLIRRAWEL DATA SEQUENCE GLMNTHIPEN CGGLGLGTFD ACLISEELAY GCTGVQTAIE GNSLGQMPII DATA SEQUENCE IAGNDQQKKK YLGRMTEEPL MCAYCVTEPG AGSDVAGIKT KAEKKGDEYI DATA SEQUENCE INGQKMWITN GGKANWYFLL ARSDPDPKAP ANKAFTGFIV EADTPGIQIG DATA SEQUENCE RKELNMGQRC SDTRGIVFED VKVPKENVLI GDGAGFKVAM GAFDKTRPVV DATA SEQUENCE AAGAVGLAQR ALDEATKYAL ERKTFGKLLV EHQAISFMLA EMAMKVELAR DATA SEQUENCE MSYQRAAWEV DSGRRNTYYA SIAKAFAGDI ANQLATDAVQ ILGGNGFNTE DATA SEQUENCE YPVEKLMRDA KIYQIYEGTS QIQRLIVARE HIDKYK 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.881 176.870 0.018 0.000 1.165 10 L CA 0.000 54.850 54.840 0.017 0.000 0.813 10 L CB 0.000 42.074 42.059 0.025 0.000 0.961 11 G N 0.051 108.873 108.800 0.036 0.000 2.570 11 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.686 11 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.686 11 G C -1.155 173.778 174.900 0.055 0.000 1.257 11 G CA -0.665 44.476 45.100 0.068 0.000 0.846 11 G HN 0.088 nan 8.290 nan 0.000 0.627 12 F N 0.749 120.600 119.950 -0.166 0.000 2.471 12 F HA 0.623 5.149 4.527 -0.001 0.000 0.353 12 F C 1.148 176.752 175.800 -0.326 0.000 1.113 12 F CA 0.751 58.561 58.000 -0.316 0.000 1.262 12 F CB 1.822 40.650 39.000 -0.287 0.000 1.146 12 F HN 0.609 nan 8.300 nan 0.000 0.578 13 S N 3.134 118.567 115.700 -0.446 0.000 2.548 13 S HA 0.577 5.046 4.470 -0.001 0.000 0.276 13 S C -0.691 173.546 174.600 -0.605 0.000 1.129 13 S CA -0.510 57.480 58.200 -0.348 0.000 0.931 13 S CB 0.407 63.487 63.200 -0.199 0.000 1.068 13 S HN 0.403 nan 8.310 nan 0.000 0.480 14 F N 1.865 121.787 119.950 -0.047 0.000 2.881 14 F HA 0.425 4.951 4.527 -0.001 0.000 0.343 14 F C 0.440 176.196 175.800 -0.074 0.000 1.233 14 F CA -0.470 57.500 58.000 -0.051 0.000 1.262 14 F CB 0.798 39.772 39.000 -0.044 0.000 0.980 14 F HN 0.532 nan 8.300 nan 0.000 0.506 15 E N 0.671 120.904 120.200 0.055 0.000 2.187 15 E HA 0.393 4.743 4.350 -0.001 0.000 0.268 15 E C -0.549 176.142 176.600 0.152 0.000 0.896 15 E CA -0.722 55.696 56.400 0.030 0.000 0.766 15 E CB 1.082 30.796 29.700 0.023 0.000 1.142 15 E HN -0.099 nan 8.360 nan 0.000 0.408 16 F N 1.658 121.651 119.950 0.072 0.000 2.539 16 F HA 0.130 4.656 4.527 -0.001 0.000 0.340 16 F C 1.355 177.166 175.800 0.018 0.000 1.185 16 F CA -0.310 57.736 58.000 0.078 0.000 1.333 16 F CB 0.667 39.748 39.000 0.134 0.000 1.152 16 F HN 0.335 nan 8.300 nan 0.000 0.602 17 T N 1.478 116.145 114.554 0.189 0.000 2.899 17 T HA 0.049 4.398 4.350 -0.001 0.000 0.295 17 T C 1.309 176.039 174.700 0.050 0.000 1.033 17 T CA -0.509 61.633 62.100 0.069 0.000 1.084 17 T CB 0.617 69.490 68.868 0.007 0.000 0.979 17 T HN 0.476 nan 8.240 nan 0.000 0.532 18 E N 1.784 121.988 120.200 0.006 0.000 2.160 18 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 18 E C 2.049 178.596 176.600 -0.089 0.000 0.991 18 E CA 1.380 57.769 56.400 -0.018 0.000 0.810 18 E CB -0.088 29.596 29.700 -0.026 0.000 0.742 18 E HN 0.777 nan 8.360 nan 0.000 0.466 19 Q N 0.564 120.272 119.800 -0.153 0.000 2.230 19 Q HA -0.100 4.240 4.340 -0.001 0.000 0.202 19 Q C 1.911 177.580 176.000 -0.552 0.000 0.963 19 Q CA 1.379 56.980 55.803 -0.337 0.000 0.866 19 Q CB -0.156 28.400 28.738 -0.304 0.000 0.931 19 Q HN 0.210 nan 8.270 nan 0.000 0.452 20 Q N 0.450 120.089 119.800 -0.267 0.000 2.046 20 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 20 Q C 1.953 177.927 176.000 -0.045 0.000 0.975 20 Q CA 1.617 57.343 55.803 -0.129 0.000 0.836 20 Q CB 0.028 28.746 28.738 -0.032 0.000 0.896 20 Q HN 0.391 nan 8.270 nan 0.000 0.428 21 K N 0.595 121.028 120.400 0.055 0.000 2.113 21 K HA -0.244 4.076 4.320 -0.001 0.000 0.208 21 K C 1.923 178.543 176.600 0.034 0.000 1.047 21 K CA 1.455 57.820 56.287 0.130 0.000 0.928 21 K CB -0.060 32.514 32.500 0.123 0.000 0.716 21 K HN 0.226 nan 8.250 nan 0.000 0.446 22 E N 0.215 120.356 120.200 -0.098 0.000 2.031 22 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 22 E C 1.769 178.353 176.600 -0.026 0.000 0.994 22 E CA 1.285 57.613 56.400 -0.119 0.000 0.800 22 E CB -0.106 29.440 29.700 -0.256 0.000 0.752 22 E HN 0.274 nan 8.360 nan 0.000 0.447 23 F N 0.967 120.913 119.950 -0.006 0.000 2.091 23 F HA -0.320 4.207 4.527 -0.001 0.000 0.299 23 F C 2.848 178.646 175.800 -0.004 0.000 1.103 23 F CA 1.364 59.350 58.000 -0.023 0.000 1.228 23 F CB -0.320 38.650 39.000 -0.050 0.000 0.984 23 F HN 0.204 nan 8.300 nan 0.000 0.477 24 Q N 0.989 120.920 119.800 0.217 0.000 2.050 24 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 24 Q C 2.365 178.443 176.000 0.130 0.000 0.980 24 Q CA 1.530 57.430 55.803 0.161 0.000 0.840 24 Q CB -0.321 28.537 28.738 0.200 0.000 0.898 24 Q HN 0.360 nan 8.270 nan 0.000 0.424 25 A N 0.528 123.414 122.820 0.111 0.000 1.873 25 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 25 A C 2.314 179.951 177.584 0.090 0.000 1.193 25 A CA 2.279 54.366 52.037 0.083 0.000 0.629 25 A CB -1.392 17.644 19.000 0.059 0.000 0.826 25 A HN 0.566 nan 8.150 nan 0.000 0.447 26 T N 0.172 114.785 114.554 0.099 0.000 2.665 26 T HA -0.099 4.250 4.350 -0.001 0.000 0.268 26 T C 2.198 176.978 174.700 0.132 0.000 1.035 26 T CA 1.989 64.150 62.100 0.102 0.000 1.151 26 T CB -0.530 68.393 68.868 0.093 0.000 0.862 26 T HN 0.653 nan 8.240 nan 0.000 0.438 27 A N 1.341 124.239 122.820 0.130 0.000 1.898 27 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 27 A C 2.274 179.965 177.584 0.178 0.000 1.181 27 A CA 1.899 54.030 52.037 0.157 0.000 0.620 27 A CB -0.590 18.476 19.000 0.111 0.000 0.819 27 A HN 0.448 nan 8.150 nan 0.000 0.442 28 R N -0.133 120.437 120.500 0.117 0.000 2.080 28 R HA -0.171 4.168 4.340 -0.001 0.000 0.236 28 R C 2.281 178.634 176.300 0.089 0.000 1.137 28 R CA 2.050 58.192 56.100 0.070 0.000 0.943 28 R CB -0.304 30.010 30.300 0.024 0.000 0.846 28 R HN 0.500 nan 8.270 nan 0.000 0.431 29 K N -0.609 119.854 120.400 0.106 0.000 2.063 29 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 29 K C 1.931 178.621 176.600 0.151 0.000 1.048 29 K CA 1.681 58.032 56.287 0.108 0.000 0.928 29 K CB -0.277 32.283 32.500 0.102 0.000 0.713 29 K HN 0.153 nan 8.250 nan 0.000 0.442 30 F N 1.187 121.162 119.950 0.042 0.000 2.075 30 F HA -0.166 4.360 4.527 -0.001 0.000 0.297 30 F C 2.037 177.870 175.800 0.055 0.000 1.113 30 F CA 1.593 59.620 58.000 0.044 0.000 1.218 30 F CB -0.761 38.263 39.000 0.039 0.000 0.984 30 F HN 0.072 nan 8.300 nan 0.000 0.472 31 A N 0.684 123.507 122.820 0.004 0.000 1.908 31 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 31 A C 2.356 179.905 177.584 -0.057 0.000 1.181 31 A CA 1.923 53.915 52.037 -0.075 0.000 0.627 31 A CB -0.597 18.468 19.000 0.110 0.000 0.818 31 A HN 0.511 nan 8.150 nan 0.000 0.445 32 R N -1.137 119.370 120.500 0.010 0.000 2.112 32 R HA 0.065 4.404 4.340 -0.001 0.000 0.216 32 R C 1.947 178.248 176.300 0.001 0.000 1.080 32 R CA 1.110 57.234 56.100 0.041 0.000 0.996 32 R CB -0.187 30.154 30.300 0.069 0.000 0.902 32 R HN 0.595 nan 8.270 nan 0.000 0.449 33 E N 0.569 120.762 120.200 -0.012 0.000 2.170 33 E HA -0.087 4.263 4.350 -0.001 0.000 0.191 33 E C 1.358 177.925 176.600 -0.056 0.000 0.981 33 E CA 0.878 57.272 56.400 -0.011 0.000 0.830 33 E CB 0.402 30.117 29.700 0.026 0.000 0.775 33 E HN 0.355 nan 8.360 nan 0.000 0.470 34 E N -0.492 119.609 120.200 -0.164 0.000 2.367 34 E HA 0.110 4.460 4.350 -0.001 0.000 0.204 34 E C 1.957 178.397 176.600 -0.267 0.000 0.840 34 E CA 0.000 56.272 56.400 -0.214 0.000 1.051 34 E CB 0.412 29.956 29.700 -0.261 0.000 1.051 34 E HN 0.132 nan 8.360 nan 0.000 0.509 35 I N 1.383 121.717 120.570 -0.394 0.000 2.277 35 I HA -0.177 3.992 4.170 -0.001 0.000 0.243 35 I C 2.403 178.467 176.117 -0.089 0.000 1.094 35 I CA 0.939 62.088 61.300 -0.252 0.000 1.393 35 I CB -0.065 37.773 38.000 -0.269 0.000 1.078 35 I HN 0.052 nan 8.210 nan 0.000 0.417 36 I N 1.106 121.635 120.570 -0.068 0.000 2.127 36 I HA -0.218 3.952 4.170 -0.001 0.000 0.241 36 I C -0.304 175.803 176.117 -0.017 0.000 1.075 36 I CA 1.758 63.044 61.300 -0.023 0.000 1.334 36 I CB -1.596 36.407 38.000 0.006 0.000 1.040 36 I HN 0.144 nan 8.210 nan 0.000 0.405 37 P HA -0.180 nan 4.420 nan 0.000 0.217 37 P C 1.413 178.704 177.300 -0.014 0.000 1.151 37 P CA 1.567 64.656 63.100 -0.018 0.000 0.849 37 P CB -0.100 31.588 31.700 -0.019 0.000 0.787 38 V N -5.487 114.433 119.914 0.010 0.000 3.578 38 V HA 0.447 4.566 4.120 -0.001 0.000 0.290 38 V C 1.913 178.072 176.094 0.109 0.000 1.376 38 V CA 0.592 62.907 62.300 0.026 0.000 1.083 38 V CB -0.947 30.910 31.823 0.056 0.000 0.911 38 V HN -0.034 nan 8.190 nan 0.000 0.433 39 A N 1.267 124.144 122.820 0.094 0.000 1.978 39 A HA 0.063 4.382 4.320 -0.001 0.000 0.220 39 A C 2.403 180.039 177.584 0.086 0.000 1.170 39 A CA 2.265 54.368 52.037 0.111 0.000 0.636 39 A CB -0.681 18.339 19.000 0.034 0.000 0.810 39 A HN 0.966 nan 8.150 nan 0.000 0.448 40 A N -0.658 122.178 122.820 0.028 0.000 1.897 40 A HA -0.102 4.218 4.320 -0.001 0.000 0.215 40 A C 2.009 179.590 177.584 -0.005 0.000 1.181 40 A CA 1.531 53.571 52.037 0.004 0.000 0.620 40 A CB -0.481 18.504 19.000 -0.024 0.000 0.821 40 A HN 0.618 nan 8.150 nan 0.000 0.443 41 E N -1.277 118.897 120.200 -0.044 0.000 2.058 41 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 41 E C 1.712 178.263 176.600 -0.081 0.000 0.997 41 E CA 1.509 57.845 56.400 -0.106 0.000 0.801 41 E CB -0.246 29.334 29.700 -0.199 0.000 0.746 41 E HN 0.701 nan 8.360 nan 0.000 0.450 42 Y N 0.742 121.032 120.300 -0.017 0.000 2.274 42 Y HA -0.168 4.381 4.550 -0.001 0.000 0.290 42 Y C 2.075 177.971 175.900 -0.006 0.000 1.145 42 Y CA 1.609 59.703 58.100 -0.010 0.000 1.203 42 Y CB -0.331 38.118 38.460 -0.019 0.000 0.984 42 Y HN 0.200 nan 8.280 nan 0.000 0.533 43 D N -0.591 119.895 120.400 0.143 0.000 2.117 43 D HA -0.142 4.497 4.640 -0.001 0.000 0.198 43 D C 2.192 178.518 176.300 0.044 0.000 0.982 43 D CA 1.443 55.487 54.000 0.074 0.000 0.828 43 D CB 0.221 41.044 40.800 0.039 0.000 0.967 43 D HN -0.027 nan 8.370 nan 0.000 0.464 44 K N -0.933 119.480 120.400 0.023 0.000 2.001 44 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 44 K C 2.601 179.210 176.600 0.014 0.000 1.048 44 K CA 1.728 58.017 56.287 0.003 0.000 0.932 44 K CB -1.480 31.008 32.500 -0.019 0.000 0.715 44 K HN 0.629 nan 8.250 nan 0.000 0.437 45 T N -3.080 111.486 114.554 0.020 0.000 2.896 45 T HA 0.144 4.493 4.350 -0.001 0.000 0.263 45 T C 1.794 176.537 174.700 0.071 0.000 1.050 45 T CA 1.332 63.450 62.100 0.030 0.000 1.140 45 T CB -0.281 68.590 68.868 0.006 0.000 0.877 45 T HN 0.711 nan 8.240 nan 0.000 0.457 46 G N 2.334 111.203 108.800 0.115 0.000 2.148 46 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.254 46 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.254 46 G C -0.165 174.836 174.900 0.169 0.000 0.981 46 G CA 0.280 45.458 45.100 0.130 0.000 0.670 46 G HN 1.086 nan 8.290 nan 0.000 0.528 47 E N -0.255 120.079 120.200 0.223 0.000 2.354 47 E HA 0.421 4.770 4.350 -0.001 0.000 0.269 47 E C -0.054 176.724 176.600 0.298 0.000 1.036 47 E CA -1.101 55.448 56.400 0.249 0.000 0.876 47 E CB 1.029 30.861 29.700 0.220 0.000 1.009 47 E HN 0.318 nan 8.360 nan 0.000 0.416 48 Y N 4.678 125.030 120.300 0.087 0.000 2.650 48 Y HA 0.029 4.579 4.550 -0.001 0.000 0.331 48 Y C -1.709 174.160 175.900 -0.051 0.000 1.165 48 Y CA -2.022 56.079 58.100 0.001 0.000 1.473 48 Y CB 0.685 39.150 38.460 0.007 0.000 1.224 48 Y HN 0.433 nan 8.280 nan 0.000 0.533 49 P HA -0.019 nan 4.420 nan 0.000 0.235 49 P C 0.623 177.718 177.300 -0.341 0.000 1.765 49 P CA 0.330 62.993 63.100 -0.728 0.000 1.034 49 P CB 0.168 31.277 31.700 -0.984 0.000 1.984 50 V N 2.942 122.811 119.914 -0.076 0.000 2.343 50 V HA -0.147 3.972 4.120 -0.001 0.000 0.247 50 V C -0.220 175.894 176.094 0.033 0.000 1.051 50 V CA 2.151 64.462 62.300 0.018 0.000 1.036 50 V CB -2.088 29.814 31.823 0.133 0.000 0.654 50 V HN 0.332 nan 8.190 nan 0.000 0.451 51 P HA -0.177 nan 4.420 nan 0.000 0.213 51 P C 1.885 179.261 177.300 0.127 0.000 1.170 51 P CA 1.650 64.816 63.100 0.111 0.000 0.902 51 P CB -0.118 31.672 31.700 0.149 0.000 0.789 52 L N -1.844 119.452 121.223 0.121 0.000 2.201 52 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 52 L C 2.515 179.514 176.870 0.214 0.000 1.105 52 L CA 0.936 55.924 54.840 0.247 0.000 0.775 52 L CB -0.747 41.394 42.059 0.138 0.000 0.913 52 L HN -0.077 nan 8.230 nan 0.000 0.440 53 I N 0.170 120.769 120.570 0.049 0.000 2.090 53 I HA -0.351 3.818 4.170 -0.001 0.000 0.236 53 I C 3.369 179.540 176.117 0.089 0.000 1.064 53 I CA 1.705 63.019 61.300 0.023 0.000 1.324 53 I CB -0.677 37.284 38.000 -0.065 0.000 1.044 53 I HN 0.238 nan 8.210 nan 0.000 0.399 54 R N 0.883 121.436 120.500 0.087 0.000 2.119 54 R HA -0.268 4.072 4.340 -0.001 0.000 0.246 54 R C 2.185 178.621 176.300 0.226 0.000 1.146 54 R CA 2.367 58.554 56.100 0.145 0.000 0.962 54 R CB -1.598 28.758 30.300 0.095 0.000 0.863 54 R HN 0.326 nan 8.270 nan 0.000 0.442 55 R N -0.167 120.422 120.500 0.148 0.000 2.070 55 R HA 0.088 4.428 4.340 -0.001 0.000 0.233 55 R C 2.676 178.873 176.300 -0.172 0.000 1.137 55 R CA 1.951 58.100 56.100 0.081 0.000 0.945 55 R CB -0.849 29.599 30.300 0.246 0.000 0.845 55 R HN 0.534 nan 8.270 nan 0.000 0.430 56 A N -0.324 122.333 122.820 -0.271 0.000 1.873 56 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 56 A C 2.115 179.609 177.584 -0.151 0.000 1.193 56 A CA 1.678 53.460 52.037 -0.424 0.000 0.629 56 A CB -1.425 17.455 19.000 -0.200 0.000 0.826 56 A HN 0.703 nan 8.150 nan 0.000 0.447 57 W N 0.893 122.100 121.300 -0.156 0.000 2.304 57 W HA -0.266 4.393 4.660 -0.001 0.000 0.315 57 W C 2.044 178.507 176.519 -0.094 0.000 1.233 57 W CA 2.371 59.658 57.345 -0.097 0.000 1.261 57 W CB -0.308 29.122 29.460 -0.050 0.000 1.150 57 W HN 0.526 nan 8.180 nan 0.000 0.494 58 E N -0.604 119.554 120.200 -0.070 0.000 2.031 58 