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 1ebu_1_D DATA FIRST_RESID 2 DATA SEQUENCE STKVVNVAVI GAGVVGSAFL DQLLAMKSTI TYNLVLLAEA ERSLISKDFS DATA SEQUENCE PLNVGSDWKA ALAASTTKTL PLDDLIAHLK TSPKPVILVD NTSSAYIAGF DATA SEQUENCE YTKFVENGIS IATPNKKAFS SDLATWKALF SNKPTNGFVY HEATVGAGLP DATA SEQUENCE IISFLREIIQ TGDEVEKIEG IFSGTLSYIF NEFSTSQAND VKFSDVVKVA DATA SEQUENCE KKLGYTEPDP RDDLNGLDVA RKVTIVGRIS GVEVESPTSF PVQSLIPKPL DATA SEQUENCE ESVKSADEFL EKLSDYDKDL TQLKKEAATE NKVLRFIGKV DVATKSVSVG DATA SEQUENCE IEKYDYSHPF ASLKGSDNVI SIKTKRYTNP VVIQGAGAGA AVTAAGVLGD DATA SEQUENCE VIKIAQRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.594 174.600 -0.010 0.000 1.055 2 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 3 T N 0.156 114.701 114.554 -0.015 0.000 2.864 3 T HA 0.756 5.106 4.350 0.000 0.000 0.289 3 T C -0.924 173.754 174.700 -0.036 0.000 1.082 3 T CA -0.823 61.265 62.100 -0.020 0.000 1.009 3 T CB 1.855 70.714 68.868 -0.015 0.000 1.234 3 T HN 0.139 nan 8.240 nan 0.000 0.526 4 K N 0.634 121.007 120.400 -0.046 0.000 2.416 4 K HA 0.506 4.826 4.320 0.000 0.000 0.283 4 K C -1.273 175.261 176.600 -0.110 0.000 1.037 4 K CA -0.182 56.061 56.287 -0.073 0.000 0.995 4 K CB -0.192 32.263 32.500 -0.076 0.000 0.938 4 K HN 0.544 nan 8.250 nan 0.000 0.475 5 V N 5.866 125.710 119.914 -0.117 0.000 2.638 5 V HA 0.459 4.580 4.120 0.000 0.000 0.306 5 V C -0.988 175.010 176.094 -0.161 0.000 1.052 5 V CA -0.868 61.349 62.300 -0.139 0.000 0.885 5 V CB 1.846 33.623 31.823 -0.077 0.000 0.999 5 V HN 0.639 nan 8.190 nan 0.000 0.424 6 V N 1.879 121.658 119.914 -0.226 0.000 2.769 6 V HA 0.740 4.860 4.120 0.000 0.000 0.312 6 V C -0.637 175.401 176.094 -0.094 0.000 1.061 6 V CA -0.821 61.371 62.300 -0.180 0.000 0.931 6 V CB 2.325 34.000 31.823 -0.248 0.000 1.010 6 V HN 0.727 nan 8.190 nan 0.000 0.433 7 N N 2.106 120.779 118.700 -0.046 0.000 2.424 7 N HA 0.571 5.311 4.740 0.000 0.000 0.271 7 N C -0.795 174.746 175.510 0.052 0.000 0.985 7 N CA -0.252 52.815 53.050 0.028 0.000 0.921 7 N CB 1.978 40.492 38.487 0.044 0.000 1.149 7 N HN 0.676 nan 8.380 nan 0.000 0.492 8 V N 1.393 121.366 119.914 0.098 0.000 2.407 8 V HA 0.586 4.706 4.120 0.000 0.000 0.278 8 V C 0.231 176.374 176.094 0.083 0.000 1.037 8 V CA -0.875 61.486 62.300 0.102 0.000 0.900 8 V CB 1.059 32.985 31.823 0.172 0.000 0.983 8 V HN 0.718 nan 8.190 nan 0.000 0.459 9 A N 5.481 128.324 122.820 0.040 0.000 2.273 9 A HA 0.781 5.101 4.320 0.000 0.000 0.315 9 A C -0.605 176.965 177.584 -0.022 0.000 1.256 9 A CA -0.459 51.596 52.037 0.031 0.000 0.851 9 A CB 0.976 19.997 19.000 0.035 0.000 1.172 9 A HN 0.637 nan 8.150 nan 0.000 0.508 10 V N 3.855 123.762 119.914 -0.011 0.000 2.472 10 V HA 0.499 4.619 4.120 0.000 0.000 0.290 10 V C -0.142 175.920 176.094 -0.053 0.000 1.037 10 V CA -0.276 61.989 62.300 -0.058 0.000 0.908 10 V CB 1.364 33.166 31.823 -0.035 0.000 0.985 10 V HN 0.733 nan 8.190 nan 0.000 0.454 11 I N 3.198 123.722 120.570 -0.078 0.000 2.466 11 I HA 0.777 4.947 4.170 0.000 0.000 0.289 11 I C 0.344 176.437 176.117 -0.040 0.000 1.026 11 I CA -0.453 60.826 61.300 -0.034 0.000 1.078 11 I CB 1.895 39.890 38.000 -0.008 0.000 1.249 11 I HN 0.887 nan 8.210 nan 0.000 0.429 12 G N 4.392 113.184 108.800 -0.013 0.000 3.434 12 G HA2 0.200 4.160 3.960 0.000 0.000 0.686 12 G HA3 0.200 4.160 3.960 0.000 0.000 0.686 12 G C -0.515 174.375 174.900 -0.017 0.000 1.099 12 G CA -0.289 44.810 45.100 -0.002 0.000 0.931 12 G HN 1.049 nan 8.290 nan 0.000 0.520 13 A N 1.711 124.551 122.820 0.033 0.000 2.795 13 A HA 0.827 5.147 4.320 0.000 0.000 0.282 13 A C 1.171 178.845 177.584 0.149 0.000 0.964 13 A CA 1.031 53.108 52.037 0.066 0.000 1.045 13 A CB -0.020 19.073 19.000 0.155 0.000 1.174 13 A HN 2.096 nan 8.150 nan 0.000 0.493 14 G N -0.830 108.032 108.800 0.102 0.000 2.574 14 G HA2 0.411 4.371 3.960 0.000 0.000 0.248 14 G HA3 0.411 4.371 3.960 0.000 0.000 0.248 14 G C 1.151 176.121 174.900 0.117 0.000 1.422 14 G CA 0.349 45.514 45.100 0.108 0.000 1.051 14 G HN 0.247 nan 8.290 nan 0.000 0.560 15 V N -0.372 119.596 119.914 0.090 0.000 2.218 15 V HA -0.236 3.884 4.120 0.000 0.000 0.251 15 V C 3.021 179.168 176.094 0.088 0.000 1.057 15 V CA 2.211 64.560 62.300 0.082 0.000 1.022 15 V CB -1.116 30.740 31.823 0.055 0.000 0.645 15 V HN 0.357 nan 8.190 nan 0.000 0.451 16 V N 0.716 120.674 119.914 0.074 0.000 2.307 16 V HA -0.146 3.974 4.120 0.000 0.000 0.245 16 V C 2.667 178.822 176.094 0.102 0.000 1.045 16 V CA 2.168 64.514 62.300 0.078 0.000 1.024 16 V CB -1.511 30.348 31.823 0.059 0.000 0.651 16 V HN 0.648 nan 8.190 nan 0.000 0.449 17 G N -0.534 108.311 108.800 0.075 0.000 2.442 17 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 17 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 17 G C 1.844 176.778 174.900 0.056 0.000 1.141 17 G CA 1.253 46.386 45.100 0.055 0.000 0.763 17 G HN 0.507 nan 8.290 nan 0.000 0.554 18 S N 0.990 116.765 115.700 0.124 0.000 2.356 18 S HA -0.033 4.437 4.470 0.000 0.000 0.223 18 S C 2.816 177.548 174.600 0.220 0.000 1.032 18 S CA 1.272 59.637 58.200 0.276 0.000 1.005 18 S CB -0.429 63.018 63.200 0.411 0.000 0.867 18 S HN 0.603 nan 8.310 nan 0.000 0.449 19 A N 1.136 124.049 122.820 0.156 0.000 1.877 19 A HA -0.096 