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 2y42_1_D DATA FIRST_RESID 0 DATA SEQUENCE SMKVAVLPGD GIGPEVTEAA LKVLRALDEA EGLGLAYEVF PFGGAAIDAF DATA SEQUENCE GEPFPEPTRK GVEEAEAVLL GSVGGPKWDG LPRKIRPETG LLSLRKSQDL DATA SEQUENCE FANLRPAKVF PGLERLSPLK EEIARGVDVL IVRELTGGIY FGEPRGMSEA DATA SEQUENCE EAWNTERYSK PEVERVARVA FEAARKRRKH VVSVDKANVL EVGEFWRKTV DATA SEQUENCE EEVGRGYPDV ALEHQYVDAM AMHLVRSPAR FDVVVTGNIF GDILSDLASV DATA SEQUENCE LPGSLGLLPS ASLGRGTPVF EPVHGSAPDI AGKGIANPTA AILSAAMMLE DATA SEQUENCE HAFGLVELAR KVEDAVAKAL LETPPPDLGG SAGTEAFTAT VLRHLAAAAL DATA SEQUENCE EHHHH 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.534 174.600 -0.111 0.000 1.055 0 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 0 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 1 M N 2.467 121.965 119.600 -0.171 0.000 2.037 1 M HA 0.441 4.920 4.480 -0.001 0.000 0.255 1 M C -1.881 174.352 176.300 -0.112 0.000 0.914 1 M CA -0.245 54.811 55.300 -0.408 0.000 0.986 1 M CB 1.339 33.518 32.600 -0.703 0.000 1.947 1 M HN 0.264 nan 8.290 nan 0.000 0.419 2 K N 3.618 124.088 120.400 0.117 0.000 2.293 2 K HA 0.669 4.989 4.320 -0.001 0.000 0.267 2 K C -1.804 174.953 176.600 0.263 0.000 1.010 2 K CA -0.494 55.893 56.287 0.166 0.000 0.875 2 K CB 1.336 33.922 32.500 0.143 0.000 1.106 2 K HN 0.470 nan 8.250 nan 0.000 0.450 3 V N 3.203 123.262 119.914 0.240 0.000 2.540 3 V HA 0.604 4.724 4.120 -0.001 0.000 0.302 3 V C -0.370 175.883 176.094 0.265 0.000 1.035 3 V CA -1.141 61.316 62.300 0.262 0.000 0.873 3 V CB 1.537 33.509 31.823 0.247 0.000 0.992 3 V HN 0.932 nan 8.190 nan 0.000 0.428 4 A N 4.315 127.276 122.820 0.234 0.000 2.320 4 A HA 0.742 5.061 4.320 -0.001 0.000 0.287 4 A C -0.487 177.251 177.584 0.257 0.000 1.181 4 A CA -0.357 51.857 52.037 0.294 0.000 0.831 4 A CB 0.788 19.859 19.000 0.119 0.000 1.102 4 A HN 0.721 nan 8.150 nan 0.000 0.513 5 V N 4.040 124.153 119.914 0.331 0.000 2.384 5 V HA 0.353 4.472 4.120 -0.001 0.000 0.287 5 V C -0.919 175.301 176.094 0.209 0.000 1.020 5 V CA -0.265 62.162 62.300 0.213 0.000 0.850 5 V CB 1.153 33.087 31.823 0.184 0.000 0.987 5 V HN 0.688 nan 8.190 nan 0.000 0.436 6 L N 8.392 129.686 121.223 0.117 0.000 2.408 6 L HA 0.445 4.784 4.340 -0.001 0.000 0.257 6 L C -1.777 175.178 176.870 0.141 0.000 1.053 6 L CA -1.401 53.507 54.840 0.113 0.000 0.922 6 L CB 1.269 43.252 42.059 -0.127 0.000 1.261 6 L HN 0.348 nan 8.230 nan 0.000 0.458 7 P HA -0.042 nan 4.420 nan 0.000 0.215 7 P C 1.082 178.467 177.300 0.141 0.000 1.153 7 P CA 1.399 64.575 63.100 0.126 0.000 0.853 7 P CB 0.359 32.126 31.700 0.111 0.000 0.788 8 G N -0.626 108.275 108.800 0.167 0.000 2.514 8 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.265 8 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.265 8 G C -0.737 174.190 174.900 0.044 0.000 1.150 8 G CA 0.230 45.395 45.100 0.108 0.000 0.959 8 G HN 0.220 nan 8.290 nan 0.000 0.556 9 D N 0.803 121.219 120.400 0.026 0.000 2.414 9 D HA 0.575 5.215 4.640 -0.001 0.000 0.241 9 D C 1.234 177.598 176.300 0.107 0.000 1.008 9 D CA 1.037 55.067 54.000 0.050 0.000 1.001 9 D CB 0.804 41.603 40.800 -0.002 0.000 1.277 9 D HN 1.715 nan 8.370 nan 0.000 0.538 10 G N 0.926 109.813 108.800 0.144 0.000 2.665 10 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.326 10 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.326 10 G C 1.108 176.063 174.900 0.093 0.000 1.231 10 G CA 1.033 46.206 45.100 0.122 0.000 0.992 10 G HN 0.710 nan 8.290 nan 0.000 0.549 11 I N 0.117 120.737 120.570 0.084 0.000 3.578 11 I HA 0.420 4.589 4.170 -0.001 0.000 0.295 11 I C 2.410 178.588 176.117 0.100 0.000 1.280 11 I CA 1.336 62.676 61.300 0.067 0.000 1.347 11 I CB -0.606 37.403 38.000 0.015 0.000 1.051 11 I HN 0.622 nan 8.210 nan 0.000 0.460 12 G N 2.866 111.739 108.800 0.122 0.000 2.553 12 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 12 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 12 G C -0.403 174.557 174.900 0.100 0.000 1.195 12 G CA 1.378 46.553 45.100 0.124 0.000 0.779 12 G HN 0.381 nan 8.290 nan 0.000 0.577 13 P HA -0.020 nan 4.420 nan 0.000 0.218 13 P C 1.583 178.921 177.300 0.062 0.000 1.148 13 P CA 1.402 64.547 63.100 0.075 0.000 0.822 13 P CB 0.002 31.747 31.700 0.075 0.000 0.784 14 E N -0.566 119.671 120.200 0.061 0.000 2.047 14 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 14 E C 1.970 178.601 176.600 0.052 0.000 0.987 14 E CA 1.548 57.977 56.400 0.049 0.000 0.799 14 E CB -0.604 29.119 29.700 0.039 0.000 0.752 14 E HN 0.161 nan 8.360 nan 0.000 0.449 15 V N -1.100 118.856 119.914 0.070 0.000 2.548 15 V HA -0.131 3.989 4.120 -0.001 0.000 0.249 15 V C 2.060 178.197 176.094 0.072 0.000 1.055 15 V CA 1.787 64.137 62.300 0.082 0.000 1.065 15 V CB -0.778 31.124 31.823 0.132 0.000 0.681 15 V HN 0.107 nan 8.190 nan 0.000 0.462 16 T N 0.617 115.209 114.554 0.064 0.000 2.821 16 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 16 T C 1.832 176.533 174.700 0.001 0.000 1.046 16 T CA 1.968 64.091 62.100 0.037 0.000 1.139 16 T CB -0.304 68.590 68.868 0.044 0.000 0.871 16 T HN 0.619 nan 8.240 nan 0.000 0.454 17 E N 1.639 121.846 120.200 0.010 0.000 2.110 17 E HA -0.006 4.344 4.350 -0.001 0.000 0.193 17 E C 2.164 178.761 176.600 -0.005 0.000 0.988 17 E CA 1.262 57.657 56.400 -0.008 0.000 0.804 17 E CB -0.557 29.150 29.700 0.013 0.000 0.745 17 E HN 0.442 nan 8.360 nan 0.000 0.458 18 A N 0.689 123.524 122.820 0.024 0.000 1.898 18 A HA -0.011 4.309 4.320 -0.001 0.000 0.216 18 A C 2.438 180.038 177.584 0.026 0.000 1.181 18 A CA 1.993 54.055 52.037 0.041 0.000 0.620 18 A CB -0.956 18.093 19.000 0.081 0.000 0.819 18 A HN 0.366 nan 8.150 nan 0.000 0.442 19 A N -0.352 122.480 122.820 0.019 0.000 1.933 19 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 19 A C 2.142 179.696 177.584 -0.050 0.000 1.175 19 A CA 1.405 53.444 52.037 0.002 0.000 0.628 19 A CB -0.561 18.447 19.000 0.013 0.000 0.814 19 A HN 0.468 nan 8.150 nan 0.000 0.444 20 L N -0.833 120.331 121.223 -0.099 0.000 2.083 20 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 20 L C 2.539 179.337 176.870 -0.121 0.000 1.083 20 L CA 1.631 56.357 54.840 -0.191 0.000 0.752 20 L CB -0.353 41.501 42.059 -0.342 0.000 0.899 20 L HN 0.356 nan 8.230 nan 0.000 0.433 21 K N -0.559 119.802 120.400 -0.065 0.000 2.097 21 K HA -0.118 4.201 4.320 -0.001 0.000 0.205 21 K C 2.007 178.589 176.600 -0.031 0.000 1.050 21 K CA 1.116 57.382 56.287 -0.036 0.000 0.938 21 K CB -0.188 32.302 32.500 -0.016 0.000 0.718 21 K HN 0.091 nan 8.250 nan 0.000 0.442 22 V N 1.936 121.834 119.914 -0.027 0.000 2.255 22 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 22 V C 2.224 178.300 176.094 -0.030 0.000 1.051 22 V CA 1.699 63.985 62.300 -0.024 0.000 1.018 22 V CB -0.512 31.304 31.823 -0.011 0.000 0.641 22 V HN 0.270 nan 8.190 nan 0.000 0.445 23 L N -0.735 120.462 121.223 -0.044 0.000 2.131 23 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 23 L C 2.780 179.629 176.870 -0.034 0.000 1.092 23 L CA 1.581 56.392 54.840 -0.049 0.000 0.759 23 L CB -0.491 41.525 42.059 -0.071 0.000 0.903 23 L HN 0.238 nan 8.230 nan 0.000 0.435 24 R N -0.647 119.835 120.500 -0.031 0.000 2.119 24 R HA -0.014 4.325 4.340 -0.001 0.000 0.222 24 R C 2.417 178.717 176.300 -0.001 0.000 1.088 24 R CA 0.958 57.059 56.100 0.002 0.000 0.984 24 R CB -0.234 30.076 30.300 0.018 0.000 0.884 24 R HN 0.322 nan 8.270 nan 0.000 0.447 25 A N 1.215 124.028 122.820 -0.012 0.000 1.898 25 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 25 A C 2.103 179.679 177.584 -0.014 0.000 1.181 25 A CA 1.068 53.097 52.037 -0.013 0.000 0.620 25 A CB -0.460 18.528 19.000 -0.019 0.000 0.819 25 A HN 0.162 nan 8.150 nan 0.000 0.442 26 L N -0.628 120.584 121.223 -0.018 0.000 2.093 26 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 26 L C 2.406 179.263 176.870 -0.021 0.000 1.085 26 L CA 1.588 56.417 54.840 -0.019 0.000 0.755 26 L CB -0.603 41.441 42.059 -0.024 0.000 0.904 26 L HN 0.438 nan 8.230 nan 0.000 0.435 27 D N 0.322 120.709 120.400 -0.022 0.000 2.104 27 D HA -0.274 4.365 4.640 -0.001 0.000 0.194 27 D C 2.059 178.351 176.300 -0.014 0.000 0.994 27 D CA 1.595 55.582 54.000 -0.021 0.000 0.830 27 D CB 0.164 40.960 40.800 -0.007 0.000 0.959 27 D HN 0.302 nan 8.370 nan 0.000 0.452 28 E N -0.634 119.562 120.200 -0.007 0.000 2.031 28 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 28 E C 2.010 178.606 176.600 -0.006 0.000 0.994 28 E CA 1.213 57.610 56.400 -0.004 0.000 0.800 28 E CB -0.258 29.441 29.700 -0.002 0.000 0.752 28 E HN 0.307 nan 8.360 nan 0.000 0.447 29 A N 0.900 123.716 122.820 -0.007 0.000 1.873 29 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 29 A C 1.929 179.512 177.584 -0.003 0.000 1.186 29 A CA 1.595 53.630 52.037 -0.004 0.000 0.616 29 A CB -0.341 18.658 19.000 -0.003 0.000 0.823 29 A HN 0.243 nan 8.150 nan 0.000 0.442 30 E N -1.357 118.838 120.200 -0.009 0.000 2.400 30 E HA 0.205 4.554 4.350 -0.001 0.000 0.195 30 E C 0.980 177.570 176.600 -0.017 0.000 1.012 30 E CA 0.646 57.040 56.400 -0.011 0.000 0.875 30 E CB -0.230 29.461 29.700 -0.016 0.000 0.859 30 E HN 0.830 nan 8.360 nan 0.000 0.498 31 G N 2.408 111.196 108.800 -0.020 0.000 2.368 31 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.290 31 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.290 31 G C 0.658 175.535 174.900 -0.039 0.000 1.098 31 G CA 0.394 45.480 45.100 -0.024 0.000 1.073 31 G HN 0.268 nan 8.290 nan 0.000 0.511 32 L N 0.077 121.269 121.223 -0.053 0.000 2.313 32 L HA 0.266 4.606 4.340 -0.001 0.000 0.214 32 L C 2.319 179.125 176.870 -0.105 0.000 1.119 32 L CA 0.832 55.618 54.840 -0.091 0.000 0.809 32 L CB -0.208 41.782 42.059 -0.115 0.000 0.933 32 L HN 1.301 nan 8.230 nan 0.000 0.449 33 G N 1.345 110.103 108.800 -0.070 0.000 2.198 33 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.257 33 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.257 33 G C -0.024 174.834 174.900 -0.071 0.000 1.042 33 G CA -0.068 44.996 45.100 -0.061 0.000 0.791 33 G HN 0.175 nan 8.290 nan 0.000 0.502 34 L N 0.457 121.644 121.223 -0.060 0.000 2.559 34 L HA 0.488 4.828 4.340 -0.001 0.000 0.274 34 L C 0.736 177.612 176.870 0.010 0.000 1.205 34 L CA 1.102 55.926 54.840 -0.027 0.000 0.907 34 L CB 0.549 42.626 42.059 0.030 0.000 1.153 34 L HN 1.046 nan 8.230 nan 0.000 0.490 35 A N 6.084 128.919 122.820 0.026 0.000 2.943 35 A HA 0.428 4.747 4.320 -0.001 0.000 0.327 35 A C -1.010 176.614 177.584 0.067 0.000 1.141 35 A CA -0.629 51.411 52.037 0.005 0.000 0.773 35 A CB -0.233 18.769 19.000 0.003 0.000 1.143 35 A HN 0.698 nan 8.150 nan 0.000 0.463 36 Y N -0.528 119.782 120.300 0.016 0.000 2.403 36 Y HA 0.804 5.353 4.550 -0.001 0.000 0.323 36 Y C -0.059 175.854 175.900 0.022 0.000 1.226 36 Y CA -1.098 57.026 58.100 0.040 0.000 1.235 36 Y CB 0.976 39.456 38.460 0.033 0.000 1.248 36 Y HN 0.506 nan 8.280 nan 0.000 0.489 37 E N 1.969 122.268 120.200 0.165 0.000 2.290 37 E HA 0.467 4.817 4.350 -0.001 0.000 0.274 37 E C -1.995 174.585 176.600 -0.034 0.000 0.889 37 E CA -0.928 55.430 56.400 -0.069 0.000 0.760 37 E CB 2.288 31.854 29.700 -0.222 0.000 1.206 37 E HN 0.718 nan 8.360 nan 0.000 0.419 38 V N 5.166 125.031 119.914 -0.082 0.000 2.488 38 V HA 0.287 4.406 4.120 -0.001 0.000 0.277 38 V C -0.447 175.488 176.094 -0.264 0.000 1.046 38 V CA 0.211 62.496 62.300 -0.025 0.000 0.986 38 V CB -0.072 31.795 31.823 0.072 0.000 0.989 38 V HN 0.495 nan 8.190 nan 0.000 0.475 39 F N 5.579 125.592 119.950 0.106 0.000 2.538 39 F HA 0.593 5.120 4.527 -0.001 0.000 0.325 39 F C -2.185 173.702 175.800 0.145 0.000 1.066 39 F CA -2.683 55.378 58.000 0.102 0.000 0.946 39 F CB 1.749 40.788 39.000 0.065 0.000 1.199 39 F HN 0.308 nan 8.300 nan 0.000 0.473 40 P HA 0.284 nan 4.420 nan 0.000 0.281 40 P C -1.273 176.263 177.300 0.393 0.000 1.252 40 P CA -0.021 63.280 63.100 0.334 0.000 0.778 40 P CB 0.634 32.579 31.700 0.408 0.000 0.895 41 F N 1.928 121.939 119.950 0.102 0.000 2.668 41 F HA 0.571 5.097 4.527 -0.001 0.000 0.309 41 F C 0.817 176.586 175.800 -0.052 0.000 1.117 41 F CA 0.534 58.562 58.000 0.046 0.000 0.951 41 F CB 1.470 40.494 39.000 0.040 0.000 1.323 41 F HN 0.648 nan 8.300 nan 0.000 0.451 42 G N 2.481 110.745 108.800 -0.894 0.000 2.611 42 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.301 42 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.301 42 G C 1.066 175.589 174.900 -0.629 0.000 1.233 42 G CA 0.511 45.159 45.100 -0.753 0.000 0.993 42 G HN 1.759 nan 8.290 nan 0.000 0.553 43 G N -0.175 108.074 108.800 -0.918 