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 58 E C 1.963 178.400 176.600 -0.273 0.000 0.994 58 E CA 1.482 57.739 56.400 -0.238 0.000 0.800 58 E CB -0.656 29.029 29.700 -0.025 0.000 0.752 58 E HN 0.056 nan 8.360 nan 0.000 0.447 59 L N -0.164 120.922 121.223 -0.228 0.000 2.633 59 L HA 0.019 4.358 4.340 -0.001 0.000 0.235 59 L C 1.430 178.176 176.870 -0.207 0.000 1.163 59 L CA 1.525 56.242 54.840 -0.206 0.000 0.859 59 L CB -1.452 40.452 42.059 -0.259 0.000 0.973 59 L HN 0.375 nan 8.230 nan 0.000 0.451 60 G N -0.518 108.120 108.800 -0.270 0.000 2.160 60 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.244 60 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.244 60 G C 0.469 175.232 174.900 -0.228 0.000 1.022 60 G CA 0.125 45.072 45.100 -0.254 0.000 0.741 60 G HN 0.235 nan 8.290 nan 0.000 0.508 61 L N -0.429 120.666 121.223 -0.213 0.000 2.848 61 L HA 0.688 5.028 4.340 -0.001 0.000 0.240 61 L C 0.727 177.523 176.870 -0.124 0.000 1.232 61 L CA 0.431 55.159 54.840 -0.187 0.000 1.031 61 L CB -0.243 41.700 42.059 -0.193 0.000 1.338 61 L HN 0.606 nan 8.230 nan 0.000 0.509 62 M N -0.751 118.795 119.600 -0.090 0.000 2.520 62 M HA 0.311 4.791 4.480 -0.001 0.000 0.283 62 M C -0.624 175.690 176.300 0.024 0.000 1.237 62 M CA -0.237 55.062 55.300 -0.002 0.000 0.885 62 M CB 1.535 34.184 32.600 0.081 0.000 1.727 62 M HN 0.177 nan 8.290 nan 0.000 0.468 63 N N 0.568 119.305 118.700 0.061 0.000 2.721 63 N HA -0.214 4.525 4.740 -0.001 0.000 0.249 63 N C 0.414 175.937 175.510 0.020 0.000 1.072 63 N CA 0.836 53.935 53.050 0.082 0.000 0.710 63 N CB -1.345 37.228 38.487 0.143 0.000 0.993 63 N HN 0.913 nan 8.380 nan 0.000 0.547 64 T N -4.926 109.598 114.554 -0.051 0.000 3.007 64 T HA -0.171 4.178 4.350 -0.001 0.000 0.270 64 T C 1.205 175.798 174.700 -0.178 0.000 1.107 64 T CA 1.354 63.350 62.100 -0.173 0.000 1.118 64 T CB -0.162 68.528 68.868 -0.298 0.000 0.889 64 T HN 0.526 nan 8.240 nan 0.000 0.506 65 H N 0.221 119.266 119.070 -0.040 0.000 2.535 65 H HA 0.402 4.957 4.556 -0.001 0.000 0.273 65 H C 0.563 175.889 175.328 -0.004 0.000 0.983 65 H CA -0.115 55.918 56.048 -0.024 0.000 1.238 65 H CB -0.107 29.645 29.762 -0.018 0.000 1.412 65 H HN 0.380 nan 8.280 nan 0.000 0.562 66 I N 4.033 124.668 120.570 0.108 0.000 2.668 66 I HA 0.006 4.175 4.170 -0.001 0.000 0.285 66 I C -1.988 174.158 176.117 0.048 0.000 1.168 66 I CA -1.740 59.611 61.300 0.086 0.000 1.424 66 I CB 0.606 38.660 38.000 0.091 0.000 1.377 66 I HN 0.014 nan 8.210 nan 0.000 0.560 67 P HA 0.048 nan 4.420 nan 0.000 0.274 67 P C 0.076 177.386 177.300 0.017 0.000 1.237 67 P CA -0.295 62.820 63.100 0.025 0.000 0.793 67 P CB 0.629 32.343 31.700 0.024 0.000 0.977 68 E N 1.450 121.655 120.200 0.008 0.000 2.110 68 E HA -0.304 4.045 4.350 -0.001 0.000 0.193 68 E C 1.439 178.043 176.600 0.007 0.000 0.988 68 E CA 1.365 57.768 56.400 0.005 0.000 0.804 68 E CB -1.120 28.580 29.700 0.001 0.000 0.745 68 E HN 0.197 nan 8.360 nan 0.000 0.458 69 N N 0.168 118.872 118.700 0.007 0.000 2.213 69 N HA -0.251 4.489 4.740 -0.001 0.000 0.173 69 N C 0.663 176.179 175.510 0.009 0.000 0.793 69 N CA 2.108 55.162 53.050 0.007 0.000 0.896 69 N CB -0.899 37.593 38.487 0.009 0.000 1.007 69 N HN 0.479 nan 8.380 nan 0.000 0.988 70 C N -1.325 117.985 119.300 0.016 0.000 2.668 70 C HA 0.565 5.024 4.460 -0.001 0.000 0.301 70 C C 1.355 176.362 174.990 0.030 0.000 1.351 70 C CA -0.292 58.739 59.018 0.021 0.000 1.757 70 C CB -0.584 27.174 27.740 0.030 0.000 2.179 70 C HN 0.660 nan 8.230 nan 0.000 0.586 71 G N 1.083 109.895 108.800 0.021 0.000 2.147 71 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.244 71 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.244 71 G C 0.384 175.295 174.900 0.018 0.000 1.005 71 G CA 0.137 45.248 45.100 0.019 0.000 0.713 71 G HN 0.818 nan 8.290 nan 0.000 0.515 72 G N -1.217 107.595 108.800 0.020 0.000 2.557 72 G HA2 0.611 4.570 3.960 -0.001 0.000 0.292 72 G HA3 0.611 4.570 3.960 -0.001 0.000 0.292 72 G C 0.892 175.783 174.900 -0.016 0.000 1.237 72 G CA -0.352 44.755 45.100 0.012 0.000 0.978 72 G HN 0.541 nan 8.290 nan 0.000 0.498 73 L N 0.492 121.691 121.223 -0.040 0.000 2.558 73 L HA 0.279 4.618 4.340 -0.001 0.000 0.225 73 L C 2.067 178.913 176.870 -0.041 0.000 1.128 73 L CA 0.510 55.319 54.840 -0.052 0.000 0.868 73 L CB -0.725 41.274 42.059 -0.100 0.000 1.006 73 L HN 0.783 nan 8.230 nan 0.000 0.454 74 G N 1.140 109.919 108.800 -0.034 0.000 2.424 74 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.294 74 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.294 74 G C 0.172 175.041 174.900 -0.051 0.000 0.939 74 G CA 0.390 45.474 45.100 -0.027 0.000 1.143 74 G HN 0.312 nan 8.290 nan 0.000 0.507 75 L N -0.488 120.661 121.223 -0.123 0.000 2.431 75 L HA 0.746 5.085 4.340 -0.001 0.000 0.260 75 L C 1.520 178.273 176.870 -0.195 0.000 1.098 75 L CA -0.617 54.133 54.840 -0.149 0.000 0.800 75 L CB 0.696 42.608 42.059 -0.245 0.000 1.210 75 L HN 0.281 nan 8.230 nan 0.000 0.465 76 G N -0.698 108.028 108.800 -0.123 0.000 2.535 76 G HA2 0.275 4.235 3.960 -0.001 0.000 0.282 76 G HA3 0.275 4.235 3.960 -0.001 0.000 0.282 76 G C 0.633 175.456 174.900 -0.129 0.000 1.350 76 G CA -0.127 44.936 45.100 -0.063 0.000 1.039 76 G HN 0.629 nan 8.290 nan 0.000 0.509 77 T N -0.322 114.302 114.554 0.117 0.000 2.812 77 T HA -0.097 4.252 4.350 -0.001 0.000 0.264 77 T C 1.952 176.724 174.700 0.120 0.000 1.042 77 T CA 1.081 63.295 62.100 0.189 0.000 1.140 77 T CB -0.289 68.720 68.868 0.235 0.000 0.870 77 T HN 0.314 nan 8.240 nan 0.000 0.445 78 F N 2.549 122.530 119.950 0.052 0.000 2.161 78 F HA -0.153 4.374 4.527 -0.001 0.000 0.300 78 F C 1.854 177.652 175.800 -0.002 0.000 1.089 78 F CA 1.212 59.259 58.000 0.079 0.000 1.282 78 F CB -0.221 38.844 39.000 0.110 0.000 1.010 78 F HN 0.091 nan 8.300 nan 0.000 0.485 79 D N 0.125 120.618 120.400 0.155 0.000 2.123 79 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 79 D C 2.392 178.592 176.300 -0.166 0.000 0.976 79 D CA 1.361 55.356 54.000 -0.009 0.000 0.831 79 D CB -0.678 40.065 40.800 -0.095 0.000 0.974 79 D HN 0.360 nan 8.370 nan 0.000 0.469 80 A N 0.507 123.208 122.820 -0.198 0.000 1.972 80 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 80 A C 2.503 179.994 177.584 -0.155 0.000 1.169 80 A CA 1.023 52.948 52.037 -0.186 0.000 0.635 80 A CB -0.815 18.106 19.000 -0.133 0.000 0.810 80 A HN 0.310 nan 8.150 nan 0.000 0.446 81 C N -1.237 117.950 119.300 -0.188 0.000 2.476 81 C HA 0.008 4.467 4.460 -0.001 0.000 0.278 81 C C 2.551 177.375 174.990 -0.276 0.000 1.274 81 C CA 0.819 59.644 59.018 -0.322 0.000 1.713 81 C CB -1.509 26.006 27.740 -0.376 0.000 2.039 81 C HN 0.657 nan 8.230 nan 0.000 0.484 82 L N 0.592 121.692 121.223 -0.204 0.000 1.991 82 L HA -0.258 4.081 4.340 -0.001 0.000 0.221 82 L C 2.361 179.204 176.870 -0.045 0.000 1.079 82 L CA 1.996 56.769 54.840 -0.112 0.000 0.778 82 L CB -0.462 41.500 42.059 -0.162 0.000 0.893 82 L HN 0.355 nan 8.230 nan 0.000 0.437 83 I N -1.529 118.995 120.570 -0.077 0.000 2.202 83 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 83 I C 2.541 178.645 176.117 -0.021 0.000 1.091 83 I CA 1.228 62.502 61.300 -0.044 0.000 1.368 83 I CB -0.318 37.615 38.000 -0.111 0.000 1.058 83 I HN 0.152 nan 8.210 nan 0.000 0.410 84 S N 0.006 115.668 115.700 -0.063 0.000 2.383 84 S HA -0.238 4.231 4.470 -0.001 0.000 0.229 84 S C 1.964 176.552 174.600 -0.021 0.000 1.030 84 S CA 1.316 59.489 58.200 -0.044 0.000 1.002 84 S CB -0.324 62.825 63.200 -0.085 0.000 0.829 84 S HN 0.446 nan 8.310 nan 0.000 0.467 85 E N 0.709 120.880 120.200 -0.049 0.000 2.077 85 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 85 E C 1.803 178.466 176.600 0.105 0.000 0.989 85 E CA 0.875 57.291 56.400 0.025 0.000 0.800 85 E CB 0.057 29.808 29.700 0.085 0.000 0.746 85 E HN 0.352 nan 8.360 nan 0.000 0.452 86 E N 0.504 120.760 120.200 0.093 0.000 2.106 86 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 86 E C 2.290 178.986 176.600 0.160 0.000 0.984 86 E CA 0.519 56.984 56.400 0.110 0.000 0.806 86 E CB -0.156 29.599 29.700 0.092 0.000 0.750 86 E HN 0.374 nan 8.360 nan 0.000 0.458 87 L N 0.225 121.533 121.223 0.142 0.000 2.056 87 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 87 L C 2.503 179.454 176.870 0.135 0.000 1.078 87 L CA 1.090 56.023 54.840 0.155 0.000 0.749 87 L CB -0.558 41.583 42.059 0.136 0.000 0.901 87 L HN 0.056 nan 8.230 nan 0.000 0.433 88 A N -0.648 122.246 122.820 0.123 0.000 1.930 88 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 88 A C 2.176 179.829 177.584 0.115 0.000 1.175 88 A CA 1.289 53.392 52.037 0.111 0.000 0.627 88 A CB -0.932 18.121 19.000 0.089 0.000 0.815 88 A HN 0.476 nan 8.150 nan 0.000 0.443 89 Y N 0.864 121.182 120.300 0.030 0.000 2.181 89 Y HA -0.223 4.326 4.550 -0.001 0.000 0.284 89 Y C 2.313 178.225 175.900 0.021 0.000 1.179 89 Y CA 1.682 59.798 58.100 0.028 0.000 1.179 89 Y CB -0.455 38.028 38.460 0.040 0.000 0.973 89 Y HN 0.247 nan 8.280 nan 0.000 0.519 90 G N -1.700 107.199 108.800 0.165 0.000 2.417 90 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.212 90 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.212 90 G C -0.433 174.466 174.900 -0.001 0.000 1.187 90 G CA 0.785 45.923 45.100 0.062 0.000 0.804 90 G HN 0.405 nan 8.290 nan 0.000 0.534 91 C N -0.080 119.234 119.300 0.024 0.000 3.178 91 C HA 0.452 4.912 4.460 -0.001 0.000 0.428 91 C C 1.428 176.446 174.990 0.047 0.000 0.967 91 C CA 0.074 59.103 59.018 0.017 0.000 1.205 91 C CB 0.653 28.390 27.740 -0.004 0.000 1.584 91 C HN 0.502 nan 8.230 nan 0.000 0.591 92 T N 1.458 116.057 114.554 0.076 0.000 3.014 92 T HA 0.104 4.454 4.350 -0.001 0.000 0.263 92 T C 1.812 176.567 174.700 0.091 0.000 1.078 92 T CA 1.500 63.683 62.100 0.139 0.000 1.135 92 T CB -0.158 68.874 68.868 0.274 0.000 0.895 92 T HN 1.128 nan 8.240 nan 0.000 0.480 93 G N 1.841 110.667 108.800 0.044 0.000 2.480 93 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 93 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 93 G C 1.569 176.449 174.900 -0.032 0.000 1.200 93 G CA 1.128 46.234 45.100 0.009 0.000 0.782 93 G HN 0.433 nan 8.290 nan 0.000 0.554 94 V N 0.732 120.607 119.914 -0.065 0.000 2.220 94 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 94 V C 2.853 178.926 176.094 -0.035 0.000 1.049 94 V CA 2.290 64.527 62.300 -0.104 0.000 1.003 94 V CB -0.601 31.169 31.823 -0.088 0.000 0.634 94 V HN 0.416 nan 8.190 nan 0.000 0.444 95 Q N -0.311 119.503 119.800 0.023 0.000 2.197 95 Q HA -0.234 4.105 4.340 -0.001 0.000 0.207 95 Q C 2.215 178.238 176.000 0.038 0.000 0.984 95 Q CA 2.529 58.361 55.803 0.050 0.000 0.869 95 Q CB -0.567 28.220 28.738 0.083 0.000 0.906 95 Q HN 0.677 nan 8.270 nan 0.000 0.426 96 T N 0.777 115.357 114.554 0.044 0.000 2.674 96 T HA -0.103 4.246 4.350 -0.001 0.000 0.265 96 T C 1.748 176.447 174.700 -0.002 0.000 1.039 96 T CA 1.773 63.887 62.100 0.024 0.000 1.150 96 T CB -0.390 68.513 68.868 0.058 0.000 0.864 96 T HN 0.500 nan 8.240 nan 0.000 0.427 97 A N 0.864 123.682 122.820 -0.004 0.000 1.908 97 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 97 A C 2.251 179.836 177.584 0.002 0.000 1.181 97 A CA 1.447 53.489 52.037 0.009 0.000 0.627 97 A CB -0.836 18.102 19.000 -0.103 0.000 0.818 97 A HN 0.541 nan 8.150 nan 0.000 0.445 98 I N -0.836 119.724 120.570 -0.015 0.000 2.163 98 I HA -0.232 3.937 4.170 -0.001 0.000 0.243 98 I C 2.719 178.834 176.117 -0.002 0.000 1.085 98 I CA 1.787 63.087 61.300 0.001 0.000 1.347 98 I CB -0.278 37.729 38.000 0.011 0.000 1.044 98 I HN 0.454 nan 8.210 nan 0.000 0.408 99 E N 0.789 120.980 120.200 -0.015 0.000 2.208 99 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 99 E C 2.201 178.765 176.600 -0.060 0.000 0.988 99 E CA 0.866 57.244 56.400 -0.035 0.000 0.828 99 E CB -0.725 28.944 29.700 -0.053 0.000 0.763 99 E HN 0.668 nan 8.360 nan 0.000 0.478 100 G N 0.837 109.606 108.800 -0.052 0.000 2.513 100 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.219 100 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.219 100 G C 1.631 176.501 174.900 -0.050 0.000 1.160 100 G CA 1.244 46.315 45.100 -0.048 0.000 0.767 100 G HN 0.499 nan 8.290 nan 0.000 0.571 101 N N 0.507 119.182 118.700 -0.041 0.000 2.166 101 N HA -0.047 4.692 4.740 -0.001 0.000 0.186 101 N C 2.453 177.951 175.510 -0.020 0.000 1.019 101 N CA 1.296 54.313 53.050 -0.055 0.000 0.856 101 N CB -0.226 38.250 38.487 -0.019 0.000 0.993 101 N HN 0.260 nan 8.380 nan 0.000 0.426 102 S N 0.138 115.832 115.700 -0.010 0.000 2.406 102 S HA 0.099 4.568 4.470 -0.001 0.000 0.228 102 S C 1.882 176.437 174.600 -0.076 0.000 1.020 102 S CA 0.223 58.417 58.200 -0.010 0.000 0.965 102 S CB -0.065 63.145 63.200 0.018 0.000 0.798 102 S HN 0.245 nan 8.310 nan 0.000 0.488 103 L N 1.053 122.214 121.223 -0.104 0.000 2.017 103 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 103 L C 2.635 179.509 176.870 0.007 0.000 1.073 103 L CA 1.378 56.117 54.840 -0.167 0.000 0.745 103 L CB -0.859 41.062 42.059 -0.230 0.000 0.894 103 L HN 0.434 nan 8.230 nan 0.000 0.432 104 G N -1.427 107.411 108.800 0.063 0.000 2.418 104 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 104 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 104 G C 1.453 176.496 174.900 0.238 0.000 1.158 104 G CA 0.465 45.646 45.100 0.135 0.000 0.771 104 G HN 0.386 nan 8.290 nan 0.000 0.545 105 Q N -1.077 118.835 119.800 0.185 0.000 2.079 105 Q HA 0.005 4.344 4.340 -0.001 0.000 0.200 105 Q C 2.475 178.530 176.000 0.093 0.000 0.974 105 Q CA 1.200 57.165 55.803 0.270 0.000 0.840 105 Q CB -0.231 28.627 28.738 0.200 0.000 0.898 105 Q HN 0.377 nan 8.270 nan 0.000 0.430 106 M N 0.858 120.432 119.600 -0.044 0.000 2.088 106 M HA -0.153 4.326 4.480 -0.001 0.000 0.256 106 M C -1.198 175.001 176.300 -0.168 0.000 