4.224 4.320 0.000 0.000 0.216 19 A C 1.899 179.511 177.584 0.047 0.000 1.186 19 A CA 1.600 53.699 52.037 0.104 0.000 0.620 19 A CB -1.002 18.047 19.000 0.082 0.000 0.822 19 A HN 0.488 nan 8.150 nan 0.000 0.443 20 F N 0.739 120.662 119.950 -0.045 0.000 2.065 20 F HA -0.231 4.296 4.527 0.000 0.000 0.298 20 F C 1.960 177.675 175.800 -0.142 0.000 1.112 20 F CA 2.075 60.022 58.000 -0.090 0.000 1.212 20 F CB -0.411 38.528 39.000 -0.102 0.000 0.975 20 F HN 0.157 nan 8.300 nan 0.000 0.476 21 L N -0.089 121.004 121.223 -0.218 0.000 2.079 21 L HA -0.262 4.078 4.340 0.000 0.000 0.210 21 L C 2.196 178.878 176.870 -0.312 0.000 1.081 21 L CA 1.548 56.111 54.840 -0.462 0.000 0.752 21 L CB -0.865 40.561 42.059 -1.056 0.000 0.896 21 L HN 0.173 nan 8.230 nan 0.000 0.433 22 D N -0.330 120.028 120.400 -0.070 0.000 2.077 22 D HA -0.186 4.454 4.640 0.000 0.000 0.196 22 D C 2.273 178.507 176.300 -0.110 0.000 0.986 22 D CA 1.100 55.125 54.000 0.042 0.000 0.829 22 D CB -0.272 40.599 40.800 0.118 0.000 0.983 22 D HN 0.303 nan 8.370 nan 0.000 0.453 23 Q N -0.189 119.502 119.800 -0.182 0.000 2.112 23 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 23 Q C 2.228 178.031 176.000 -0.328 0.000 0.987 23 Q CA 0.930 56.596 55.803 -0.227 0.000 0.858 23 Q CB -0.192 28.407 28.738 -0.231 0.000 0.905 23 Q HN 0.204 nan 8.270 nan 0.000 0.420 24 L N 0.301 121.208 121.223 -0.526 0.000 2.005 24 L HA -0.150 4.190 4.340 0.000 0.000 0.207 24 L C 1.884 178.581 176.870 -0.288 0.000 1.072 24 L CA 1.653 56.176 54.840 -0.529 0.000 0.744 24 L CB -0.365 41.240 42.059 -0.756 0.000 0.895 24 L HN 0.178 nan 8.230 nan 0.000 0.433 25 L N -0.292 120.812 121.223 -0.198 0.000 2.362 25 L HA -0.081 4.259 4.340 0.000 0.000 0.219 25 L C 2.335 179.171 176.870 -0.058 0.000 1.134 25 L CA 0.806 55.597 54.840 -0.081 0.000 0.807 25 L CB -0.729 41.329 42.059 -0.001 0.000 0.927 25 L HN 0.429 nan 8.230 nan 0.000 0.447 26 A N -0.982 121.789 122.820 -0.082 0.000 2.238 26 A HA 0.103 4.423 4.320 0.000 0.000 0.210 26 A C 1.180 178.721 177.584 -0.072 0.000 1.179 26 A CA -0.256 51.746 52.037 -0.058 0.000 0.827 26 A CB -0.088 18.881 19.000 -0.051 0.000 0.856 26 A HN 0.281 nan 8.150 nan 0.000 0.488 27 M N 1.438 120.970 119.600 -0.113 0.000 2.227 27 M HA 0.165 4.645 4.480 0.000 0.000 0.349 27 M C -0.725 175.534 176.300 -0.069 0.000 1.443 27 M CA 0.383 55.611 55.300 -0.120 0.000 1.110 27 M CB 0.235 32.705 32.600 -0.217 0.000 1.773 27 M HN 0.074 nan 8.290 nan 0.000 0.463 28 K N 3.345 123.719 120.400 -0.042 0.000 2.234 28 K HA 0.429 4.749 4.320 0.000 0.000 0.277 28 K C -0.980 175.623 176.600 0.005 0.000 1.038 28 K CA -0.365 55.917 56.287 -0.009 0.000 0.888 28 K CB 1.545 34.041 32.500 -0.007 0.000 1.091 28 K HN 0.665 nan 8.250 nan 0.000 0.467 29 S N 0.833 116.559 115.700 0.043 0.000 2.579 29 S HA 0.118 4.588 4.470 0.000 0.000 0.272 29 S C 0.884 175.530 174.600 0.077 0.000 1.141 29 S CA -0.583 57.660 58.200 0.072 0.000 0.843 29 S CB 1.701 64.984 63.200 0.139 0.000 1.122 29 S HN 0.642 nan 8.310 nan 0.000 0.468 30 T N 2.145 116.736 114.554 0.061 0.000 2.881 30 T HA 0.115 4.465 4.350 0.000 0.000 0.270 30 T C 0.678 175.400 174.700 0.036 0.000 1.068 30 T CA 1.071 63.194 62.100 0.039 0.000 1.131 30 T CB -0.530 68.353 68.868 0.026 0.000 0.871 30 T HN 0.488 nan 8.240 nan 0.000 0.479 31 I N 1.721 122.332 120.570 0.068 0.000 2.428 31 I HA 0.245 4.415 4.170 0.000 0.000 0.296 31 I C -0.067 176.070 176.117 0.034 0.000 0.985 31 I CA -0.694 60.602 61.300 -0.007 0.000 1.260 31 I CB 1.887 39.835 38.000 -0.087 0.000 1.389 31 I HN -0.004 nan 8.210 nan 0.000 0.484 32 T N 5.651 120.160 114.554 -0.076 0.000 2.744 32 T HA 0.356 4.706 4.350 0.000 0.000 0.291 32 T C -0.811 173.835 174.700 -0.090 0.000 0.957 32 T CA -0.135 61.968 62.100 0.005 0.000 1.002 32 T CB 0.052 68.917 68.868 -0.005 0.000 0.919 32 T HN 0.153 nan 8.240 nan 0.000 0.468 33 Y N 2.996 123.295 120.300 -0.002 0.000 2.491 33 Y HA 0.329 4.879 4.550 0.000 0.000 0.334 33 Y C 0.664 176.571 175.900 0.012 0.000 0.969 33 Y CA -1.320 56.782 58.100 0.003 0.000 1.241 33 Y CB 0.326 38.782 38.460 -0.006 0.000 1.105 33 Y HN 0.466 nan 8.280 nan 0.000 0.503 34 N N 3.399 122.174 118.700 0.126 0.000 2.430 34 N HA 0.093 4.833 4.740 0.000 0.000 0.265 34 N C -0.712 174.866 175.510 0.114 0.000 1.100 34 N CA -0.498 52.615 53.050 0.106 0.000 0.961 34 N CB 1.539 40.080 38.487 0.091 0.000 1.075 34 N HN 0.534 nan 8.380 nan 0.000 0.478 35 L N 4.497 125.777 121.223 0.095 0.000 2.515 35 L HA 0.055 4.395 4.340 0.000 0.000 0.281 35 L C 0.813 177.735 176.870 0.087 0.000 1.131 35 L CA 0.323 55.212 54.840 0.082 0.000 0.905 35 L CB 0.273 42.364 42.059 0.052 0.000 1.246 35 L HN 0.334 nan 8.230 nan 0.000 0.463 36 V N 5.510 125.489 119.914 0.108 0.000 3.052 36 V HA 0.180 4.300 4.120 0.000 0.000 0.254 36 V C 0.452 176.600 176.094 0.090 0.000 1.100 36 V CA 0.730 63.104 62.300 0.124 0.000 1.112 36 V CB -0.094 31.870 31.823 0.235 0.000 0.738 36 V HN 0.699 nan 8.190 nan 0.000 0.469 37 L N 0.128 121.400 121.223 0.082 0.000 2.592 37 L HA 0.597 4.937 4.340 0.000 0.000 0.258 37 L C -2.183 174.714 176.870 0.045 0.000 0.926 37 L CA -0.694 54.187 54.840 0.068 0.000 0.885 37 L CB 2.176 44.296 42.059 0.102 0.000 1.380 37 L HN 0.015 nan 8.230 nan 