0.000 2.418 43 G HA2 0.224 4.184 3.960 -0.001 0.000 0.217 43 G HA3 0.224 4.184 3.960 -0.001 0.000 0.217 43 G C 2.200 176.535 174.900 -0.942 0.000 1.158 43 G CA 2.969 46.995 45.100 -1.791 0.000 0.771 43 G HN 1.884 nan 8.290 nan 0.000 0.545 44 A N 1.081 123.615 122.820 -0.475 0.000 1.978 44 A HA 0.203 4.522 4.320 -0.001 0.000 0.220 44 A C 2.753 180.337 177.584 -0.001 0.000 1.170 44 A CA 2.319 54.295 52.037 -0.103 0.000 0.636 44 A CB -0.618 18.380 19.000 -0.003 0.000 0.810 44 A HN 0.769 nan 8.150 nan 0.000 0.448 45 A N -0.347 122.461 122.820 -0.019 0.000 1.930 45 A HA 0.063 4.383 4.320 -0.001 0.000 0.215 45 A C 2.071 179.746 177.584 0.151 0.000 1.176 45 A CA 1.192 53.328 52.037 0.165 0.000 0.632 45 A CB -0.488 18.593 19.000 0.135 0.000 0.819 45 A HN 0.478 nan 8.150 nan 0.000 0.445 46 I N 0.164 120.717 120.570 -0.028 0.000 2.179 46 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 46 I C 1.753 177.936 176.117 0.109 0.000 1.088 46 I CA 1.467 62.785 61.300 0.030 0.000 1.357 46 I CB -0.447 37.523 38.000 -0.049 0.000 1.051 46 I HN 0.236 nan 8.210 nan 0.000 0.409 47 D N 0.998 121.476 120.400 0.130 0.000 2.149 47 D HA -0.160 4.480 4.640 -0.001 0.000 0.198 47 D C 2.128 178.450 176.300 0.037 0.000 0.990 47 D CA 1.688 55.775 54.000 0.146 0.000 0.839 47 D CB -0.067 40.852 40.800 0.198 0.000 0.948 47 D HN 0.411 nan 8.370 nan 0.000 0.460 48 A N -1.087 121.724 122.820 -0.014 0.000 1.997 48 A HA 0.112 4.432 4.320 -0.001 0.000 0.212 48 A C 1.429 178.742 177.584 -0.451 0.000 1.178 48 A CA 0.434 52.315 52.037 -0.261 0.000 0.698 48 A CB -0.043 18.746 19.000 -0.352 0.000 0.842 48 A HN 0.158 nan 8.150 nan 0.000 0.458 49 F N -1.940 118.036 119.950 0.043 0.000 2.831 49 F HA 0.383 4.910 4.527 -0.001 0.000 0.334 49 F C 1.677 177.497 175.800 0.033 0.000 1.071 49 F CA 0.368 58.391 58.000 0.038 0.000 1.172 49 F CB 0.717 39.742 39.000 0.042 0.000 1.054 49 F HN 0.317 nan 8.300 nan 0.000 0.572 50 G N 1.357 110.268 108.800 0.184 0.000 2.143 50 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.249 50 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.249 50 G C -0.046 174.922 174.900 0.113 0.000 0.981 50 G CA 0.464 45.639 45.100 0.125 0.000 0.665 50 G HN 0.479 nan 8.290 nan 0.000 0.528 51 E N -1.812 118.464 120.200 0.127 0.000 2.445 51 E HA 0.659 5.009 4.350 -0.001 0.000 0.279 51 E C -2.579 174.053 176.600 0.053 0.000 1.018 51 E CA -1.580 54.867 56.400 0.078 0.000 0.816 51 E CB 1.783 31.526 29.700 0.072 0.000 1.356 51 E HN 0.006 nan 8.360 nan 0.000 0.462 52 P HA 0.096 nan 4.420 nan 0.000 0.232 52 P C -0.113 177.229 177.300 0.070 0.000 1.170 52 P CA 0.448 63.498 63.100 -0.083 0.000 0.824 52 P CB 0.353 31.938 31.700 -0.192 0.000 0.896 53 F N 2.657 122.599 119.950 -0.014 0.000 2.523 53 F HA 0.508 5.035 4.527 -0.001 0.000 0.322 53 F C -2.694 173.107 175.800 0.001 0.000 1.361 53 F CA -4.033 54.025 58.000 0.097 0.000 1.151 53 F CB 0.073 39.149 39.000 0.127 0.000 1.391 53 F HN -0.199 nan 8.300 nan 0.000 0.566 54 P HA 0.128 nan 4.420 nan 0.000 0.274 54 P C 0.769 177.834 177.300 -0.392 0.000 1.256 54 P CA 0.055 63.000 63.100 -0.257 0.000 0.795 54 P CB 1.011 32.420 31.700 -0.485 0.000 1.038 55 E N 1.642 121.635 120.200 -0.345 0.000 2.058 55 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 55 E C -0.953 175.478 176.600 -0.282 0.000 0.997 55 E CA 2.349 58.566 56.400 -0.305 0.000 0.801 55 E CB -2.078 27.508 29.700 -0.191 0.000 0.746 55 E HN 0.343 nan 8.360 nan 0.000 0.450 56 P HA -0.059 nan 4.420 nan 0.000 0.220 56 P C 1.031 178.233 177.300 -0.163 0.000 1.148 56 P CA 1.613 64.644 63.100 -0.116 0.000 0.803 56 P CB -0.004 31.671 31.700 -0.041 0.000 0.782 57 T N -1.248 113.163 114.554 -0.238 0.000 2.896 57 T HA -0.037 4.313 4.350 -0.001 0.000 0.263 57 T C 1.880 176.341 174.700 -0.398 0.000 1.050 57 T CA 0.691 62.588 62.100 -0.339 0.000 1.140 57 T CB -0.328 68.552 68.868 0.020 0.000 0.877 57 T HN 0.063 nan 8.240 nan 0.000 0.457 58 R N 1.030 121.217 120.500 -0.521 0.000 2.096 58 R HA -0.026 4.313 4.340 -0.001 0.000 0.235 58 R C 2.447 178.554 176.300 -0.322 0.000 1.127 58 R CA 1.292 57.025 56.100 -0.610 0.000 0.968 58 R CB -0.023 29.788 30.300 -0.816 0.000 0.861 58 R HN 0.232 nan 8.270 nan 0.000 0.440 59 K N -0.846 119.373 120.400 -0.303 0.000 2.007 59 K HA -0.071 4.249 4.320 -0.001 0.000 0.206 59 K C 1.974 178.427 176.600 -0.244 0.000 1.047 59 K CA 1.442 57.604 56.287 -0.209 0.000 0.937 59 K CB -0.301 32.115 32.500 -0.140 0.000 0.718 59 K HN 0.302 nan 8.250 nan 0.000 0.438 60 G N 0.694 109.205 108.800 -0.483 0.000 2.469 60 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 60 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 60 G C 1.496 176.154 174.900 -0.402 0.000 1.150 60 G CA 0.984 45.684 45.100 -0.667 0.000 0.763 60 G HN 0.198 nan 8.290 nan 0.000 0.561 61 V N 0.632 120.316 119.914 -0.382 0.000 2.295 61 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 61 V C 2.694 178.733 176.094 -0.091 0.000 1.049 61 V CA 2.392 64.586 62.300 -0.176 0.000 1.024 61 V CB -0.325 31.450 31.823 -0.079 0.000 0.648 61 V HN 0.455 nan 8.190 nan 0.000 0.447 62 E N 0.786 120.931 120.200 -0.091 0.000 2.038 62 E HA -0.253 4.097 4.350 -0.001 0.000 0.195 62 E C 2.069 178.651 176.600 -0.030 0.000 1.000 62 E CA 1.976 58.344 56.400 -0.053 0.000 0.803 62 E CB -0.277 29.384 29.700 -0.065 0.000 0.750 62 E HN 0.667 nan 8.360 nan 0.000 0.448 63 E N -0.407 119.776 120.200 -0.029 0.000 2.482 63 E HA 0.140 4.489 4.350 -0.001 0.000 0.196 63 E C -0.003 176.619 176.600 0.036 0.000 1.047 63 E CA 0.183 56.586 56.400 0.006 0.000 0.869 63 E CB 0.277 29.983 29.700 0.011 0.000 0.836 63 E HN 0.274 nan 8.360 nan 0.000 0.520 64 A N 0.860 123.703 122.820 0.037 0.000 2.287 64 A HA 0.157 4.476 4.320 -0.001 0.000 0.273 64 A C 0.502 178.137 177.584 0.086 0.000 1.091 64 A CA -0.359 51.730 52.037 0.086 0.000 0.817 64 A CB 0.520 19.582 19.000 0.103 0.000 1.069 64 A HN 0.068 nan 8.150 nan 0.000 0.492 65 E N -0.501 119.785 120.200 0.143 0.000 2.474 65 E HA 0.390 4.740 4.350 -0.001 0.000 0.194 65 E C 0.198 176.806 176.600 0.013 0.000 1.041 65 E CA 0.704 57.162 56.400 0.097 0.000 0.874 65 E CB 0.350 30.183 29.700 0.221 0.000 0.914 65 E HN 0.760 nan 8.360 nan 0.000 0.498 66 A N -0.034 122.856 122.820 0.117 0.000 2.586 66 A HA 0.505 4.824 4.320 -0.001 0.000 0.291 66 A C -1.581 176.114 177.584 0.186 0.000 1.062 66 A CA -0.675 51.460 52.037 0.163 0.000 0.666 66 A CB 1.379 20.476 19.000 0.161 0.000 1.281 66 A HN -0.041 nan 8.150 nan 0.000 0.421 67 V N 1.224 121.263 119.914 0.207 0.000 2.444 67 V HA 0.550 4.669 4.120 -0.001 0.000 0.294 67 V C -0.953 175.257 176.094 0.193 0.000 1.022 67 V CA -0.427 61.948 62.300 0.125 0.000 0.850 67 V CB 1.358 33.171 31.823 -0.016 0.000 0.992 67 V HN 0.826 nan 8.190 nan 0.000 0.426 68 L N 6.358 127.670 121.223 0.148 0.000 2.265 68 L HA 0.655 4.995 4.340 -0.001 0.000 0.289 68 L C -0.798 176.116 176.870 0.074 0.000 1.033 68 L CA -0.146 54.773 54.840 0.133 0.000 0.814 68 L CB 1.238 43.358 42.059 0.100 0.000 1.203 68 L HN 0.618 nan 8.230 nan 0.000 0.423 69 L N 5.005 126.265 121.223 0.061 0.000 2.329 69 L HA 0.837 5.176 4.340 -0.001 0.000 0.279 69 L C 0.507 177.405 176.870 0.046 0.000 1.014 69 L CA 0.266 55.121 54.840 0.025 0.000 0.814 69 L CB 1.622 43.667 42.059 -0.023 0.000 1.257 69 L HN 0.645 nan 8.230 nan 0.000 0.424 70 G N 2.226 111.069 108.800 0.072 0.000 3.348 70 G HA2 0.447 4.406 3.960 -0.001 0.000 0.180 70 G HA3 0.447 4.406 3.960 -0.001 0.000 0.180 70 G C -0.746 174.197 174.900 0.071 0.000 1.915 70 G CA -0.105 45.042 45.100 0.078 0.000 0.937 70 G HN 0.591 nan 8.290 nan 0.000 0.564 71 S N -1.376 114.385 115.700 0.101 0.000 2.549 71 S HA 0.581 5.050 4.470 -0.001 0.000 0.280 71 S C -0.701 173.937 174.600 0.063 0.000 1.109 71 S CA -0.503 57.748 58.200 0.086 0.000 0.905 71 S CB 1.933 65.204 63.200 0.118 0.000 1.081 71 S HN 0.918 nan 8.310 nan 0.000 0.477 72 V N -0.247 119.678 119.914 0.019 0.000 2.628 72 V HA 1.074 5.194 4.120 -0.001 0.000 0.306 72 V C 0.308 176.378 176.094 -0.041 0.000 1.045 72 V CA -0.173 62.080 62.300 -0.079 0.000 0.905 72 V CB 0.462 32.163 31.823 -0.203 0.000 0.997 72 V HN 1.455 nan 8.190 nan 0.000 0.436 73 G N 1.063 109.834 108.800 -0.049 0.000 2.484 73 G HA2 0.551 4.511 3.960 -0.001 0.000 0.685 73 G HA3 0.551 4.511 3.960 -0.001 0.000 0.685 73 G C -0.285 174.794 174.900 0.298 0.000 1.294 73 G CA -0.050 45.112 45.100 0.103 0.000 0.879 73 G HN 2.437 nan 8.290 nan 0.000 0.646 74 G N -0.391 108.665 108.800 0.428 0.000 2.342 74 G HA2 0.849 4.809 3.960 -0.001 0.000 0.297 74 G HA3 0.849 4.809 3.960 -0.001 0.000 0.297 74 G C -1.736 173.239 174.900 0.125 0.000 1.313 74 G CA 0.641 45.920 45.100 0.299 0.000 0.830 74 G HN 0.823 nan 8.290 nan 0.000 0.506 75 P HA -0.168 nan 4.420 nan 0.000 0.216 75 P C 1.446 178.603 177.300 -0.238 0.000 1.153 75 P CA 1.586 64.619 63.100 -0.111 0.000 0.858 75 P CB 0.196 31.821 31.700 -0.125 0.000 0.789 76 K N -1.146 118.921 120.400 -0.555 0.000 2.209 76 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 76 K C 1.343 177.490 176.600 -0.756 0.000 1.048 76 K CA 1.116 56.885 56.287 -0.862 0.000 0.940 76 K CB -0.120 31.488 32.500 -1.486 0.000 0.729 76 K HN 0.222 nan 8.250 nan 0.000 0.451 77 W N 0.583 121.879 121.300 -0.008 0.000 2.991 77 W HA 0.151 4.811 4.660 -0.001 0.000 0.391 77 W C 0.344 176.854 176.519 -0.015 0.000 1.054 77 W CA -0.548 56.790 57.345 -0.012 0.000 1.856 77 W CB 0.256 29.706 29.460 -0.017 0.000 1.132 77 W HN 0.055 nan 8.180 nan 0.000 0.601 78 D N 0.739 121.200 120.400 0.101 0.000 2.149 78 D HA -0.051 4.588 4.640 -0.001 0.000 0.201 78 D C 1.755 178.078 176.300 0.039 0.000 0.972 78 D CA 1.042 55.081 54.000 0.064 0.000 0.835 78 D CB -0.057 40.759 40.800 0.027 0.000 0.966 78 D HN 0.025 nan 8.370 nan 0.000 0.476 79 G N 0.940 109.750 108.800 0.018 0.000 3.343 79 G HA2 0.450 4.409 3.960 -0.001 0.000 0.264 79 G HA3 0.450 4.409 3.960 -0.001 0.000 0.264 79 G C -0.186 174.733 174.900 0.032 0.000 0.884 79 G CA -0.119 44.989 45.100 0.013 0.000 1.916 79 G HN 0.060 nan 8.290 nan 0.000 0.618 80 L N 0.500 121.752 121.223 0.048 0.000 2.465 80 L HA 0.402 4.741 4.340 -0.001 0.000 0.257 80 L C -2.269 174.624 176.870 0.039 0.000 0.988 80 L CA -2.016 52.856 54.840 0.055 0.000 0.827 80 L CB 2.733 44.848 42.059 0.092 0.000 1.397 80 L HN 0.114 nan 8.230 nan 0.000 0.410 81 P HA 0.249 nan 4.420 nan 0.000 0.271 81 P C 0.189 177.500 177.300 0.019 0.000 1.233 81 P CA -0.483 62.630 63.100 0.021 0.000 0.789 81 P CB 0.603 32.315 31.700 0.020 0.000 0.951 82 R N 0.601 121.107 120.500 0.011 0.000 2.193 82 R HA -0.166 4.173 4.340 -0.001 0.000 0.229 82 R C 1.837 178.144 176.300 0.011 0.000 1.110 82 R CA 1.049 57.153 56.100 0.006 0.000 0.988 82 R CB -0.301 29.998 30.300 -0.001 0.000 0.871 82 R HN 0.442 nan 8.270 nan 0.000 0.458 83 K N 2.035 122.445 120.400 0.016 0.000 1.988 83 K HA -0.167 4.152 4.320 -0.001 0.000 0.221 83 K C 1.418 178.033 176.600 0.025 0.000 1.053 83 K CA 1.730 58.030 56.287 0.021 0.000 0.959 83 K CB -0.161 32.352 32.500 0.023 0.000 0.728 83 K HN 0.313 nan 8.250 nan 0.000 0.447 84 I N -0.829 119.757 120.570 0.027 0.000 3.731 84 I HA 0.294 4.463 4.170 -0.001 0.000 0.341 84 I C -0.106 176.017 176.117 0.009 0.000 1.532 84 I CA -0.718 60.597 61.300 0.025 0.000 1.163 84 I CB 0.168 38.192 38.000 0.039 0.000 1.339 84 I HN 0.006 nan 8.210 nan 0.000 0.449 85 R N 2.622 123.122 120.500 -0.000 0.000 2.491 85 R HA 0.241 4.580 4.340 -0.001 0.000 0.283 85 R C -1.562 174.694 176.300 -0.074 0.000 1.072 85 R CA -1.218 54.874 56.100 -0.013 0.000 1.048 85 R CB 1.046 31.340 30.300 -0.009 0.000 0.983 85 R HN 0.042 nan 8.270 nan 0.000 0.450 86 P HA -0.144 nan 4.420 nan 0.000 0.218 86 P C 0.201 177.376 177.300 -0.209 0.000 1.149 86 P CA 1.092 64.054 63.100 -0.231 0.000 0.817 86 P CB 0.225 31.782 31.700 -0.238 0.000 0.785 87 E N -0.886 119.249 120.200 -0.109 0.000 2.208 87 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 87 E C 1.611 178.167 176.600 -0.072 0.000 0.988 87 E CA 1.204 57.555 56.400 -0.082 0.000 0.828 87 E CB -1.563 28.111 29.700 -0.043 0.000 0.763 87 E HN 0.258 nan 8.360 nan 0.000 0.478 88 T N 1.036 115.552 114.554 -0.062 0.000 2.857 88 T HA -0.016 4.334 4.350 -0.001 0.000 0.266 88 T C 1.980 176.654 174.700 -0.043 0.000 1.048 88 T CA 1.195 63.274 62.100 -0.036 0.000 1.139 88 T CB -0.515 68.346 68.868 -0.012 0.000 0.874 88 T HN 0.407 nan 8.240 nan 0.000 0.455 89 G N 2.027 110.773 108.800 -0.091 0.000 2.513 89 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.219 89 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.219 