1.071 106 M CA 1.924 57.130 55.300 -0.156 0.000 1.097 106 M CB -0.970 31.477 32.600 -0.255 0.000 1.315 106 M HN 0.007 nan 8.290 nan 0.000 0.406 107 P HA -0.076 nan 4.420 nan 0.000 0.220 107 P C 1.612 178.839 177.300 -0.120 0.000 1.148 107 P CA 1.406 64.314 63.100 -0.320 0.000 0.803 107 P CB -0.191 31.014 31.700 -0.824 0.000 0.782 108 I N -1.632 118.920 120.570 -0.029 0.000 2.480 108 I HA -0.108 4.062 4.170 -0.001 0.000 0.251 108 I C 2.244 178.358 176.117 -0.005 0.000 1.124 108 I CA 0.733 62.033 61.300 0.000 0.000 1.444 108 I CB -0.273 37.733 38.000 0.010 0.000 1.098 108 I HN -0.156 nan 8.210 nan 0.000 0.428 109 I N 1.511 122.081 120.570 -0.000 0.000 2.127 109 I HA -0.301 3.869 4.170 -0.001 0.000 0.241 109 I C 2.531 178.634 176.117 -0.023 0.000 1.075 109 I CA 1.915 63.214 61.300 -0.001 0.000 1.334 109 I CB -0.341 37.657 38.000 -0.002 0.000 1.040 109 I HN 0.256 nan 8.210 nan 0.000 0.405 110 I N -1.459 119.079 120.570 -0.054 0.000 2.761 110 I HA 0.061 4.231 4.170 -0.001 0.000 0.261 110 I C 1.834 177.926 176.117 -0.042 0.000 1.198 110 I CA 1.253 62.521 61.300 -0.054 0.000 1.482 110 I CB -0.163 37.789 38.000 -0.080 0.000 1.100 110 I HN 0.075 nan 8.210 nan 0.000 0.445 111 A N 0.925 123.720 122.820 -0.041 0.000 2.671 111 A HA 0.588 4.908 4.320 -0.001 0.000 0.265 111 A C 0.999 178.571 177.584 -0.019 0.000 1.148 111 A CA 0.149 52.168 52.037 -0.030 0.000 0.977 111 A CB -0.344 18.634 19.000 -0.038 0.000 1.242 111 A HN 0.416 nan 8.150 nan 0.000 0.591 112 G N 0.829 109.620 108.800 -0.015 0.000 2.537 112 G HA2 0.422 4.381 3.960 -0.001 0.000 0.273 112 G HA3 0.422 4.381 3.960 -0.001 0.000 0.273 112 G C -0.047 174.851 174.900 -0.004 0.000 1.189 112 G CA -0.156 44.939 45.100 -0.008 0.000 0.881 112 G HN 0.555 nan 8.290 nan 0.000 0.535 113 N N -0.740 117.960 118.700 0.000 0.000 2.405 113 N HA 0.185 4.925 4.740 -0.001 0.000 0.269 113 N C 0.236 175.747 175.510 0.001 0.000 1.249 113 N CA -0.469 52.582 53.050 0.001 0.000 0.974 113 N CB 0.782 39.271 38.487 0.004 0.000 1.204 113 N HN 0.384 nan 8.380 nan 0.000 0.565 114 D N -1.448 118.951 120.400 -0.002 0.000 2.178 114 D HA -0.193 4.446 4.640 -0.001 0.000 0.201 114 D C 1.597 177.889 176.300 -0.013 0.000 0.980 114 D CA 0.993 54.989 54.000 -0.005 0.000 0.842 114 D CB 0.043 40.839 40.800 -0.006 0.000 0.948 114 D HN 0.671 nan 8.370 nan 0.000 0.472 115 Q N 0.636 120.429 119.800 -0.012 0.000 1.993 115 Q HA -0.256 4.084 4.340 -0.001 0.000 0.202 115 Q C 2.004 177.985 176.000 -0.031 0.000 0.984 115 Q CA 1.353 57.141 55.803 -0.025 0.000 0.837 115 Q CB -0.060 28.670 28.738 -0.012 0.000 0.902 115 Q HN 0.345 nan 8.270 nan 0.000 0.423 116 Q N 0.127 119.935 119.800 0.013 0.000 2.152 116 Q HA -0.205 4.135 4.340 -0.001 0.000 0.206 116 Q C 2.096 178.123 176.000 0.046 0.000 0.985 116 Q CA 1.936 57.785 55.803 0.076 0.000 0.863 116 Q CB 0.052 28.824 28.738 0.056 0.000 0.904 116 Q HN 0.304 nan 8.270 nan 0.000 0.422 117 K N 0.213 120.615 120.400 0.004 0.000 2.021 117 K HA -0.097 4.222 4.320 -0.001 0.000 0.205 117 K C 2.029 178.617 176.600 -0.019 0.000 1.047 117 K CA 0.926 57.214 56.287 0.000 0.000 0.943 117 K CB 0.043 32.547 32.500 0.007 0.000 0.725 117 K HN -0.129 nan 8.250 nan 0.000 0.439 118 K N 1.369 121.749 120.400 -0.034 0.000 2.032 118 K HA -0.159 4.161 4.320 -0.001 0.000 0.209 118 K C 1.896 178.434 176.600 -0.104 0.000 1.048 118 K CA 1.560 57.818 56.287 -0.049 0.000 0.927 118 K CB -0.090 32.382 32.500 -0.046 0.000 0.712 118 K HN 0.000 nan 8.250 nan 0.000 0.441 119 K N -1.044 119.245 120.400 -0.185 0.000 1.973 119 K HA -0.128 4.191 4.320 -0.001 0.000 0.212 119 K C 1.799 178.117 176.600 -0.471 0.000 1.047 119 K CA 1.741 57.790 56.287 -0.397 0.000 0.937 119 K CB -0.164 31.977 32.500 -0.599 0.000 0.721 119 K HN 0.122 nan 8.250 nan 0.000 0.440 120 Y N 0.070 120.222 120.300 -0.247 0.000 2.510 120 Y HA 0.109 4.658 4.550 -0.001 0.000 0.273 120 Y C 1.641 177.432 175.900 -0.182 0.000 1.119 120 Y CA 0.288 58.115 58.100 -0.455 0.000 1.286 120 Y CB 0.303 38.134 38.460 -1.048 0.000 1.061 120 Y HN 0.022 nan 8.280 nan 0.000 0.542 121 L N -1.848 119.410 121.223 0.057 0.000 2.200 121 L HA 0.143 4.482 4.340 -0.001 0.000 0.200 121 L C 2.645 179.592 176.870 0.130 0.000 1.072 121 L CA 0.801 55.736 54.840 0.159 0.000 0.787 121 L CB -1.117 41.015 42.059 0.120 0.000 0.957 121 L HN 0.220 nan 8.230 nan 0.000 0.459 122 G N 2.013 110.848 108.800 0.057 0.000 2.624 122 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.221 122 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.221 122 G C 1.630 176.577 174.900 0.079 0.000 1.169 122 G CA 1.586 46.714 45.100 0.047 0.000 0.771 122 G HN 0.503 nan 8.290 nan 0.000 0.598 123 R N -0.410 120.134 120.500 0.073 0.000 2.152 123 R HA 0.054 4.394 4.340 -0.001 0.000 0.232 123 R C 2.306 178.691 176.300 0.142 0.000 1.117 123 R CA 1.541 57.694 56.100 0.089 0.000 0.981 123 R CB -0.417 29.926 30.300 0.072 0.000 0.870 123 R HN 0.307 nan 8.270 nan 0.000 0.451 124 M N 0.989 120.710 119.600 0.202 0.000 2.229 124 M HA -0.036 4.443 4.480 -0.001 0.000 0.264 124 M C 1.813 178.318 176.300 0.342 0.000 1.063 124 M CA 1.528 56.968 55.300 0.233 0.000 1.114 124 M CB -0.961 31.801 32.600 0.269 0.000 1.387 124 M HN 0.147 nan 8.290 nan 0.000 0.420 125 T N 1.157 115.878 114.554 0.278 0.000 2.788 125 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 125 T C 2.162 177.088 174.700 0.377 0.000 1.044 125 T CA 2.126 64.391 62.100 0.275 0.000 1.139 125 T CB -0.199 68.754 68.868 0.141 0.000 0.867 125 T HN 0.687 nan 8.240 nan 0.000 0.454 126 E N 1.240 121.618 120.200 0.298 0.000 2.318 126 E HA 0.141 4.490 4.350 -0.001 0.000 0.193 126 E C 0.727 177.527 176.600 0.332 0.000 0.998 126 E CA 0.785 57.348 56.400 0.272 0.000 0.859 126 E CB -0.207 29.574 29.700 0.135 0.000 0.812 126 E HN 0.869 nan 8.360 nan 0.000 0.492 127 E N -1.696 118.600 120.200 0.160 0.000 2.423 127 E HA 0.368 4.717 4.350 -0.001 0.000 0.280 127 E C -2.921 173.107 176.600 -0.953 0.000 1.030 127 E CA -1.930 54.206 56.400 -0.440 0.000 0.812 127 E CB 2.222 31.765 29.700 -0.263 0.000 1.313 127 E HN -0.064 nan 8.360 nan 0.000 0.456 128 P HA 0.187 nan 4.420 nan 0.000 0.225 128 P C -0.410 176.579 177.300 -0.519 0.000 1.813 128 P CA -0.109 62.193 63.100 -1.330 0.000 1.013 128 P CB -0.122 30.913 31.700 -1.109 0.000 1.961 129 L N 1.433 122.464 121.223 -0.320 0.000 2.453 129 L HA 0.300 4.640 4.340 -0.001 0.000 0.261 129 L C 1.042 177.842 176.870 -0.117 0.000 1.179 129 L CA -0.425 54.325 54.840 -0.151 0.000 0.813 129 L CB 0.404 42.437 42.059 -0.044 0.000 1.110 129 L HN 0.122 nan 8.230 nan 0.000 0.466 130 M N 1.371 120.896 119.600 -0.126 0.000 2.753 130 M HA 0.560 5.040 4.480 -0.001 0.000 0.299 130 M C -0.550 175.552 176.300 -0.331 0.000 1.219 130 M CA -0.790 54.422 55.300 -0.146 0.000 0.900 130 M CB 1.545 34.098 32.600 -0.077 0.000 1.628 130 M HN 0.797 nan 8.290 nan 0.000 0.502 131 C N -0.869 118.197 119.300 -0.390 0.000 3.292 131 C HA 0.997 5.456 4.460 -0.001 0.000 0.338 131 C C -1.278 173.497 174.990 -0.357 0.000 1.323 131 C CA -1.050 57.550 59.018 -0.696 0.000 1.232 131 C CB 0.859 27.690 27.740 -1.515 0.000 1.517 131 C HN 1.194 nan 8.230 nan 0.000 0.470 132 A N 0.312 122.996 122.820 -0.228 0.000 2.515 132 A HA 0.837 5.157 4.320 -0.001 0.000 0.296 132 A C -1.903 175.833 177.584 0.252 0.000 1.094 132 A CA -0.500 51.594 52.037 0.095 0.000 0.718 132 A CB 1.349 20.509 19.000 0.266 0.000 1.307 132 A HN 1.789 nan 8.150 nan 0.000 0.408 133 Y N 0.678 121.060 120.300 0.136 0.000 2.369 133 Y HA 0.482 5.031 4.550 -0.001 0.000 0.337 133 Y C -0.649 175.367 175.900 0.192 0.000 0.961 133 Y CA -0.521 57.707 58.100 0.214 0.000 1.186 133 Y CB 1.125 39.651 38.460 0.111 0.000 1.139 133 Y HN 0.661 nan 8.280 nan 0.000 0.494 134 C N 7.030 126.361 119.300 0.053 0.000 2.206 134 C HA 0.439 4.899 4.460 -0.001 0.000 0.324 134 C C 0.890 175.791 174.990 -0.148 0.000 1.120 134 C CA -0.499 58.491 59.018 -0.047 0.000 1.546 134 C CB -0.858 26.789 27.740 -0.154 0.000 2.023 134 C HN 0.929 nan 8.230 nan 0.000 0.448 135 V N 1.568 121.485 119.914 0.004 0.000 3.103 135 V HA 0.065 4.185 4.120 -0.001 0.000 0.229 135 V C 1.210 177.352 176.094 0.079 0.000 1.304 135 V CA 0.674 62.983 62.300 0.016 0.000 1.298 135 V CB -0.408 31.489 31.823 0.123 0.000 1.093 135 V HN 0.701 nan 8.190 nan 0.000 0.489 136 T N 2.221 116.873 114.554 0.163 0.000 2.932 136 T HA 0.306 4.655 4.350 -0.001 0.000 0.312 136 T C -0.240 174.522 174.700 0.103 0.000 1.071 136 T CA 0.530 62.732 62.100 0.170 0.000 1.128 136 T CB 0.582 69.613 68.868 0.271 0.000 0.984 136 T HN 0.405 nan 8.240 nan 0.000 0.549 137 E N 2.158 122.413 120.200 0.092 0.000 2.369 137 E HA 0.249 4.599 4.350 -0.001 0.000 0.270 137 E C -1.914 174.706 176.600 0.033 0.000 0.909 137 E CA -2.320 54.101 56.400 0.035 0.000 0.775 137 E CB 1.813 31.536 29.700 0.037 0.000 1.270 137 E HN 0.207 nan 8.360 nan 0.000 0.445 138 P HA -0.164 nan 4.420 nan 0.000 0.218 138 P C 0.862 178.190 177.300 0.046 0.000 1.146 138 P CA 1.272 64.362 63.100 -0.016 0.000 0.820 138 P CB 0.218 31.890 31.700 -0.047 0.000 0.778 139 G N -2.525 106.306 108.800 0.051 0.000 3.044 139 G HA2 0.460 4.420 3.960 -0.001 0.000 0.223 139 G HA3 0.460 4.420 3.960 -0.001 0.000 0.223 139 G C 0.108 175.054 174.900 0.077 0.000 1.123 139 G CA 0.576 45.713 45.100 0.062 0.000 0.765 139 G HN 0.454 nan 8.290 nan 0.000 0.546 140 A N -0.978 121.895 122.820 0.088 0.000 2.488 140 A HA 0.737 5.057 4.320 -0.001 0.000 0.295 140 A C 0.329 177.979 177.584 0.112 0.000 1.045 140 A CA 0.311 52.404 52.037 0.093 0.000 0.703 140 A CB 1.256 20.308 19.000 0.087 0.000 1.271 140 A HN 0.563 nan 8.150 nan 0.000 0.400 141 G N 0.022 108.888 108.800 0.111 0.000 2.467 141 G HA2 0.300 4.259 3.960 -0.001 0.000 0.178 141 G HA3 0.300 4.259 3.960 -0.001 0.000 0.178 141 G C 1.347 176.296 174.900 0.082 0.000 1.461 141 G CA 1.118 46.291 45.100 0.121 0.000 0.675 141 G HN 0.752 nan 8.290 nan 0.000 0.659 142 S N 0.932 116.666 115.700 0.056 0.000 2.368 142 S HA -0.141 4.328 4.470 -0.001 0.000 0.226 142 S C 1.125 175.753 174.600 0.046 0.000 1.044 142 S CA 1.633 59.850 58.200 0.027 0.000 1.062 142 S CB -0.288 62.924 63.200 0.020 0.000 0.931 142 S HN 0.460 nan 8.310 nan 0.000 0.440 143 D N 1.369 121.809 120.400 0.068 0.000 2.508 143 D HA 0.213 4.852 4.640 -0.001 0.000 0.224 143 D C 0.737 177.099 176.300 0.104 0.000 1.171 143 D CA -0.089 53.965 54.000 0.090 0.000 1.006 143 D CB 0.194 41.045 40.800 0.085 0.000 1.073 143 D HN -0.056 nan 8.370 nan 0.000 0.513 144 V N 2.894 122.878 119.914 0.117 0.000 2.626 144 V HA -0.162 3.957 4.120 -0.001 0.000 0.252 144 V C 2.255 178.373 176.094 0.039 0.000 1.067 144 V CA 1.763 64.108 62.300 0.076 0.000 1.081 144 V CB -0.508 31.335 31.823 0.034 0.000 0.686 144 V HN 0.635 nan 8.190 nan 0.000 0.468 145 A N 0.214 123.146 122.820 0.186 0.000 2.235 145 A HA 0.202 4.521 4.320 -0.001 0.000 0.208 145 A C 2.059 179.802 177.584 0.266 0.000 1.172 145 A CA 1.010 53.150 52.037 0.171 0.000 0.786 145 A CB -0.494 18.591 19.000 0.142 0.000 0.804 145 A HN 0.525 nan 8.150 nan 0.000 0.479 146 G N 0.111 109.009 108.800 0.164 0.000 3.088 146 G HA2 0.344 4.303 3.960 -0.001 0.000 0.217 146 G HA3 0.344 4.303 3.960 -0.001 0.000 0.217 146 G C 0.567 175.561 174.900 0.156 0.000 1.159 146 G CA 0.215 45.409 45.100 0.156 0.000 0.760 146 G HN 0.645 nan 8.290 nan 0.000 0.550 147 I N -2.044 118.616 120.570 0.151 0.000 2.648 147 I HA 0.341 4.510 4.170 -0.001 0.000 0.284 147 I C 0.859 177.104 176.117 0.214 0.000 1.153 147 I CA -0.201 61.182 61.300 0.139 0.000 1.426 147 I CB 0.946 38.980 38.000 0.058 0.000 1.381 147 I HN -0.307 nan 8.210 nan 0.000 0.571 148 K N 2.910 123.385 120.400 0.126 0.000 2.367 148 K HA 0.154 4.474 4.320 -0.001 0.000 0.195 148 K C 0.316 176.955 176.600 0.065 0.000 1.060 148 K CA 0.223 56.569 56.287 0.099 0.000 1.022 148 K CB -0.112 32.427 32.500 0.066 0.000 0.894 148 K HN 0.778 nan 8.250 nan 0.000 0.540 149 T N 3.163 117.739 114.554 0.038 0.000 2.765 149 T HA -0.063 4.287 4.350 -0.001 0.000 0.275 149 T C 0.070 174.768 174.700 -0.003 0.000 1.007 149 T CA 0.801 62.891 62.100 -0.016 0.000 1.175 149 T CB 0.173 68.983 68.868 -0.098 0.000 0.993 149 T HN -0.085 nan 8.240 nan 0.000 0.510 150 K N 2.086 122.475 120.400 -0.019 0.000 2.183 150 K HA 0.698 5.017 4.320 -0.001 0.000 0.274 150 K C 0.164 176.749 176.600 -0.025 0.000 1.009 150 K CA -0.813 55.474 56.287 -0.000 0.000 0.888 150 K CB 1.969 34.471 32.500 0.004 0.000 1.078 150 K HN 0.741 nan 8.250 nan 0.000 0.459 151 A N 2.609 125.449 122.820 0.032 0.000 2.291 151 A HA 0.490 4.810 4.320 -0.001 0.000 0.311 151 A C -0.271 177.415 177.584 0.169 0.000 1.224 151 A CA -0.824 51.250 52.037 0.061 0.000 0.821 151 A CB 0.235 19.311 19.000 0.127 0.000 1.172 151 A HN 0.880 nan 8.150 nan 0.000 0.494 152 E N 2.850 123.125 120.200 0.124 0.000 2.133 152 E HA 0.396 4.746 4.350 -0.001 0.000 0.274 152 E C -0.535 176.094 176.600 0.047 0.000 0.930 152 E CA -0.836 55.623 56.400 0.098 0.000 0.770 152 E CB 1.457 31.174 29.700 0.028 0.000 1.104 152 E HN 0.489 nan 8.360 nan 0.000 0.403 153 K N 2.492 122.853 120.400 -0.066 0.000 2.489 153 K HA -0.042 4.277 4.320 -0.001 0.000 0.278 153 K C -0.360 176.100 176.600 -0.234 0.000 1.000 153 K CA 0.467 56.484 56.287 -0.450 0.000 1.012 153 K CB 0.412 32.650 32.500 -0.437 0.000 0.903 153 K HN 0.507 nan 8.250 nan 0.000 0.485 154 K N 1.934 122.187 120.400 -0.245 0.000 3.302 154 K HA 0.177 4.497 4.320 -0.001 0.000 0.186 154 K C -0.662 175.872 176.600 -0.109 0.000 1.232 154 K CA 0.374 56.587 56.287 -0.123 0.000 0.756 154 K CB 0.340 32.798 32.500 -0.071 0.000 1.076 154 K HN 0.923 nan 8.250 nan 0.000 0.544 155 G N -0.059 108.670 108.800 -0.119 0.000 2.466 155 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 155 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 155 G C 