0.000 0.415 38 L N 4.808 126.053 121.223 0.037 0.000 2.439 38 L HA 0.967 5.307 4.340 0.000 0.000 0.270 38 L C -1.272 175.619 176.870 0.034 0.000 0.972 38 L CA -0.029 54.822 54.840 0.018 0.000 0.836 38 L CB 1.640 43.708 42.059 0.015 0.000 1.255 38 L HN 0.736 nan 8.230 nan 0.000 0.404 39 A N 4.313 127.149 122.820 0.025 0.000 2.398 39 A HA 0.810 5.130 4.320 0.000 0.000 0.301 39 A C -0.638 176.968 177.584 0.037 0.000 1.041 39 A CA -0.576 51.482 52.037 0.036 0.000 0.711 39 A CB 1.254 20.276 19.000 0.037 0.000 1.240 39 A HN 0.753 nan 8.150 nan 0.000 0.420 40 E N 0.577 120.804 120.200 0.046 0.000 2.518 40 E HA 0.592 4.942 4.350 0.000 0.000 0.248 40 E C 1.297 177.917 176.600 0.034 0.000 1.028 40 E CA -0.238 56.190 56.400 0.048 0.000 0.922 40 E CB 1.385 31.122 29.700 0.062 0.000 1.299 40 E HN 0.681 nan 8.360 nan 0.000 0.457 41 A N 0.673 123.509 122.820 0.027 0.000 1.898 41 A HA -0.163 4.157 4.320 0.000 0.000 0.216 41 A C 1.326 178.911 177.584 0.001 0.000 1.181 41 A CA 1.668 53.710 52.037 0.008 0.000 0.620 41 A CB -0.441 18.558 19.000 -0.001 0.000 0.819 41 A HN 0.623 nan 8.150 nan 0.000 0.442 42 E N -1.172 119.033 120.200 0.008 0.000 2.585 42 E HA 0.514 4.864 4.350 0.000 0.000 0.206 42 E C -0.063 176.543 176.600 0.011 0.000 1.007 42 E CA -0.457 55.946 56.400 0.004 0.000 1.028 42 E CB 0.222 29.924 29.700 0.002 0.000 1.087 42 E HN 0.390 nan 8.360 nan 0.000 0.455 43 R N -0.268 120.243 120.500 0.018 0.000 2.824 43 R HA 0.365 4.705 4.340 0.000 0.000 0.267 43 R C -1.714 174.604 176.300 0.032 0.000 1.035 43 R CA -0.400 55.714 56.100 0.024 0.000 0.887 43 R CB 2.128 32.448 30.300 0.033 0.000 1.262 43 R HN 0.104 nan 8.270 nan 0.000 0.487 44 S N 1.385 117.102 115.700 0.028 0.000 2.565 44 S HA 0.547 5.017 4.470 0.000 0.000 0.269 44 S C -1.528 173.090 174.600 0.031 0.000 1.153 44 S CA -0.805 57.414 58.200 0.033 0.000 0.835 44 S CB 1.677 64.890 63.200 0.022 0.000 1.122 44 S HN 0.334 nan 8.310 nan 0.000 0.462 45 L N 2.460 123.707 121.223 0.041 0.000 2.287 45 L HA 0.637 4.977 4.340 0.000 0.000 0.287 45 L C -1.090 175.793 176.870 0.020 0.000 1.022 45 L CA -0.413 54.450 54.840 0.038 0.000 0.814 45 L CB 0.900 42.998 42.059 0.066 0.000 1.217 45 L HN 0.519 nan 8.230 nan 0.000 0.420 46 I N 1.965 122.531 120.570 -0.007 0.000 2.582 46 I HA 0.228 4.398 4.170 0.000 0.000 0.292 46 I C -0.306 175.774 176.117 -0.061 0.000 1.066 46 I CA -0.401 60.880 61.300 -0.032 0.000 1.053 46 I CB 2.366 40.316 38.000 -0.084 0.000 1.241 46 I HN 0.424 nan 8.210 nan 0.000 0.421 47 S N 4.564 120.219 115.700 -0.075 0.000 2.528 47 S HA 0.180 4.650 4.470 0.000 0.000 0.303 47 S C 0.821 175.266 174.600 -0.258 0.000 1.123 47 S CA -0.636 57.493 58.200 -0.118 0.000 1.138 47 S CB 0.572 63.731 63.200 -0.069 0.000 0.984 47 S HN 0.684 nan 8.310 nan 0.000 0.474 48 K N 3.543 123.811 120.400 -0.219 0.000 2.089 48 K HA -0.163 4.157 4.320 0.000 0.000 0.210 48 K C 1.021 177.446 176.600 -0.292 0.000 1.048 48 K CA 2.556 58.700 56.287 -0.238 0.000 0.926 48 K CB -0.111 32.308 32.500 -0.136 0.000 0.714 48 K HN 0.705 nan 8.250 nan 0.000 0.448 49 D N -1.100 119.190 120.400 -0.183 0.000 2.358 49 D HA -0.045 4.595 4.640 0.000 0.000 0.224 49 D C -0.235 176.128 176.300 0.105 0.000 1.123 49 D CA -0.348 53.644 54.000 -0.013 0.000 0.833 49 D CB -0.630 40.199 40.800 0.048 0.000 0.946 49 D HN 0.300 nan 8.370 nan 0.000 0.505 50 F N 0.170 120.161 119.950 0.068 0.000 3.048 50 F HA -0.288 4.239 4.527 0.000 0.000 0.287 50 F C 0.699 176.518 175.800 0.032 0.000 0.796 50 F CA 0.710 58.736 58.000 0.043 0.000 1.111 50 F CB -2.616 36.390 39.000 0.010 0.000 1.320 50 F HN 0.099 nan 8.300 nan 0.000 0.430 51 S N 0.934 116.702 115.700 0.113 0.000 2.592 51 S HA 0.541 5.011 4.470 0.000 0.000 0.271 51 S C -1.915 172.730 174.600 0.075 0.000 1.326 51 S CA -1.348 56.905 58.200 0.087 0.000 1.024 51 S CB 1.211 64.444 63.200 0.054 0.000 0.921 51 S HN 0.080 nan 8.310 nan 0.000 0.527 52 P HA 0.118 nan 4.420 nan 0.000 0.268 52 P C -0.557 176.775 177.300 0.053 0.000 1.205 52 P CA -0.326 62.815 63.100 0.067 0.000 0.771 52 P CB 0.313 32.051 31.700 0.064 0.000 0.858 53 L N 2.764 124.020 121.223 0.054 0.000 2.477 53 L HA 0.066 4.406 4.340 0.000 0.000 0.272 53 L C 1.411 178.313 176.870 0.054 0.000 1.157 53 L CA -0.079 54.790 54.840 0.049 0.000 0.889 53 L CB -0.657 41.436 42.059 0.058 0.000 1.158 53 L HN 0.363 nan 8.230 nan 0.000 0.473 54 N N 3.596 122.323 118.700 0.045 0.000 2.814 54 N HA 0.074 4.814 4.740 0.000 0.000 0.304 54 N C -1.078 174.463 175.510 0.053 0.000 1.211 54 N CA 0.110 53.186 53.050 0.043 0.000 1.158 54 N CB -0.037 38.468 38.487 0.031 0.000 1.458 54 N HN 0.309 nan 8.380 nan 0.000 0.519 55 V N 2.023 121.979 119.914 0.070 0.000 2.454 55 V HA 0.357 4.477 4.120 0.000 0.000 0.267 55 V C 1.515 177.668 176.094 0.098 0.000 0.993 55 V CA -0.628 61.728 62.300 0.093 0.000 0.836 55 V CB 0.739 32.649 31.823 0.145 0.000 1.055 55 V HN 0.567 nan 8.190 nan 0.000 0.452 56 G N 2.979 111.819 108.800 0.067 0.000 2.982 56 G HA2 -0.183 3.777 3.960 0.000 0.000 0.193 56 G HA3 -0.183 3.777 3.960 0.000 0.000 0.193 56 G C 1.236 176.187 174.900 0.085 0.000 1.431 56 G CA 1.497 46.632 45.100 0.059 0.000 0.787 56 G HN 0.641 nan 8.290 nan 0.000 0.720 57 S N 0.208 115.947 115.700 0.066 0.000 