89 G C 1.508 176.338 174.900 -0.116 0.000 1.160 89 G CA 1.018 46.048 45.100 -0.116 0.000 0.767 89 G HN 0.408 nan 8.290 nan 0.000 0.571 90 L N 0.427 121.589 121.223 -0.101 0.000 2.083 90 L HA 0.077 4.417 4.340 -0.001 0.000 0.209 90 L C 2.713 179.562 176.870 -0.036 0.000 1.083 90 L CA 1.368 56.227 54.840 0.032 0.000 0.752 90 L CB -0.421 41.643 42.059 0.008 0.000 0.899 90 L HN 0.256 nan 8.230 nan 0.000 0.433 91 L N -1.743 119.457 121.223 -0.037 0.000 2.109 91 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 91 L C 2.625 179.484 176.870 -0.019 0.000 1.086 91 L CA 1.272 56.102 54.840 -0.016 0.000 0.760 91 L CB -0.743 41.319 42.059 0.005 0.000 0.910 91 L HN 0.266 nan 8.230 nan 0.000 0.437 92 S N 0.169 115.858 115.700 -0.019 0.000 2.402 92 S HA -0.159 4.311 4.470 -0.001 0.000 0.229 92 S C 1.902 176.478 174.600 -0.041 0.000 1.021 92 S CA 1.089 59.309 58.200 0.032 0.000 0.974 92 S CB -0.192 63.092 63.200 0.140 0.000 0.800 92 S HN 0.303 nan 8.310 nan 0.000 0.484 93 L N 2.108 123.118 121.223 -0.356 0.000 1.970 93 L HA -0.065 4.275 4.340 -0.001 0.000 0.212 93 L C 2.378 179.134 176.870 -0.191 0.000 1.071 93 L CA 1.978 56.503 54.840 -0.525 0.000 0.751 93 L CB -0.766 40.884 42.059 -0.680 0.000 0.889 93 L HN 0.189 nan 8.230 nan 0.000 0.432 94 R N -0.318 120.095 120.500 -0.145 0.000 2.092 94 R HA -0.189 4.151 4.340 -0.001 0.000 0.231 94 R C 2.359 178.622 176.300 -0.062 0.000 1.119 94 R CA 1.584 57.622 56.100 -0.103 0.000 0.970 94 R CB -0.378 29.874 30.300 -0.081 0.000 0.864 94 R HN 0.493 nan 8.270 nan 0.000 0.440 95 K N 1.148 121.528 120.400 -0.034 0.000 2.057 95 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 95 K C 2.049 178.642 176.600 -0.012 0.000 1.049 95 K CA 1.957 58.230 56.287 -0.025 0.000 0.931 95 K CB -0.144 32.354 32.500 -0.003 0.000 0.714 95 K HN 0.108 nan 8.250 nan 0.000 0.440 96 S N -0.073 115.641 115.700 0.024 0.000 2.469 96 S HA -0.119 4.351 4.470 -0.001 0.000 0.238 96 S C 1.348 175.955 174.600 0.012 0.000 0.998 96 S CA 0.804 59.033 58.200 0.048 0.000 0.957 96 S CB -0.127 63.158 63.200 0.141 0.000 0.764 96 S HN 0.418 nan 8.310 nan 0.000 0.514 97 Q N 0.516 120.304 119.800 -0.019 0.000 2.247 97 Q HA 0.202 4.542 4.340 -0.001 0.000 0.211 97 Q C -0.248 175.727 176.000 -0.041 0.000 0.861 97 Q CA 0.278 56.057 55.803 -0.039 0.000 0.949 97 Q CB -0.134 28.562 28.738 -0.070 0.000 1.115 97 Q HN 0.568 nan 8.270 nan 0.000 0.507 98 D N 0.994 121.378 120.400 -0.028 0.000 2.697 98 D HA -0.172 4.467 4.640 -0.001 0.000 0.238 98 D C -1.047 175.246 176.300 -0.012 0.000 1.152 98 D CA 0.356 54.364 54.000 0.012 0.000 0.666 98 D CB -1.196 39.639 40.800 0.058 0.000 1.037 98 D HN 0.270 nan 8.370 nan 0.000 0.423 99 L N 1.422 122.590 121.223 -0.090 0.000 2.312 99 L HA 0.231 4.570 4.340 -0.001 0.000 0.287 99 L C 1.671 178.459 176.870 -0.136 0.000 1.091 99 L CA -0.772 53.935 54.840 -0.221 0.000 0.846 99 L CB 0.043 41.971 42.059 -0.218 0.000 1.219 99 L HN 0.123 nan 8.230 nan 0.000 0.439 100 F N 0.759 120.687 119.950 -0.036 0.000 2.776 100 F HA 0.534 5.060 4.527 -0.001 0.000 0.300 100 F C 0.809 176.615 175.800 0.009 0.000 1.116 100 F CA -0.699 57.301 58.000 -0.001 0.000 1.375 100 F CB -0.013 38.993 39.000 0.010 0.000 1.109 100 F HN 0.277 nan 8.300 nan 0.000 0.585 101 A N 1.185 123.903 122.820 -0.171 0.000 2.357 101 A HA 0.519 4.838 4.320 -0.001 0.000 0.295 101 A C -1.308 176.199 177.584 -0.128 0.000 1.121 101 A CA -0.643 51.359 52.037 -0.059 0.000 0.742 101 A CB 0.288 19.234 19.000 -0.091 0.000 1.181 101 A HN 0.219 nan 8.150 nan 0.000 0.454 102 N N 1.661 120.330 118.700 -0.051 0.000 2.419 102 N HA 0.554 5.293 4.740 -0.001 0.000 0.264 102 N C -1.296 174.167 175.510 -0.078 0.000 1.031 102 N CA -0.170 52.834 53.050 -0.076 0.000 0.951 102 N CB 0.637 39.109 38.487 -0.025 0.000 1.101 102 N HN 0.439 nan 8.380 nan 0.000 0.488 103 L N 3.841 124.993 121.223 -0.119 0.000 2.301 103 L HA 0.457 4.796 4.340 -0.001 0.000 0.278 103 L C -0.019 176.821 176.870 -0.049 0.000 1.022 103 L CA -0.133 54.648 54.840 -0.100 0.000 0.854 103 L CB 0.908 42.856 42.059 -0.186 0.000 1.226 103 L HN 0.409 nan 8.230 nan 0.000 0.429 104 R N 4.556 125.042 120.500 -0.022 0.000 2.310 104 R HA 0.423 4.763 4.340 -0.001 0.000 0.316 104 R C -2.477 173.828 176.300 0.009 0.000 1.004 104 R CA -1.571 54.529 56.100 0.000 0.000 0.900 104 R CB 1.430 31.730 30.300 -0.000 0.000 1.152 104 R HN 0.272 nan 8.270 nan 0.000 0.513 105 P HA 0.194 nan 4.420 nan 0.000 0.285 105 P C -1.140 176.166 177.300 0.011 0.000 1.259 105 P CA -0.443 62.668 63.100 0.019 0.000 0.794 105 P CB 1.770 33.492 31.700 0.037 0.000 0.940 106 A N 3.575 126.391 122.820 -0.005 0.000 2.273 106 A HA 0.594 4.913 4.320 -0.001 0.000 0.315 106 A C -0.185 177.369 177.584 -0.051 0.000 1.256 106 A CA -0.590 51.440 52.037 -0.012 0.000 0.851 106 A CB 0.540 19.539 19.000 -0.002 0.000 1.172 106 A HN 0.535 nan 8.150 nan 0.000 0.508 107 K N 2.396 122.737 120.400 -0.098 0.000 2.482 107 K HA 0.578 4.898 4.320 -0.001 0.000 0.251 107 K C -1.837 174.620 176.600 -0.238 0.000 0.936 107 K CA -0.447 55.697 56.287 -0.237 0.000 0.791 107 K CB 2.070 34.302 32.500 -0.447 0.000 1.213 107 K HN 0.364 nan 8.250 nan 0.000 0.428 108 V N 5.968 125.770 119.914 -0.186 0.000 2.304 108 V HA 0.327 4.447 4.120 -0.001 0.000 0.269 108 V C -0.485 175.545 176.094 -0.107 0.000 1.036 108 V CA -0.590 61.668 62.300 -0.070 0.000 0.840 108 V CB -0.102 31.714 31.823 -0.010 0.000 1.036 108 V HN 0.641 nan 8.190 nan 0.000 0.466 109 F N 6.430 126.398 119.950 0.030 0.000 2.553 109 F HA 0.261 4.787 4.527 -0.001 0.000 0.356 109 F C -1.628 174.184 175.800 0.019 0.000 1.142 109 F CA -1.833 56.183 58.000 0.026 0.000 1.322 109 F CB 0.116 39.135 39.000 0.032 0.000 1.126 109 F HN 0.323 nan 8.300 nan 0.000 0.599 110 P HA 0.173 nan 4.420 nan 0.000 0.266 110 P C 0.548 177.912 177.300 0.106 0.000 1.215 110 P CA 0.875 64.041 63.100 0.110 0.000 0.763 110 P CB 0.463 32.212 31.700 0.083 0.000 0.806 111 G N 2.735 111.582 108.800 0.079 0.000 2.201 111 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.212 111 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.212 111 G C 0.493 175.434 174.900 0.070 0.000 0.994 111 G CA -0.235 44.902 45.100 0.062 0.000 0.644 111 G HN 0.489 nan 8.290 nan 0.000 0.508 112 L N 0.463 121.745 121.223 0.097 0.000 2.728 112 L HA 0.272 4.611 4.340 -0.001 0.000 0.238 112 L C 2.010 178.926 176.870 0.076 0.000 1.143 112 L CA 0.312 55.211 54.840 0.098 0.000 0.937 112 L CB 0.221 42.373 42.059 0.154 0.000 1.225 112 L HN 0.143 nan 8.230 nan 0.000 0.507 113 E N 0.993 121.229 120.200 0.061 0.000 2.267 113 E HA -0.223 4.126 4.350 -0.001 0.000 0.197 113 E C 1.965 178.587 176.600 0.037 0.000 0.998 113 E CA 0.975 57.401 56.400 0.044 0.000 0.830 113 E CB -0.143 29.577 29.700 0.034 0.000 0.751 113 E HN 0.519 nan 8.360 nan 0.000 0.491 114 R N 0.307 120.828 120.500 0.036 0.000 2.235 114 R HA 0.037 4.377 4.340 -0.001 0.000 0.213 114 R C 1.751 178.068 176.300 0.029 0.000 1.059 114 R CA 0.743 56.861 56.100 0.029 0.000 0.997 114 R CB -0.266 30.049 30.300 0.026 0.000 0.884 114 R HN 0.182 nan 8.270 nan 0.000 0.462 115 L N 0.844 122.089 121.223 0.036 0.000 2.209 115 L HA 0.071 4.411 4.340 -0.001 0.000 0.207 115 L C 1.297 178.187 176.870 0.033 0.000 1.094 115 L CA 0.057 54.918 54.840 0.034 0.000 0.790 115 L CB -0.268 41.817 42.059 0.043 0.000 0.932 115 L HN 0.165 nan 8.230 nan 0.000 0.447 116 S N 1.010 116.731 115.700 0.036 0.000 2.563 116 S HA 0.035 4.505 4.470 -0.001 0.000 0.284 116 S C -1.160 173.455 174.600 0.025 0.000 1.331 116 S CA -1.043 57.176 58.200 0.032 0.000 1.047 116 S CB 0.680 63.898 63.200 0.031 0.000 0.859 116 S HN 0.034 nan 8.310 nan 0.000 0.514 117 P HA 0.047 nan 4.420 nan 0.000 0.230 117 P C 0.082 177.393 177.300 0.019 0.000 1.158 117 P CA 0.579 63.690 63.100 0.019 0.000 0.769 117 P CB -0.061 31.649 31.700 0.017 0.000 0.807 118 L N 0.109 121.344 121.223 0.021 0.000 2.418 118 L HA 0.200 4.539 4.340 -0.001 0.000 0.265 118 L C 1.090 177.972 176.870 0.020 0.000 1.143 118 L CA -0.796 54.057 54.840 0.021 0.000 0.809 118 L CB 0.290 42.364 42.059 0.025 0.000 1.124 118 L HN -0.190 nan 8.230 nan 0.000 0.456 119 K N 1.545 121.956 120.400 0.018 0.000 2.489 119 K HA -0.067 4.253 4.320 -0.001 0.000 0.278 119 K C 0.935 177.545 176.600 0.017 0.000 1.000 119 K CA 0.139 56.435 56.287 0.016 0.000 1.012 119 K CB 0.632 33.141 32.500 0.014 0.000 0.903 119 K HN 0.554 nan 8.250 nan 0.000 0.485 120 E N 2.279 122.489 120.200 0.016 0.000 2.097 120 E HA -0.258 4.091 4.350 -0.001 0.000 0.196 120 E C 1.249 177.858 176.600 0.014 0.000 1.000 120 E CA 1.586 57.996 56.400 0.017 0.000 0.804 120 E CB 0.082 29.792 29.700 0.017 0.000 0.740 120 E HN 0.475 nan 8.360 nan 0.000 0.454 121 E N 0.244 120.451 120.200 0.011 0.000 2.267 121 E HA -0.151 4.198 4.350 -0.001 0.000 0.197 121 E C 1.749 178.353 176.600 0.007 0.000 0.998 121 E CA 0.850 57.255 56.400 0.007 0.000 0.830 121 E CB -0.003 29.701 29.700 0.006 0.000 0.751 121 E HN 0.371 nan 8.360 nan 0.000 0.491 122 I N -0.678 119.899 120.570 0.012 0.000 2.810 122 I HA 0.013 4.182 4.170 -0.001 0.000 0.262 122 I C 2.100 178.228 176.117 0.018 0.000 1.131 122 I CA 0.531 61.840 61.300 0.015 0.000 1.453 122 I CB -0.059 37.953 38.000 0.021 0.000 1.161 122 I HN 0.063 nan 8.210 nan 0.000 0.444 123 A N 0.923 123.755 122.820 0.019 0.000 1.972 123 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 123 A C 1.627 179.218 177.584 0.012 0.000 1.169 123 A CA 0.483 52.531 52.037 0.019 0.000 0.635 123 A CB -0.502 18.511 19.000 0.023 0.000 0.810 123 A HN 0.336 nan 8.150 nan 0.000 0.446 124 R N -0.248 120.258 120.500 0.010 0.000 2.480 124 R HA 0.263 4.602 4.340 -0.001 0.000 0.303 124 R C 1.048 177.345 176.300 -0.006 0.000 0.985 124 R CA 0.998 57.101 56.100 0.005 0.000 1.051 124 R CB -0.335 29.968 30.300 0.005 0.000 0.935 124 R HN 0.814 nan 8.270 nan 0.000 0.410 125 G N 2.546 111.338 108.800 -0.013 0.000 2.175 125 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 125 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 125 G C 0.001 174.884 174.900 -0.029 0.000 0.982 125 G CA -0.017 45.068 45.100 -0.024 0.000 0.641 125 G HN 0.565 nan 8.290 nan 0.000 0.527 126 V N 1.264 121.164 119.914 -0.022 0.000 2.585 126 V HA 0.474 4.593 4.120 -0.001 0.000 0.296 126 V C 0.370 176.436 176.094 -0.047 0.000 1.035 126 V CA 1.246 63.539 62.300 -0.011 0.000 1.084 126 V CB 1.578 33.405 31.823 0.007 0.000 0.953 126 V HN 0.439 nan 8.190 nan 0.000 0.483 127 D N 3.712 124.099 120.400 -0.022 0.000 2.881 127 D HA 0.146 4.785 4.640 -0.001 0.000 0.238 127 D C -1.241 175.063 176.300 0.006 0.000 1.368 127 D CA -0.165 53.807 54.000 -0.047 0.000 0.871 127 D CB 1.215 41.971 40.800 -0.073 0.000 1.516 127 D HN 0.366 nan 8.370 nan 0.000 0.544 128 V N 2.798 122.723 119.914 0.018 0.000 2.555 128 V HA 0.739 4.859 4.120 -0.001 0.000 0.302 128 V C -1.331 174.770 176.094 0.013 0.000 1.038 128 V CA -0.810 61.517 62.300 0.044 0.000 0.887 128 V CB 1.735 33.599 31.823 0.068 0.000 0.991 128 V HN 0.364 nan 8.190 nan 0.000 0.434 129 L N 7.971 129.202 121.223 0.014 0.000 2.294 129 L HA 0.588 4.927 4.340 -0.001 0.000 0.283 129 L C -0.507 176.350 176.870 -0.021 0.000 1.015 129 L CA -0.219 54.622 54.840 0.002 0.000 0.831 129 L CB 1.136 43.204 42.059 0.016 0.000 1.217 129 L HN 0.553 nan 8.230 nan 0.000 0.420 130 I N 6.487 127.040 120.570 -0.028 0.000 2.436 130 I HA 0.164 4.333 4.170 -0.001 0.000 0.289 130 I C -0.016 176.084 176.117 -0.029 0.000 1.083 130 I CA -0.249 61.028 61.300 -0.038 0.000 1.372 130 I CB 0.922 38.901 38.000 -0.035 0.000 1.408 130 I HN 0.239 nan 8.210 nan 0.000 0.516 131 V N 7.768 127.665 119.914 -0.029 0.000 2.348 131 V HA 0.356 4.475 4.120 -0.001 0.000 0.270 131 V C 0.570 176.680 176.094 0.025 0.000 1.037 131 V CA -0.753 61.539 62.300 -0.014 0.000 0.872 131 V CB 1.144 32.951 31.823 -0.026 0.000 1.002 131 V HN 0.683 nan 8.190 nan 0.000 0.464 132 R N 3.514 124.036 120.500 0.036 0.000 2.346 132 R HA 0.317 4.657 4.340 -0.001 0.000 0.311 132 R C -0.014 176.359 176.300 0.121 0.000 0.983 132 R CA -0.600 55.541 56.100 0.068 0.000 0.880 132 R CB 1.033 31.369 30.300 0.060 0.000 1.100 132 R HN 0.696 nan 8.270 nan 0.000 0.453 133 E N 4.133 124.436 120.200 0.171 0.000 2.344 133 E HA -0.021 4.328 4.350 -0.001 0.000 0.270 133 E C -0.216 176.539 176.600 0.258 0.000 1.021 133 E CA 0.093 56.643 56.400 0.249 0.000 0.887 133 E CB 1.268 31.153 29.700 0.309 0.000 0.997 133 E HN 0.525 nan 8.360 nan 0.000 0.429 134 L N 3.868 125.251 121.223 0.266 0.000 2.672 134 L HA 0.054 