0.042 174.888 174.900 -0.091 0.000 1.237 155 G CA -0.094 44.957 45.100 -0.082 0.000 0.954 155 G HN 0.360 nan 8.290 nan 0.000 0.580 156 D N 1.430 121.805 120.400 -0.042 0.000 2.652 156 D HA 0.495 5.134 4.640 -0.001 0.000 0.247 156 D C 0.714 177.028 176.300 0.023 0.000 1.232 156 D CA 1.838 55.832 54.000 -0.010 0.000 0.863 156 D CB -0.710 40.096 40.800 0.009 0.000 1.023 156 D HN 1.057 nan 8.370 nan 0.000 0.474 157 E N -2.252 117.939 120.200 -0.015 0.000 2.392 157 E HA 0.432 4.781 4.350 -0.001 0.000 0.281 157 E C -1.752 174.842 176.600 -0.010 0.000 1.088 157 E CA -0.881 55.564 56.400 0.076 0.000 0.850 157 E CB 0.651 30.392 29.700 0.068 0.000 1.267 157 E HN 0.128 nan 8.360 nan 0.000 0.438 158 Y N 0.346 120.654 120.300 0.014 0.000 2.567 158 Y HA 0.579 5.129 4.550 -0.001 0.000 0.333 158 Y C 0.025 175.868 175.900 -0.095 0.000 1.106 158 Y CA -1.206 56.882 58.100 -0.021 0.000 1.157 158 Y CB 1.370 39.829 38.460 -0.001 0.000 1.277 158 Y HN 0.402 nan 8.280 nan 0.000 0.490 159 I N 3.776 124.389 120.570 0.072 0.000 2.410 159 I HA 0.252 4.421 4.170 -0.001 0.000 0.286 159 I C -0.867 175.214 176.117 -0.060 0.000 1.009 159 I CA -0.899 60.397 61.300 -0.007 0.000 1.111 159 I CB 1.092 39.093 38.000 0.002 0.000 1.262 159 I HN 0.402 nan 8.210 nan 0.000 0.443 160 I N 5.890 126.388 120.570 -0.119 0.000 2.342 160 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 160 I C -0.087 175.996 176.117 -0.058 0.000 1.010 160 I CA -0.340 60.847 61.300 -0.187 0.000 1.308 160 I CB 0.622 38.412 38.000 -0.349 0.000 1.400 160 I HN 0.536 nan 8.210 nan 0.000 0.488 161 N N 3.513 122.177 118.700 -0.060 0.000 2.310 161 N HA 0.797 5.536 4.740 -0.001 0.000 0.292 161 N C -0.096 175.414 175.510 -0.000 0.000 1.049 161 N CA -0.408 52.647 53.050 0.008 0.000 0.849 161 N CB 2.613 41.104 38.487 0.007 0.000 1.532 161 N HN 0.919 nan 8.380 nan 0.000 0.479 162 G N 0.573 109.410 108.800 0.061 0.000 2.339 162 G HA2 0.150 4.109 3.960 -0.001 0.000 0.275 162 G HA3 0.150 4.109 3.960 -0.001 0.000 0.275 162 G C -2.110 172.862 174.900 0.120 0.000 1.323 162 G CA -0.795 44.334 45.100 0.049 0.000 0.927 162 G HN 0.548 nan 8.290 nan 0.000 0.486 163 Q N -0.080 119.764 119.800 0.072 0.000 2.271 163 Q HA 0.588 4.928 4.340 -0.001 0.000 0.268 163 Q C -0.923 175.099 176.000 0.036 0.000 1.021 163 Q CA -0.920 54.923 55.803 0.068 0.000 0.802 163 Q CB 1.499 30.240 28.738 0.005 0.000 1.282 163 Q HN 0.412 nan 8.270 nan 0.000 0.431 164 K N 2.179 122.611 120.400 0.055 0.000 2.245 164 K HA 0.692 5.011 4.320 -0.001 0.000 0.234 164 K C -0.730 175.829 176.600 -0.068 0.000 1.021 164 K CA -0.845 55.446 56.287 0.007 0.000 0.898 164 K CB 1.309 33.830 32.500 0.035 0.000 1.163 164 K HN 0.741 nan 8.250 nan 0.000 0.459 165 M N -0.931 118.616 119.600 -0.089 0.000 2.562 165 M HA 0.235 4.715 4.480 -0.001 0.000 0.281 165 M C -1.759 174.466 176.300 -0.125 0.000 1.195 165 M CA -0.052 55.080 55.300 -0.280 0.000 0.888 165 M CB 1.157 33.477 32.600 -0.466 0.000 1.731 165 M HN 0.655 nan 8.290 nan 0.000 0.493 166 W N 3.786 125.110 121.300 0.039 0.000 4.949 166 W HA -0.160 4.499 4.660 -0.001 0.000 0.380 166 W C -0.632 175.927 176.519 0.066 0.000 1.446 166 W CA -0.430 56.947 57.345 0.053 0.000 0.869 166 W CB -1.630 27.869 29.460 0.066 0.000 2.591 166 W HN 0.440 nan 8.180 nan 0.000 1.398 167 I N 1.150 121.837 120.570 0.194 0.000 2.308 167 I HA 0.086 4.255 4.170 -0.001 0.000 0.293 167 I C 1.332 177.540 176.117 0.153 0.000 1.078 167 I CA -0.203 61.193 61.300 0.161 0.000 1.292 167 I CB -0.246 37.802 38.000 0.079 0.000 1.423 167 I HN -0.136 nan 8.210 nan 0.000 0.493 168 T N 6.888 121.535 114.554 0.156 0.000 2.905 168 T HA -0.037 4.313 4.350 -0.001 0.000 0.299 168 T C 1.110 175.875 174.700 0.109 0.000 1.024 168 T CA 0.651 62.825 62.100 0.123 0.000 1.151 168 T CB -0.356 68.554 68.868 0.069 0.000 0.987 168 T HN 0.733 nan 8.240 nan 0.000 0.535 169 N N 0.763 119.524 118.700 0.102 0.000 2.778 169 N HA -0.242 4.497 4.740 -0.001 0.000 0.249 169 N C 1.544 177.076 175.510 0.037 0.000 1.069 169 N CA 0.317 53.393 53.050 0.044 0.000 0.831 169 N CB -1.105 37.409 38.487 0.044 0.000 1.142 169 N HN 0.799 nan 8.380 nan 0.000 0.573 170 G N 0.516 109.361 108.800 0.075 0.000 2.513 170 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 170 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 170 G C 1.213 176.171 174.900 0.096 0.000 1.160 170 G CA 1.320 46.484 45.100 0.106 0.000 0.767 170 G HN 0.490 nan 8.290 nan 0.000 0.571 171 G N -1.188 107.603 108.800 -0.015 0.000 3.434 171 G HA2 0.397 4.356 3.960 -0.001 0.000 0.258 171 G HA3 0.397 4.356 3.960 -0.001 0.000 0.258 171 G C 0.934 175.744 174.900 -0.151 0.000 1.128 171 G CA -0.055 45.009 45.100 -0.061 0.000 0.792 171 G HN 0.359 nan 8.290 nan 0.000 0.539 172 K N 0.173 120.455 120.400 -0.197 0.000 2.501 172 K HA 0.498 4.817 4.320 -0.001 0.000 0.204 172 K C 0.489 176.973 176.600 -0.194 0.000 1.067 172 K CA -0.089 56.020 56.287 -0.297 0.000 1.060 172 K CB 1.243 33.334 32.500 -0.682 0.000 0.873 172 K HN 0.208 nan 8.250 nan 0.000 0.540 173 A N -0.009 122.710 122.820 -0.168 0.000 2.320 173 A HA 0.363 4.682 4.320 -0.001 0.000 0.334 173 A C 0.374 177.773 177.584 -0.309 0.000 1.147 173 A CA -0.613 51.266 52.037 -0.265 0.000 0.820 173 A CB 0.797 19.604 19.000 -0.321 0.000 1.218 173 A HN 0.233 nan 8.150 nan 0.000 0.482 174 N N 0.227 118.740 118.700 -0.313 0.000 2.305 174 N HA 0.043 4.782 4.740 -0.001 0.000 0.179 174 N C -0.212 175.249 175.510 -0.080 0.000 1.019 174 N CA 0.967 53.940 53.050 -0.129 0.000 0.869 174 N CB 0.109 38.622 38.487 0.044 0.000 1.000 174 N HN 0.784 nan 8.380 nan 0.000 0.431 175 W N -0.546 120.575 121.300 -0.298 0.000 3.042 175 W HA 0.398 5.057 4.660 -0.001 0.000 0.342 175 W C -2.082 174.182 176.519 -0.424 0.000 1.240 175 W CA -0.758 56.357 57.345 -0.383 0.000 1.166 175 W CB -0.012 29.354 29.460 -0.157 0.000 1.469 175 W HN -0.254 nan 8.180 nan 0.000 0.579 176 Y N 1.511 122.011 120.300 0.333 0.000 2.376 176 Y HA 0.384 4.933 4.550 -0.001 0.000 0.340 176 Y C -0.223 175.880 175.900 0.338 0.000 0.965 176 Y CA -1.735 56.491 58.100 0.211 0.000 1.078 176 Y CB 1.529 40.076 38.460 0.145 0.000 1.193 176 Y HN 0.281 nan 8.280 nan 0.000 0.452 177 F N 4.952 125.110 119.950 0.347 0.000 2.543 177 F HA 0.421 4.947 4.527 -0.001 0.000 0.375 177 F C -0.942 174.863 175.800 0.008 0.000 1.075 177 F CA -0.348 57.735 58.000 0.138 0.000 1.225 177 F CB 0.094 39.096 39.000 0.003 0.000 1.099 177 F HN 0.486 nan 8.300 nan 0.000 0.561 178 L N 7.364 128.142 121.223 -0.742 0.000 2.354 178 L HA 0.664 5.003 4.340 -0.001 0.000 0.269 178 L C -1.827 174.462 176.870 -0.968 0.000 1.005 178 L CA -1.118 53.307 54.840 -0.693 0.000 0.819 178 L CB 1.725 43.544 42.059 -0.400 0.000 1.311 178 L HN 0.749 nan 8.230 nan 0.000 0.423 179 L N 4.557 125.388 121.223 -0.653 0.000 2.381 179 L HA 0.944 5.284 4.340 -0.001 0.000 0.274 179 L C -1.034 175.767 176.870 -0.115 0.000 0.988 179 L CA 0.049 54.666 54.840 -0.372 0.000 0.824 179 L CB 1.613 43.506 42.059 -0.276 0.000 1.263 179 L HN 0.709 nan 8.230 nan 0.000 0.410 180 A N 4.354 127.227 122.820 0.088 0.000 2.566 180 A HA 0.702 5.022 4.320 -0.001 0.000 0.292 180 A C -1.069 176.709 177.584 0.323 0.000 1.112 180 A CA -0.871 51.259 52.037 0.155 0.000 0.707 180 A CB 1.329 20.359 19.000 0.050 0.000 1.302 180 A HN 0.725 nan 8.150 nan 0.000 0.409 181 R N 1.082 121.736 120.500 0.255 0.000 2.325 181 R HA 0.271 4.610 4.340 -0.001 0.000 0.323 181 R C 0.602 176.915 176.300 0.022 0.000 1.177 181 R CA 0.659 56.824 56.100 0.108 0.000 1.018 181 R CB 0.173 30.521 30.300 0.080 0.000 1.070 181 R HN 0.797 nan 8.270 nan 0.000 0.495 182 S N 1.435 117.135 115.700 -0.001 0.000 2.548 182 S HA 0.011 4.480 4.470 -0.001 0.000 0.215 182 S C 0.279 174.874 174.600 -0.008 0.000 0.976 182 S CA -0.256 57.980 58.200 0.060 0.000 0.908 182 S CB 0.341 63.617 63.200 0.127 0.000 0.781 182 S HN 0.548 nan 8.310 nan 0.000 0.519 183 D N 2.165 122.496 120.400 -0.115 0.000 2.381 183 D HA 0.412 5.052 4.640 -0.001 0.000 0.235 183 D C -2.108 174.130 176.300 -0.104 0.000 1.068 183 D CA -2.192 51.745 54.000 -0.107 0.000 0.832 183 D CB 2.222 42.934 40.800 -0.146 0.000 1.101 183 D HN -0.017 nan 8.370 nan 0.000 0.515 184 P HA 0.014 nan 4.420 nan 0.000 0.221 184 P C 0.047 177.319 177.300 -0.046 0.000 1.155 184 P CA 0.075 63.148 63.100 -0.044 0.000 0.812 184 P CB 0.174 31.860 31.700 -0.023 0.000 0.801 185 D N 1.905 122.276 120.400 -0.048 0.000 2.455 185 D HA -0.060 4.580 4.640 -0.001 0.000 0.265 185 D C -1.056 175.210 176.300 -0.055 0.000 1.284 185 D CA -1.171 52.803 54.000 -0.044 0.000 0.944 185 D CB 0.338 41.112 40.800 -0.043 0.000 1.121 185 D HN 0.154 nan 8.370 nan 0.000 0.525 186 P HA -0.134 nan 4.420 nan 0.000 0.226 186 P C 0.616 177.893 177.300 -0.038 0.000 1.153 186 P CA 0.851 63.928 63.100 -0.037 0.000 0.777 186 P CB 0.242 31.932 31.700 -0.017 0.000 0.794 187 K N -0.205 120.173 120.400 -0.037 0.000 2.432 187 K HA 0.150 4.470 4.320 -0.001 0.000 0.196 187 K C 1.152 177.723 176.600 -0.047 0.000 1.038 187 K CA 0.005 56.273 56.287 -0.033 0.000 0.986 187 K CB -0.115 32.370 32.500 -0.025 0.000 0.782 187 K HN 0.091 nan 8.250 nan 0.000 0.485 188 A N 3.534 126.312 122.820 -0.070 0.000 2.477 188 A HA 0.178 4.497 4.320 -0.001 0.000 0.246 188 A C -2.024 175.497 177.584 -0.106 0.000 1.078 188 A CA -1.230 50.754 52.037 -0.088 0.000 0.770 188 A CB -0.214 18.718 19.000 -0.113 0.000 1.011 188 A HN 0.029 nan 8.150 nan 0.000 0.494 189 P HA 0.197 nan 4.420 nan 0.000 0.272 189 P C 0.953 178.170 177.300 -0.138 0.000 1.230 189 P CA 0.419 63.462 63.100 -0.096 0.000 0.788 189 P CB 0.832 32.491 31.700 -0.069 0.000 0.949 190 A N 2.958 125.672 122.820 -0.176 0.000 1.896 190 A HA -0.316 4.004 4.320 -0.001 0.000 0.220 190 A C 2.129 179.625 177.584 -0.146 0.000 1.206 190 A CA 2.459 54.317 52.037 -0.298 0.000 0.647 190 A CB -1.870 16.456 19.000 -1.122 0.000 0.828 190 A HN 0.733 nan 8.150 nan 0.000 0.455 191 N N -0.851 117.776 118.700 -0.121 0.000 2.132 191 N HA -0.225 4.514 4.740 -0.001 0.000 0.191 191 N C 1.775 177.317 175.510 0.053 0.000 1.015 191 N CA 1.964 55.036 53.050 0.036 0.000 0.864 191 N CB -0.169 38.333 38.487 0.025 0.000 1.006 191 N HN 0.659 nan 8.380 nan 0.000 0.430 192 K N -0.002 120.391 120.400 -0.011 0.000 2.360 192 K HA 0.432 4.751 4.320 -0.001 0.000 0.196 192 K C 1.387 177.935 176.600 -0.086 0.000 1.049 192 K CA 0.595 56.866 56.287 -0.027 0.000 1.049 192 K CB 0.200 32.677 32.500 -0.038 0.000 0.881 192 K HN 0.258 nan 8.250 nan 0.000 0.542 193 A N -0.264 122.437 122.820 -0.200 0.000 2.195 193 A HA 0.551 4.871 4.320 -0.001 0.000 0.210 193 A C 0.048 177.257 177.584 -0.625 0.000 1.165 193 A CA 0.109 51.859 52.037 -0.478 0.000 0.806 193 A CB -0.005 18.537 19.000 -0.762 0.000 0.847 193 A HN 0.337 nan 8.150 nan 0.000 0.482 194 F N -0.250 119.726 119.950 0.043 0.000 2.495 194 F HA 0.520 5.047 4.527 0.000 0.000 0.327 194 F C 0.200 175.987 175.800 -0.020 0.000 1.103 194 F CA -0.503 57.529 58.000 0.053 0.000 0.949 194 F CB 2.044 41.135 39.000 0.152 0.000 1.142 194 F HN -0.256 nan 8.300 nan 0.000 0.457 195 T N 1.645 116.228 114.554 0.048 0.000 2.823 195 T HA 0.647 4.997 4.350 -0.001 0.000 0.279 195 T C 0.028 174.421 174.700 -0.511 0.000 0.998 195 T CA -0.835 61.088 62.100 -0.295 0.000 0.994 195 T CB 1.592 70.162 68.868 -0.496 0.000 0.960 195 T HN 0.833 nan 8.240 nan 0.000 0.448 196 G N 2.010 110.456 108.800 -0.590 0.000 2.417 196 G HA2 0.662 4.621 3.960 -0.001 0.000 0.320 196 G HA3 0.662 4.621 3.960 -0.001 0.000 0.320 196 G C -1.216 173.284 174.900 -0.665 0.000 1.204 196 G CA -0.504 44.286 45.100 -0.516 0.000 0.923 196 G HN 0.507 nan 8.290 nan 0.000 0.466 197 F N 0.836 120.545 119.950 -0.402 0.000 2.561 197 F HA 0.572 5.098 4.527 -0.002 0.000 0.321 197 F C 0.351 176.007 175.800 -0.239 0.000 1.065 197 F CA -1.183 56.641 58.000 -0.294 0.000 0.934 197 F CB 1.904 40.720 39.000 -0.307 0.000 1.215 197 F HN 0.228 nan 8.300 nan 0.000 0.471 198 I N 2.187 122.760 120.570 0.004 0.000 2.396 198 I HA 0.558 4.727 4.170 -0.001 0.000 0.292 198 I C -0.858 175.209 176.117 -0.083 0.000 0.999 198 I CA -0.877 60.349 61.300 -0.125 0.000 1.310 198 I CB 1.396 39.059 38.000 -0.561 0.000 1.404 198 I HN 0.213 nan 8.210 nan 0.000 0.496 199 V N 5.344 125.277 119.914 0.031 0.000 2.509 199 V HA 0.163 4.282 4.120 -0.001 0.000 0.289 199 V C -0.236 175.958 176.094 0.165 0.000 1.026 199 V CA -0.858 61.514 62.300 0.120 0.000 0.872 199 V CB 1.483 33.440 31.823 0.222 0.000 1.017 199 V HN 0.694 nan 8.190 nan 0.000 0.436 200 E N 2.856 123.131 120.200 0.125 0.000 2.415 200 E HA 0.205 4.554 4.350 -0.001 0.000 0.263 200 E C 1.147 177.806 176.600 0.098 0.000 0.995 200 E CA 0.399 56.884 56.400 0.142 0.000 0.915 200 E CB 1.619 31.418 29.700 0.165 0.000 0.951 200 E HN 0.781 nan 8.360 nan 0.000 0.449 201 A N 4.041 126.857 122.820 -0.006 0.000 1.969 201 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 201 A C 1.521 179.130 177.584 0.042 0.000 1.169 201 A CA 1.564 53.582 52.037 -0.032 0.000 0.635 201 A CB -0.165 18.700 19.000 -0.225 0.000 0.810 201 A HN 0.695 nan 8.150 nan 0.000 0.445 202 D N -0.340 120.076 120.400 0.027 0.000 2.324 202 D HA 0.013 4.652 4.640 -0.001 0.000 0.235 202 D C -0.097 176.222 176.300 0.032 0.000 1.095 202 D CA 0.307 54.320 54.000 0.021 0.000 0.871 202 D CB -1.212 39.596 40.800 0.013 0.000 0.906 202 D HN 0.149 nan 8.370 nan 0.000 0.522 203 T N 2.863 117.450 114.554 0.055 0.000 2.905 203 T HA 0.125 4.475 4.350 -0.001 0.000 0.299 203 T C -2.291 172.427 174.700 0.030 0.000 1.024 203 T CA -0.594 61.539 62.100 0.056 0.000 1.151 203 T CB 0.743 69.664 68.868 0.088 0.000 0.987 203 T HN 0.137 nan 8.240 nan 0.000 0.535 204 P HA 0.282 nan 4.420 nan 0.000 0.266 204 P C 1.112 178.412 177.300 0.000 0.000 1.195 204 P CA 0.594 63.696 63.100 0.004 0.000 0.768 204 P CB 0.417 32.120 