2.511 57 S HA 0.177 4.647 4.470 0.000 0.000 0.214 57 S C -0.038 174.592 174.600 0.050 0.000 0.997 57 S CA -0.070 58.180 58.200 0.083 0.000 0.908 57 S CB 0.469 63.690 63.200 0.034 0.000 0.803 57 S HN 0.443 nan 8.310 nan 0.000 0.504 58 D N 2.261 122.660 120.400 -0.000 0.000 2.505 58 D HA 0.115 4.755 4.640 0.000 0.000 0.242 58 D C 0.494 176.739 176.300 -0.093 0.000 1.136 58 D CA -0.380 53.541 54.000 -0.132 0.000 0.954 58 D CB 0.238 40.974 40.800 -0.107 0.000 1.002 58 D HN 0.525 nan 8.370 nan 0.000 0.512 59 W N 1.637 122.939 121.300 0.005 0.000 2.630 59 W HA 0.083 4.743 4.660 -0.000 0.000 0.271 59 W C 1.124 177.650 176.519 0.013 0.000 1.244 59 W CA -0.159 57.192 57.345 0.011 0.000 1.353 59 W CB -0.349 29.122 29.460 0.018 0.000 1.080 59 W HN 0.002 nan 8.180 nan 0.000 0.594 60 K N 1.348 121.177 120.400 -0.951 0.000 2.074 60 K HA -0.156 4.164 4.320 0.000 0.000 0.209 60 K C 2.551 179.007 176.600 -0.240 0.000 1.048 60 K CA 2.334 58.203 56.287 -0.696 0.000 0.926 60 K CB -0.504 31.444 32.500 -0.920 0.000 0.713 60 K HN 0.133 nan 8.250 nan 0.000 0.444 61 A N 1.517 124.204 122.820 -0.222 0.000 1.877 61 A HA -0.119 4.201 4.320 0.000 0.000 0.216 61 A C 2.403 179.966 177.584 -0.035 0.000 1.186 61 A CA 1.888 53.861 52.037 -0.107 0.000 0.620 61 A CB -0.732 18.209 19.000 -0.098 0.000 0.822 61 A HN 0.345 nan 8.150 nan 0.000 0.443 62 A N -0.643 122.178 122.820 0.003 0.000 1.898 62 A HA 0.018 4.338 4.320 0.000 0.000 0.216 62 A C 2.143 179.769 177.584 0.070 0.000 1.181 62 A CA 1.686 53.751 52.037 0.046 0.000 0.620 62 A CB -0.623 18.424 19.000 0.078 0.000 0.819 62 A HN 0.683 nan 8.150 nan 0.000 0.442 63 L N -0.070 121.226 121.223 0.121 0.000 2.017 63 L HA -0.058 4.282 4.340 0.000 0.000 0.208 63 L C 2.649 179.569 176.870 0.082 0.000 1.073 63 L CA 2.337 57.263 54.840 0.142 0.000 0.745 63 L CB -0.853 41.367 42.059 0.270 0.000 0.894 63 L HN 0.326 nan 8.230 nan 0.000 0.432 64 A N -0.588 122.262 122.820 0.050 0.000 1.978 64 A HA -0.074 4.246 4.320 0.000 0.000 0.220 64 A C 2.296 179.889 177.584 0.016 0.000 1.170 64 A CA 1.668 53.719 52.037 0.024 0.000 0.636 64 A CB -1.055 17.941 19.000 -0.007 0.000 0.810 64 A HN 0.588 nan 8.150 nan 0.000 0.448 65 A N -0.878 121.951 122.820 0.014 0.000 2.208 65 A HA 0.326 4.646 4.320 0.000 0.000 0.209 65 A C 1.393 178.986 177.584 0.014 0.000 1.161 65 A CA 0.736 52.778 52.037 0.009 0.000 0.782 65 A CB -0.458 18.544 19.000 0.004 0.000 0.816 65 A HN 0.435 nan 8.150 nan 0.000 0.477 66 S N -0.849 114.865 115.700 0.024 0.000 2.549 66 S HA 0.255 4.725 4.470 0.000 0.000 0.279 66 S C 1.057 175.665 174.600 0.014 0.000 1.321 66 S CA 0.585 58.798 58.200 0.021 0.000 1.054 66 S CB 0.863 64.081 63.200 0.031 0.000 0.899 66 S HN 0.366 nan 8.310 nan 0.000 0.497 67 T N 3.173 117.731 114.554 0.006 0.000 3.001 67 T HA 0.193 4.543 4.350 0.000 0.000 0.251 67 T C 0.406 175.105 174.700 -0.002 0.000 1.040 67 T CA 0.151 62.252 62.100 0.002 0.000 0.985 67 T CB -0.094 68.773 68.868 -0.001 0.000 1.011 67 T HN 0.658 nan 8.240 nan 0.000 0.509 68 T N 3.406 117.958 114.554 -0.004 0.000 2.784 68 T HA 0.172 4.522 4.350 0.000 0.000 0.291 68 T C 0.020 174.715 174.700 -0.008 0.000 0.942 68 T CA 0.083 62.176 62.100 -0.011 0.000 1.161 68 T CB 0.633 69.490 68.868 -0.018 0.000 0.885 68 T HN 0.289 nan 8.240 nan 0.000 0.534 69 K N 3.002 123.395 120.400 -0.012 0.000 2.355 69 K HA 0.090 4.410 4.320 0.000 0.000 0.270 69 K C 0.078 176.672 176.600 -0.010 0.000 1.003 69 K CA -0.216 56.066 56.287 -0.010 0.000 0.957 69 K CB 0.409 32.902 32.500 -0.012 0.000 0.939 69 K HN 0.454 nan 8.250 nan 0.000 0.482 70 T N 4.509 119.060 114.554 -0.005 0.000 2.834 70 T HA 0.122 4.472 4.350 0.000 0.000 0.298 70 T C 0.320 175.017 174.700 -0.005 0.000 0.966 70 T CA -0.340 61.761 62.100 0.000 0.000 1.141 70 T CB 0.160 69.032 68.868 0.006 0.000 0.905 70 T HN 0.388 nan 8.240 nan 0.000 0.535 71 L N 5.274 126.496 121.223 -0.001 0.000 2.485 71 L HA 0.180 4.520 4.340 0.000 0.000 0.275 71 L C -1.773 175.096 176.870 -0.001 0.000 1.207 71 L CA -1.706 53.133 54.840 -0.001 0.000 0.855 71 L CB -0.031 42.033 42.059 0.009 0.000 1.114 71 L HN 0.386 nan 8.230 nan 0.000 0.485 72 P HA 0.055 nan 4.420 nan 0.000 0.271 72 P C 0.827 178.087 177.300 -0.067 0.000 1.216 72 P CA -0.271 62.819 63.100 -0.017 0.000 0.776 72 P CB 0.639 32.344 31.700 0.007 0.000 0.881 73 L N 1.656 122.759 121.223 -0.201 0.000 2.021 73 L HA -0.294 4.046 4.340 0.000 0.000 0.215 73 L C 1.356 178.058 176.870 -0.279 0.000 1.074 73 L CA 2.026 56.615 54.840 -0.418 0.000 0.760 73 L CB -0.838 40.444 42.059 -1.294 0.000 0.889 73 L HN 0.434 nan 8.230 nan 0.000 0.433 74 D N -0.149 120.173 120.400 -0.130 0.000 2.133 74 D HA -0.209 4.431 4.640 0.000 0.000 0.195 74 D C 1.780 178.081 176.300 0.001 0.000 0.997 74 D CA 1.451 55.459 54.000 0.014 0.000 0.840 74 D CB -0.174 40.682 40.800 0.093 0.000 0.947 74 D HN 0.391 nan 8.370 nan 0.000 0.452 75 D N 0.005 120.411 120.400 0.009 0.000 2.149 75 D HA -0.084 4.556 4.640 0.000 0.000 0.201 75 D C 2.127 178.477 176.300 0.084 0.000 0.972 75 D CA 0.324 54.348 54.000 0.040 0.000 0.835 75 D CB -0.171 40.644 40.800 0.026 0.000 0.966 75 D HN 0.140 nan 8.370 nan 0.000 0.476 76 L N 1.264 122.530 121.223 0.072 0.000 2.083 76 L HA -0.110 4.230 4.340 0.000 