4.394 4.340 -0.001 0.000 0.236 134 L C 1.710 178.769 176.870 0.314 0.000 1.092 134 L CA 1.018 56.012 54.840 0.256 0.000 0.887 134 L CB 0.286 42.434 42.059 0.148 0.000 1.168 134 L HN 0.648 nan 8.230 nan 0.000 0.502 135 T N -4.490 110.212 114.554 0.248 0.000 3.003 135 T HA 0.505 4.854 4.350 -0.001 0.000 0.261 135 T C 0.815 175.529 174.700 0.022 0.000 1.003 135 T CA 0.282 62.384 62.100 0.003 0.000 0.917 135 T CB 0.450 69.298 68.868 -0.034 0.000 1.084 135 T HN 0.162 nan 8.240 nan 0.000 0.522 136 G N -0.157 108.818 108.800 0.293 0.000 3.212 136 G HA2 0.667 4.627 3.960 -0.001 0.000 0.188 136 G HA3 0.667 4.627 3.960 -0.001 0.000 0.188 136 G C 0.394 175.323 174.900 0.048 0.000 1.254 136 G CA -0.270 44.945 45.100 0.192 0.000 0.957 136 G HN 0.987 nan 8.290 nan 0.000 0.596 137 G N -1.069 107.357 108.800 -0.623 0.000 2.698 137 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.233 137 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.233 137 G C 1.040 175.715 174.900 -0.374 0.000 1.352 137 G CA 0.277 44.936 45.100 -0.736 0.000 0.879 137 G HN 1.353 nan 8.290 nan 0.000 0.567 138 I N -0.468 119.867 120.570 -0.392 0.000 2.567 138 I HA -0.073 4.097 4.170 -0.001 0.000 0.257 138 I C 2.363 178.371 176.117 -0.181 0.000 1.184 138 I CA 1.527 62.664 61.300 -0.272 0.000 1.451 138 I CB -0.157 37.688 38.000 -0.259 0.000 1.089 138 I HN 0.541 nan 8.210 nan 0.000 0.441 139 Y N -0.051 120.090 120.300 -0.265 0.000 2.421 139 Y HA -0.129 4.421 4.550 -0.001 0.000 0.292 139 Y C 1.473 176.943 175.900 -0.717 0.000 1.136 139 Y CA 1.053 58.845 58.100 -0.513 0.000 1.255 139 Y CB -0.625 37.427 38.460 -0.680 0.000 0.991 139 Y HN 0.208 nan 8.280 nan 0.000 0.552 140 F N -1.658 118.327 119.950 0.057 0.000 2.746 140 F HA 0.422 4.948 4.527 -0.001 0.000 0.320 140 F C 1.499 177.281 175.800 -0.030 0.000 1.097 140 F CA -0.729 57.279 58.000 0.012 0.000 1.195 140 F CB -0.197 38.812 39.000 0.015 0.000 1.056 140 F HN -0.217 nan 8.300 nan 0.000 0.562 141 G N 0.974 109.807 108.800 0.054 0.000 2.442 141 G HA2 0.414 4.373 3.960 -0.001 0.000 0.249 141 G HA3 0.414 4.373 3.960 -0.001 0.000 0.249 141 G C -0.380 174.535 174.900 0.023 0.000 1.263 141 G CA -0.087 45.017 45.100 0.005 0.000 0.846 141 G HN 0.216 nan 8.290 nan 0.000 0.555 142 E N 1.232 121.450 120.200 0.030 0.000 2.277 142 E HA 0.371 4.720 4.350 -0.001 0.000 0.266 142 E C -2.128 174.508 176.600 0.061 0.000 0.901 142 E CA -1.581 54.850 56.400 0.052 0.000 0.782 142 E CB 2.446 32.177 29.700 0.051 0.000 1.228 142 E HN 0.376 nan 8.360 nan 0.000 0.424 143 P HA 0.218 nan 4.420 nan 0.000 0.274 143 P C -1.104 176.328 177.300 0.220 0.000 1.246 143 P CA -0.357 62.853 63.100 0.182 0.000 0.795 143 P CB 0.809 32.657 31.700 0.247 0.000 1.006 144 R N -0.944 119.626 120.500 0.117 0.000 2.707 144 R HA 0.863 5.203 4.340 -0.001 0.000 0.272 144 R C -0.722 175.284 176.300 -0.490 0.000 1.011 144 R CA -0.901 55.083 56.100 -0.194 0.000 0.893 144 R CB 1.395 31.608 30.300 -0.146 0.000 1.233 144 R HN 0.736 nan 8.270 nan 0.000 0.464 145 G N 0.729 108.840 108.800 -1.148 0.000 2.315 145 G HA2 0.419 4.378 3.960 -0.001 0.000 0.294 145 G HA3 0.419 4.378 3.960 -0.001 0.000 0.294 145 G C -1.855 172.075 174.900 -1.617 0.000 1.300 145 G CA -0.562 43.793 45.100 -1.242 0.000 0.843 145 G HN 0.763 nan 8.290 nan 0.000 0.527 146 M N 1.063 120.055 119.600 -1.014 0.000 2.296 146 M HA 0.552 5.031 4.480 -0.001 0.000 0.268 146 M C -0.449 175.762 176.300 -0.149 0.000 1.048 146 M CA -0.455 54.557 55.300 -0.480 0.000 0.966 146 M CB 1.660 34.083 32.600 -0.295 0.000 1.912 146 M HN 1.264 nan 8.290 nan 0.000 0.484 147 S N 1.921 117.661 115.700 0.067 0.000 2.713 147 S HA 0.465 4.934 4.470 -0.001 0.000 0.296 147 S C 0.502 175.140 174.600 0.062 0.000 1.114 147 S CA -0.616 57.649 58.200 0.108 0.000 0.997 147 S CB 1.212 64.530 63.200 0.196 0.000 1.249 147 S HN 0.816 nan 8.310 nan 0.000 0.534 148 E N -0.143 120.091 120.200 0.057 0.000 2.482 148 E HA 0.082 4.432 4.350 -0.001 0.000 0.196 148 E C 1.363 177.991 176.600 0.047 0.000 1.047 148 E CA 0.660 57.083 56.400 0.039 0.000 0.869 148 E CB -0.067 29.651 29.700 0.030 0.000 0.836 148 E HN 0.686 nan 8.360 nan 0.000 0.520 149 A N 0.667 123.531 122.820 0.073 0.000 2.192 149 A HA 0.125 4.445 4.320 -0.001 0.000 0.208 149 A C 0.566 178.204 177.584 0.089 0.000 1.220 149 A CA 0.411 52.489 52.037 0.069 0.000 0.900 149 A CB 0.401 19.438 19.000 0.062 0.000 0.937 149 A HN 0.307 nan 8.150 nan 0.000 0.487 150 E N -2.772 117.512 120.200 0.139 0.000 2.388 150 E HA 0.650 4.999 4.350 -0.001 0.000 0.269 150 E C -1.043 175.710 176.600 0.254 0.000 1.172 150 E CA -0.645 55.866 56.400 0.185 0.000 0.887 150 E CB 0.553 30.374 29.700 0.202 0.000 1.544 150 E HN 0.877 nan 8.360 nan 0.000 0.451 151 A N -0.060 122.942 122.820 0.303 0.000 2.605 151 A HA 0.726 5.046 4.320 -0.001 0.000 0.294 151 A C -2.239 175.532 177.584 0.312 0.000 1.062 151 A CA -0.452 51.693 52.037 0.180 0.000 0.682 151 A CB 0.817 19.777 19.000 -0.067 0.000 1.278 151 A HN 0.872 nan 8.150 nan 0.000 0.410 152 W N 0.496 121.790 121.300 -0.010 0.000 3.167 152 W HA 0.811 5.470 4.660 -0.001 0.000 0.324 152 W C -1.162 175.347 176.519 -0.017 0.000 1.230 152 W CA -0.687 56.650 57.345 -0.013 0.000 1.184 152 W CB 1.039 30.490 29.460 -0.014 0.000 1.414 152 W HN 0.695 nan 8.180 nan 0.000 0.551 153 N N 0.170 118.950 118.700 0.133 0.000 2.396 153 N HA 0.636 5.375 4.740 -0.001 0.000 0.275 153 N C -1.648 173.902 175.510 0.066 0.000 1.218 153 N CA -0.867 52.206 53.050 0.038 0.000 0.812 153 N CB 2.672 41.147 38.487 -0.020 0.000 1.592 153 N HN 0.436 nan 8.380 nan 0.000 0.480 154 T N 0.566 115.138 114.554 0.029 0.000 2.786 154 T HA 0.258 4.608 4.350 -0.001 0.000 0.283 154 T C -0.726 173.931 174.700 -0.071 0.000 0.992 154 T CA -0.384 61.718 62.100 0.003 0.000 0.954 154 T CB 1.068 69.949 68.868 0.023 0.000 0.934 154 T HN 0.415 nan 8.240 nan 0.000 0.440 155 E N 3.260 123.405 120.200 -0.091 0.000 2.052 155 E HA 0.287 4.637 4.350 -0.001 0.000 0.283 155 E C -0.115 176.395 176.600 -0.151 0.000 1.071 155 E CA -0.465 55.836 56.400 -0.165 0.000 0.851 155 E CB 0.388 30.002 29.700 -0.144 0.000 1.066 155 E HN 0.470 nan 8.360 nan 0.000 0.396 156 R N 4.472 124.828 120.500 -0.240 0.000 2.532 156 R HA 0.360 4.699 4.340 -0.001 0.000 0.297 156 R C -1.655 174.468 176.300 -0.294 0.000 0.984 156 R CA -0.614 55.375 56.100 -0.184 0.000 0.884 156 R CB 0.683 30.909 30.300 -0.123 0.000 1.182 156 R HN 0.449 nan 8.270 nan 0.000 0.442 157 Y N 1.326 121.647 120.300 0.034 0.000 2.462 157 Y HA 0.360 4.909 4.550 -0.001 0.000 0.346 157 Y C 0.078 176.027 175.900 0.082 0.000 0.976 157 Y CA -0.385 57.789 58.100 0.122 0.000 1.044 157 Y CB 2.575 41.215 38.460 0.300 0.000 1.230 157 Y HN 0.717 nan 8.280 nan 0.000 0.455 158 S N 1.465 117.349 115.700 0.307 0.000 2.681 158 S HA 0.405 4.874 4.470 -0.001 0.000 0.299 158 S C 0.964 175.776 174.600 0.354 0.000 1.113 158 S CA -0.915 57.433 58.200 0.246 0.000 1.013 158 S CB 2.030 65.300 63.200 0.118 0.000 1.076 158 S HN 0.787 nan 8.310 nan 0.000 0.534 159 K N 0.990 121.612 120.400 0.369 0.000 2.034 159 K HA -0.076 4.243 4.320 -0.001 0.000 0.214 159 K C -1.019 175.584 176.600 0.005 0.000 1.051 159 K CA 2.004 58.381 56.287 0.150 0.000 0.931 159 K CB -1.303 31.262 32.500 0.109 0.000 0.715 159 K HN 0.492 nan 8.250 nan 0.000 0.446 160 P HA -0.139 nan 4.420 nan 0.000 0.219 160 P C 0.237 177.471 177.300 -0.110 0.000 1.146 160 P CA 1.336 64.400 63.100 -0.060 0.000 0.808 160 P CB 0.075 31.748 31.700 -0.046 0.000 0.779 161 E N -0.947 119.232 120.200 -0.035 0.000 2.158 161 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 161 E C 1.806 178.319 176.600 -0.146 0.000 0.982 161 E CA 0.720 57.099 56.400 -0.035 0.000 0.823 161 E CB -0.269 29.556 29.700 0.209 0.000 0.766 161 E HN 0.080 nan 8.360 nan 0.000 0.468 162 V N 1.315 121.098 119.914 -0.218 0.000 2.346 162 V HA -0.176 3.943 4.120 -0.001 0.000 0.244 162 V C 2.002 177.834 176.094 -0.436 0.000 1.037 162 V CA 1.476 63.447 62.300 -0.548 0.000 1.029 162 V CB -0.371 31.023 31.823 -0.715 0.000 0.663 162 V HN 0.183 nan 8.190 nan 0.000 0.454 163 E N 0.912 120.939 120.200 -0.288 0.000 2.058 163 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 163 E C 2.385 178.896 176.600 -0.147 0.000 0.997 163 E CA 1.830 58.113 56.400 -0.194 0.000 0.801 163 E CB -0.263 29.352 29.700 -0.142 0.000 0.746 163 E HN 0.673 nan 8.360 nan 0.000 0.450 164 R N 0.703 121.075 120.500 -0.213 0.000 2.092 164 R HA -0.056 4.284 4.340 -0.001 0.000 0.231 164 R C 2.300 178.553 176.300 -0.079 0.000 1.119 164 R CA 1.260 57.221 56.100 -0.233 0.000 0.970 164 R CB -0.743 29.178 30.300 -0.632 0.000 0.864 164 R HN 0.053 nan 8.270 nan 0.000 0.440 165 V N 1.282 121.135 119.914 -0.100 0.000 2.488 165 V HA -0.039 4.080 4.120 -0.001 0.000 0.246 165 V C 2.492 178.593 176.094 0.012 0.000 1.046 165 V CA 1.583 63.926 62.300 0.072 0.000 1.053 165 V CB -0.212 31.684 31.823 0.122 0.000 0.679 165 V HN 0.508 nan 8.190 nan 0.000 0.458 166 A N 0.365 123.133 122.820 -0.087 0.000 1.903 166 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 166 A C 2.315 179.950 177.584 0.085 0.000 1.191 166 A CA 2.388 54.399 52.037 -0.043 0.000 0.638 166 A CB -0.688 18.302 19.000 -0.017 0.000 0.823 166 A HN 0.582 nan 8.150 nan 0.000 0.451 167 R N -0.957 119.616 120.500 0.122 0.000 2.081 167 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 167 R C 2.128 178.479 176.300 0.084 0.000 1.131 167 R CA 1.387 57.576 56.100 0.147 0.000 0.960 167 R CB -0.741 29.665 30.300 0.176 0.000 0.856 167 R HN 0.419 nan 8.270 nan 0.000 0.436 168 V N 1.385 121.359 119.914 0.100 0.000 2.252 168 V HA -0.335 3.785 4.120 -0.001 0.000 0.249 168 V C 2.560 178.647 176.094 -0.012 0.000 1.056 168 V CA 2.153 64.495 62.300 0.070 0.000 1.022 168 V CB -0.884 30.994 31.823 0.092 0.000 0.641 168 V HN 0.440 nan 8.190 nan 0.000 0.445 169 A N -0.567 122.205 122.820 -0.079 0.000 1.873 169 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 169 A C 2.043 179.452 177.584 -0.292 0.000 1.193 169 A CA 2.298 54.212 52.037 -0.205 0.000 0.629 169 A CB -0.850 17.961 19.000 -0.314 0.000 0.826 169 A HN 0.473 nan 8.150 nan 0.000 0.447 170 F N 0.525 120.313 119.950 -0.270 0.000 2.171 170 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 170 F C 2.583 178.177 175.800 -0.343 0.000 1.090 170 F CA 1.695 59.413 58.000 -0.469 0.000 1.293 170 F CB -0.203 38.133 39.000 -1.108 0.000 1.013 170 F HN 0.298 nan 8.300 nan 0.000 0.486 171 E N -0.057 120.111 120.200 -0.053 0.000 2.152 171 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 171 E C 2.465 179.106 176.600 0.068 0.000 0.983 171 E CA 0.972 57.405 56.400 0.055 0.000 0.818 171 E CB -0.561 29.205 29.700 0.110 0.000 0.758 171 E HN 0.365 nan 8.360 nan 0.000 0.467 172 A N 2.120 124.970 122.820 0.051 0.000 1.883 172 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 172 A C 2.510 180.126 177.584 0.053 0.000 1.186 172 A CA 2.004 54.093 52.037 0.086 0.000 0.624 172 A CB -0.680 18.356 19.000 0.059 0.000 0.822 172 A HN 0.273 nan 8.150 nan 0.000 0.444 173 A N -0.320 122.502 122.820 0.003 0.000 1.948 173 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 173 A C 2.231 179.849 177.584 0.056 0.000 1.177 173 A CA 1.654 53.700 52.037 0.015 0.000 0.636 173 A CB -0.517 18.466 19.000 -0.029 0.000 0.815 173 A HN 0.566 nan 8.150 nan 0.000 0.449 174 R N -0.436 120.107 120.500 0.071 0.000 2.096 174 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 174 R C 1.796 178.137 176.300 0.068 0.000 1.127 174 R CA 1.574 57.726 56.100 0.087 0.000 0.968 174 R CB -0.237 30.130 30.300 0.111 0.000 0.861 174 R HN 0.505 nan 8.270 nan 0.000 0.440 175 K N -0.225 120.212 120.400 0.061 0.000 2.486 175 K HA -0.032 4.288 4.320 -0.001 0.000 0.194 175 K C 1.304 177.929 176.600 0.041 0.000 1.033 175 K CA 0.712 57.026 56.287 0.045 0.000 1.004 175 K CB 0.301 32.822 32.500 0.035 0.000 0.798 175 K HN 0.114 nan 8.250 nan 0.000 0.495 176 R N -0.593 119.935 120.500 0.047 0.000 2.091 176 R HA 0.306 4.645 4.340 -0.001 0.000 0.121 176 R C 1.183 177.509 176.300 0.043 0.000 1.812 176 R CA -0.443 55.682 56.100 0.042 0.000 1.565 176 R CB 0.151 30.478 30.300 0.045 0.000 1.305 176 R HN -0.176 nan 8.270 nan 0.000 0.467 177 R N 0.759 121.289 120.500 0.050 0.000 2.437 177 R HA 0.243 4.582 4.340 -0.001 0.000 0.257 177 R C -0.553 175.794 176.300 0.077 0.000 0.927 177 R CA 0.037 56.166 56.100 0.048 0.000 1.078 177 R CB 0.566 30.883 30.300 0.028 0.000 1.161 177 R HN 0.292 nan 8.270 nan 0.000 0.529 178 K N 0.952 121.406 120.400 0.090 0.000 3.161 178 K HA -0.205 