31.700 0.006 0.000 0.838 205 G N 2.155 110.941 108.800 -0.024 0.000 2.349 205 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.213 205 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.213 205 G C 0.172 175.003 174.900 -0.115 0.000 1.044 205 G CA -0.431 44.648 45.100 -0.035 0.000 0.633 205 G HN 0.503 nan 8.290 nan 0.000 0.506 206 I N 2.441 122.921 120.570 -0.151 0.000 2.494 206 I HA 0.239 4.408 4.170 -0.001 0.000 0.289 206 I C 0.334 176.299 176.117 -0.254 0.000 1.106 206 I CA 0.494 61.592 61.300 -0.337 0.000 1.369 206 I CB 0.802 38.679 38.000 -0.205 0.000 1.410 206 I HN 0.227 nan 8.210 nan 0.000 0.523 207 Q N 6.811 126.427 119.800 -0.308 0.000 2.368 207 Q HA 0.501 4.840 4.340 -0.001 0.000 0.263 207 Q C -0.714 175.156 176.000 -0.217 0.000 1.009 207 Q CA -0.347 55.335 55.803 -0.201 0.000 0.818 207 Q CB 2.073 30.719 28.738 -0.154 0.000 1.239 207 Q HN 0.572 nan 8.270 nan 0.000 0.464 208 I N 2.085 122.562 120.570 -0.155 0.000 2.371 208 I HA 0.263 4.433 4.170 -0.001 0.000 0.290 208 I C 0.992 177.048 176.117 -0.102 0.000 1.028 208 I CA -0.184 61.040 61.300 -0.127 0.000 1.345 208 I CB 1.032 38.986 38.000 -0.077 0.000 1.407 208 I HN 0.632 nan 8.210 nan 0.000 0.501 209 G N 4.968 113.706 108.800 -0.104 0.000 2.616 209 G HA2 0.347 4.306 3.960 -0.001 0.000 0.268 209 G HA3 0.347 4.306 3.960 -0.001 0.000 0.268 209 G C -0.111 174.751 174.900 -0.063 0.000 1.213 209 G CA -0.762 44.285 45.100 -0.088 0.000 0.926 209 G HN 0.756 nan 8.290 nan 0.000 0.523 210 R N -0.406 120.062 120.500 -0.053 0.000 2.817 210 R HA 0.159 4.498 4.340 -0.001 0.000 0.264 210 R C 0.506 176.793 176.300 -0.021 0.000 1.009 210 R CA -0.267 55.814 56.100 -0.032 0.000 1.133 210 R CB 0.347 30.632 30.300 -0.026 0.000 1.013 210 R HN 0.469 nan 8.270 nan 0.000 0.453 211 K N 1.420 121.819 120.400 -0.003 0.000 2.451 211 K HA -0.037 4.283 4.320 -0.001 0.000 0.280 211 K C -0.552 176.072 176.600 0.040 0.000 1.020 211 K CA -0.053 56.247 56.287 0.022 0.000 1.008 211 K CB 0.587 33.107 32.500 0.033 0.000 0.917 211 K HN 0.511 nan 8.250 nan 0.000 0.478 212 E N 3.738 123.982 120.200 0.073 0.000 2.366 212 E HA 0.140 4.490 4.350 -0.001 0.000 0.266 212 E C -0.412 176.264 176.600 0.127 0.000 1.051 212 E CA -0.266 56.209 56.400 0.124 0.000 0.884 212 E CB 0.890 30.737 29.700 0.246 0.000 1.006 212 E HN 0.505 nan 8.360 nan 0.000 0.417 213 L N 3.812 125.108 121.223 0.122 0.000 2.324 213 L HA 0.313 4.653 4.340 -0.001 0.000 0.274 213 L C -0.127 176.793 176.870 0.082 0.000 1.012 213 L CA -0.691 54.201 54.840 0.087 0.000 0.859 213 L CB 0.522 42.618 42.059 0.061 0.000 1.224 213 L HN 0.189 nan 8.230 nan 0.000 0.429 214 N N 2.326 121.062 118.700 0.060 0.000 2.483 214 N HA 0.343 5.083 4.740 -0.001 0.000 0.285 214 N C 0.733 176.238 175.510 -0.009 0.000 1.210 214 N CA -0.792 52.267 53.050 0.014 0.000 0.931 214 N CB 1.425 39.900 38.487 -0.020 0.000 1.220 214 N HN 0.528 nan 8.380 nan 0.000 0.542 215 M N -0.104 119.473 119.600 -0.038 0.000 2.144 215 M HA -0.046 4.434 4.480 -0.001 0.000 0.260 215 M C 0.564 176.842 176.300 -0.037 0.000 1.067 215 M CA 1.636 56.912 55.300 -0.040 0.000 1.095 215 M CB 0.010 32.576 32.600 -0.057 0.000 1.365 215 M HN 0.677 nan 8.290 nan 0.000 0.406 216 G N -2.138 106.634 108.800 -0.047 0.000 2.727 216 G HA2 0.382 4.341 3.960 -0.001 0.000 0.289 216 G HA3 0.382 4.341 3.960 -0.001 0.000 0.289 216 G C -1.227 173.655 174.900 -0.031 0.000 1.418 216 G CA -0.679 44.398 45.100 -0.039 0.000 0.818 216 G HN 0.353 nan 8.290 nan 0.000 0.486 217 Q N -1.037 118.754 119.800 -0.013 0.000 2.423 217 Q HA -0.232 4.107 4.340 -0.001 0.000 0.332 217 Q C 1.524 177.539 176.000 0.025 0.000 1.355 217 Q CA 0.544 56.352 55.803 0.007 0.000 0.947 217 Q CB -0.598 28.140 28.738 -0.000 0.000 1.189 217 Q HN 0.562 nan 8.270 nan 0.000 0.418 218 R N -0.013 120.505 120.500 0.030 0.000 2.152 218 R HA -0.139 4.200 4.340 -0.001 0.000 0.232 218 R C 2.473 178.817 176.300 0.074 0.000 1.117 218 R CA 1.847 57.977 56.100 0.049 0.000 0.981 218 R CB -0.262 30.064 30.300 0.043 0.000 0.870 218 R HN 0.813 nan 8.270 nan 0.000 0.451 219 C N -1.200 118.139 119.300 0.065 0.000 2.448 219 C HA 0.138 4.597 4.460 -0.001 0.000 0.280 219 C C 1.447 176.475 174.990 0.063 0.000 1.398 219 C CA -0.744 58.311 59.018 0.062 0.000 1.774 219 C CB -0.748 26.986 27.740 -0.010 0.000 1.888 219 C HN 0.255 nan 8.230 nan 0.000 0.519 220 S N 1.660 117.400 115.700 0.067 0.000 2.549 220 S HA 0.142 4.611 4.470 -0.001 0.000 0.286 220 S C -0.422 174.301 174.600 0.205 0.000 1.314 220 S CA 0.012 58.286 58.200 0.124 0.000 1.062 220 S CB -0.005 63.253 63.200 0.096 0.000 0.865 220 S HN 0.702 nan 8.310 nan 0.000 0.498 221 D N 2.860 123.442 120.400 0.304 0.000 2.365 221 D HA 0.345 4.985 4.640 -0.001 0.000 0.237 221 D C -0.853 175.527 176.300 0.134 0.000 1.190 221 D CA 0.039 54.145 54.000 0.177 0.000 0.867 221 D CB 0.570 41.374 40.800 0.007 0.000 1.050 221 D HN 0.368 nan 8.370 nan 0.000 0.491 222 T N 4.589 119.223 114.554 0.134 0.000 2.840 222 T HA 0.620 4.969 4.350 -0.001 0.000 0.287 222 T C -0.492 174.294 174.700 0.144 0.000 0.991 222 T CA -0.889 61.313 62.100 0.171 0.000 0.964 222 T CB 1.071 70.079 68.868 0.234 0.000 0.954 222 T HN 0.549 nan 8.240 nan 0.000 0.438 223 R N 0.725 121.284 120.500 0.098 0.000 2.733 223 R HA 0.795 5.135 4.340 -0.001 0.000 0.272 223 R C -0.338 175.925 176.300 -0.061 0.000 1.029 223 R CA -1.346 54.761 56.100 0.012 0.000 0.888 223 R CB 0.636 30.929 30.300 -0.011 0.000 1.251 223 R HN 0.647 nan 8.270 nan 0.000 0.464 224 G N 0.430 109.147 108.800 -0.137 0.000 2.528 224 G HA2 0.625 4.584 3.960 -0.001 0.000 0.289 224 G HA3 0.625 4.584 3.960 -0.001 0.000 0.289 224 G C -0.727 174.084 174.900 -0.148 0.000 1.192 224 G CA -0.876 44.118 45.100 -0.177 0.000 0.921 224 G HN 0.776 nan 8.290 nan 0.000 0.512 225 I N -0.139 120.336 120.570 -0.158 0.000 2.731 225 I HA 0.496 4.666 4.170 -0.001 0.000 0.289 225 I C -1.055 174.932 176.117 -0.218 0.000 1.399 225 I CA -1.037 60.128 61.300 -0.225 0.000 1.048 225 I CB 1.780 39.601 38.000 -0.298 0.000 1.345 225 I HN 0.650 nan 8.210 nan 0.000 0.425 226 V N 4.966 124.713 119.914 -0.278 0.000 2.881 226 V HA 0.694 4.813 4.120 -0.001 0.000 0.316 226 V C -1.600 174.239 176.094 -0.425 0.000 1.070 226 V CA -0.261 61.932 62.300 -0.179 0.000 0.976 226 V CB 1.973 33.745 31.823 -0.084 0.000 1.038 226 V HN 0.631 nan 8.190 nan 0.000 0.446 227 F N 1.801 121.698 119.950 -0.089 0.000 2.460 227 F HA 0.604 5.130 4.527 -0.001 0.000 0.341 227 F C 0.124 175.886 175.800 -0.063 0.000 1.130 227 F CA -0.334 57.617 58.000 -0.082 0.000 0.962 227 F CB 1.708 40.644 39.000 -0.106 0.000 1.171 227 F HN 0.653 nan 8.300 nan 0.000 0.436 228 E N 3.278 123.513 120.200 0.058 0.000 2.145 228 E HA 0.202 4.551 4.350 -0.001 0.000 0.262 228 E C -0.782 175.838 176.600 0.033 0.000 0.883 228 E CA -0.397 56.022 56.400 0.032 0.000 0.748 228 E CB 0.594 30.291 29.700 -0.005 0.000 1.140 228 E HN 0.564 nan 8.360 nan 0.000 0.417 229 D N 1.844 122.264 120.400 0.034 0.000 2.733 229 D HA -0.167 4.472 4.640 -0.001 0.000 0.232 229 D C -0.328 175.990 176.300 0.030 0.000 1.161 229 D CA 0.613 54.626 54.000 0.022 0.000 0.653 229 D CB -1.121 39.686 40.800 0.011 0.000 1.052 229 D HN 0.157 nan 8.370 nan 0.000 0.424 230 V N 0.619 120.570 119.914 0.061 0.000 2.493 230 V HA -0.028 4.091 4.120 -0.001 0.000 0.292 230 V C 0.897 177.004 176.094 0.022 0.000 1.016 230 V CA 0.050 62.395 62.300 0.075 0.000 1.097 230 V CB 0.735 32.683 31.823 0.208 0.000 0.947 230 V HN 0.133 nan 8.190 nan 0.000 0.479 231 K N 4.297 124.711 120.400 0.024 0.000 2.201 231 K HA 0.700 5.019 4.320 -0.001 0.000 0.278 231 K C -0.687 175.923 176.600 0.016 0.000 1.027 231 K CA -0.734 55.563 56.287 0.017 0.000 0.909 231 K CB 1.530 34.045 32.500 0.026 0.000 1.062 231 K HN 0.429 nan 8.250 nan 0.000 0.465 232 V N 3.566 123.486 119.914 0.009 0.000 2.482 232 V HA 0.364 4.483 4.120 -0.001 0.000 0.295 232 V C -2.394 173.780 176.094 0.133 0.000 1.026 232 V CA -2.690 59.623 62.300 0.022 0.000 0.856 232 V CB 1.610 33.349 31.823 -0.140 0.000 1.001 232 V HN 0.798 nan 8.190 nan 0.000 0.424 233 P HA 0.100 nan 4.420 nan 0.000 0.265 233 P C 0.855 178.299 177.300 0.240 0.000 1.187 233 P CA 0.250 63.445 63.100 0.159 0.000 0.766 233 P CB 0.592 32.363 31.700 0.117 0.000 0.820 234 K N 3.346 123.905 120.400 0.265 0.000 2.362 234 K HA -0.188 4.131 4.320 -0.001 0.000 0.202 234 K C 1.413 178.123 176.600 0.184 0.000 1.045 234 K CA 1.636 58.109 56.287 0.309 0.000 0.936 234 K CB -0.999 31.628 32.500 0.212 0.000 0.747 234 K HN 0.584 nan 8.250 nan 0.000 0.467 235 E N 0.726 121.007 120.200 0.135 0.000 2.274 235 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 235 E C 0.887 177.542 176.600 0.092 0.000 0.996 235 E CA 0.794 57.252 56.400 0.097 0.000 0.840 235 E CB -0.198 29.551 29.700 0.082 0.000 0.772 235 E HN 0.581 nan 8.360 nan 0.000 0.491 236 N N 0.485 119.249 118.700 0.107 0.000 2.336 236 N HA 0.044 4.783 4.740 -0.001 0.000 0.189 236 N C -0.186 175.334 175.510 0.016 0.000 1.113 236 N CA -0.006 53.084 53.050 0.066 0.000 0.858 236 N CB 0.549 39.076 38.487 0.067 0.000 0.970 236 N HN -0.056 nan 8.380 nan 0.000 0.471 237 V N 1.354 121.260 119.914 -0.013 0.000 2.740 237 V HA 0.021 4.140 4.120 -0.001 0.000 0.303 237 V C 1.808 177.815 176.094 -0.144 0.000 1.054 237 V CA 0.020 62.195 62.300 -0.207 0.000 1.106 237 V CB 1.337 33.036 31.823 -0.207 0.000 0.957 237 V HN 0.146 nan 8.190 nan 0.000 0.486 238 L N 3.138 124.247 121.223 -0.189 0.000 2.034 238 L HA 0.049 4.389 4.340 -0.001 0.000 0.203 238 L C 1.674 178.511 176.870 -0.054 0.000 1.074 238 L CA 1.584 56.374 54.840 -0.083 0.000 0.748 238 L CB 0.000 42.042 42.059 -0.028 0.000 0.905 238 L HN 0.610 nan 8.230 nan 0.000 0.439 239 I N -2.375 118.158 120.570 -0.062 0.000 4.124 239 I HA 0.276 4.445 4.170 -0.001 0.000 0.311 239 I C 0.615 176.715 176.117 -0.029 0.000 1.259 239 I CA 0.267 61.547 61.300 -0.032 0.000 1.315 239 I CB 1.241 39.230 38.000 -0.018 0.000 1.223 239 I HN 0.252 nan 8.210 nan 0.000 0.441 240 G N 0.087 108.856 108.800 -0.051 0.000 2.316 240 G HA2 0.063 4.022 3.960 -0.001 0.000 0.296 240 G HA3 0.063 4.022 3.960 -0.001 0.000 0.296 240 G C -1.849 173.015 174.900 -0.060 0.000 1.399 240 G CA -0.819 44.264 45.100 -0.030 0.000 0.833 240 G HN -0.102 nan 8.290 nan 0.000 0.565 241 D N -0.543 119.853 120.400 -0.006 0.000 2.548 241 D HA 0.408 5.048 4.640 -0.001 0.000 0.231 241 D C 1.611 177.901 176.300 -0.016 0.000 1.142 241 D CA 2.580 56.584 54.000 0.006 0.000 0.866 241 D CB 0.493 41.355 40.800 0.103 0.000 1.190 241 D HN 1.817 nan 8.370 nan 0.000 0.469 242 G N 2.303 111.085 108.800 -0.031 0.000 2.175 242 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.265 242 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.265 242 G C 0.768 175.695 174.900 0.044 0.000 0.979 242 G CA 0.642 45.746 45.100 0.007 0.000 0.663 242 G HN 0.808 nan 8.290 nan 0.000 0.533 243 A N 0.204 123.036 122.820 0.020 0.000 2.415 243 A HA 0.644 4.963 4.320 -0.001 0.000 0.248 243 A C 2.237 179.869 177.584 0.081 0.000 1.299 243 A CA 1.288 53.358 52.037 0.054 0.000 0.899 243 A CB -0.326 18.686 19.000 0.019 0.000 0.997 243 A HN 1.385 nan 8.150 nan 0.000 0.506 244 G N -0.420 108.440 108.800 0.101 0.000 2.442 244 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 244 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 244 G C 1.258 176.271 174.900 0.189 0.000 1.141 244 G CA 1.259 46.435 45.100 0.126 0.000 0.763 244 G HN 0.474 nan 8.290 nan 0.000 0.554 245 F N 1.268 121.295 119.950 0.128 0.000 2.053 245 F HA 0.023 4.550 4.527 0.000 0.000 0.292 245 F C 2.961 178.806 175.800 0.075 0.000 1.125 245 F CA 1.871 59.932 58.000 0.102 0.000 1.193 245 F CB -0.527 38.579 39.000 0.177 0.000 0.996 245 F HN 0.073 nan 8.300 nan 0.000 0.470 246 K N 0.029 120.581 120.400 0.254 0.000 2.097 246 K HA -0.214 4.105 4.320 -0.001 0.000 0.214 246 K C 1.955 178.562 176.600 0.011 0.000 1.052 246 K CA 1.800 58.161 56.287 0.124 0.000 0.932 246 K CB -1.331 31.239 32.500 0.116 0.000 0.716 246 K HN 0.285 nan 8.250 nan 0.000 0.455 247 V N 0.252 120.167 119.914 0.001 0.000 2.244 247 V HA -0.115 4.005 4.120 -0.001 0.000 0.244 247 V C 2.750 178.735 176.094 -0.181 0.000 1.042 247 V CA 2.101 64.363 62.300 -0.064 0.000 1.006 247 V CB -1.206 30.611 31.823 -0.010 0.000 0.641 247 V HN 0.690 nan 8.190 nan 0.000 0.446 248 A N -0.708 122.015 122.820 -0.161 0.000 1.883 248 A HA -0.313 4.007 4.320 -0.001 0.000 0.217 248 A C 2.177 179.495 177.584 -0.443 0.000 1.186 248 A CA 2.609 54.475 52.037 -0.285 0.000 0.624 248 A CB -0.625 18.309 19.000 -0.111 0.000 0.822 248 A HN 0.443 nan 8.150 nan 0.000 0.444 249 M N -0.074 119.354 119.600 -0.287 0.000 2.073 249 M HA -0.097 4.383 4.480 -0.001 0.000 0.258 249 M C 2.139 178.371 176.300 -0.114 0.000 1.070 249 M CA 1.795 57.034 55.300 -0.102 0.000 1.103 249 M CB -0.982 31.568 32.600 -0.082 0.000 1.321 249 M HN 0.426 nan 8.290 nan 0.000 0.405 250 G N -1.119 107.597 108.800 -0.141 0.000 2.462 250 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.220 250 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.220 250 G C 1.562 176.352 174.900 -0.182 0.000 1.121 250 G CA 1.101 46.135 45.100 -0.110 0.000 0.758 250 G HN 0.637 nan 8.290 nan 0.000 0.559 251 A N 0.802 123.404 122.820 -0.363 0.000 1.883 251 A HA 0.058 4.377 4.320 -0.001 0.000 0.217 251 A C 2.095 179.481 177.584 -0.331 0.000 1.186 251 A CA 1.547 53.327 52.037 -0.428 0.000 0.624 251 A CB -0.601 18.029 19.000 -0.617 0.000 0.822 251 A HN 0.273 nan 8.150 nan 0.000 0.444 252 F N 0.808 120.685 119.950 -0.121 0.000 2.192 252 F HA -0.207 4.319 4.527 -0.001 0.000 0.301 252 F C 1.962 177.723 175.800 -0.064 0.000 1.079 252 F CA 1.456 59.391 58.000 -0.108 0.000 1.303 252 F CB -1.032 37.917 39.000 -0.085 0.000 1.024 252 F HN 0.225 nan 8.300 nan 0.000 0.494 253 D N 