0.000 0.209 76 L C 2.062 179.053 176.870 0.201 0.000 1.083 76 L CA 1.308 56.244 54.840 0.161 0.000 0.752 76 L CB -0.478 41.677 42.059 0.160 0.000 0.899 76 L HN -0.044 nan 8.230 nan 0.000 0.433 77 I N -0.687 119.939 120.570 0.093 0.000 2.233 77 I HA -0.224 3.946 4.170 0.000 0.000 0.243 77 I C 2.604 178.772 176.117 0.086 0.000 1.093 77 I CA 0.963 62.304 61.300 0.068 0.000 1.380 77 I CB -0.645 37.277 38.000 -0.130 0.000 1.067 77 I HN 0.346 nan 8.210 nan 0.000 0.413 78 A N 0.566 123.434 122.820 0.079 0.000 1.873 78 A HA -0.354 3.966 4.320 0.000 0.000 0.218 78 A C 2.227 179.901 177.584 0.150 0.000 1.193 78 A CA 2.540 54.631 52.037 0.090 0.000 0.629 78 A CB -1.117 17.932 19.000 0.081 0.000 0.826 78 A HN 0.552 nan 8.150 nan 0.000 0.447 79 H N -0.050 119.075 119.070 0.093 0.000 2.293 79 H HA -0.021 4.535 4.556 0.000 0.000 0.300 79 H C 1.755 177.222 175.328 0.232 0.000 1.082 79 H CA 1.975 58.109 56.048 0.144 0.000 1.308 79 H CB -0.472 29.355 29.762 0.108 0.000 1.375 79 H HN 0.332 nan 8.280 nan 0.000 0.495 80 L N 0.306 121.550 121.223 0.035 0.000 2.127 80 L HA -0.193 4.147 4.340 0.000 0.000 0.211 80 L C 2.342 179.176 176.870 -0.060 0.000 1.089 80 L CA 1.443 56.270 54.840 -0.023 0.000 0.757 80 L CB -0.394 41.726 42.059 0.101 0.000 0.899 80 L HN 0.349 nan 8.230 nan 0.000 0.434 81 K N -1.013 119.383 120.400 -0.006 0.000 2.360 81 K HA -0.143 4.177 4.320 0.000 0.000 0.201 81 K C 1.871 178.427 176.600 -0.072 0.000 1.046 81 K CA 1.321 57.588 56.287 -0.033 0.000 0.945 81 K CB -0.233 32.267 32.500 0.000 0.000 0.750 81 K HN 0.199 nan 8.250 nan 0.000 0.464 82 T N 0.603 115.129 114.554 -0.047 0.000 3.129 82 T HA -0.013 4.337 4.350 0.000 0.000 0.251 82 T C 0.631 175.164 174.700 -0.279 0.000 1.117 82 T CA -0.013 62.066 62.100 -0.034 0.000 1.034 82 T CB -0.068 68.897 68.868 0.161 0.000 0.968 82 T HN 0.084 nan 8.240 nan 0.000 0.526 83 S N 1.816 117.104 115.700 -0.687 0.000 2.552 83 S HA 0.124 4.594 4.470 0.000 0.000 0.289 83 S C -1.391 172.814 174.600 -0.659 0.000 1.304 83 S CA -1.119 56.253 58.200 -1.381 0.000 1.063 83 S CB 0.967 63.473 63.200 -1.157 0.000 0.848 83 S HN 0.232 nan 8.310 nan 0.000 0.499 84 P HA 0.122 nan 4.420 nan 0.000 0.229 84 P C -0.265 176.912 177.300 -0.204 0.000 1.160 84 P CA 0.906 63.859 63.100 -0.245 0.000 0.777 84 P CB 0.214 31.836 31.700 -0.130 0.000 0.814 85 K N -0.992 119.252 120.400 -0.260 0.000 2.400 85 K HA 0.488 4.808 4.320 0.000 0.000 0.246 85 K C -2.833 173.657 176.600 -0.182 0.000 0.995 85 K CA -2.766 53.416 56.287 -0.176 0.000 0.840 85 K CB 0.208 32.629 32.500 -0.131 0.000 1.293 85 K HN -0.286 nan 8.250 nan 0.000 0.445 86 P HA 0.055 nan 4.420 nan 0.000 0.266 86 P C -0.695 176.538 177.300 -0.112 0.000 1.195 86 P CA -0.156 62.875 63.100 -0.115 0.000 0.768 86 P CB 0.464 32.114 31.700 -0.083 0.000 0.838 87 V N 5.125 124.977 119.914 -0.103 0.000 2.459 87 V HA 0.391 4.511 4.120 0.000 0.000 0.295 87 V C 0.254 176.315 176.094 -0.056 0.000 1.029 87 V CA -0.441 61.812 62.300 -0.078 0.000 0.874 87 V CB 1.534 33.307 31.823 -0.083 0.000 0.985 87 V HN 0.383 nan 8.190 nan 0.000 0.438 88 I N 5.561 126.109 120.570 -0.035 0.000 2.355 88 I HA 0.359 4.529 4.170 0.000 0.000 0.288 88 I C -0.619 175.450 176.117 -0.080 0.000 0.999 88 I CA -0.631 60.647 61.300 -0.037 0.000 1.163 88 I CB 1.695 39.706 38.000 0.019 0.000 1.316 88 I HN 0.433 nan 8.210 nan 0.000 0.454 89 L N 8.818 129.936 121.223 -0.175 0.000 2.312 89 L HA 0.515 4.855 4.340 0.000 0.000 0.281 89 L C -0.663 176.046 176.870 -0.267 0.000 1.070 89 L CA -0.010 54.664 54.840 -0.276 0.000 0.805 89 L CB 1.449 43.171 42.059 -0.563 0.000 1.174 89 L HN 0.328 nan 8.230 nan 0.000 0.434 90 V N 4.539 124.304 119.914 -0.248 0.000 2.325 90 V HA 0.268 4.388 4.120 0.000 0.000 0.280 90 V C -0.812 175.125 176.094 -0.261 0.000 1.016 90 V CA -0.612 61.510 62.300 -0.296 0.000 0.818 90 V CB 1.067 32.630 31.823 -0.433 0.000 1.019 90 V HN 0.814 nan 8.190 nan 0.000 0.434 91 D N 3.905 124.189 120.400 -0.193 0.000 2.441 91 D HA 0.149 4.789 4.640 0.000 0.000 0.221 91 D C 0.514 176.787 176.300 -0.045 0.000 1.156 91 D CA -0.107 53.850 54.000 -0.072 0.000 0.896 91 D CB 0.493 41.332 40.800 0.064 0.000 1.028 91 D HN 0.371 nan 8.370 nan 0.000 0.509 92 N N 3.003 121.651 118.700 -0.086 0.000 2.597 92 N HA 0.061 4.801 4.740 0.000 0.000 0.269 92 N C -0.069 175.448 175.510 0.011 0.000 1.204 92 N CA 0.045 53.058 53.050 -0.062 0.000 0.947 92 N CB 0.532 38.949 38.487 -0.116 0.000 1.258 92 N HN 0.581 nan 8.380 nan 0.000 0.508 93 T N -3.284 111.301 114.554 0.051 0.000 2.883 93 T HA 0.435 4.785 4.350 0.000 0.000 0.284 93 T C 0.709 175.466 174.700 0.094 0.000 1.041 93 T CA -0.659 61.484 62.100 0.072 0.000 1.007 93 T CB 1.468 70.386 68.868 0.083 0.000 1.220 93 T HN -0.022 nan 8.240 nan 0.000 0.552 94 S N -0.132 115.620 115.700 0.087 0.000 2.664 94 S HA 0.319 4.790 4.470 0.000 0.000 0.245 94 S C 0.518 175.167 174.600 0.082 0.000 1.019 94 S CA -0.610 57.643 58.200 0.089 0.000 0.996 94 S CB -0.153 63.093 63.200 0.076 0.000 0.878 94 S HN 0.797 nan 8.310 nan 0.000 0.493 95 S N 1.685 117.442 115.700 0.095 0.000 2.488 95 S HA 0.530 5.000 4.470 0.000 0.000 0.278 95 S C 1.295 175.949 174.600 0.090 0.000 1.259 95 S CA -0.041 58.225 58.200 0.110 0.000 1.061 95 S