4.114 4.320 -0.001 0.000 0.270 178 K C -0.968 175.726 176.600 0.156 0.000 1.115 178 K CA 0.650 57.002 56.287 0.108 0.000 0.789 178 K CB -1.685 30.872 32.500 0.095 0.000 1.256 178 K HN 0.384 nan 8.250 nan 0.000 0.492 179 H N -0.455 118.626 119.070 0.018 0.000 3.017 179 H HA 0.380 4.935 4.556 -0.001 0.000 0.340 179 H C -1.437 173.876 175.328 -0.027 0.000 1.014 179 H CA -0.592 55.460 56.048 0.006 0.000 1.341 179 H CB 1.396 31.158 29.762 -0.001 0.000 1.739 179 H HN -0.022 nan 8.280 nan 0.000 0.506 180 V N 5.674 125.346 119.914 -0.403 0.000 2.555 180 V HA 0.317 4.436 4.120 -0.001 0.000 0.302 180 V C -0.180 175.641 176.094 -0.456 0.000 1.038 180 V CA -0.751 61.315 62.300 -0.392 0.000 0.887 180 V CB 1.964 33.446 31.823 -0.569 0.000 0.991 180 V HN 0.498 nan 8.190 nan 0.000 0.434 181 V N 3.477 123.242 119.914 -0.247 0.000 2.409 181 V HA 0.448 4.568 4.120 -0.001 0.000 0.291 181 V C 0.117 176.150 176.094 -0.102 0.000 1.020 181 V CA -0.284 61.924 62.300 -0.152 0.000 0.848 181 V CB 1.873 33.739 31.823 0.070 0.000 0.990 181 V HN 0.867 nan 8.190 nan 0.000 0.430 182 S N 4.938 120.602 115.700 -0.061 0.000 2.429 182 S HA 0.645 5.114 4.470 -0.001 0.000 0.302 182 S C -0.645 174.054 174.600 0.165 0.000 1.115 182 S CA -0.459 57.821 58.200 0.133 0.000 1.095 182 S CB 1.071 64.453 63.200 0.304 0.000 0.987 182 S HN 0.469 nan 8.310 nan 0.000 0.474 183 V N 5.831 125.786 119.914 0.068 0.000 2.427 183 V HA 0.555 4.674 4.120 -0.001 0.000 0.286 183 V C -0.311 175.730 176.094 -0.088 0.000 1.034 183 V CA -0.547 61.744 62.300 -0.016 0.000 0.893 183 V CB 1.416 33.196 31.823 -0.073 0.000 0.982 183 V HN 1.030 nan 8.190 nan 0.000 0.452 184 D N 3.573 123.973 120.400 0.000 0.000 2.867 184 D HA 0.504 5.143 4.640 -0.001 0.000 0.308 184 D C -0.579 175.825 176.300 0.174 0.000 1.202 184 D CA -0.926 53.125 54.000 0.085 0.000 1.035 184 D CB 1.328 42.197 40.800 0.114 0.000 1.427 184 D HN 0.263 nan 8.370 nan 0.000 0.570 185 K N -0.790 119.779 120.400 0.282 0.000 3.271 185 K HA 0.653 4.973 4.320 -0.001 0.000 0.192 185 K C 0.254 176.974 176.600 0.200 0.000 1.108 185 K CA -0.111 56.298 56.287 0.203 0.000 0.902 185 K CB 0.230 32.824 32.500 0.156 0.000 0.889 185 K HN 0.472 nan 8.250 nan 0.000 0.520 186 A N 0.964 123.973 122.820 0.316 0.000 1.969 186 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 186 A C 1.458 179.138 177.584 0.160 0.000 1.169 186 A CA 1.627 53.822 52.037 0.262 0.000 0.635 186 A CB -0.590 18.584 19.000 0.290 0.000 0.810 186 A HN 0.705 nan 8.150 nan 0.000 0.445 187 N N -0.167 118.541 118.700 0.014 0.000 2.571 187 N HA -0.005 4.734 4.740 -0.001 0.000 0.189 187 N C 0.651 176.084 175.510 -0.128 0.000 1.154 187 N CA 1.539 54.494 53.050 -0.159 0.000 0.907 187 N CB 0.015 38.161 38.487 -0.569 0.000 0.977 187 N HN 0.316 nan 8.380 nan 0.000 0.449 188 V N -1.434 118.440 119.914 -0.067 0.000 3.245 188 V HA 0.287 4.407 4.120 -0.001 0.000 0.246 188 V C 0.378 176.486 176.094 0.023 0.000 1.487 188 V CA -0.075 62.206 62.300 -0.031 0.000 1.154 188 V CB 0.316 32.111 31.823 -0.048 0.000 0.971 188 V HN 0.040 nan 8.190 nan 0.000 0.443 189 L N 0.362 121.623 121.223 0.063 0.000 2.346 189 L HA 0.541 4.880 4.340 -0.001 0.000 0.276 189 L C 1.148 178.085 176.870 0.112 0.000 1.006 189 L CA -0.544 54.347 54.840 0.085 0.000 0.817 189 L CB 2.009 44.133 42.059 0.107 0.000 1.272 189 L HN -0.043 nan 8.230 nan 0.000 0.421 190 E N 1.407 121.663 120.200 0.094 0.000 2.114 190 E HA -0.199 4.151 4.350 -0.001 0.000 0.199 190 E C 1.861 178.566 176.600 0.175 0.000 1.008 190 E CA 1.177 57.643 56.400 0.111 0.000 0.810 190 E CB -0.074 29.661 29.700 0.059 0.000 0.739 190 E HN 0.505 nan 8.360 nan 0.000 0.456 191 V N 0.282 120.293 119.914 0.162 0.000 2.295 191 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 191 V C 2.199 178.507 176.094 0.356 0.000 1.049 191 V CA 2.129 64.576 62.300 0.245 0.000 1.024 191 V CB -0.975 30.956 31.823 0.181 0.000 0.648 191 V HN 0.489 nan 8.190 nan 0.000 0.447 192 G N -1.264 107.701 108.800 0.275 0.000 2.418 192 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.217 192 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.217 192 G C 1.534 176.615 174.900 0.302 0.000 1.158 192 G CA 0.940 46.215 45.100 0.291 0.000 0.771 192 G HN 0.564 nan 8.290 nan 0.000 0.545 193 E N -0.652 119.698 120.200 0.251 0.000 2.077 193 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 193 E C 2.044 178.782 176.600 0.230 0.000 0.989 193 E CA 0.617 57.139 56.400 0.204 0.000 0.800 193 E CB -0.231 29.569 29.700 0.167 0.000 0.746 193 E HN 0.397 nan 8.360 nan 0.000 0.452 194 F N 0.708 120.741 119.950 0.139 0.000 2.134 194 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 194 F C 2.071 177.947 175.800 0.127 0.000 1.097 194 F CA 1.588 59.658 58.000 0.117 0.000 1.264 194 F CB -0.386 38.691 39.000 0.128 0.000 1.001 194 F HN 0.240 nan 8.300 nan 0.000 0.479 195 W N 1.876 123.229 121.300 0.089 0.000 2.335 195 W HA -0.260 4.400 4.660 -0.001 0.000 0.311 195 W C 2.535 179.004 176.519 -0.082 0.000 1.213 195 W CA 2.349 59.680 57.345 -0.024 0.000 1.274 195 W CB -0.695 28.792 29.460 0.045 0.000 1.148 195 W HN 0.109 nan 8.180 nan 0.000 0.498 196 R N 0.937 121.543 120.500 0.176 0.000 2.055 196 R HA -0.176 4.164 4.340 -0.001 0.000 0.228 196 R C 2.500 178.731 176.300 -0.115 0.000 1.143 196 R CA 1.981 58.082 56.100 0.002 0.000 0.945 196 R CB -0.767 29.465 30.300 -0.112 0.000 0.841 196 R HN -0.039 nan 8.270 nan 0.000 0.429 197 K N -0.296 120.037 120.400 -0.112 0.000 2.052 197 K HA -0.197 4.122 4.320 -0.001 0.000 0.215 197 K C 1.769 178.254 176.600 -0.193 0.000 1.053 197 K CA 2.645 58.852 56.287 -0.135 0.000 0.934 197 K CB -0.300 32.123 32.500 -0.128 0.000 0.717 197 K HN 0.241 nan 8.250 nan 0.000 0.450 198 T N 0.255 114.609 114.554 -0.333 0.000 2.746 198 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 198 T C 1.894 176.439 174.700 -0.259 0.000 1.039 198 T CA 1.456 63.325 62.100 -0.385 0.000 1.142 198 T CB -0.183 68.314 68.868 -0.619 0.000 0.866 198 T HN 0.041 nan 8.240 nan 0.000 0.444 199 V N 1.538 121.311 119.914 -0.235 0.000 2.307 199 V HA -0.115 4.005 4.120 -0.001 0.000 0.245 199 V C 2.735 178.886 176.094 0.095 0.000 1.045 199 V CA 1.390 63.660 62.300 -0.050 0.000 1.024 199 V CB -0.551 31.280 31.823 0.015 0.000 0.651 199 V HN 0.353 nan 8.190 nan 0.000 0.449 200 E N 0.157 120.419 120.200 0.105 0.000 2.114 200 E HA -0.306 4.043 4.350 -0.001 0.000 0.199 200 E C 2.229 178.834 176.600 0.008 0.000 1.008 200 E CA 2.015 58.477 56.400 0.104 0.000 0.810 200 E CB -0.192 29.546 29.700 0.064 0.000 0.739 200 E HN 0.773 nan 8.360 nan 0.000 0.456 201 E N 0.066 120.238 120.200 -0.047 0.000 2.072 201 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 201 E C 2.170 178.718 176.600 -0.086 0.000 0.985 201 E CA 0.957 57.312 56.400 -0.074 0.000 0.801 201 E CB 0.173 29.812 29.700 -0.101 0.000 0.750 201 E HN 0.012 nan 8.360 nan 0.000 0.452 202 V N 0.492 120.357 119.914 -0.081 0.000 2.427 202 V HA -0.165 3.954 4.120 -0.001 0.000 0.248 202 V C 2.316 178.297 176.094 -0.189 0.000 1.051 202 V CA 1.868 64.123 62.300 -0.075 0.000 1.048 202 V CB -0.620 31.206 31.823 0.004 0.000 0.666 202 V HN 0.516 nan 8.190 nan 0.000 0.456 203 G N -0.498 108.122 108.800 -0.300 0.000 2.443 203 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.219 203 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.219 203 G C 1.689 176.434 174.900 -0.258 0.000 1.131 203 G CA 0.317 45.074 45.100 -0.572 0.000 0.775 203 G HN 0.418 nan 8.290 nan 0.000 0.547 204 R N 0.144 120.555 120.500 -0.149 0.000 2.152 204 R HA -0.056 4.283 4.340 -0.001 0.000 0.232 204 R C 2.735 178.936 176.300 -0.164 0.000 1.117 204 R CA 0.818 56.848 56.100 -0.116 0.000 0.981 204 R CB -0.375 29.876 30.300 -0.082 0.000 0.870 204 R HN 0.354 nan 8.270 nan 0.000 0.451 205 G N -0.323 108.336 108.800 -0.235 0.000 2.509 205 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 205 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 205 G C 0.068 174.592 174.900 -0.628 0.000 1.124 205 G CA 0.351 45.203 45.100 -0.413 0.000 0.776 205 G HN 0.265 nan 8.290 nan 0.000 0.547 206 Y N 0.348 120.477 120.300 -0.284 0.000 2.837 206 Y HA 0.312 4.862 4.550 -0.001 0.000 0.356 206 Y C -1.545 174.264 175.900 -0.151 0.000 1.035 206 Y CA -2.425 55.540 58.100 -0.225 0.000 1.165 206 Y CB 1.881 40.136 38.460 -0.343 0.000 1.147 206 Y HN 0.009 nan 8.280 nan 0.000 0.628 207 P HA -0.120 nan 4.420 nan 0.000 0.226 207 P C 0.595 177.918 177.300 0.038 0.000 1.153 207 P CA 1.229 64.328 63.100 -0.001 0.000 0.777 207 P CB 0.401 32.086 31.700 -0.025 0.000 0.794 208 D N -0.436 120.003 120.400 0.066 0.000 2.319 208 D HA 0.032 4.672 4.640 -0.001 0.000 0.230 208 D C 0.066 176.430 176.300 0.106 0.000 1.094 208 D CA -0.159 53.887 54.000 0.076 0.000 0.856 208 D CB -0.129 40.715 40.800 0.074 0.000 0.915 208 D HN 0.005 nan 8.370 nan 0.000 0.517 209 V N 0.933 120.926 119.914 0.132 0.000 2.487 209 V HA 0.575 4.694 4.120 -0.001 0.000 0.298 209 V C 0.259 176.436 176.094 0.138 0.000 1.028 209 V CA -1.405 60.993 62.300 0.162 0.000 0.860 209 V CB 1.467 33.453 31.823 0.271 0.000 0.991 209 V HN 0.283 nan 8.190 nan 0.000 0.427 210 A N 4.999 127.888 122.820 0.114 0.000 2.454 210 A HA 0.620 4.939 4.320 -0.001 0.000 0.260 210 A C -0.673 176.879 177.584 -0.054 0.000 1.106 210 A CA 0.025 52.110 52.037 0.079 0.000 0.780 210 A CB 0.178 19.300 19.000 0.203 0.000 1.044 210 A HN 0.829 nan 8.150 nan 0.000 0.498 211 L N 2.101 123.295 121.223 -0.049 0.000 2.322 211 L HA 0.684 5.023 4.340 -0.001 0.000 0.281 211 L C -0.211 176.498 176.870 -0.268 0.000 1.014 211 L CA -0.006 54.747 54.840 -0.146 0.000 0.815 211 L CB 1.505 43.572 42.059 0.014 0.000 1.247 211 L HN 0.840 nan 8.230 nan 0.000 0.421 212 E N 2.779 122.729 120.200 -0.416 0.000 2.367 212 E HA 0.449 4.798 4.350 -0.001 0.000 0.273 212 E C -1.581 174.732 176.600 -0.478 0.000 0.903 212 E CA -0.759 55.432 56.400 -0.348 0.000 0.764 212 E CB 1.315 30.929 29.700 -0.145 0.000 1.252 212 E HN 0.675 nan 8.360 nan 0.000 0.446 213 H N 1.897 120.950 119.070 -0.029 0.000 2.538 213 H HA 0.373 4.929 4.556 -0.001 0.000 0.353 213 H C -0.648 174.607 175.328 -0.122 0.000 1.109 213 H CA -0.848 55.168 56.048 -0.053 0.000 1.192 213 H CB 1.784 31.511 29.762 -0.057 0.000 1.555 213 H HN 0.369 nan 8.280 nan 0.000 0.518 214 Q N 1.952 121.752 119.800 -0.000 0.000 2.397 214 Q HA 0.270 4.609 4.340 -0.001 0.000 0.275 214 Q C -0.876 175.060 176.000 -0.107 0.000 1.090 214 Q CA -0.930 54.832 55.803 -0.069 0.000 0.809 214 Q CB 2.522 31.309 28.738 0.081 0.000 1.362 214 Q HN 0.491 nan 8.270 nan 0.000 0.431 215 Y N -0.019 120.304 120.300 0.037 0.000 2.304 215 Y HA 0.047 4.597 4.550 -0.001 0.000 0.327 215 Y C 1.540 177.347 175.900 -0.154 0.000 1.209 215 Y CA -0.357 57.711 58.100 -0.054 0.000 1.299 215 Y CB 0.518 38.953 38.460 -0.041 0.000 1.249 215 Y HN 0.486 nan 8.280 nan 0.000 0.519 216 V N 2.447 122.262 119.914 -0.164 0.000 2.392 216 V HA -0.275 3.844 4.120 -0.001 0.000 0.249 216 V C 1.625 177.555 176.094 -0.273 0.000 1.059 216 V CA 2.687 64.742 62.300 -0.408 0.000 1.051 216 V CB -0.364 30.770 31.823 -1.148 0.000 0.658 216 V HN 1.010 nan 8.190 nan 0.000 0.455 217 D N 0.907 121.185 120.400 -0.204 0.000 2.117 217 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 217 D C 2.087 178.309 176.300 -0.130 0.000 0.987 217 D CA 1.693 55.604 54.000 -0.149 0.000 0.829 217 D CB -0.805 39.923 40.800 -0.120 0.000 0.961 217 D HN 0.540 nan 8.370 nan 0.000 0.460 218 A N 0.152 122.919 122.820 -0.089 0.000 2.015 218 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 218 A C 2.218 179.582 177.584 -0.366 0.000 1.163 218 A CA 1.761 53.675 52.037 -0.204 0.000 0.646 218 A CB -0.571 18.409 19.000 -0.033 0.000 0.806 218 A HN 0.215 nan 8.150 nan 0.000 0.448 219 M N 0.080 119.595 119.600 -0.141 0.000 2.156 219 M HA 0.095 4.575 4.480 -0.001 0.000 0.264 219 M C 2.186 178.416 176.300 -0.117 0.000 1.067 219 M CA 1.445 56.709 55.300 -0.061 0.000 1.131 219 M CB -0.767 31.780 32.600 -0.088 0.000 1.368 219 M HN 0.362 nan 8.290 nan 0.000 0.416 220 A N 0.226 122.963 122.820 -0.138 0.000 1.927 220 A HA -0.263 4.057 4.320 -0.001 0.000 0.220 220 A C 2.192 179.719 177.584 -0.095 0.000 1.185 220 A CA 2.472 54.444 52.037 -0.108 0.000 0.639 220 A CB -0.840 18.098 19.000 -0.105 0.000 0.820 220 A HN 0.644 nan 8.150 nan 0.000 0.451 221 M N -1.563 117.944 119.600 -0.155 0.000 2.117 221 M HA -0.129 4.350 4.480 -0.001 0.000 0.262 221 M C 2.104 178.364 176.300 -0.066 0.000 1.065 221 M CA 1.406 56.621 55.300 -0.142 0.000 1.114 221 M CB -0.700 31.772 32.600 -0.213 0.000 1.361 221 M HN 0.470 nan 8.290 nan 0.000 0.408 222 H N 0.378 119.495 119.070 0.079 0.000 2.423 222 H HA 0.014 4.569 4.556 -0.001 0.000 0.297 222 H C 2.085 177.538 175.328 0.209 0.000 1.075 222 H CA 1.203 57.361 56.048 0.182 0.000 1.342 222 H CB -0.490 29.492 29.762 0.366 0.000 1.395 222 H HN 0.388 nan 8.280 nan 0.000 0.530 223 L N 0.233 121.572 121.223 0.193 0.000 2.465 223 L HA -0.063 4.276 4.340 -0.001 0.000 0.224 223 L C 2.028 178.955 176.870 0.094 0.000 1.145 223 L CA 0.192 55.102 54.840 0.117 0.000 0.834 223 L CB 0.152 42.202 42.059 -0.016 0.000 0.944 223 L HN 0.062 nan 8.230 nan 0.000 0.451 224 V N -1.294 118.667 119.914 0.079 0.000 2.922 224 V HA -0.011 4.109 4.120 -0.001 0.000 0.242 224 V C 2.356 178.491 176.094 0.068 0.000 1.094 224 V CA 0.755 63.089 62.300 0.056 0.000 1.106 224 V CB -0.131 31.709 31.823 0.028 0.000 0.799 224 V HN 0.290 nan 8.190 nan 0.000 0.474 225 R N 1.213 121.767 120.500 0.088 0.000 2.093 225 R HA 0.011 4.351 4.340 -0.001 0.000 0.224 225 R C 1.007 177.359 176.300 0.086 0.000 1.101 225 R CA 1.536 57.685 56.100 0.083 0.000 0.979 225 R CB 0.042 30.401 30.300 0.098 0.000 0.877 225 R HN 0.603 nan 8.270 nan 0.000 0.441 226 S N -1.319 114.458 115.700 0.129 0.000 2.612 226 S HA 0.215 4.684 4.470 -0.001 0.000 0.203 226 S C -2.193 172.481 174.600 0.124 0.000 0.965 226 S CA -0.972 57.275 58.200 0.079 0.000 1.157 226 S CB 1.205 64.414 63.200 0.015 0.000 1.526 226 S HN -0.044 nan 8.310 nan 0.000 0.423 227 P HA 0.010 nan 4.420 nan 0.000 0.222 227 P C 1.364 178.798 177.300 0.224 0.000 1.147 227 P CA 1.239 64.526 63.100 0.312 0.000 0.790 227 P CB -0.133 31.673 31.700 0.176 0.000 0.780 228 A N 0.731 123.589 122.820 0.063 0.000 2.239 228 A HA -0.092 4.228 4.320 -0.001 0.000 0.209 228 A C 1.935 179.458 177.584 -0.101 0.000 1.171 228 A CA 0.329 52.366 52.037 -0.001 0.000 0.768 228 A CB -1.060 17.928 19.000 -0.020 0.000 0.790 228 A HN 0.333 nan 8.150 nan 0.000 0.478 229 R N -2.065 118.275 120.500 -0.267 0.000 2.359 229 R HA 0.374 4.713 4.340 -0.001 0.000 0.231 229 R C -0.856 175.097 176.300 -0.579 0.000 0.913 229 R CA -0.273 55.551 56.100 -0.459 0.000 1.075 229 R CB -0.183 29.811 30.300 -0.511 0.000 1.087 229 R HN 0.263 nan 8.270 nan 0.000 0.515 230 F N 0.175 120.097 119.950 -0.046 0.000 2.458 230 F HA 0.330 4.856 4.527 -0.001 0.000 0.330 230 F C 0.841 176.648 175.800 0.011 0.000 1.082 230 F CA -1.275 56.729 58.000 0.008 0.000 0.995 230 F CB 1.677 40.690 39.000 0.021 0.000 1.170 230 F HN -0.157 nan 8.300 nan 0.000 0.478 231 D N 0.442 121.006 120.400 0.274 0.000 3.094 231 D HA 0.190 4.830 4.640 -0.001 0.000 0.267 231 D C -0.697 175.674 176.300 0.117 0.000 1.542 231 D CA 0.835 54.927 54.000 0.153 0.000 1.157 231 D CB 0.429 41.313 40.800 0.140 0.000 1.098 231 D HN 0.110 nan 8.370 nan 0.000 0.340 232 V N 1.394 121.366 119.914 0.097 0.000 2.680 232 V HA 0.586 4.705 4.120 -0.001 0.000 0.309 232 V C -0.433 175.641 176.094 -0.034 0.000 1.052 232 V CA -0.835 61.467 62.300 0.002 0.000 0.908 232 V CB 2.146 33.935 31.823 -0.057 0.000 1.001 232 V HN 0.088 nan 8.190 nan 0.000 0.431 233 V N 4.517 124.391 119.914 -0.067 0.000 2.588 233 V HA 0.631 4.750 4.120 -0.001 0.000 0.304 233 V C -0.513 175.535 176.094 -0.075 0.000 1.042 233 V CA -0.662 61.581 62.300 -0.094 0.000 0.877 233 V CB 2.056 33.794 31.823 -0.141 0.000 0.996 233 V HN 0.613 nan 8.190 nan 0.000 0.425 234 V N 3.932 123.817 119.914 -0.049 0.000 2.823 234 V HA 0.947 5.067 4.120 -0.001 0.000 0.312 234 V C -0.394 175.774 176.094 0.123 0.000 1.072 234 V CA 0.232 62.553 62.300 0.036 0.000 0.937 234 V CB 2.455 34.286 31.823 0.013 0.000 1.013 234 V HN 1.101 nan 8.190 nan 0.000 0.430 235 T N 2.874 117.506 114.554 0.130 0.000 2.770 235 T HA 0.542 4.891 4.350 -0.001 0.000 0.323 235 T C -0.004 174.535 174.700 -0.268 0.000 1.683 235 T CA 0.169 62.180 62.100 -0.148 0.000 1.024 235 T CB 1.083 69.888 68.868 -0.104 0.000 1.557 235 T HN 1.283 nan 8.240 nan 0.000 0.494 236 G N 1.494 109.819 108.800 -0.793 0.000 2.583 236 G HA2 0.211 4.171 3.960 -0.001 0.000 0.275 236 G HA3 0.211 4.171 3.960 -0.001 0.000 0.275 236 G C 0.998 175.817 174.900 -0.136 0.000 1.342 236 G CA 0.093 44.902 45.100 -0.485 0.000 1.030 236 G HN 0.687 nan 8.290 nan 0.000 0.520 237 N N -0.744 117.967 118.700 0.019 0.000 2.047 237 N HA -0.106 4.634 4.740 -0.001 0.000 0.193 237 N C 2.367 177.763 175.510 -0.189 0.000 1.055 237 N CA 1.355 54.397 53.050 -0.013 0.000 0.847 237 N CB -0.475 38.025 38.487 0.021 0.000 1.038 237 N HN 0.463 nan 8.380 nan 0.000 0.427 238 I N 0.091 120.351 120.570 -0.518 0.000 2.194 238 I HA -0.295 3.874 4.170 -0.001 0.000 0.246 238 I C 1.579 177.686 176.117 -0.017 0.000 1.093 238 I CA 1.307 62.359 61.300 -0.414 0.000 1.355 238 I CB -0.135 37.552 38.000 -0.522 0.000 1.046 238 I HN 0.034 nan 8.210 nan 0.000 0.413 239 F N 0.844 120.706 119.950 -0.147 0.000 2.186 239 F HA -0.012 4.514 4.527 -0.001 0.000 0.299 239 F C 2.561 178.305 175.800 -0.093 0.000 1.090 239 F CA 0.938 58.862 58.000 -0.126 0.000 1.307 239 F CB -1.913 36.977 39.000 -0.183 0.000 1.019 239 F HN 0.111 nan 8.300 nan 0.000 0.489 240 G N -0.613 108.244 108.800 0.095 0.000 2.408 240 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 240 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 240 G C 1.506 176.445 174.900 0.065 0.000 1.150 240 G CA 1.006 46.138 45.100 0.055 0.000 0.776 240 G HN 0.268 nan 8.290 nan 0.000 0.542 241 D N 0.930 121.389 120.400 0.098 0.000 2.103 241 D HA -0.121 4.518 4.640 -0.001 0.000 0.190 241 D C 2.546 178.897 176.300 0.084 0.000 0.997 241 D CA 0.896 54.967 54.000 0.119 0.000 0.833 241 D CB -0.299 40.631 40.800 0.218 0.000 0.961 241 D HN 0.346 nan 8.370 nan 0.000 0.447 242 I N 0.153 120.776 120.570 0.089 0.000 2.179 242 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 242 I C 2.540 178.670 176.117 0.021 0.000 1.088 242 I CA 0.722 62.055 61.300 0.055 0.000 1.357 242 I CB -0.188 37.846 38.000 0.056 0.000 1.051 242 I HN 0.066 nan 8.210 nan 0.000 0.409 243 L N 0.111 121.340 121.223 0.011 0.000 2.093 243 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 243 L C 2.769 179.624 176.870 -0.025 0.000 1.085 243 L CA 1.586 56.409 54.840 -0.028 0.000 0.755 243 L CB -0.782 41.243 42.059 -0.056 0.000 0.904 243 L HN 0.381 nan 8.230 nan 0.000 0.435 244 S N -1.118 114.579 115.700 -0.005 0.000 2.406 244 S HA -0.147 4.323 4.470 -0.001 0.000 0.228 244 S C 1.518 176.121 174.600 0.005 0.000 1.020 244 S CA 0.978 59.176 58.200 -0.004 0.000 0.965 244 S CB -0.291 62.912 63.200 0.005 0.000 0.798 244 S HN 0.316 nan 8.310 nan 0.000 0.488 245 D N 1.619 122.028 120.400 0.014 0.000 2.144 245 D HA -0.016 4.623 4.640 -0.001 0.000 0.199 245 D C 1.877 178.183 176.300 0.009 0.000 0.984 245 D CA 0.951 54.960 54.000 0.016 0.000 0.834 245 D CB -0.504 40.309 40.800 0.022 0.000 0.955 245 D HN 0.418 nan 8.370 nan 0.000 0.465 246 L N 0.999 122.223 121.223 0.001 0.000 2.005 246 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 246 L C 2.075 178.943 176.870 -0.004 0.000 1.072 246 L CA 2.060 56.897 54.840 -0.005 0.000 0.744 246 L CB -1.007 41.041 42.059 -0.018 0.000 0.895 246 L HN -0.023 nan 8.230 nan 0.000 0.433 247 A N -0.576 122.236 122.820 -0.013 0.000 1.978 247 A HA -0.237 4.082 4.320 -0.001 0.000 0.220 247 A C 2.513 180.099 177.584 0.005 0.000 1.170 247 A CA 2.118 54.150 52.037 -0.010 0.000 0.636 247 A CB -1.250 17.735 19.000 -0.025 0.000 0.810 247 A HN 0.733 nan 8.150 nan 0.000 0.448 248 S N 0.121 115.827 115.700 0.009 0.000 2.423 248 S HA -0.110 4.359 4.470 -0.001 0.000 0.231 248 S C 1.687 176.302 174.600 0.026 0.000 1.014 248 S CA 1.476 59.688 58.200 0.020 0.000 0.965 248 S CB -1.025 62.189 63.200 0.022 0.000 0.785 248 S HN 1.078 nan 8.310 nan 0.000 0.495 249 V N -0.391 119.536 119.914 0.021 0.000 3.306 249 V HA 0.237 4.356 4.120 -0.001 0.000 0.264 249 V C 2.079 178.188 176.094 0.025 0.000 1.149 249 V CA 0.721 63.035 62.300 0.023 0.000 1.143 249 V CB -1.114 30.720 31.823 0.018 0.000 0.767 249 V HN 0.494 nan 8.190 nan 0.000 0.476 250 L N -0.023 121.214 121.223 0.023 0.000 2.093 250 L HA 0.009 4.348 4.340 -0.001 0.000 0.208 250 L C 0.159 177.047 176.870 0.030 0.000 1.085 250 L CA 1.386 56.241 54.840 0.025 0.000 0.755 250 L CB -1.930 40.142 42.059 0.023 0.000 0.904 250 L HN 0.366 nan 8.230 nan 0.000 0.435 251 P HA -0.090 nan 4.420 nan 0.000 0.216 251 P C 1.059 178.393 177.300 0.056 0.000 1.153 251 P CA 1.956 65.088 63.100 0.053 0.000 0.848 251 P CB 0.088 31.831 31.700 0.071 0.000 0.787 252 G N -2.932 105.895 108.800 0.046 0.000 2.205 252 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.180 252 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.180 252 G C 0.141 175.060 174.900 0.032 0.000 1.004 252 G CA 0.054 45.177 45.100 0.037 0.000 0.670 252 G HN 0.555 nan 8.290 nan 0.000 0.496 253 S N -0.356 115.368 115.700 0.040 0.000 2.626 253 S HA 0.518 4.988 4.470 -0.001 0.000 0.275 253 S C 1.026 175.654 174.600 0.047 0.000 1.175 253 S CA -0.319 57.899 58.200 0.030 0.000 0.982 253 S CB 0.779 63.987 63.200 0.015 0.000 1.093 253 S HN 0.508 nan 8.310 nan 0.000 0.472 254 L N 4.822 126.074 121.223 0.047 0.000 2.064 254 L HA -0.075 4.264 4.340 -0.001 0.000 0.216 254 L C 2.614 179.557 176.870 0.122 0.000 1.077 254 L CA 2.722 57.611 54.840 0.082 0.000 0.766 254 L CB -1.158 40.948 42.059 0.078 0.000 0.890 254 L HN 0.921 nan 8.230 nan 0.000 0.435 255 G N -1.484 107.346 108.800 0.050 0.000 2.501 255 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.220 255 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.220 255 G C 1.513 176.465 174.900 0.087 0.000 1.114 255 G CA 0.633 45.753 45.100 0.034 0.000 0.757 255 G HN 0.444 nan 8.290 nan 0.000 0.559 256 L N -0.475 120.806 121.223 0.097 0.000 2.567 256 L HA 0.344 4.683 4.340 -0.001 0.000 0.225 256 L C 0.242 177.206 176.870 0.157 0.000 1.119 256 L CA -0.119 54.800 54.840 0.132 0.000 0.871 256 L CB 0.038 42.194 42.059 0.163 0.000 1.036 256 L HN 0.064 nan 8.230 nan 0.000 0.459 257 L N 1.195 122.499 121.223 0.134 0.000 2.296 257 L HA 0.497 4.836 4.340 -0.001 0.000 0.286 257 L C -2.516 174.402 176.870 0.080 0.000 1.023 257 L CA -1.784 53.118 54.840 0.104 0.000 0.812 257 L CB 1.246 43.351 42.059 0.077 0.000 1.223 257 L HN -0.243 nan 8.230 nan 0.000 0.421 258 P HA 0.367 nan 4.420 nan 0.000 0.292 258 P C -1.114 176.221 177.300 0.059 0.000 1.300 258 P CA -0.754 62.392 63.100 0.077 0.000 0.900 258 P CB 2.156 33.928 31.700 0.119 0.000 1.139 259 S N 0.353 116.082 115.700 0.048 0.000 2.536 259 S HA 0.829 5.298 4.470 -0.001 0.000 0.298 259 S C -1.319 173.285 174.600 0.006 0.000 1.083 259 S CA -0.590 57.615 58.200 0.009 0.000 0.995 259 S CB 0.575 63.755 63.200 -0.032 0.000 1.058 259 S HN 0.569 nan 8.310 nan 0.000 0.488 260 A N 2.479 125.250 122.820 -0.082 0.000 2.393 260 A HA 0.778 5.097 4.320 -0.001 0.000 0.306 260 A C -0.897 176.483 177.584 -0.340 0.000 1.050 260 A CA -0.614 51.260 52.037 -0.273 0.000 0.724 260 A CB 1.647 20.551 19.000 -0.160 0.000 1.248 260 A HN 0.679 nan 8.150 nan 0.000 0.424 261 S N 1.795 117.206 115.700 -0.482 0.000 2.659 261 S HA 0.683 5.153 4.470 -0.001 0.000 0.312 261 S C -0.642 173.681 174.600 -0.461 0.000 1.114 261 S CA -0.391 57.580 58.200 -0.381 0.000 1.063 261 S CB 0.633 63.664 63.200 -0.281 0.000 0.996 261 S HN 0.589 nan 8.310 nan 0.000 0.478 262 L N 1.967 122.922 121.223 -0.447 0.000 2.323 262 L HA 1.017 5.356 4.340 -0.001 0.000 0.265 262 L C 0.706 177.157 176.870 -0.698 0.000 1.012 262 L CA -0.729 53.827 54.840 -0.472 0.000 0.820 262 L CB 1.996 43.818 42.059 -0.395 0.000 1.334 262 L HN 0.842 nan 8.230 nan 0.000 0.427 263 G N 0.193 108.642 108.800 -0.586 0.000 2.539 263 G HA2 0.065 4.025 3.960 -0.001 0.000 0.138 263 G HA3 0.065 4.025 3.960 -0.001 0.000 0.138 263 G C -0.072 174.736 174.900 -0.154 0.000 1.148 263 G CA -0.271 44.438 45.100 -0.651 0.000 1.057 263 G HN 0.488 nan 8.290 nan 0.000 0.511 264 R N 0.427 120.929 120.500 0.004 0.000 2.115 264 R HA 0.137 4.476 4.340 -0.001 0.000 0.226 264 R C 1.503 177.797 176.300 -0.010 0.000 1.100 264 R CA 1.836 57.963 56.100 0.044 0.000 0.980 264 R CB -0.666 29.678 30.300 0.073 0.000 0.875 264 R HN 0.557 nan 8.270 nan 0.000 0.445 265 G N -0.682 108.092 108.800 -0.045 0.000 2.849 265 G HA2 0.139 4.098 3.960 -0.001 0.000 0.174 265 G HA3 0.139 4.098 3.960 -0.001 0.000 0.174 265 G C -0.884 173.977 174.900 -0.065 0.000 1.370 265 G CA -0.421 44.652 45.100 -0.045 0.000 1.040 265 G HN 0.154 nan 8.290 nan 0.000 0.582 266 T N 3.229 117.746 114.554 -0.062 0.000 2.752 266 T HA 