0.090 120.558 120.400 0.113 0.000 2.133 253 D HA -0.165 4.474 4.640 -0.001 0.000 0.195 253 D C 1.939 178.273 176.300 0.057 0.000 0.997 253 D CA 1.413 55.466 54.000 0.089 0.000 0.840 253 D CB -0.226 40.613 40.800 0.065 0.000 0.947 253 D HN 0.252 nan 8.370 nan 0.000 0.452 254 K N -0.798 119.594 120.400 -0.012 0.000 2.374 254 K HA 0.081 4.401 4.320 -0.001 0.000 0.196 254 K C 1.551 178.099 176.600 -0.086 0.000 1.023 254 K CA 0.599 56.855 56.287 -0.052 0.000 1.103 254 K CB 0.668 33.071 32.500 -0.161 0.000 0.848 254 K HN 0.234 nan 8.250 nan 0.000 0.528 255 T N -2.528 111.990 114.554 -0.060 0.000 3.038 255 T HA 0.096 4.445 4.350 -0.001 0.000 0.244 255 T C 1.880 176.578 174.700 -0.003 0.000 1.016 255 T CA -0.171 61.891 62.100 -0.064 0.000 1.098 255 T CB 0.119 68.919 68.868 -0.112 0.000 0.954 255 T HN -0.026 nan 8.240 nan 0.000 0.469 256 R N 1.737 122.268 120.500 0.052 0.000 2.096 256 R HA 0.058 4.398 4.340 -0.001 0.000 0.235 256 R C -0.652 175.687 176.300 0.065 0.000 1.127 256 R CA 1.604 57.740 56.100 0.060 0.000 0.968 256 R CB -1.221 29.122 30.300 0.073 0.000 0.861 256 R HN 0.391 nan 8.270 nan 0.000 0.440 257 P HA -0.132 nan 4.420 nan 0.000 0.216 257 P C 1.218 178.505 177.300 -0.022 0.000 1.150 257 P CA 1.159 64.309 63.100 0.084 0.000 0.837 257 P CB 0.077 31.846 31.700 0.116 0.000 0.786 258 V N -0.801 119.088 119.914 -0.043 0.000 2.407 258 V HA -0.145 3.974 4.120 -0.001 0.000 0.245 258 V C 2.475 178.525 176.094 -0.074 0.000 1.041 258 V CA 1.338 63.570 62.300 -0.112 0.000 1.040 258 V CB -1.222 30.570 31.823 -0.051 0.000 0.671 258 V HN -0.056 nan 8.190 nan 0.000 0.455 259 V N 0.951 120.870 119.914 0.008 0.000 2.380 259 V HA -0.307 3.812 4.120 -0.001 0.000 0.251 259 V C 2.708 178.898 176.094 0.160 0.000 1.063 259 V CA 2.181 64.561 62.300 0.132 0.000 1.055 259 V CB -1.288 30.618 31.823 0.139 0.000 0.657 259 V HN 0.561 nan 8.190 nan 0.000 0.455 260 A N -0.246 122.612 122.820 0.063 0.000 1.968 260 A HA 0.071 4.390 4.320 -0.001 0.000 0.217 260 A C 2.382 179.935 177.584 -0.052 0.000 1.169 260 A CA 1.640 53.711 52.037 0.055 0.000 0.638 260 A CB -0.550 18.530 19.000 0.133 0.000 0.812 260 A HN 0.564 nan 8.150 nan 0.000 0.446 261 A N -0.354 122.275 122.820 -0.317 0.000 1.968 261 A HA 0.210 4.529 4.320 -0.001 0.000 0.217 261 A C 2.343 179.794 177.584 -0.221 0.000 1.169 261 A CA 1.628 53.294 52.037 -0.618 0.000 0.638 261 A CB -1.236 17.013 19.000 -1.251 0.000 0.812 261 A HN 0.644 nan 8.150 nan 0.000 0.446 262 G N -0.067 108.658 108.800 -0.126 0.000 2.446 262 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.217 262 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.217 262 G C 1.780 176.504 174.900 -0.294 0.000 1.168 262 G CA 1.622 46.704 45.100 -0.031 0.000 0.771 262 G HN 0.787 nan 8.290 nan 0.000 0.551 263 A N -0.011 122.462 122.820 -0.579 0.000 1.883 263 A HA 0.035 4.354 4.320 -0.001 0.000 0.217 263 A C 2.618 180.021 177.584 -0.302 0.000 1.186 263 A CA 1.978 53.537 52.037 -0.796 0.000 0.624 263 A CB -0.735 17.918 19.000 -0.579 0.000 0.822 263 A HN 0.298 nan 8.150 nan 0.000 0.444 264 V N -0.049 119.809 119.914 -0.094 0.000 2.407 264 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 264 V C 2.786 178.917 176.094 0.062 0.000 1.055 264 V CA 1.871 64.203 62.300 0.053 0.000 1.049 264 V CB -1.429 30.544 31.823 0.251 0.000 0.662 264 V HN 0.636 nan 8.190 nan 0.000 0.455 265 G N 0.475 109.302 108.800 0.046 0.000 2.459 265 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 265 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 265 G C 1.563 176.511 174.900 0.080 0.000 1.183 265 G CA 1.243 46.419 45.100 0.126 0.000 0.776 265 G HN 0.485 nan 8.290 nan 0.000 0.552 266 L N 1.547 122.748 121.223 -0.036 0.000 2.083 266 L HA 0.216 4.556 4.340 -0.001 0.000 0.209 266 L C 2.813 179.639 176.870 -0.074 0.000 1.083 266 L CA 2.042 56.835 54.840 -0.080 0.000 0.752 266 L CB -1.159 40.843 42.059 -0.094 0.000 0.899 266 L HN 0.238 nan 8.230 nan 0.000 0.433 267 A N -0.535 122.251 122.820 -0.057 0.000 1.877 267 A HA -0.275 4.044 4.320 -0.001 0.000 0.216 267 A C 2.303 179.898 177.584 0.019 0.000 1.186 267 A CA 1.787 53.806 52.037 -0.030 0.000 0.620 267 A CB -0.759 18.226 19.000 -0.025 0.000 0.822 267 A HN 0.594 nan 8.150 nan 0.000 0.443 268 Q N -0.303 119.548 119.800 0.086 0.000 2.084 268 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 268 Q C 2.155 178.247 176.000 0.155 0.000 0.978 268 Q CA 2.183 58.097 55.803 0.185 0.000 0.844 268 Q CB -0.270 28.666 28.738 0.330 0.000 0.898 268 Q HN 0.555 nan 8.270 nan 0.000 0.426 269 R N -0.062 120.388 120.500 -0.083 0.000 2.073 269 R HA -0.013 4.326 4.340 -0.001 0.000 0.234 269 R C 2.030 178.229 176.300 -0.167 0.000 1.134 269 R CA 1.777 57.614 56.100 -0.438 0.000 0.952 269 R CB -1.013 28.893 30.300 -0.657 0.000 0.850 269 R HN 0.306 nan 8.270 nan 0.000 0.433 270 A N 0.807 123.567 122.820 -0.099 0.000 1.892 270 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 270 A C 2.103 179.680 177.584 -0.011 0.000 1.188 270 A CA 1.876 53.882 52.037 -0.051 0.000 0.631 270 A CB -0.938 18.037 19.000 -0.042 0.000 0.822 270 A HN 0.425 nan 8.150 nan 0.000 0.447 271 L N -0.165 121.067 121.223 0.014 0.000 2.056 271 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 271 L C 1.657 178.564 176.870 0.063 0.000 1.078 271 L CA 2.693 57.557 54.840 0.041 0.000 0.749 271 L CB -0.755 41.334 42.059 0.050 0.000 0.901 271 L HN 0.321 nan 8.230 nan 0.000 0.433 272 D N -0.161 120.291 120.400 0.086 0.000 2.092 272 D HA -0.179 4.460 4.640 -0.001 0.000 0.193 272 D C 2.109 178.463 176.300 0.090 0.000 0.994 272 D CA 1.434 55.502 54.000 0.114 0.000 0.828 272 D CB -0.169 40.753 40.800 0.204 0.000 0.963 272 D HN 0.378 nan 8.370 nan 0.000 0.450 273 E N 0.573 120.805 120.200 0.053 0.000 2.070 273 E HA -0.185 4.164 4.350 -0.001 0.000 0.197 273 E C 2.072 178.729 176.600 0.094 0.000 1.004 273 E CA 1.214 57.651 56.400 0.062 0.000 0.805 273 E CB -0.456 29.255 29.700 0.017 0.000 0.744 273 E HN 0.284 nan 8.360 nan 0.000 0.451 274 A N 0.605 123.467 122.820 0.070 0.000 1.930 274 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 274 A C 2.440 180.105 177.584 0.135 0.000 1.175 274 A CA 1.909 53.998 52.037 0.087 0.000 0.627 274 A CB -0.677 18.354 19.000 0.052 0.000 0.815 274 A HN 0.258 nan 8.150 nan 0.000 0.443 275 T N -0.233 114.385 114.554 0.107 0.000 2.732 275 T HA -0.095 4.255 4.350 -0.001 0.000 0.261 275 T C 1.985 176.747 174.700 0.104 0.000 1.040 275 T CA 1.641 63.799 62.100 0.098 0.000 1.145 275 T CB -0.192 68.722 68.868 0.077 0.000 0.866 275 T HN 0.443 nan 8.240 nan 0.000 0.427 276 K N 0.394 120.861 120.400 0.113 0.000 2.052 276 K HA -0.195 4.125 4.320 -0.001 0.000 0.215 276 K C 2.011 178.692 176.600 0.136 0.000 1.053 276 K CA 1.766 58.122 56.287 0.114 0.000 0.934 276 K CB -0.552 32.023 32.500 0.126 0.000 0.717 276 K HN 0.358 nan 8.250 nan 0.000 0.450 277 Y N 0.180 120.511 120.300 0.051 0.000 2.207 277 Y HA -0.220 4.330 4.550 -0.001 0.000 0.287 277 Y C 1.921 177.843 175.900 0.036 0.000 1.156 277 Y CA 1.540 59.667 58.100 0.045 0.000 1.182 277 Y CB -0.262 38.218 38.460 0.033 0.000 0.979 277 Y HN 0.136 nan 8.280 nan 0.000 0.521 278 A N -0.620 122.274 122.820 0.123 0.000 2.016 278 A HA -0.040 4.279 4.320 -0.001 0.000 0.217 278 A C 2.116 179.690 177.584 -0.017 0.000 1.162 278 A CA 1.097 53.166 52.037 0.053 0.000 0.662 278 A CB -0.793 18.270 19.000 0.106 0.000 0.812 278 A HN 0.516 nan 8.150 nan 0.000 0.450 279 L N -0.533 120.685 121.223 -0.008 0.000 2.395 279 L HA -0.070 4.269 4.340 -0.001 0.000 0.218 279 L C 2.454 179.292 176.870 -0.054 0.000 1.130 279 L CA 1.468 56.296 54.840 -0.020 0.000 0.826 279 L CB -0.099 41.964 42.059 0.006 0.000 0.941 279 L HN 0.771 nan 8.230 nan 0.000 0.451 280 E N -0.446 119.691 120.200 -0.106 0.000 2.391 280 E HA -0.028 4.321 4.350 -0.001 0.000 0.206 280 E C 1.061 177.535 176.600 -0.210 0.000 0.851 280 E CA -0.530 55.794 56.400 -0.127 0.000 1.059 280 E CB 0.170 29.819 29.700 -0.085 0.000 1.065 280 E HN 0.025 nan 8.360 nan 0.000 0.512 281 R N 2.372 122.637 120.500 -0.393 0.000 2.537 281 R HA 0.167 4.506 4.340 -0.001 0.000 0.280 281 R C -0.828 175.365 176.300 -0.178 0.000 1.058 281 R CA 0.332 56.187 56.100 -0.408 0.000 1.057 281 R CB 0.589 30.428 30.300 -0.769 0.000 0.973 281 R HN -0.054 nan 8.270 nan 0.000 0.438 282 K N 2.372 122.707 120.400 -0.109 0.000 2.324 282 K HA 0.407 4.726 4.320 -0.001 0.000 0.253 282 K C -1.064 175.534 176.600 -0.004 0.000 0.932 282 K CA -0.740 55.524 56.287 -0.037 0.000 0.799 282 K CB 2.150 34.627 32.500 -0.039 0.000 1.154 282 K HN 0.876 nan 8.250 nan 0.000 0.425 283 T N -1.471 113.136 114.554 0.089 0.000 2.900 283 T HA 0.420 4.769 4.350 -0.001 0.000 0.303 283 T C -0.030 174.816 174.700 0.244 0.000 1.142 283 T CA -0.712 61.420 62.100 0.053 0.000 1.007 283 T CB 0.310 69.232 68.868 0.090 0.000 1.156 283 T HN 0.546 nan 8.240 nan 0.000 0.490 284 F N 0.994 120.995 119.950 0.086 0.000 3.056 284 F HA -0.083 4.443 4.527 -0.001 0.000 0.266 284 F C 1.701 177.544 175.800 0.072 0.000 0.957 284 F CA 1.466 59.513 58.000 0.078 0.000 0.894 284 F CB -1.973 37.087 39.000 0.099 0.000 0.832 284 F HN 1.567 nan 8.300 nan 0.000 0.745 285 G N -0.731 108.147 108.800 0.130 0.000 2.157 285 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.248 285 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.248 285 G C 0.092 175.019 174.900 0.045 0.000 0.979 285 G CA 0.181 45.324 45.100 0.072 0.000 0.650 285 G HN 0.546 nan 8.290 nan 0.000 0.529 286 K N -0.547 119.882 120.400 0.048 0.000 2.502 286 K HA 0.600 4.920 4.320 -0.001 0.000 0.257 286 K C 0.213 176.766 176.600 -0.077 0.000 0.938 286 K CA -1.046 55.210 56.287 -0.051 0.000 0.819 286 K CB 2.003 34.410 32.500 -0.156 0.000 1.333 286 K HN 0.088 nan 8.250 nan 0.000 0.434 287 L N 3.537 124.698 121.223 -0.103 0.000 2.485 287 L HA 0.026 4.365 4.340 -0.001 0.000 0.275 287 L C 1.682 178.482 176.870 -0.116 0.000 1.207 287 L CA -0.057 54.731 54.840 -0.088 0.000 0.855 287 L CB 0.205 42.221 42.059 -0.072 0.000 1.114 287 L HN 0.598 nan 8.230 nan 0.000 0.485 288 L N 2.534 123.750 121.223 -0.010 0.000 2.187 288 L HA -0.207 4.133 4.340 -0.001 0.000 0.213 288 L C 2.282 179.186 176.870 0.056 0.000 1.100 288 L CA 0.648 55.561 54.840 0.121 0.000 0.765 288 L CB -0.484 41.668 42.059 0.154 0.000 0.904 288 L HN 0.559 nan 8.230 nan 0.000 0.437 289 V N 0.321 120.236 119.914 0.002 0.000 2.380 289 V HA -0.283 3.836 4.120 -0.001 0.000 0.251 289 V C 1.990 178.069 176.094 -0.024 0.000 1.063 289 V CA 1.834 64.139 62.300 0.009 0.000 1.055 289 V CB -0.376 31.448 31.823 0.001 0.000 0.657 289 V HN 0.521 nan 8.190 nan 0.000 0.455 290 E N -1.537 118.583 120.200 -0.132 0.000 2.445 290 E HA 0.021 4.370 4.350 -0.001 0.000 0.189 290 E C -0.073 176.382 176.600 -0.242 0.000 1.069 290 E CA -0.125 56.171 56.400 -0.173 0.000 0.871 290 E CB -0.011 29.564 29.700 -0.208 0.000 0.991 290 E HN 0.652 nan 8.360 nan 0.000 0.481 291 H N 0.798 119.885 119.070 0.027 0.000 2.467 291 H HA 0.114 4.670 4.556 -0.001 0.000 0.326 291 H C 0.725 176.055 175.328 0.003 0.000 1.094 291 H CA -0.177 55.873 56.048 0.003 0.000 1.253 291 H CB 1.572 31.339 29.762 0.008 0.000 1.439 291 H HN 0.096 nan 8.280 nan 0.000 0.479 292 Q N 2.772 122.620 119.800 0.081 0.000 2.124 292 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 292 Q C 1.942 177.914 176.000 -0.046 0.000 0.977 292 Q CA 1.379 57.187 55.803 0.008 0.000 0.850 292 Q CB 0.203 28.864 28.738 -0.129 0.000 0.901 292 Q HN 0.827 nan 8.270 nan 0.000 0.429 293 A N 0.941 123.707 122.820 -0.090 0.000 1.892 293 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 293 A C 1.909 179.542 177.584 0.082 0.000 1.188 293 A CA 1.516 53.511 52.037 -0.070 0.000 0.631 293 A CB -0.656 18.302 19.000 -0.070 0.000 0.822 293 A HN 0.403 nan 8.150 nan 0.000 0.447 294 I N -0.599 120.043 120.570 0.120 0.000 2.233 294 I HA -0.137 4.033 4.170 -0.001 0.000 0.243 294 I C 2.660 178.871 176.117 0.156 0.000 1.093 294 I CA 1.511 62.893 61.300 0.137 0.000 1.380 294 I CB -1.611 36.483 38.000 0.157 0.000 1.067 294 I HN 0.250 nan 8.210 nan 0.000 0.413 295 S N 1.208 117.012 115.700 0.174 0.000 2.380 295 S HA -0.244 4.225 4.470 -0.001 0.000 0.229 295 S C 1.933 176.673 174.600 0.233 0.000 1.050 295 S CA 1.868 60.181 58.200 0.189 0.000 1.100 295 S CB -0.501 62.832 63.200 0.222 0.000 0.984 295 S HN 0.261 nan 8.310 nan 0.000 0.434 296 F N 1.293 121.258 119.950 0.024 0.000 2.161 296 F HA -0.092 4.435 4.527 -0.001 0.000 0.300 296 F C 2.348 178.157 175.800 0.016 0.000 1.089 296 F CA 0.938 58.949 58.000 0.017 0.000 1.282 296 F CB -0.613 38.395 39.000 0.013 0.000 1.010 296 F HN 0.210 nan 8.300 nan 0.000 0.485 297 M N -1.275 118.456 119.600 0.218 0.000 2.067 297 M HA -0.225 4.254 4.480 -0.001 0.000 0.260 297 M C 2.202 178.548 176.300 0.078 0.000 1.069 297 M CA 1.330 56.702 55.300 0.120 0.000 1.117 297 M CB -0.701 31.957 32.600 0.096 0.000 1.334 297 M HN 0.084 nan 8.290 nan 0.000 0.407 298 L N 0.486 121.758 121.223 0.081 0.000 2.013 298 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 298 L C 2.785 179.672 176.870 0.029 0.000 1.073 298 L CA 2.338 57.211 54.840 0.056 0.000 0.753 298 L CB -1.632 40.465 42.059 0.062 0.000 0.890 298 L HN 0.286 nan 8.230 nan 0.000 0.432 299 A N -1.025 121.801 122.820 0.010 0.000 1.858 299 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 299 A C 2.211 179.774 177.584 -0.034 0.000 1.190 299 A CA 1.700 53.714 52.037 -0.039 0.000 0.617 299 A CB -0.582 18.349 19.000 -0.116 0.000 0.827 299 A HN 0.509 nan 8.150 nan 0.000 0.443 300 E N -0.731 119.455 120.200 -0.023 0.000 2.085 300 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 300 E C 2.082 178.686 176.600 0.007 0.000 0.994 300 E CA 1.732 58.128 56.400 -0.007 0.000 0.801 300 E CB -0.304 29.406 29.700 0.016 0.000 0.743 300 E HN 