CB 0.700 63.992 63.200 0.153 0.000 0.910 95 S HN 0.541 nan 8.310 nan 0.000 0.491 96 A N 5.441 128.311 122.820 0.084 0.000 1.970 96 A HA 0.041 4.361 4.320 0.000 0.000 0.216 96 A C 1.695 179.312 177.584 0.056 0.000 1.170 96 A CA 0.997 53.053 52.037 0.032 0.000 0.645 96 A CB -0.917 18.103 19.000 0.034 0.000 0.816 96 A HN 1.012 nan 8.150 nan 0.000 0.447 97 Y N 1.098 121.423 120.300 0.043 0.000 2.070 97 Y HA -0.267 4.283 4.550 0.000 0.000 0.280 97 Y C 2.003 178.025 175.900 0.203 0.000 1.148 97 Y CA 2.126 60.292 58.100 0.110 0.000 1.125 97 Y CB -0.365 38.153 38.460 0.096 0.000 0.975 97 Y HN 0.280 nan 8.280 nan 0.000 0.492 98 I N 0.253 120.930 120.570 0.179 0.000 2.208 98 I HA -0.349 3.821 4.170 0.000 0.000 0.245 98 I C 2.709 178.890 176.117 0.108 0.000 1.097 98 I CA 1.237 62.642 61.300 0.176 0.000 1.363 98 I CB -1.047 37.103 38.000 0.250 0.000 1.051 98 I HN 0.362 nan 8.210 nan 0.000 0.413 99 A N 1.343 124.071 122.820 -0.154 0.000 1.917 99 A HA -0.201 4.119 4.320 0.000 0.000 0.219 99 A C 2.403 179.678 177.584 -0.516 0.000 1.182 99 A CA 2.075 53.685 52.037 -0.712 0.000 0.633 99 A CB -1.537 17.149 19.000 -0.523 0.000 0.819 99 A HN 0.498 nan 8.150 nan 0.000 0.448 100 G N -2.537 106.113 108.800 -0.250 0.000 2.586 100 G HA2 -0.063 3.897 3.960 0.000 0.000 0.215 100 G HA3 -0.063 3.897 3.960 0.000 0.000 0.215 100 G C 1.024 175.726 174.900 -0.331 0.000 1.128 100 G CA 0.809 45.742 45.100 -0.279 0.000 0.774 100 G HN 0.494 nan 8.290 nan 0.000 0.543 101 F N -1.393 118.454 119.950 -0.171 0.000 2.721 101 F HA 0.313 4.840 4.527 0.000 0.000 0.301 101 F C 2.017 177.918 175.800 0.168 0.000 1.096 101 F CA -0.607 57.333 58.000 -0.100 0.000 1.308 101 F CB 0.128 39.022 39.000 -0.177 0.000 1.086 101 F HN 0.144 nan 8.300 nan 0.000 0.587 102 Y N 0.132 120.544 120.300 0.186 0.000 2.139 102 Y HA -0.358 4.192 4.550 0.000 0.000 0.282 102 Y C 2.522 178.461 175.900 0.065 0.000 1.179 102 Y CA 1.313 59.517 58.100 0.173 0.000 1.161 102 Y CB -0.808 37.606 38.460 -0.077 0.000 0.970 102 Y HN -0.037 nan 8.280 nan 0.000 0.511 103 T N 0.037 114.649 114.554 0.096 0.000 2.684 103 T HA -0.205 4.145 4.350 0.000 0.000 0.267 103 T C 1.692 176.381 174.700 -0.018 0.000 1.036 103 T CA 1.582 63.672 62.100 -0.015 0.000 1.148 103 T CB -0.225 68.589 68.868 -0.089 0.000 0.863 103 T HN 0.308 nan 8.240 nan 0.000 0.436 104 K N 0.092 120.456 120.400 -0.061 0.000 2.009 104 K HA -0.074 4.246 4.320 0.000 0.000 0.210 104 K C 2.036 178.610 176.600 -0.043 0.000 1.049 104 K CA 1.394 57.619 56.287 -0.104 0.000 0.929 104 K CB -0.413 31.976 32.500 -0.184 0.000 0.714 104 K HN 0.208 nan 8.250 nan 0.000 0.440 105 F N 1.145 121.123 119.950 0.046 0.000 2.027 105 F HA -0.292 4.235 4.527 0.000 0.000 0.297 105 F C 2.450 178.224 175.800 -0.044 0.000 1.129 105 F CA 1.281 59.286 58.000 0.009 0.000 1.195 105 F CB -1.124 37.877 39.000 0.001 0.000 0.960 105 F HN -0.218 nan 8.300 nan 0.000 0.485 106 V N -0.293 119.715 119.914 0.157 0.000 2.282 106 V HA -0.321 3.799 4.120 0.000 0.000 0.249 106 V C 2.114 178.197 176.094 -0.018 0.000 1.057 106 V CA 2.265 64.576 62.300 0.018 0.000 1.032 106 V CB -0.752 31.052 31.823 -0.033 0.000 0.645 106 V HN 0.320 nan 8.190 nan 0.000 0.447 107 E N -0.060 120.130 120.200 -0.017 0.000 2.338 107 E HA -0.110 4.240 4.350 0.000 0.000 0.197 107 E C 1.312 177.893 176.600 -0.033 0.000 1.007 107 E CA 0.531 56.910 56.400 -0.036 0.000 0.849 107 E CB -0.073 29.602 29.700 -0.042 0.000 0.774 107 E HN 0.583 nan 8.360 nan 0.000 0.506 108 N N -0.402 118.289 118.700 -0.014 0.000 2.273 108 N HA 0.061 4.801 4.740 0.000 0.000 0.231 108 N C 0.283 175.780 175.510 -0.022 0.000 1.134 108 N CA 0.612 53.653 53.050 -0.015 0.000 0.856 108 N CB 1.484 39.969 38.487 -0.003 0.000 1.068 108 N HN 0.187 nan 8.380 nan 0.000 0.510 109 G N 1.034 109.806 108.800 -0.046 0.000 2.143 109 G HA2 -0.222 3.738 3.960 0.000 0.000 0.248 109 G HA3 -0.222 3.738 3.960 0.000 0.000 0.248 109 G C -0.101 174.751 174.900 -0.080 0.000 0.991 109 G CA -0.216 44.833 45.100 -0.084 0.000 0.689 109 G HN 0.242 nan 8.290 nan 0.000 0.522 110 I N 1.403 121.957 120.570 -0.027 0.000 2.354 110 I HA 0.433 4.603 4.170 0.000 0.000 0.292 110 I C 0.833 176.912 176.117 -0.062 0.000 0.989 110 I CA -0.597 60.691 61.300 -0.020 0.000 1.188 110 I CB 1.305 39.361 38.000 0.093 0.000 1.342 110 I HN 0.044 nan 8.210 nan 0.000 0.457 111 S N 6.528 122.180 115.700 -0.080 0.000 2.632 111 S HA 0.640 5.110 4.470 0.000 0.000 0.267 111 S C 0.041 174.579 174.600 -0.104 0.000 1.276 111 S CA -0.385 57.790 58.200 -0.042 0.000 0.998 111 S CB 1.302 64.536 63.200 0.056 0.000 0.953 111 S HN 0.365 nan 8.310 nan 0.000 0.547 112 I N 1.230 121.758 120.570 -0.069 0.000 2.533 112 I HA 0.592 4.762 4.170 0.000 0.000 0.290 112 I C -0.488 175.614 176.117 -0.024 0.000 1.056 112 I CA -0.711 60.479 61.300 -0.182 0.000 1.057 112 I CB 1.893 39.653 38.000 -0.400 0.000 1.240 112 I HN 0.621 nan 8.210 nan 0.000 0.423 113 A N 3.948 126.721 122.820 -0.079 0.000 2.343 113 A HA 0.868 5.188 4.320 0.000 0.000 0.308 113 A C -0.571 176.974 177.584 -0.066 0.000 1.092 113 A CA -0.527 51.500 52.037 -0.018 0.000 0.751 113 A CB 1.882 20.845 19.000 -0.063 0.000 1.203 113 A HN 0.662 nan 8.150 nan 0.000 0.452 114 T N 2.448 117.020 114.554 0.030 