0.389 4.738 4.350 -0.001 0.000 0.295 266 T C -2.241 172.392 174.700 -0.113 0.000 0.923 266 T CA -0.584 61.479 62.100 -0.062 0.000 1.112 266 T CB 1.310 70.155 68.868 -0.039 0.000 0.884 266 T HN 0.219 nan 8.240 nan 0.000 0.525 267 P HA 0.260 nan 4.420 nan 0.000 0.271 267 P C -0.778 176.308 177.300 -0.356 0.000 1.218 267 P CA -0.385 62.541 63.100 -0.289 0.000 0.780 267 P CB 0.691 32.232 31.700 -0.265 0.000 0.901 268 V N 3.841 123.417 119.914 -0.562 0.000 2.448 268 V HA 0.411 4.530 4.120 -0.001 0.000 0.295 268 V C -0.363 175.369 176.094 -0.604 0.000 1.025 268 V CA -0.267 61.792 62.300 -0.401 0.000 0.859 268 V CB 0.710 32.371 31.823 -0.270 0.000 0.988 268 V HN 0.344 nan 8.190 nan 0.000 0.431 269 F N 3.701 123.617 119.950 -0.057 0.000 2.493 269 F HA 0.698 5.225 4.527 -0.001 0.000 0.329 269 F C 0.176 175.955 175.800 -0.034 0.000 1.126 269 F CA -0.453 57.527 58.000 -0.034 0.000 0.937 269 F CB 1.898 40.897 39.000 -0.001 0.000 1.146 269 F HN 0.612 nan 8.300 nan 0.000 0.442 270 E N 3.529 123.789 120.200 0.099 0.000 2.375 270 E HA 0.455 4.804 4.350 -0.001 0.000 0.280 270 E C -3.439 173.142 176.600 -0.032 0.000 0.972 270 E CA -2.394 54.016 56.400 0.016 0.000 0.782 270 E CB 2.957 32.638 29.700 -0.031 0.000 1.229 270 E HN 0.132 nan 8.360 nan 0.000 0.439 271 P HA 0.045 nan 4.420 nan 0.000 0.278 271 P C 0.969 178.101 177.300 -0.280 0.000 1.238 271 P CA -0.460 62.492 63.100 -0.247 0.000 0.794 271 P CB 1.485 32.855 31.700 -0.549 0.000 0.955 272 V N 1.363 121.174 119.914 -0.171 0.000 2.515 272 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 272 V C 1.447 177.501 176.094 -0.068 0.000 1.058 272 V CA 1.690 63.940 62.300 -0.083 0.000 1.064 272 V CB -2.019 29.800 31.823 -0.007 0.000 0.675 272 V HN 0.738 nan 8.190 nan 0.000 0.461 273 H N -0.288 118.798 119.070 0.027 0.000 2.703 273 H HA 0.548 5.103 4.556 -0.001 0.000 0.377 273 H C 0.607 175.950 175.328 0.024 0.000 1.392 273 H CA 0.042 56.103 56.048 0.022 0.000 1.458 273 H CB 0.054 29.827 29.762 0.019 0.000 1.529 273 H HN 0.106 nan 8.280 nan 0.000 0.619 274 G N -0.973 107.987 108.800 0.267 0.000 2.890 274 G HA2 0.242 4.202 3.960 -0.001 0.000 0.189 274 G HA3 0.242 4.202 3.960 -0.001 0.000 0.189 274 G C 0.489 175.527 174.900 0.229 0.000 1.342 274 G CA -0.379 44.833 45.100 0.187 0.000 1.026 274 G HN 0.591 nan 8.290 nan 0.000 0.579 275 S N 0.214 115.997 115.700 0.137 0.000 2.474 275 S HA 0.199 4.669 4.470 -0.001 0.000 0.235 275 S C 1.639 176.292 174.600 0.089 0.000 0.997 275 S CA 1.003 59.277 58.200 0.123 0.000 0.949 275 S CB -0.284 62.988 63.200 0.120 0.000 0.766 275 S HN 1.820 nan 8.310 nan 0.000 0.517 276 A N 1.640 124.497 122.820 0.063 0.000 2.261 276 A HA -0.140 4.179 4.320 -0.001 0.000 0.282 276 A C -0.953 176.647 177.584 0.026 0.000 1.403 276 A CA 0.597 52.646 52.037 0.019 0.000 0.753 276 A CB -1.635 17.343 19.000 -0.038 0.000 1.125 276 A HN 0.390 nan 8.150 nan 0.000 0.358 277 P HA -0.174 nan 4.420 nan 0.000 0.218 277 P C 1.015 178.327 177.300 0.020 0.000 1.146 277 P CA 1.580 64.705 63.100 0.043 0.000 0.813 277 P CB -0.073 31.653 31.700 0.044 0.000 0.778 278 D N -0.170 120.236 120.400 0.009 0.000 2.348 278 D HA -0.112 4.527 4.640 -0.001 0.000 0.216 278 D C 1.510 177.807 176.300 -0.005 0.000 0.970 278 D CA 0.779 54.779 54.000 -0.000 0.000 0.889 278 D CB -0.824 39.974 40.800 -0.004 0.000 0.912 278 D HN 0.367 nan 8.370 nan 0.000 0.524 279 I N -4.328 116.238 120.570 -0.006 0.000 4.338 279 I HA 0.470 4.640 4.170 -0.001 0.000 0.329 279 I C 0.577 176.691 176.117 -0.004 0.000 1.378 279 I CA -0.765 60.528 61.300 -0.012 0.000 1.170 279 I CB 0.285 38.267 38.000 -0.030 0.000 1.206 279 I HN -0.104 nan 8.210 nan 0.000 0.432 280 A N 1.958 124.784 122.820 0.010 0.000 2.546 280 A HA 0.424 4.744 4.320 -0.001 0.000 0.243 280 A C 1.594 179.191 177.584 0.021 0.000 1.063 280 A CA 0.986 53.038 52.037 0.024 0.000 0.757 280 A CB -0.671 18.357 19.000 0.046 0.000 0.991 280 A HN 1.226 nan 8.150 nan 0.000 0.503 281 G N 2.145 110.958 108.800 0.022 0.000 2.225 281 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.254 281 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.254 281 G C 0.920 175.828 174.900 0.012 0.000 0.988 281 G CA 0.869 45.982 45.100 0.020 0.000 0.625 281 G HN 0.789 nan 8.290 nan 0.000 0.527 282 K N 0.488 120.892 120.400 0.006 0.000 2.486 282 K HA 0.397 4.716 4.320 -0.001 0.000 0.194 282 K C 1.871 178.471 176.600 0.001 0.000 1.033 282 K CA 0.815 57.103 56.287 0.001 0.000 1.004 282 K CB -0.200 32.297 32.500 -0.004 0.000 0.798 282 K HN 1.342 nan 8.250 nan 0.000 0.495 283 G N 2.094 110.896 108.800 0.003 0.000 2.258 283 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.274 283 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.274 283 G C 0.545 175.443 174.900 -0.003 0.000 1.021 283 G CA 0.824 45.926 45.100 0.005 0.000 0.798 283 G HN 0.544 nan 8.290 nan 0.000 0.507 284 I N -3.582 116.978 120.570 -0.017 0.000 4.240 284 I HA 0.733 4.903 4.170 -0.001 0.000 0.331 284 I C 1.176 177.255 176.117 -0.063 0.000 1.381 284 I CA 0.035 61.316 61.300 -0.032 0.000 1.136 284 I CB 0.372 38.354 38.000 -0.030 0.000 1.137 284 I HN 0.354 nan 8.210 nan 0.000 0.411 285 A N 2.506 125.288 122.820 -0.064 0.000 2.540 285 A HA 0.075 4.394 4.320 -0.001 0.000 0.239 285 A C 0.199 177.702 177.584 -0.135 0.000 1.061 285 A CA 0.161 52.135 52.037 -0.104 0.000 0.758 285 A CB -0.099 18.846 19.000 -0.093 0.000 0.991 285 A HN 0.513 nan 8.150 nan 0.000 0.502 286 N N 2.900 121.486 118.700 -0.190 0.000 2.420 286 N HA 0.188 4.928 4.740 -0.001 0.000 0.262 286 N C -1.794 173.609 175.510 -0.178 0.000 1.144 286 N CA -1.878 51.014 53.050 -0.263 0.000 0.952 286 N CB 1.071 39.403 38.487 -0.260 0.000 1.081 286 N HN 0.348 nan 8.380 nan 0.000 0.480 287 P HA 0.076 nan 4.420 nan 0.000 0.257 287 P C 0.811 178.149 177.300 0.065 0.000 1.281 287 P CA 0.210 63.318 63.100 0.014 0.000 0.826 287 P CB 0.316 32.071 31.700 0.091 0.000 1.237 288 T N 0.693 115.229 114.554 -0.031 0.000 2.665 288 T HA -0.181 4.168 4.350 -0.001 0.000 0.268 288 T C 1.975 176.748 174.700 0.122 0.000 1.035 288 T CA 2.099 64.242 62.100 0.072 0.000 1.151 288 T CB -0.697 68.168 68.868 -0.006 0.000 0.862 288 T HN 0.136 nan 8.240 nan 0.000 0.438 289 A N 1.159 124.060 122.820 0.134 0.000 1.933 289 A HA 0.128 4.448 4.320 -0.001 0.000 0.218 289 A C 2.586 180.238 177.584 0.113 0.000 1.175 289 A CA 1.910 54.033 52.037 0.143 0.000 0.628 289 A CB -0.960 18.148 19.000 0.179 0.000 0.814 289 A HN 0.530 nan 8.150 nan 0.000 0.444 290 A N -0.200 122.696 122.820 0.126 0.000 1.897 290 A HA 0.040 4.359 4.320 -0.001 0.000 0.215 290 A C 2.093 179.730 177.584 0.087 0.000 1.181 290 A CA 1.304 53.398 52.037 0.096 0.000 0.620 290 A CB -0.521 18.541 19.000 0.103 0.000 0.821 290 A HN 0.467 nan 8.150 nan 0.000 0.443 291 I N -0.145 120.486 120.570 0.101 0.000 2.226 291 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 291 I C 2.303 178.471 176.117 0.086 0.000 1.100 291 I CA 1.070 62.424 61.300 0.089 0.000 1.374 291 I CB -0.326 37.745 38.000 0.118 0.000 1.057 291 I HN 0.266 nan 8.210 nan 0.000 0.413 292 L N -0.234 121.057 121.223 0.114 0.000 2.093 292 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 292 L C 2.683 179.618 176.870 0.109 0.000 1.085 292 L CA 0.981 55.895 54.840 0.123 0.000 0.755 292 L CB -0.591 41.568 42.059 0.167 0.000 0.904 292 L HN 0.179 nan 8.230 nan 0.000 0.435 293 S N 0.160 115.925 115.700 0.109 0.000 2.374 293 S HA -0.229 4.240 4.470 -0.001 0.000 0.227 293 S C 2.171 176.804 174.600 0.054 0.000 1.037 293 S CA 1.432 59.708 58.200 0.127 0.000 1.024 293 S CB -0.290 62.984 63.200 0.124 0.000 0.861 293 S HN 0.529 nan 8.310 nan 0.000 0.456 294 A N 1.110 123.941 122.820 0.018 0.000 1.969 294 A HA 0.234 4.554 4.320 -0.001 0.000 0.218 294 A C 2.288 179.827 177.584 -0.075 0.000 1.169 294 A CA 1.480 53.489 52.037 -0.047 0.000 0.635 294 A CB -0.831 18.160 19.000 -0.016 0.000 0.810 294 A HN 0.504 nan 8.150 nan 0.000 0.445 295 A N -0.198 122.612 122.820 -0.016 0.000 1.873 295 A HA -0.099 4.221 4.320 -0.001 0.000 0.215 295 A C 2.229 179.793 177.584 -0.033 0.000 1.186 295 A CA 1.697 53.730 52.037 -0.006 0.000 0.616 295 A CB -0.546 18.480 19.000 0.044 0.000 0.823 295 A HN 0.513 nan 8.150 nan 0.000 0.442 296 M N -1.312 118.294 119.600 0.010 0.000 2.159 296 M HA -0.156 4.324 4.480 -0.001 0.000 0.263 296 M C 2.462 178.647 176.300 -0.191 0.000 1.063 296 M CA 1.971 57.335 55.300 0.106 0.000 1.110 296 M CB -0.445 32.365 32.600 0.351 0.000 1.374 296 M HN 0.615 nan 8.290 nan 0.000 0.411 297 M N 0.865 119.974 119.600 -0.819 0.000 2.080 297 M HA -0.231 4.249 4.480 -0.001 0.000 0.260 297 M C 2.024 178.114 176.300 -0.350 0.000 1.068 297 M CA 1.802 56.320 55.300 -1.303 0.000 1.109 297 M CB -0.168 31.784 32.600 -1.080 0.000 1.342 297 M HN 0.252 nan 8.290 nan 0.000 0.405 298 L N -0.244 120.913 121.223 -0.111 0.000 2.081 298 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 298 L C 2.515 179.405 176.870 0.033 0.000 1.080 298 L CA 1.763 56.645 54.840 0.071 0.000 0.754 298 L CB -0.755 41.312 42.059 0.013 0.000 0.893 298 L HN 0.496 nan 8.230 nan 0.000 0.433 299 E N -0.550 119.596 120.200 -0.090 0.000 2.030 299 E HA -0.165 4.184 4.350 -0.001 0.000 0.189 299 E C 2.040 178.516 176.600 -0.206 0.000 0.974 299 E CA 0.938 57.227 56.400 -0.185 0.000 0.807 299 E CB 0.057 29.549 29.700 -0.347 0.000 0.771 299 E HN 0.574 nan 8.360 nan 0.000 0.451 300 H N -0.919 118.164 119.070 0.023 0.000 2.512 300 H HA 0.166 4.722 4.556 -0.001 0.000 0.279 300 H C 1.522 176.858 175.328 0.014 0.000 0.999 300 H CA 0.910 57.002 56.048 0.073 0.000 1.283 300 H CB 0.414 30.296 29.762 0.199 0.000 1.421 300 H HN 0.208 nan 8.280 nan 0.000 0.554 301 A N -0.264 122.525 122.820 -0.052 0.000 2.044 301 A HA 0.090 4.409 4.320 -0.001 0.000 0.213 301 A C 0.868 178.035 177.584 -0.695 0.000 1.169 301 A CA 0.560 52.340 52.037 -0.427 0.000 0.724 301 A CB 0.090 18.639 19.000 -0.751 0.000 0.840 301 A HN 0.285 nan 8.150 nan 0.000 0.463 302 F N -1.277 118.679 119.950 0.011 0.000 2.746 302 F HA 0.386 4.912 4.527 -0.001 0.000 0.320 302 F C 1.668 177.464 175.800 -0.006 0.000 1.097 302 F CA -0.089 57.911 58.000 -0.001 0.000 1.195 302 F CB 0.181 39.168 39.000 -0.022 0.000 1.056 302 F HN 0.264 nan 8.300 nan 0.000 0.562 303 G N 1.528 110.383 108.800 0.092 0.000 2.203 303 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.263 303 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.263 303 G C 0.266 175.194 174.900 0.047 0.000 1.012 303 G CA 0.118 45.248 45.100 0.050 0.000 0.749 303 G HN 0.361 nan 8.290 nan 0.000 0.512 304 L N 1.247 122.507 121.223 0.061 0.000 2.536 304 L HA 0.204 4.544 4.340 -0.001 0.000 0.242 304 L C 2.033 178.904 176.870 0.002 0.000 1.280 304 L CA -0.762 54.099 54.840 0.036 0.000 1.221 304 L CB 0.410 42.496 42.059 0.045 0.000 1.449 304 L HN 0.088 nan 8.230 nan 0.000 0.405 305 V N -0.328 119.579 119.914 -0.011 0.000 2.295 305 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 305 V C 2.245 178.334 176.094 -0.008 0.000 1.049 305 V CA 1.569 63.852 62.300 -0.029 0.000 1.024 305 V CB -0.356 31.453 31.823 -0.023 0.000 0.648 305 V HN 0.667 nan 8.190 nan 0.000 0.447 306 E N -0.064 120.139 120.200 0.005 0.000 2.077 306 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 306 E C 2.251 178.864 176.600 0.022 0.000 0.989 306 E CA 1.339 57.750 56.400 0.017 0.000 0.800 306 E CB -0.195 29.515 29.700 0.017 0.000 0.746 306 E HN 0.471 nan 8.360 nan 0.000 0.452 307 L N 0.417 121.648 121.223 0.015 0.000 2.083 307 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 307 L C 2.400 179.278 176.870 0.012 0.000 1.083 307 L CA 1.145 55.993 54.840 0.014 0.000 0.752 307 L CB -0.257 41.804 42.059 0.004 0.000 0.899 307 L HN 0.096 nan 8.230 nan 0.000 0.433 308 A N -0.612 122.210 122.820 0.005 0.000 1.933 308 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 308 A C 2.331 179.931 177.584 0.026 0.000 1.175 308 A CA 1.303 53.343 52.037 0.005 0.000 0.628 308 A CB -0.373 18.614 19.000 -0.021 0.000 0.814 308 A HN 0.253 nan 8.150 nan 0.000 0.444 309 R N -0.030 120.486 120.500 0.028 0.000 2.075 309 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 309 R C 1.934 178.263 176.300 0.047 0.000 1.126 309 R CA 1.594 57.720 56.100 0.043 0.000 0.963 309 R CB -0.551 29.773 30.300 0.040 0.000 0.858 309 R HN 0.589 nan 8.270 nan 0.000 0.435 310 K N 0.217 120.641 120.400 0.040 0.000 2.148 310 K HA -0.040 4.279 4.320 -0.001 0.000 0.204 310 K C 2.091 178.706 176.600 0.025 0.000 1.050 310 K CA 0.841 57.148 56.287 0.034 0.000 0.942 310 K CB -0.043 