0.700 nan 8.360 nan 0.000 0.453 301 M N 0.293 119.900 119.600 0.012 0.000 2.086 301 M HA -0.155 4.325 4.480 -0.001 0.000 0.261 301 M C 2.482 178.792 176.300 0.016 0.000 1.067 301 M CA 1.502 56.808 55.300 0.010 0.000 1.116 301 M CB -0.281 32.328 32.600 0.016 0.000 1.348 301 M HN 0.123 nan 8.290 nan 0.000 0.407 302 A N 0.584 123.413 122.820 0.015 0.000 1.859 302 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 302 A C 2.200 179.793 177.584 0.016 0.000 1.198 302 A CA 2.247 54.292 52.037 0.013 0.000 0.629 302 A CB -0.863 18.137 19.000 0.000 0.000 0.830 302 A HN 0.471 nan 8.150 nan 0.000 0.446 303 M N -0.977 118.628 119.600 0.008 0.000 2.204 303 M HA -0.322 4.157 4.480 -0.001 0.000 0.255 303 M C 2.228 178.574 176.300 0.077 0.000 1.073 303 M CA 2.552 57.865 55.300 0.022 0.000 1.084 303 M CB -0.423 32.187 32.600 0.017 0.000 1.289 303 M HN 0.404 nan 8.290 nan 0.000 0.419 304 K N -0.705 119.749 120.400 0.090 0.000 2.063 304 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 304 K C 1.755 178.457 176.600 0.170 0.000 1.048 304 K CA 1.554 57.928 56.287 0.144 0.000 0.928 304 K CB -0.292 32.206 32.500 -0.002 0.000 0.713 304 K HN 0.203 nan 8.250 nan 0.000 0.442 305 V N 1.665 121.631 119.914 0.088 0.000 2.270 305 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 305 V C 2.198 178.344 176.094 0.087 0.000 1.043 305 V CA 1.658 64.009 62.300 0.085 0.000 1.014 305 V CB -0.368 31.491 31.823 0.060 0.000 0.645 305 V HN 0.287 nan 8.190 nan 0.000 0.447 306 E N 0.029 120.258 120.200 0.047 0.000 2.058 306 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 306 E C 2.191 178.786 176.600 -0.009 0.000 0.997 306 E CA 1.192 57.590 56.400 -0.004 0.000 0.801 306 E CB -0.422 29.256 29.700 -0.037 0.000 0.746 306 E HN 0.324 nan 8.360 nan 0.000 0.450 307 L N 0.826 122.071 121.223 0.038 0.000 2.017 307 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 307 L C 2.445 179.334 176.870 0.032 0.000 1.073 307 L CA 1.849 56.683 54.840 -0.009 0.000 0.745 307 L CB -1.482 40.571 42.059 -0.010 0.000 0.894 307 L HN 0.046 nan 8.230 nan 0.000 0.432 308 A N -0.649 122.355 122.820 0.307 0.000 1.940 308 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 308 A C 2.522 180.195 177.584 0.149 0.000 1.176 308 A CA 1.967 54.227 52.037 0.372 0.000 0.631 308 A CB -0.555 18.669 19.000 0.372 0.000 0.814 308 A HN 0.416 nan 8.150 nan 0.000 0.446 309 R N -0.939 119.571 120.500 0.016 0.000 2.062 309 R HA 0.006 4.346 4.340 -0.001 0.000 0.229 309 R C 2.169 178.189 176.300 -0.468 0.000 1.128 309 R CA 1.701 57.640 56.100 -0.268 0.000 0.960 309 R CB -0.351 29.849 30.300 -0.166 0.000 0.855 309 R HN 0.491 nan 8.270 nan 0.000 0.432 310 M N 0.722 120.200 119.600 -0.203 0.000 2.117 310 M HA -0.183 4.296 4.480 -0.001 0.000 0.262 310 M C 2.484 178.738 176.300 -0.078 0.000 1.065 310 M CA 2.120 57.348 55.300 -0.119 0.000 1.114 310 M CB -0.297 32.264 32.600 -0.064 0.000 1.361 310 M HN 0.399 nan 8.290 nan 0.000 0.408 311 S N 0.905 116.573 115.700 -0.053 0.000 2.372 311 S HA -0.250 4.219 4.470 -0.001 0.000 0.227 311 S C 1.870 176.531 174.600 0.103 0.000 1.044 311 S CA 1.886 60.100 58.200 0.023 0.000 1.050 311 S CB -1.183 62.028 63.200 0.018 0.000 0.901 311 S HN 0.647 nan 8.310 nan 0.000 0.447 312 Y N 1.798 122.148 120.300 0.083 0.000 2.200 312 Y HA 0.132 4.681 4.550 -0.001 0.000 0.290 312 Y C 2.395 178.331 175.900 0.061 0.000 1.137 312 Y CA 1.156 59.297 58.100 0.068 0.000 1.163 312 Y CB -1.268 37.215 38.460 0.039 0.000 0.988 312 Y HN 0.282 nan 8.280 nan 0.000 0.518 313 Q N 0.047 119.745 119.800 -0.170 0.000 2.152 313 Q HA -0.248 4.091 4.340 -0.001 0.000 0.206 313 Q C 2.346 178.526 176.000 0.301 0.000 0.985 313 Q CA 2.024 57.840 55.803 0.022 0.000 0.863 313 Q CB -0.242 28.495 28.738 -0.002 0.000 0.904 313 Q HN 0.380 nan 8.270 nan 0.000 0.422 314 R N 0.956 121.547 120.500 0.152 0.000 2.062 314 R HA -0.086 4.254 4.340 -0.001 0.000 0.231 314 R C 2.027 178.425 176.300 0.164 0.000 1.136 314 R CA 1.841 57.992 56.100 0.085 0.000 0.948 314 R CB -1.012 29.241 30.300 -0.079 0.000 0.845 314 R HN 0.216 nan 8.270 nan 0.000 0.430 315 A N 0.468 123.394 122.820 0.177 0.000 1.917 315 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 315 A C 2.409 180.146 177.584 0.256 0.000 1.182 315 A CA 2.315 54.492 52.037 0.234 0.000 0.633 315 A CB -1.213 17.936 19.000 0.248 0.000 0.819 315 A HN 0.549 nan 8.150 nan 0.000 0.448 316 A N -1.739 121.264 122.820 0.304 0.000 1.855 316 A HA -0.123 4.196 4.320 -0.001 0.000 0.215 316 A C 2.009 179.810 177.584 0.361 0.000 1.191 316 A CA 1.528 53.754 52.037 0.315 0.000 0.613 316 A CB -1.003 18.188 19.000 0.318 0.000 0.829 316 A HN 0.859 nan 8.150 nan 0.000 0.442 317 W N 0.835 122.295 121.300 0.266 0.000 2.335 317 W HA -0.227 4.433 4.660 -0.001 0.000 0.311 317 W C 2.000 178.537 176.519 0.030 0.000 1.213 317 W CA 2.306 59.720 57.345 0.115 0.000 1.274 317 W CB -0.195 29.283 29.460 0.029 0.000 1.148 317 W HN 0.404 nan 8.180 nan 0.000 0.498 318 E N 0.027 120.382 120.200 0.259 0.000 2.048 318 E HA -0.307 4.043 4.350 -0.001 0.000 0.202 318 E C 2.234 178.785 176.600 -0.081 0.000 1.021 318 E CA 2.444 58.873 56.400 0.048 0.000 0.825 318 E CB -1.131 28.686 29.700 0.195 0.000 0.756 318 E HN 0.209 nan 8.360 nan 0.000 0.454 319 V N 0.886 120.814 119.914 0.023 0.000 2.295 319 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 319 V C 1.194 177.251 176.094 -0.062 0.000 1.049 319 V CA 2.443 64.746 62.300 0.006 0.000 1.024 319 V CB -0.458 31.402 31.823 0.062 0.000 0.648 319 V HN 0.255 nan 8.190 nan 0.000 0.447 320 D N 0.074 120.429 120.400 -0.075 0.000 2.311 320 D HA -0.091 4.548 4.640 -0.001 0.000 0.212 320 D C 2.085 178.210 176.300 -0.292 0.000 0.972 320 D CA 1.536 55.453 54.000 -0.138 0.000 0.887 320 D CB -0.069 40.672 40.800 -0.099 0.000 0.915 320 D HN 0.505 nan 8.370 nan 0.000 0.497 321 S N -1.392 114.040 115.700 -0.447 0.000 2.577 321 S HA 0.348 4.817 4.470 -0.001 0.000 0.219 321 S C 1.606 176.030 174.600 -0.293 0.000 0.962 321 S CA 0.375 58.249 58.200 -0.543 0.000 0.921 321 S CB 1.070 63.641 63.200 -1.049 0.000 0.789 321 S HN 0.440 nan 8.310 nan 0.000 0.497 322 G N 2.287 110.976 108.800 -0.186 0.000 2.313 322 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.215 322 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.215 322 G C 0.191 175.052 174.900 -0.064 0.000 1.023 322 G CA -0.375 44.661 45.100 -0.106 0.000 0.626 322 G HN 0.494 nan 8.290 nan 0.000 0.503 323 R N 1.347 121.809 120.500 -0.064 0.000 2.573 323 R HA 0.760 5.100 4.340 -0.001 0.000 0.272 323 R C -0.042 176.281 176.300 0.038 0.000 1.009 323 R CA -0.719 55.379 56.100 -0.002 0.000 1.059 323 R CB 0.427 30.740 30.300 0.020 0.000 1.112 323 R HN 0.164 nan 8.270 nan 0.000 0.517 324 R N 1.450 121.988 120.500 0.064 0.000 2.640 324 R HA -0.004 4.336 4.340 -0.001 0.000 0.270 324 R C 0.808 177.201 176.300 0.156 0.000 1.024 324 R CA 0.501 56.657 56.100 0.094 0.000 1.085 324 R CB -0.566 29.787 30.300 0.088 0.000 0.963 324 R HN 0.954 nan 8.270 nan 0.000 0.426 325 N N -0.062 118.745 118.700 0.178 0.000 2.238 325 N HA 0.013 4.753 4.740 -0.001 0.000 0.235 325 N C 0.687 176.359 175.510 0.269 0.000 1.209 325 N CA -0.145 53.065 53.050 0.268 0.000 0.879 325 N CB 0.315 38.940 38.487 0.229 0.000 1.136 325 N HN 0.415 nan 8.380 nan 0.000 0.517 326 T N 0.283 114.963 114.554 0.211 0.000 2.652 326 T HA -0.203 4.146 4.350 -0.001 0.000 0.267 326 T C 1.299 176.114 174.700 0.192 0.000 1.039 326 T CA 1.690 63.897 62.100 0.179 0.000 1.153 326 T CB -0.532 68.427 68.868 0.151 0.000 0.863 326 T HN 0.448 nan 8.240 nan 0.000 0.428 327 Y N 0.564 120.893 120.300 0.049 0.000 2.128 327 Y HA -0.273 4.276 4.550 -0.001 0.000 0.284 327 Y C 2.197 178.069 175.900 -0.046 0.000 1.154 327 Y CA 1.387 59.463 58.100 -0.040 0.000 1.149 327 Y CB -0.528 37.844 38.460 -0.148 0.000 0.976 327 Y HN 0.195 nan 8.280 nan 0.000 0.505 328 Y N -0.052 120.354 120.300 0.178 0.000 2.293 328 Y HA -0.122 4.427 4.550 -0.001 0.000 0.291 328 Y C 2.614 178.535 175.900 0.035 0.000 1.137 328 Y CA 1.187 59.319 58.100 0.053 0.000 1.202 328 Y CB -0.899 37.678 38.460 0.195 0.000 0.990 328 Y HN 0.303 nan 8.280 nan 0.000 0.537 329 A N -1.575 121.381 122.820 0.226 0.000 2.016 329 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 329 A C 2.293 179.938 177.584 0.102 0.000 1.162 329 A CA 1.512 53.651 52.037 0.169 0.000 0.662 329 A CB -0.558 18.537 19.000 0.159 0.000 0.812 329 A HN 0.323 nan 8.150 nan 0.000 0.450 330 S N -0.353 115.378 115.700 0.053 0.000 2.446 330 S HA 0.072 4.542 4.470 -0.001 0.000 0.225 330 S C 1.679 176.276 174.600 -0.005 0.000 1.016 330 S CA 0.648 58.859 58.200 0.017 0.000 0.943 330 S CB -0.312 62.892 63.200 0.006 0.000 0.786 330 S HN 0.538 nan 8.310 nan 0.000 0.508 331 I N 1.807 122.338 120.570 -0.066 0.000 2.226 331 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 331 I C 2.650 178.802 176.117 0.057 0.000 1.100 331 I CA 1.183 62.440 61.300 -0.071 0.000 1.374 331 I CB -0.347 37.523 38.000 -0.217 0.000 1.057 331 I HN 0.276 nan 8.210 nan 0.000 0.413 332 A N 0.540 123.420 122.820 0.101 0.000 1.898 332 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 332 A C 2.237 179.931 177.584 0.184 0.000 1.181 332 A CA 1.830 53.968 52.037 0.169 0.000 0.620 332 A CB -0.411 18.709 19.000 0.199 0.000 0.819 332 A HN 0.253 nan 8.150 nan 0.000 0.442 333 K N 0.582 121.064 120.400 0.137 0.000 1.991 333 K HA -0.030 4.289 4.320 -0.001 0.000 0.212 333 K C 2.028 178.699 176.600 0.118 0.000 1.049 333 K CA 2.052 58.412 56.287 0.122 0.000 0.932 333 K CB -0.936 31.616 32.500 0.087 0.000 0.717 333 K HN 0.291 nan 8.250 nan 0.000 0.441 334 A N -0.149 122.731 122.820 0.099 0.000 1.903 334 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 334 A C 2.346 180.003 177.584 0.122 0.000 1.191 334 A CA 2.093 54.184 52.037 0.090 0.000 0.638 334 A CB -0.978 18.066 19.000 0.073 0.000 0.823 334 A HN 0.545 nan 8.150 nan 0.000 0.451 335 F N -0.091 119.867 119.950 0.013 0.000 2.220 335 F HA 0.264 4.790 4.527 -0.001 0.000 0.290 335 F C 2.539 178.347 175.800 0.013 0.000 1.080 335 F CA 0.967 58.973 58.000 0.009 0.000 1.318 335 F CB -0.422 38.583 39.000 0.009 0.000 1.063 335 F HN 0.243 nan 8.300 nan 0.000 0.498 336 A N 0.700 123.644 122.820 0.207 0.000 1.892 336 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 336 A C 2.442 179.985 177.584 -0.070 0.000 1.188 336 A CA 2.010 54.087 52.037 0.066 0.000 0.631 336 A CB -1.890 17.195 19.000 0.141 0.000 0.822 336 A HN 0.538 nan 8.150 nan 0.000 0.447 337 G N -0.388 108.406 108.800 -0.011 0.000 2.446 337 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 337 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 337 G C 1.190 176.053 174.900 -0.062 0.000 1.168 337 G CA 1.301 46.400 45.100 -0.002 0.000 0.771 337 G HN 0.479 nan 8.290 nan 0.000 0.551 338 D N 0.844 121.181 120.400 -0.106 0.000 2.084 338 D HA -0.118 4.521 4.640 -0.001 0.000 0.196 338 D C 2.610 178.787 176.300 -0.204 0.000 0.985 338 D CA 1.323 55.238 54.000 -0.140 0.000 0.826 338 D CB -0.424 40.285 40.800 -0.152 0.000 0.978 338 D HN 0.537 nan 8.370 nan 0.000 0.456 339 I N -1.034 119.326 120.570 -0.350 0.000 2.614 339 I HA -0.030 4.140 4.170 -0.001 0.000 0.258 339 I C 2.123 178.122 176.117 -0.196 0.000 1.189 339 I CA 1.085 62.182 61.300 -0.338 0.000 1.462 339 I CB -0.314 37.379 38.000 -0.512 0.000 1.092 339 I HN -0.151 nan 8.210 nan 0.000 0.442 340 A N 1.753 124.471 122.820 -0.170 0.000 1.902 340 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 340 A C 2.037 179.566 177.584 -0.092 0.000 1.181 340 A CA 2.258 54.215 52.037 -0.134 0.000 0.623 340 A CB -1.087 17.804 19.000 -0.182 0.000 0.818 340 A HN 0.570 nan 8.150 nan 0.000 0.443 341 N N -0.407 118.244 118.700 -0.081 0.000 2.188 341 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 341 N C 1.927 177.403 175.510 -0.057 0.000 1.018 341 N CA 1.487 54.503 53.050 -0.056 0.000 0.858 341 N CB -0.223 38.235 38.487 -0.049 0.000 0.989 341 N HN 0.652 nan 8.380 nan 0.000 0.426 342 Q N -0.169 119.584 119.800 -0.077 0.000 2.079 342 Q HA -0.020 4.320 4.340 -0.001 0.000 0.200 342 Q C 1.690 177.659 176.000 -0.052 0.000 0.974 342 Q CA 0.817 56.580 55.803 -0.066 0.000 0.840 342 Q CB -0.062 28.625 28.738 -0.086 0.000 0.898 342 Q HN 0.250 nan 8.270 nan 0.000 0.430 343 L N 0.362 121.549 121.223 -0.060 0.000 2.017 343 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 343 L C 2.272 179.123 176.870 -0.032 0.000 1.073 343 L CA 1.819 56.634 54.840 -0.042 0.000 0.745 343 L CB -0.709 41.323 42.059 -0.045 0.000 0.894 343 L HN 0.194 nan 8.230 nan 0.000 0.432 344 A N -1.884 120.914 122.820 -0.037 0.000 1.841 344 A HA -0.255 4.064 4.320 -0.001 0.000 0.214 344 A C 2.446 180.019 177.584 -0.020 0.000 1.195 344 A CA 2.331 54.350 52.037 -0.030 0.000 0.611 344 A CB -1.260 17.723 19.000 -0.029 0.000 0.835 344 A HN 0.384 nan 8.150 nan 0.000 0.443 345 T N -0.708 113.836 114.554 -0.017 0.000 2.737 345 T HA -0.179 4.170 4.350 -0.001 0.000 0.269 345 T C 1.597 176.290 174.700 -0.012 0.000 1.040 345 T CA 2.022 64.117 62.100 -0.009 0.000 1.142 345 T CB -0.598 68.263 68.868 -0.012 0.000 0.861 345 T HN 0.444 nan 8.240 nan 0.000 0.456 346 D N 0.675 121.065 120.400 -0.015 0.000 2.084 346 D HA 0.028 4.668 4.640 -0.001 0.000 0.196 346 D C 2.428 178.724 176.300 -0.008 0.000 0.985 346 D CA 1.391 55.386 54.000 -0.009 0.000 0.826 346 D CB -0.753 40.045 40.800 -0.004 0.000 0.978 346 D HN 0.478 nan 8.370 nan 0.000 0.456 347 A N 0.657 123.470 122.820 -0.012 0.000 1.927 347 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 347 A C 2.556 180.113 177.584 -0.045 0.000 1.185 347 A CA 1.703 53.728 52.037 -0.019 0.000 0.639 347 A CB -0.918 18.069 19.000 -0.022 0.000 0.820 347 A HN 0.175 nan 8.150 nan 0.000 0.451 348 V N -0.370 119.522 119.914 -0.036 0.000 2.332 348 