0.000 2.827 114 T HA 0.646 4.996 4.350 0.000 0.000 0.328 114 T C -2.847 171.920 174.700 0.112 0.000 1.598 114 T CA -0.544 61.586 62.100 0.049 0.000 1.043 114 T CB 2.100 71.058 68.868 0.150 0.000 1.447 114 T HN 0.315 nan 8.240 nan 0.000 0.491 115 P HA 0.218 nan 4.420 nan 0.000 0.275 115 P C -0.138 177.266 177.300 0.174 0.000 1.310 115 P CA -0.138 63.029 63.100 0.112 0.000 0.904 115 P CB -0.132 31.605 31.700 0.062 0.000 1.381 116 N N 1.207 120.051 118.700 0.239 0.000 2.442 116 N HA 0.061 4.801 4.740 0.000 0.000 0.265 116 N C 0.921 176.664 175.510 0.388 0.000 1.138 116 N CA -0.227 52.987 53.050 0.273 0.000 0.956 116 N CB 0.640 39.295 38.487 0.280 0.000 1.067 116 N HN -0.141 nan 8.380 nan 0.000 0.474 117 K N 2.457 123.039 120.400 0.304 0.000 2.305 117 K HA -0.007 4.313 4.320 0.000 0.000 0.199 117 K C 1.505 178.294 176.600 0.315 0.000 1.047 117 K CA 0.324 56.827 56.287 0.359 0.000 0.976 117 K CB 0.242 32.888 32.500 0.243 0.000 0.765 117 K HN 0.476 nan 8.250 nan 0.000 0.474 118 K N 1.384 121.881 120.400 0.163 0.000 2.001 118 K HA -0.210 4.110 4.320 0.000 0.000 0.223 118 K C 2.268 178.821 176.600 -0.079 0.000 1.055 118 K CA 1.974 58.279 56.287 0.031 0.000 0.965 118 K CB -0.766 31.712 32.500 -0.036 0.000 0.730 118 K HN 0.193 nan 8.250 nan 0.000 0.449 119 A N 0.458 123.081 122.820 -0.329 0.000 2.084 119 A HA -0.148 4.172 4.320 0.000 0.000 0.221 119 A C 1.874 179.134 177.584 -0.541 0.000 1.161 119 A CA 1.538 53.195 52.037 -0.634 0.000 0.653 119 A CB -0.680 17.589 19.000 -1.218 0.000 0.802 119 A HN 0.318 nan 8.150 nan 0.000 0.457 120 F N -0.509 119.532 119.950 0.152 0.000 2.731 120 F HA 0.101 4.628 4.527 0.000 0.000 0.298 120 F C 1.848 177.859 175.800 0.352 0.000 1.106 120 F CA 0.711 58.942 58.000 0.384 0.000 1.329 120 F CB 0.262 39.473 39.000 0.351 0.000 1.100 120 F HN 0.186 nan 8.300 nan 0.000 0.592 121 S N -1.909 113.972 115.700 0.302 0.000 2.561 121 S HA 0.297 4.767 4.470 0.000 0.000 0.245 121 S C 0.450 175.106 174.600 0.094 0.000 1.001 121 S CA -0.266 58.041 58.200 0.180 0.000 1.002 121 S CB -0.002 63.295 63.200 0.162 0.000 0.805 121 S HN 0.109 nan 8.310 nan 0.000 0.458 122 S N 1.921 117.670 115.700 0.082 0.000 2.638 122 S HA 0.349 4.819 4.470 0.000 0.000 0.256 122 S C -0.680 173.944 174.600 0.040 0.000 1.089 122 S CA -0.566 57.651 58.200 0.029 0.000 1.020 122 S CB 0.257 63.444 63.200 -0.022 0.000 1.252 122 S HN 0.643 nan 8.310 nan 0.000 0.542 123 D N 1.184 121.598 120.400 0.025 0.000 2.362 123 D HA 0.064 4.704 4.640 0.000 0.000 0.242 123 D C 1.536 177.885 176.300 0.082 0.000 1.132 123 D CA -0.243 53.776 54.000 0.032 0.000 0.907 123 D CB 0.578 41.384 40.800 0.011 0.000 1.195 123 D HN 0.474 nan 8.370 nan 0.000 0.429 124 L N 1.319 122.582 121.223 0.066 0.000 2.042 124 L HA -0.248 4.092 4.340 0.000 0.000 0.210 124 L C 2.794 179.767 176.870 0.171 0.000 1.076 124 L CA 1.833 56.740 54.840 0.112 0.000 0.749 124 L CB -0.603 41.486 42.059 0.051 0.000 0.893 124 L HN 0.623 nan 8.230 nan 0.000 0.432 125 A N 0.379 123.256 122.820 0.095 0.000 1.892 125 A HA -0.286 4.034 4.320 0.000 0.000 0.218 125 A C 2.430 180.058 177.584 0.074 0.000 1.188 125 A CA 2.796 54.876 52.037 0.072 0.000 0.631 125 A CB -1.167 17.849 19.000 0.026 0.000 0.822 125 A HN 0.549 nan 8.150 nan 0.000 0.447 126 T N -3.862 110.727 114.554 0.058 0.000 2.857 126 T HA -0.190 4.160 4.350 0.000 0.000 0.266 126 T C 1.812 176.546 174.700 0.056 0.000 1.048 126 T CA 1.110 63.214 62.100 0.007 0.000 1.139 126 T CB -0.517 68.318 68.868 -0.054 0.000 0.874 126 T HN 0.661 nan 8.240 nan 0.000 0.455 127 W N 2.999 124.297 121.300 -0.004 0.000 2.335 127 W HA -0.156 4.504 4.660 0.000 0.000 0.311 127 W C 1.618 178.251 176.519 0.190 0.000 1.213 127 W CA 1.376 58.792 57.345 0.118 0.000 1.274 127 W CB -0.245 29.320 29.460 0.174 0.000 1.148 127 W HN 0.140 nan 8.180 nan 0.000 0.498 128 K N 0.555 121.158 120.400 0.338 0.000 2.057 128 K HA -0.123 4.197 4.320 0.000 0.000 0.207 128 K C 2.226 178.861 176.600 0.058 0.000 1.049 128 K CA 1.594 58.013 56.287 0.218 0.000 0.931 128 K CB -1.280 31.341 32.500 0.201 0.000 0.714 128 K HN 0.205 nan 8.250 nan 0.000 0.440 129 A N 1.310 124.135 122.820 0.008 0.000 2.019 129 A HA -0.079 4.241 4.320 0.000 0.000 0.219 129 A C 2.212 179.713 177.584 -0.138 0.000 1.164 129 A CA 1.079 53.085 52.037 -0.051 0.000 0.644 129 A CB -0.496 18.471 19.000 -0.054 0.000 0.805 129 A HN 0.181 nan 8.150 nan 0.000 0.449 130 L N -2.588 118.469 121.223 -0.277 0.000 2.375 130 L HA 0.100 4.440 4.340 0.000 0.000 0.215 130 L C 0.840 177.316 176.870 -0.657 0.000 1.108 130 L CA 0.539 55.066 54.840 -0.523 0.000 0.830 130 L CB 0.008 41.580 42.059 -0.811 0.000 0.959 130 L HN 0.436 nan 8.230 nan 0.000 0.457 131 F N -1.687 118.154 119.950 -0.182 0.000 2.735 131 F HA 0.099 4.626 4.527 0.000 0.000 0.304 131 F C 1.955 177.714 175.800 -0.069 0.000 1.119 131 F CA -0.208 57.700 58.000 -0.153 0.000 1.280 131 F CB 0.052 38.886 39.000 -0.277 0.000 0.994 131 F HN -0.038 nan 8.300 nan 0.000 0.520 132 S N -0.518 115.221 115.700 0.064 0.000 2.603 132 S HA -0.179 4.291 4.470 0.000 0.000 0.229 132 S C 1.000 175.635 174.600 0.059 0.000 0.972 132 S CA 0.341 58.577 58.200 0.060 0.000 0.935 132 S CB -0.758 62.457 63.200 0.026 0.000 0.769 132 S HN 0.635 