32.481 32.500 0.040 0.000 0.724 310 K HN -0.074 nan 8.250 nan 0.000 0.446 311 V N 1.515 121.445 119.914 0.027 0.000 2.261 311 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 311 V C 2.297 178.413 176.094 0.038 0.000 1.047 311 V CA 1.792 64.106 62.300 0.025 0.000 1.015 311 V CB -0.329 31.510 31.823 0.026 0.000 0.642 311 V HN 0.380 nan 8.190 nan 0.000 0.446 312 E N -0.086 120.158 120.200 0.072 0.000 2.110 312 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 312 E C 1.813 178.480 176.600 0.111 0.000 0.988 312 E CA 1.465 57.944 56.400 0.131 0.000 0.804 312 E CB -0.057 29.752 29.700 0.181 0.000 0.745 312 E HN 0.639 nan 8.360 nan 0.000 0.458 313 D N 0.254 120.694 120.400 0.066 0.000 2.144 313 D HA -0.122 4.517 4.640 -0.001 0.000 0.200 313 D C 1.798 178.059 176.300 -0.064 0.000 0.978 313 D CA 1.087 55.101 54.000 0.022 0.000 0.833 313 D CB -0.239 40.569 40.800 0.013 0.000 0.961 313 D HN 0.239 nan 8.370 nan 0.000 0.470 314 A N 1.029 123.816 122.820 -0.055 0.000 1.858 314 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 314 A C 2.572 180.069 177.584 -0.145 0.000 1.190 314 A CA 1.306 53.295 52.037 -0.079 0.000 0.617 314 A CB -0.905 18.080 19.000 -0.024 0.000 0.827 314 A HN 0.127 nan 8.150 nan 0.000 0.443 315 V N 0.014 119.854 119.914 -0.123 0.000 2.324 315 V HA -0.305 3.814 4.120 -0.001 0.000 0.250 315 V C 3.038 178.968 176.094 -0.273 0.000 1.060 315 V CA 2.100 64.309 62.300 -0.152 0.000 1.042 315 V CB -1.298 30.492 31.823 -0.055 0.000 0.650 315 V HN 0.642 nan 8.190 nan 0.000 0.450 316 A N -0.270 122.340 122.820 -0.351 0.000 1.877 316 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 316 A C 2.301 179.732 177.584 -0.254 0.000 1.186 316 A CA 1.876 53.651 52.037 -0.436 0.000 0.620 316 A CB -0.400 18.522 19.000 -0.129 0.000 0.822 316 A HN 0.552 nan 8.150 nan 0.000 0.443 317 K N -0.292 119.938 120.400 -0.284 0.000 2.097 317 K HA -0.005 4.314 4.320 -0.001 0.000 0.205 317 K C 2.266 178.701 176.600 -0.275 0.000 1.050 317 K CA 1.009 57.067 56.287 -0.382 0.000 0.938 317 K CB -0.298 31.709 32.500 -0.821 0.000 0.718 317 K HN 0.432 nan 8.250 nan 0.000 0.442 318 A N 1.646 124.332 122.820 -0.225 0.000 1.930 318 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 318 A C 2.124 179.720 177.584 0.021 0.000 1.175 318 A CA 1.075 53.025 52.037 -0.145 0.000 0.627 318 A CB -0.601 18.104 19.000 -0.492 0.000 0.815 318 A HN 0.147 nan 8.150 nan 0.000 0.443 319 L N -0.796 120.474 121.223 0.077 0.000 2.187 319 L HA -0.171 4.168 4.340 -0.001 0.000 0.213 319 L C 2.305 179.223 176.870 0.080 0.000 1.100 319 L CA 0.929 55.865 54.840 0.161 0.000 0.765 319 L CB -0.376 41.672 42.059 -0.019 0.000 0.904 319 L HN 0.378 nan 8.230 nan 0.000 0.437 320 L N -1.230 120.007 121.223 0.024 0.000 2.249 320 L HA -0.055 4.284 4.340 -0.001 0.000 0.207 320 L C 2.487 179.381 176.870 0.040 0.000 1.090 320 L CA 0.601 55.456 54.840 0.025 0.000 0.802 320 L CB -0.206 41.853 42.059 0.000 0.000 0.947 320 L HN 0.253 nan 8.230 nan 0.000 0.453 321 E N 0.267 120.497 120.200 0.049 0.000 2.102 321 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 321 E C 0.588 177.229 176.600 0.067 0.000 0.971 321 E CA 1.300 57.738 56.400 0.064 0.000 0.821 321 E CB 0.499 30.265 29.700 0.110 0.000 0.777 321 E HN 0.293 nan 8.360 nan 0.000 0.460 322 T N 0.623 115.235 114.554 0.096 0.000 3.418 322 T HA 0.389 4.738 4.350 -0.001 0.000 0.315 322 T C -2.807 172.020 174.700 0.210 0.000 1.447 322 T CA -1.932 60.241 62.100 0.122 0.000 1.641 322 T CB 1.248 70.173 68.868 0.096 0.000 0.904 322 T HN -0.079 nan 8.240 nan 0.000 0.640 323 P HA 0.362 nan 4.420 nan 0.000 0.276 323 P C -2.748 174.574 177.300 0.035 0.000 1.230 323 P CA -1.333 61.827 63.100 0.100 0.000 0.776 323 P CB 0.456 32.187 31.700 0.053 0.000 0.888 324 P HA 0.164 nan 4.420 nan 0.000 0.274 324 P C -1.849 175.412 177.300 -0.065 0.000 1.256 324 P CA -1.527 61.515 63.100 -0.096 0.000 0.795 324 P CB -0.725 30.832 31.700 -0.238 0.000 1.038 325 P HA -0.205 nan 4.420 nan 0.000 0.217 325 P C 0.877 178.152 177.300 -0.041 0.000 1.148 325 P CA 1.580 64.657 63.100 -0.038 0.000 0.828 325 P CB -0.356 31.323 31.700 -0.036 0.000 0.783 326 D N -1.260 119.104 120.400 -0.061 0.000 2.348 326 D HA -0.091 4.548 4.640 -0.001 0.000 0.216 326 D C 1.004 177.282 176.300 -0.037 0.000 0.970 326 D CA 0.787 54.756 54.000 -0.051 0.000 0.889 326 D CB -0.519 40.241 40.800 -0.067 0.000 0.912 326 D HN 0.154 nan 8.370 nan 0.000 0.524 327 L N -0.067 121.133 121.223 -0.040 0.000 2.791 327 L HA 0.384 4.724 4.340 -0.001 0.000 0.239 327 L C 1.694 178.562 176.870 -0.005 0.000 1.203 327 L CA 0.269 55.098 54.840 -0.018 0.000 1.002 327 L CB 0.141 42.186 42.059 -0.024 0.000 1.295 327 L HN 0.278 nan 8.230 nan 0.000 0.504 328 G N -1.310 107.485 108.800 -0.008 0.000 2.159 328 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.256 328 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.256 328 G C 0.717 175.618 174.900 0.001 0.000 0.977 328 G CA 0.107 45.206 45.100 -0.001 0.000 0.652 328 G HN 0.651 nan 8.290 nan 0.000 0.531 329 G N -0.801 107.998 108.800 -0.002 0.000 2.537 329 G HA2 0.672 4.631 3.960 -0.001 0.000 0.297 329 G HA3 0.672 4.631 3.960 -0.001 0.000 0.297 329 G C 0.722 175.624 174.900 0.004 0.000 1.310 329 G CA 0.723 45.826 45.100 0.006 0.000 1.027 329 G HN 1.531 nan 8.290 nan 0.000 0.505 330 S N -2.043 113.665 115.700 0.014 0.000 2.901 330 S HA 0.623 5.092 4.470 -0.001 0.000 0.248 330 S C -0.013 174.599 174.600 0.021 0.000 1.021 330 S CA 0.202 58.410 58.200 0.012 0.000 1.090 330 S CB 0.300 63.508 63.200 0.012 0.000 1.039 330 S HN 1.260 nan 8.310 nan 0.000 0.514 331 A N 0.549 123.387 122.820 0.030 0.000 2.355 331 A HA 0.908 5.227 4.320 -0.001 0.000 0.317 331 A C 0.442 178.051 177.584 0.042 0.000 1.094 331 A CA -0.411 51.657 52.037 0.052 0.000 0.764 331 A CB 1.039 20.098 19.000 0.099 0.000 1.230 331 A HN 0.682 nan 8.150 nan 0.000 0.448 332 G N 0.118 108.946 108.800 0.046 0.000 2.528 332 G HA2 0.436 4.395 3.960 -0.001 0.000 0.289 332 G HA3 0.436 4.395 3.960 -0.001 0.000 0.289 332 G C 0.814 175.750 174.900 0.059 0.000 1.192 332 G CA 0.440 45.559 45.100 0.032 0.000 0.921 332 G HN 0.672 nan 8.290 nan 0.000 0.512 333 T N 0.515 115.089 114.554 0.034 0.000 2.592 333 T HA -0.178 4.172 4.350 -0.001 0.000 0.267 333 T C 2.088 176.858 174.700 0.116 0.000 1.060 333 T CA 1.781 63.915 62.100 0.056 0.000 1.167 333 T CB -0.162 68.724 68.868 0.030 0.000 0.863 333 T HN 0.523 nan 8.240 nan 0.000 0.431 334 E N 0.961 121.207 120.200 0.076 0.000 2.077 334 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 334 E C 2.606 179.247 176.600 0.068 0.000 0.989 334 E CA 1.201 57.639 56.400 0.064 0.000 0.800 334 E CB -0.472 29.251 29.700 0.038 0.000 0.746 334 E HN 0.544 nan 8.360 nan 0.000 0.452 335 A N 0.862 123.728 122.820 0.076 0.000 1.873 335 A HA -0.164 4.155 4.320 -0.001 0.000 0.215 335 A C 2.089 179.720 177.584 0.078 0.000 1.186 335 A CA 1.187 53.260 52.037 0.061 0.000 0.616 335 A CB -0.882 18.152 19.000 0.057 0.000 0.823 335 A HN 0.287 nan 8.150 nan 0.000 0.442 336 F N 1.640 121.584 119.950 -0.010 0.000 2.126 336 F HA -0.199 4.328 4.527 -0.001 0.000 0.299 336 F C 2.432 178.227 175.800 -0.008 0.000 1.096 336 F CA 2.377 60.372 58.000 -0.008 0.000 1.255 336 F CB -0.567 38.427 39.000 -0.010 0.000 0.997 336 F HN 0.225 nan 8.300 nan 0.000 0.479 337 T N 0.461 115.098 114.554 0.139 0.000 2.788 337 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 337 T C 2.202 176.852 174.700 -0.082 0.000 1.044 337 T CA 1.244 63.358 62.100 0.024 0.000 1.139 337 T CB -0.803 68.115 68.868 0.084 0.000 0.867 337 T HN 0.384 nan 8.240 nan 0.000 0.454 338 A N 1.476 124.259 122.820 -0.061 0.000 1.933 338 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 338 A C 2.541 180.038 177.584 -0.145 0.000 1.175 338 A CA 1.890 53.878 52.037 -0.082 0.000 0.628 338 A CB -1.152 17.817 19.000 -0.052 0.000 0.814 338 A HN 0.481 nan 8.150 nan 0.000 0.444 339 T N -0.265 114.171 114.554 -0.196 0.000 2.821 339 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 339 T C 1.874 176.423 174.700 -0.252 0.000 1.046 339 T CA 1.449 63.399 62.100 -0.250 0.000 1.139 339 T CB -0.440 68.287 68.868 -0.235 0.000 0.871 339 T HN 0.169 nan 8.240 nan 0.000 0.454 340 V N 2.018 121.739 119.914 -0.322 0.000 2.287 340 V HA -0.159 3.961 4.120 -0.001 0.000 0.248 340 V C 2.552 178.578 176.094 -0.112 0.000 1.053 340 V CA 1.528 63.695 62.300 -0.221 0.000 1.027 340 V CB -0.828 30.843 31.823 -0.253 0.000 0.646 340 V HN 0.458 nan 8.190 nan 0.000 0.447 341 L N -0.739 120.414 121.223 -0.116 0.000 2.042 341 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 341 L C 2.817 179.626 176.870 -0.101 0.000 1.076 341 L CA 1.784 56.574 54.840 -0.085 0.000 0.749 341 L CB -0.804 41.211 42.059 -0.072 0.000 0.893 341 L HN 0.273 nan 8.230 nan 0.000 0.432 342 R N -0.810 119.591 120.500 -0.164 0.000 2.080 342 R HA -0.171 4.168 4.340 -0.001 0.000 0.236 342 R C 2.380 178.550 176.300 -0.216 0.000 1.137 342 R CA 1.436 57.404 56.100 -0.219 0.000 0.943 342 R CB -0.475 29.631 30.300 -0.323 0.000 0.846 342 R HN 0.457 nan 8.270 nan 0.000 0.431 343 H N 0.304 119.311 119.070 -0.104 0.000 2.352 343 H HA -0.129 4.426 4.556 -0.001 0.000 0.299 343 H C 2.126 177.402 175.328 -0.086 0.000 1.097 343 H CA 1.129 57.118 56.048 -0.098 0.000 1.311 343 H CB -0.202 29.492 29.762 -0.114 0.000 1.377 343 H HN 0.063 nan 8.280 nan 0.000 0.504 344 L N 0.798 122.040 121.223 0.031 0.000 2.012 344 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 344 L C 2.656 179.513 176.870 -0.021 0.000 1.073 344 L CA 1.851 56.690 54.840 -0.003 0.000 0.748 344 L CB -1.089 40.959 42.059 -0.018 0.000 0.891 344 L HN 0.216 nan 8.230 nan 0.000 0.431 345 A N -1.100 121.697 122.820 -0.039 0.000 1.877 345 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 345 A C 2.428 179.980 177.584 -0.054 0.000 1.186 345 A CA 1.942 53.952 52.037 -0.045 0.000 0.620 345 A CB -1.079 17.889 19.000 -0.053 0.000 0.822 345 A HN 0.475 nan 8.150 nan 0.000 0.443 346 A N -0.391 122.393 122.820 -0.060 0.000 1.933 346 A HA 0.255 4.574 4.320 -0.001 0.000 0.218 346 A C 2.087 179.613 177.584 -0.098 0.000 1.175 346 A CA 1.701 53.697 52.037 -0.070 0.000 0.628 346 A CB -0.745 18.225 19.000 -0.050 0.000 0.814 346 A HN 1.168 nan 8.150 nan 0.000 0.444 347 A N -1.550 121.224 122.820 -0.076 0.000 2.412 347 A HA 0.618 4.937 4.320 -0.001 0.000 0.253 347 A C 1.238 178.740 177.584 -0.136 0.000 1.334 347 A CA 0.874 52.838 52.037 -0.122 0.000 0.929 347 A CB -0.625 18.331 19.000 -0.073 0.000 0.983 347 A HN 1.085 nan 8.150 nan 0.000 0.508 348 A N -1.696 121.057 122.820 -0.111 0.000 2.334 348 A HA 0.326 4.645 4.320 -0.001 0.000 0.184 348 A C 1.263 178.793 177.584 -0.090 0.000 1.594 348 A CA 0.415 52.425 52.037 -0.045 0.000 1.162 348 A CB -0.204 18.805 19.000 0.014 0.000 1.426 348 A HN 0.495 nan 8.150 nan 0.000 0.494 349 L N 0.419 121.563 121.223 -0.131 0.000 2.291 349 L HA 0.150 4.490 4.340 -0.001 0.000 0.214 349 L C 1.724 178.355 176.870 -0.398 0.000 1.120 349 L CA 1.961 56.710 54.840 -0.150 0.000 0.799 349 L CB -0.120 41.887 42.059 -0.087 0.000 0.925 349 L HN 0.521 nan 8.230 nan 0.000 0.446 350 E N -1.668 118.243 120.200 -0.481 0.000 2.371 350 E HA -0.125 4.225 4.350 -0.001 0.000 0.194 350 E C 0.388 176.413 176.600 -0.960 0.000 1.012 350 E CA 0.033 55.964 56.400 -0.783 0.000 0.860 350 E CB 0.132 29.535 29.700 -0.495 0.000 0.811 350 E HN 0.529 nan 8.360 nan 0.000 0.502 351 H N 0.147 118.887 119.070 -0.549 0.000 2.989 351 H HA 0.020 4.575 4.556 -0.001 0.000 0.284 351 H C 0.757 175.771 175.328 -0.523 0.000 1.440 351 H CA 0.469 56.179 56.048 -0.564 0.000 1.209 351 H CB -0.614 28.982 29.762 -0.276 0.000 1.453 351 H HN 0.467 nan 8.280 nan 0.000 0.550 352 H N -2.709 116.116 119.070 -0.408 0.000 2.622 352 H HA 0.082 4.637 4.556 -0.001 0.000 0.269 352 H C 0.846 176.083 175.328 -0.152 0.000 0.977 352 H CA -0.132 55.775 56.048 -0.235 0.000 1.179 352 H CB 0.156 29.833 29.762 -0.142 0.000 1.458 352 H HN 0.433 nan 8.280 nan 0.000 0.531 353 H N 0.782 119.929 119.070 0.129 0.000 2.421 353 H HA -0.045 4.510 4.556 -0.001 0.000 0.298 353 H C 0.439 175.832 175.328 0.108 0.000 1.087 353 H CA 0.709 56.837 56.048 0.134 0.000 1.330 353 H CB -0.026 29.787 29.762 0.085 0.000 1.388 353 H HN 0.567 nan 8.280 nan 0.000 0.526 354 H N 0.000 119.202 119.070 0.220 0.000 2.539 354 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 354 H CA 0.000 56.120 56.048 0.119 0.000 1.023 354 H CB 0.000 29.800 29.762 0.063 0.000 1.292 354 H HN 0.000 nan 8.280 nan 0.000 0.496