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 348 V C 2.745 178.804 176.094 -0.057 0.000 1.055 348 V CA 2.454 64.730 62.300 -0.041 0.000 1.038 348 V CB -0.741 31.090 31.823 0.012 0.000 0.651 348 V HN 0.726 nan 8.190 nan 0.000 0.450 349 Q N 0.032 119.811 119.800 -0.036 0.000 2.096 349 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 349 Q C 1.975 177.959 176.000 -0.027 0.000 0.982 349 Q CA 1.989 57.773 55.803 -0.032 0.000 0.850 349 Q CB -0.321 28.407 28.738 -0.018 0.000 0.901 349 Q HN 0.547 nan 8.270 nan 0.000 0.422 350 I N -0.166 120.395 120.570 -0.014 0.000 2.286 350 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 350 I C 1.757 177.871 176.117 -0.005 0.000 1.115 350 I CA 0.940 62.261 61.300 0.035 0.000 1.392 350 I CB -0.980 37.060 38.000 0.067 0.000 1.065 350 I HN 0.242 nan 8.210 nan 0.000 0.418 351 L N 0.273 121.352 121.223 -0.239 0.000 2.395 351 L HA 0.157 4.496 4.340 -0.001 0.000 0.218 351 L C 1.633 178.279 176.870 -0.373 0.000 1.130 351 L CA 1.119 55.547 54.840 -0.687 0.000 0.826 351 L CB -0.972 40.583 42.059 -0.841 0.000 0.941 351 L HN 0.455 nan 8.230 nan 0.000 0.451 352 G N -0.635 108.067 108.800 -0.163 0.000 2.556 352 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.283 352 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.283 352 G C 1.063 175.905 174.900 -0.098 0.000 1.177 352 G CA 0.175 45.223 45.100 -0.087 0.000 0.978 352 G HN 0.418 nan 8.290 nan 0.000 0.554 353 G N 0.169 108.928 108.800 -0.067 0.000 2.459 353 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 353 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 353 G C 1.595 176.471 174.900 -0.040 0.000 1.183 353 G CA 1.816 46.902 45.100 -0.023 0.000 0.776 353 G HN 0.805 nan 8.290 nan 0.000 0.552 354 N N 1.294 119.883 118.700 -0.185 0.000 2.069 354 N HA -0.167 4.572 4.740 -0.001 0.000 0.196 354 N C 2.312 177.598 175.510 -0.374 0.000 1.024 354 N CA 1.626 54.416 53.050 -0.433 0.000 0.869 354 N CB -1.070 36.784 38.487 -1.056 0.000 1.035 354 N HN 0.343 nan 8.380 nan 0.000 0.434 355 G N 0.042 108.637 108.800 -0.342 0.000 2.505 355 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.220 355 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.220 355 G C 1.262 176.175 174.900 0.022 0.000 1.145 355 G CA 0.451 45.442 45.100 -0.182 0.000 0.761 355 G HN 0.334 nan 8.290 nan 0.000 0.571 356 F N 1.530 121.418 119.950 -0.104 0.000 2.699 356 F HA 0.213 4.740 4.527 -0.001 0.000 0.298 356 F C 1.032 176.821 175.800 -0.018 0.000 1.154 356 F CA -0.552 57.417 58.000 -0.052 0.000 1.457 356 F CB -0.045 38.927 39.000 -0.047 0.000 1.106 356 F HN 0.027 nan 8.300 nan 0.000 0.585 357 N N 0.047 118.762 118.700 0.026 0.000 2.456 357 N HA 0.005 4.744 4.740 -0.001 0.000 0.288 357 N C 1.229 176.755 175.510 0.028 0.000 1.059 357 N CA 0.739 53.798 53.050 0.015 0.000 0.946 357 N CB 1.568 40.135 38.487 0.134 0.000 1.150 357 N HN 0.159 nan 8.380 nan 0.000 0.479 358 T N 0.278 114.810 114.554 -0.036 0.000 2.881 358 T HA -0.084 4.265 4.350 -0.001 0.000 0.270 358 T C 0.991 175.685 174.700 -0.011 0.000 1.068 358 T CA 1.107 63.185 62.100 -0.037 0.000 1.131 358 T CB -0.069 68.761 68.868 -0.062 0.000 0.871 358 T HN 0.594 nan 8.240 nan 0.000 0.479 359 E N -0.083 120.121 120.200 0.007 0.000 2.482 359 E HA 0.070 4.420 4.350 -0.001 0.000 0.196 359 E C -0.441 176.036 176.600 -0.205 0.000 1.047 359 E CA 0.237 56.587 56.400 -0.083 0.000 0.869 359 E CB 0.001 29.643 29.700 -0.096 0.000 0.836 359 E HN 0.648 nan 8.360 nan 0.000 0.520 360 Y N 0.259 120.532 120.300 -0.044 0.000 2.453 360 Y HA 0.152 4.701 4.550 -0.001 0.000 0.326 360 Y C -1.393 174.472 175.900 -0.057 0.000 1.186 360 Y CA -2.338 55.731 58.100 -0.050 0.000 1.200 360 Y CB 1.004 39.420 38.460 -0.074 0.000 1.247 360 Y HN -0.141 nan 8.280 nan 0.000 0.482 361 P HA -0.063 nan 4.420 nan 0.000 0.240 361 P C 0.967 178.270 177.300 0.004 0.000 1.190 361 P CA 0.892 64.005 63.100 0.021 0.000 0.781 361 P CB 0.206 31.908 31.700 0.003 0.000 0.931 362 V N -1.872 118.051 119.914 0.015 0.000 2.599 362 V HA -0.028 4.092 4.120 -0.001 0.000 0.245 362 V C 2.474 178.559 176.094 -0.014 0.000 1.046 362 V CA 1.247 63.537 62.300 -0.016 0.000 1.065 362 V CB -1.285 30.517 31.823 -0.035 0.000 0.703 362 V HN -0.023 nan 8.190 nan 0.000 0.464 363 E N 2.128 122.323 120.200 -0.008 0.000 2.114 363 E HA -0.378 3.972 4.350 -0.001 0.000 0.199 363 E C 2.191 178.773 176.600 -0.030 0.000 1.008 363 E CA 2.593 58.980 56.400 -0.022 0.000 0.810 363 E CB -0.289 29.377 29.700 -0.056 0.000 0.739 363 E HN 0.789 nan 8.360 nan 0.000 0.456 364 K N 0.323 120.707 120.400 -0.027 0.000 2.057 364 K HA -0.119 4.200 4.320 -0.001 0.000 0.207 364 K C 2.607 179.195 176.600 -0.019 0.000 1.049 364 K CA 1.354 57.626 56.287 -0.025 0.000 0.931 364 K CB -0.214 32.273 32.500 -0.020 0.000 0.714 364 K HN 0.174 nan 8.250 nan 0.000 0.440 365 L N 0.573 121.782 121.223 -0.023 0.000 2.079 365 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 365 L C 2.803 179.665 176.870 -0.012 0.000 1.081 365 L CA 1.459 56.285 54.840 -0.022 0.000 0.752 365 L CB -0.411 41.624 42.059 -0.040 0.000 0.896 365 L HN 0.387 nan 8.230 nan 0.000 0.433 366 M N -0.442 119.150 119.600 -0.013 0.000 2.132 366 M HA -0.193 4.286 4.480 -0.001 0.000 0.263 366 M C 2.503 178.796 176.300 -0.012 0.000 1.065 366 M CA 1.689 56.984 55.300 -0.008 0.000 1.122 366 M CB 0.007 32.609 32.600 0.003 0.000 1.365 366 M HN 0.071 nan 8.290 nan 0.000 0.411 367 R N 0.108 120.597 120.500 -0.017 0.000 2.075 367 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 367 R C 1.651 177.932 176.300 -0.033 0.000 1.126 367 R CA 1.658 57.741 56.100 -0.028 0.000 0.963 367 R CB -0.419 29.862 30.300 -0.032 0.000 0.858 367 R HN 0.386 nan 8.270 nan 0.000 0.435 368 D N 0.499 120.892 120.400 -0.012 0.000 2.149 368 D HA -0.152 4.487 4.640 -0.001 0.000 0.198 368 D C 1.594 177.919 176.300 0.041 0.000 0.990 368 D CA 1.636 55.641 54.000 0.009 0.000 0.839 368 D CB -0.134 40.697 40.800 0.051 0.000 0.948 368 D HN 0.302 nan 8.370 nan 0.000 0.460 369 A N 0.031 122.885 122.820 0.056 0.000 2.123 369 A HA -0.031 4.289 4.320 -0.001 0.000 0.214 369 A C 1.970 179.600 177.584 0.077 0.000 1.152 369 A CA 0.870 52.986 52.037 0.133 0.000 0.728 369 A CB -0.130 18.892 19.000 0.038 0.000 0.814 369 A HN 0.030 nan 8.150 nan 0.000 0.464 370 K N 0.307 120.690 120.400 -0.028 0.000 2.097 370 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 370 K C 1.461 177.958 176.600 -0.172 0.000 1.049 370 K CA 1.323 57.561 56.287 -0.081 0.000 0.933 370 K CB -0.551 31.892 32.500 -0.094 0.000 0.717 370 K HN 0.286 nan 8.250 nan 0.000 0.442 371 I N 0.532 120.922 120.570 -0.300 0.000 2.315 371 I HA -0.251 3.919 4.170 -0.001 0.000 0.251 371 I C 1.103 176.763 176.117 -0.761 0.000 1.125 371 I CA 1.486 62.410 61.300 -0.627 0.000 1.392 371 I CB -0.383 37.075 38.000 -0.903 0.000 1.065 371 I HN 0.246 nan 8.210 nan 0.000 0.424 372 Y N 0.091 120.161 120.300 -0.382 0.000 2.578 372 Y HA -0.024 4.525 4.550 -0.001 0.000 0.297 372 Y C 1.930 177.757 175.900 -0.122 0.000 1.176 372 Y CA 0.518 58.494 58.100 -0.207 0.000 1.315 372 Y CB -0.194 38.214 38.460 -0.087 0.000 1.031 372 Y HN 0.354 nan 8.280 nan 0.000 0.524 373 Q N -1.007 118.767 119.800 -0.043 0.000 2.219 373 Q HA 0.220 4.559 4.340 -0.001 0.000 0.209 373 Q C 0.930 176.886 176.000 -0.073 0.000 0.854 373 Q CA 0.255 56.037 55.803 -0.035 0.000 0.960 373 Q CB 0.734 29.447 28.738 -0.042 0.000 1.116 373 Q HN 0.565 nan 8.270 nan 0.000 0.500 374 I N -0.790 119.695 120.570 -0.141 0.000 3.674 374 I HA 0.046 4.215 4.170 -0.001 0.000 0.248 374 I C 0.414 176.495 176.117 -0.060 0.000 1.134 374 I CA -0.380 60.836 61.300 -0.141 0.000 1.519 374 I CB 0.043 37.909 38.000 -0.224 0.000 1.598 374 I HN 0.023 nan 8.210 nan 0.000 0.442 375 Y N 2.212 122.417 120.300 -0.158 0.000 2.330 375 Y HA 0.261 4.811 4.550 -0.001 0.000 0.341 375 Y C 0.692 176.518 175.900 -0.123 0.000 1.278 375 Y CA -1.934 56.080 58.100 -0.143 0.000 1.453 375 Y CB -0.397 37.969 38.460 -0.157 0.000 1.342 375 Y HN 0.287 nan 8.280 nan 0.000 0.590 376 E N 0.077 120.320 120.200 0.072 0.000 2.722 376 E HA -0.167 4.182 4.350 -0.001 0.000 0.265 376 E C 0.273 176.762 176.600 -0.185 0.000 1.081 376 E CA 1.219 57.557 56.400 -0.104 0.000 0.781 376 E CB -1.700 27.944 29.700 -0.093 0.000 1.372 376 E HN 1.513 nan 8.360 nan 0.000 0.423 377 G N 0.483 109.208 108.800 -0.126 0.000 3.448 377 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.685 377 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.685 377 G C 0.157 175.025 174.900 -0.055 0.000 1.151 377 G CA -0.111 44.910 45.100 -0.133 0.000 1.023 377 G HN 0.454 nan 8.290 nan 0.000 0.499 378 T N 0.577 115.106 114.554 -0.041 0.000 2.856 378 T HA 0.511 4.861 4.350 -0.001 0.000 0.306 378 T C 1.940 176.630 174.700 -0.018 0.000 1.062 378 T CA 0.614 62.697 62.100 -0.029 0.000 1.083 378 T CB 1.321 70.171 68.868 -0.029 0.000 0.984 378 T HN 1.140 nan 8.240 nan 0.000 0.542 379 S N 1.435 117.128 115.700 -0.011 0.000 2.389 379 S HA -0.254 4.215 4.470 -0.001 0.000 0.231 379 S C 2.173 176.772 174.600 -0.002 0.000 1.052 379 S CA 1.961 60.159 58.200 -0.002 0.000 1.053 379 S CB -0.547 62.648 63.200 -0.007 0.000 0.886 379 S HN 0.798 nan 8.310 nan 0.000 0.456 380 Q N 0.314 120.111 119.800 -0.005 0.000 2.079 380 Q HA 0.076 4.415 4.340 -0.001 0.000 0.200 380 Q C 2.161 178.162 176.000 0.002 0.000 0.974 380 Q CA 0.954 56.757 55.803 0.000 0.000 0.840 380 Q CB -0.252 28.486 28.738 0.000 0.000 0.898 380 Q HN 0.405 nan 8.270 nan 0.000 0.430 381 I N 0.588 121.154 120.570 -0.006 0.000 2.202 381 I HA -0.231 3.939 4.170 -0.001 0.000 0.242 381 I C 2.021 178.131 176.117 -0.011 0.000 1.091 381 I CA 1.245 62.539 61.300 -0.010 0.000 1.368 381 I CB -1.222 36.759 38.000 -0.032 0.000 1.058 381 I HN 0.295 nan 8.210 nan 0.000 0.410 382 Q N 0.668 120.458 119.800 -0.017 0.000 2.096 382 Q HA -0.243 4.096 4.340 -0.001 0.000 0.208 382 Q C 2.370 178.373 176.000 0.004 0.000 0.993 382 Q CA 1.768 57.565 55.803 -0.009 0.000 0.862 382 Q CB -0.625 28.114 28.738 0.001 0.000 0.915 382 Q HN 0.498 nan 8.270 nan 0.000 0.416 383 R N -0.075 120.431 120.500 0.009 0.000 2.115 383 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 383 R C 2.538 178.855 176.300 0.028 0.000 1.100 383 R CA 0.557 56.666 56.100 0.015 0.000 0.980 383 R CB -0.191 30.117 30.300 0.014 0.000 0.875 383 R HN 0.204 nan 8.270 nan 0.000 0.445 384 L N 0.210 121.451 121.223 0.029 0.000 1.989 384 L HA -0.227 4.112 4.340 -0.001 0.000 0.211 384 L C 2.254 179.159 176.870 0.057 0.000 1.071 384 L CA 1.428 56.293 54.840 0.042 0.000 0.749 384 L CB -0.512 41.570 42.059 0.037 0.000 0.890 384 L HN 0.161 nan 8.230 nan 0.000 0.431 385 I N -0.681 119.919 120.570 0.049 0.000 2.145 385 I HA -0.336 3.834 4.170 -0.001 0.000 0.244 385 I C 2.433 178.609 176.117 0.098 0.000 1.075 385 I CA 1.477 62.817 61.300 0.067 0.000 1.332 385 I CB -0.401 37.627 38.000 0.046 0.000 1.033 385 I HN 0.019 nan 8.210 nan 0.000 0.410 386 V N 0.661 120.620 119.914 0.075 0.000 2.358 386 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 386 V C 2.666 178.875 176.094 0.191 0.000 1.047 386 V CA 1.901 64.264 62.300 0.103 0.000 1.035 386 V CB -1.116 30.692 31.823 -0.025 0.000 0.658 386 V HN 0.522 nan 8.190 nan 0.000 0.452 387 A N -0.094 122.806 122.820 0.133 0.000 1.908 387 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 387 A C 2.443 180.135 177.584 0.181 0.000 1.181 387 A CA 2.132 54.265 52.037 0.160 0.000 0.627 387 A CB -0.593 18.467 19.000 0.100 0.000 0.818 387 A HN 0.444 nan 8.150 nan 0.000 0.445 388 R N -0.540 120.044 120.500 0.140 0.000 2.070 388 R HA -0.140 4.199 4.340 -0.001 0.000 0.233 388 R C 2.021 178.400 176.300 0.133 0.000 1.137 388 R CA 1.639 57.810 56.100 0.119 0.000 0.945 388 R CB -0.280 30.079 30.300 0.099 0.000 0.845 388 R HN 0.526 nan 8.270 nan 0.000 0.430 389 E N -0.242 120.061 120.200 0.172 0.000 2.058 389 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 389 E C 1.899 178.573 176.600 0.123 0.000 0.997 389 E CA 1.488 57.982 56.400 0.157 0.000 0.801 389 E CB -0.656 29.203 29.700 0.266 0.000 0.746 389 E HN 0.506 nan 8.360 nan 0.000 0.450 390 H N 0.828 119.985 119.070 0.145 0.000 2.290 390 H HA -0.058 4.497 4.556 -0.001 0.000 0.298 390 H C 2.156 177.598 175.328 0.190 0.000 1.087 390 H CA 1.958 58.090 56.048 0.140 0.000 1.291 390 H CB -0.402 29.492 29.762 0.220 0.000 1.369 390 H HN 0.066 nan 8.280 nan 0.000 0.492 391 I N -0.099 120.507 120.570 0.060 0.000 2.252 391 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 391 I C 2.142 178.283 176.117 0.040 0.000 1.102 391 I CA 1.763 63.061 61.300 -0.004 0.000 1.385 391 I CB -0.300 37.733 38.000 0.055 0.000 1.064 391 I HN 0.384 nan 8.210 nan 0.000 0.414 392 D N 0.793 121.211 120.400 0.031 0.000 2.221 392 D HA -0.176 4.463 4.640 -0.001 0.000 0.204 392 D C 2.095 178.378 176.300 -0.029 0.000 0.982 392 D CA 0.898 54.905 54.000 0.013 0.000 0.857 392 D CB 0.190 40.999 40.800 0.015 0.000 0.934 392 D HN -0.090 nan 8.370 nan 0.000 0.475 393 K N -0.960 119.389 120.400 -0.085 0.000 2.515 393 K HA -0.080 4.239 4.320 -0.001 0.000 0.196 393 K C 0.462 176.838 176.600 -0.372 0.000 1.038 393 K CA 0.595 56.741 56.287 -0.235 0.000 0.967 393 K CB -0.552 31.739 32.500 -0.347 0.000 0.780 393 K HN 0.545 nan 8.250 nan 0.000 0.483 394 Y N -0.637 119.573 120.300 -0.151 0.000 2.636 394 Y HA 0.417 4.967 4.550 -0.001 0.000 0.260 394 Y C 0.460 176.320 175.900 -0.066 0.000 1.177 394 Y CA -0.619 57.414 58.100 -0.111 0.000 1.209 394 Y CB 0.567 38.945 38.460 -0.136 0.000 1.166 394 Y HN -0.098 nan 8.280 nan 0.000 0.531 395 K N 0.000 120.425 120.400 0.041 0.000 2.780 395 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 395 K CA 0.000 56.301 56.287 0.024 0.000 0.838 395 K CB 0.000 32.518 32.500 0.030 0.000 1.064 395 K HN 0.000 nan 8.250 nan 0.000 0.543