nan 8.310 nan 0.000 0.536 133 N N 1.112 119.856 118.700 0.072 0.000 2.705 133 N HA -0.175 4.565 4.740 0.000 0.000 0.255 133 N C -1.167 174.372 175.510 0.048 0.000 1.008 133 N CA 0.333 53.432 53.050 0.083 0.000 0.742 133 N CB -0.823 37.726 38.487 0.104 0.000 0.906 133 N HN 0.603 nan 8.380 nan 0.000 0.541 134 K N 0.332 120.741 120.400 0.016 0.000 2.249 134 K HA 0.160 4.480 4.320 0.000 0.000 0.280 134 K C -1.416 175.174 176.600 -0.017 0.000 1.033 134 K CA -1.655 54.632 56.287 -0.000 0.000 0.946 134 K CB 0.850 33.342 32.500 -0.015 0.000 1.005 134 K HN 0.018 nan 8.250 nan 0.000 0.469 135 P HA -0.219 nan 4.420 nan 0.000 0.218 135 P C 0.611 177.874 177.300 -0.062 0.000 1.154 135 P CA 1.450 64.536 63.100 -0.023 0.000 0.872 135 P CB 0.231 31.924 31.700 -0.011 0.000 0.790 136 T N -1.934 112.584 114.554 -0.059 0.000 3.088 136 T HA 0.015 4.365 4.350 0.000 0.000 0.259 136 T C 0.702 175.341 174.700 -0.102 0.000 1.122 136 T CA 0.264 62.320 62.100 -0.075 0.000 1.095 136 T CB -0.785 68.051 68.868 -0.053 0.000 0.930 136 T HN 0.268 nan 8.240 nan 0.000 0.508 137 N N 0.936 119.572 118.700 -0.107 0.000 2.503 137 N HA 0.402 5.143 4.740 0.000 0.000 0.267 137 N C 0.503 175.874 175.510 -0.231 0.000 1.214 137 N CA -0.566 52.410 53.050 -0.125 0.000 0.959 137 N CB 0.809 39.244 38.487 -0.087 0.000 1.142 137 N HN 0.224 nan 8.380 nan 0.000 0.455 138 G N 0.589 109.261 108.800 -0.213 0.000 2.580 138 G HA2 0.354 4.314 3.960 0.000 0.000 0.278 138 G HA3 0.354 4.314 3.960 0.000 0.000 0.278 138 G C -0.609 174.123 174.900 -0.281 0.000 1.212 138 G CA -0.590 44.315 45.100 -0.326 0.000 0.939 138 G HN 0.399 nan 8.290 nan 0.000 0.513 139 F N -1.163 118.821 119.950 0.056 0.000 2.382 139 F HA 0.443 4.970 4.527 0.000 0.000 0.331 139 F C 0.392 176.276 175.800 0.140 0.000 1.121 139 F CA -0.529 57.556 58.000 0.140 0.000 1.183 139 F CB 1.850 41.010 39.000 0.266 0.000 1.207 139 F HN 0.014 nan 8.300 nan 0.000 0.555 140 V N 3.217 123.352 119.914 0.369 0.000 2.380 140 V HA 0.289 4.409 4.120 0.000 0.000 0.286 140 V C -1.163 175.127 176.094 0.326 0.000 1.015 140 V CA -0.852 61.591 62.300 0.238 0.000 0.834 140 V CB 0.728 32.528 31.823 -0.039 0.000 1.009 140 V HN 0.497 nan 8.190 nan 0.000 0.428 141 Y N 4.028 124.443 120.300 0.192 0.000 2.429 141 Y HA 0.647 5.197 4.550 0.000 0.000 0.342 141 Y C 0.822 176.813 175.900 0.150 0.000 1.004 141 Y CA -0.972 57.233 58.100 0.175 0.000 1.075 141 Y CB 1.762 40.262 38.460 0.067 0.000 1.214 141 Y HN 0.777 nan 8.280 nan 0.000 0.455 142 H N 0.832 119.869 119.070 -0.054 0.000 3.074 142 H HA 0.241 4.797 4.556 0.000 0.000 0.227 142 H C 0.644 175.911 175.328 -0.100 0.000 1.365 142 H CA -0.225 55.706 56.048 -0.195 0.000 1.078 142 H CB -0.132 29.132 29.762 -0.830 0.000 2.347 142 H HN 0.637 nan 8.280 nan 0.000 0.567 143 E N 2.549 122.654 120.200 -0.158 0.000 2.086 143 E HA -0.141 4.209 4.350 0.000 0.000 0.200 143 E C 2.065 178.630 176.600 -0.058 0.000 1.012 143 E CA 2.144 58.466 56.400 -0.129 0.000 0.812 143 E CB -0.349 29.345 29.700 -0.011 0.000 0.743 143 E HN 0.579 nan 8.360 nan 0.000 0.453 144 A N -0.632 122.190 122.820 0.003 0.000 2.259 144 A HA -0.072 4.248 4.320 0.000 0.000 0.212 144 A C 1.981 179.605 177.584 0.066 0.000 1.178 144 A CA 1.505 53.565 52.037 0.038 0.000 0.734 144 A CB -0.643 18.387 19.000 0.049 0.000 0.774 144 A HN 0.304 nan 8.150 nan 0.000 0.481 145 T N -0.984 113.607 114.554 0.062 0.000 3.043 145 T HA 0.180 4.530 4.350 0.000 0.000 0.263 145 T C 0.320 175.099 174.700 0.132 0.000 1.094 145 T CA 0.903 63.079 62.100 0.128 0.000 1.127 145 T CB 0.024 69.010 68.868 0.196 0.000 0.905 145 T HN 0.103 nan 8.240 nan 0.000 0.490 146 V N 0.465 120.439 119.914 0.100 0.000 2.525 146 V HA 0.644 4.764 4.120 0.000 0.000 0.299 146 V C 0.944 177.117 176.094 0.132 0.000 1.034 146 V CA -0.634 61.764 62.300 0.164 0.000 0.863 146 V CB 1.001 32.926 31.823 0.171 0.000 0.999 146 V HN 0.406 nan 8.190 nan 0.000 0.423 147 G N 3.726 112.616 108.800 0.150 0.000 2.203 147 G HA2 0.003 3.963 3.960 0.000 0.000 0.263 147 G HA3 0.003 3.963 3.960 0.000 0.000 0.263 147 G C 0.922 175.843 174.900 0.034 0.000 1.012 147 G CA 1.033 46.166 45.100 0.056 0.000 0.749 147 G HN 2.405 nan 8.290 nan 0.000 0.512 148 A N -1.455 121.397 122.820 0.054 0.000 5.318 148 A HA 0.012 4.332 4.320 0.000 0.000 0.329 148 A C 2.802 180.400 177.584 0.024 0.000 1.789 148 A CA 3.006 55.066 52.037 0.039 0.000 0.711 148 A CB -1.347 17.671 19.000 0.029 0.000 1.398 148 A HN 2.179 nan 8.150 nan 0.000 0.392 149 G N -0.640 108.168 108.800 0.014 0.000 2.598 149 G HA2 0.347 4.307 3.960 0.000 0.000 0.215 149 G HA3 0.347 4.307 3.960 0.000 0.000 0.215 149 G C 0.673 175.571 174.900 -0.004 0.000 1.131 149 G CA 0.708 45.812 45.100 0.008 0.000 0.785 149 G HN 0.766 nan 8.290 nan 0.000 0.539 150 L N 0.685 121.901 121.223 -0.012 0.000 2.485 150 L HA 0.148 4.488 4.340 0.000 0.000 0.275 150 L C -1.543 175.316 176.870 -0.018 0.000 1.207 150 L CA -1.458 53.366 54.840 -0.028 0.000 0.855 150 L CB 0.897 42.931 42.059 -0.043 0.000 1.114 150 L HN -0.077 nan 8.230 nan 0.000 0.485 151 P HA -0.051 nan 4.420 nan 0.000 0.285 151 P C 1.036 178.361 177.300 0.042 0.000 1.521 151 P CA 0.168 63.269 63.100 0.001 0.000 0.792 151 P CB -0.128 31.561 31.700 -0.019 0.000 1.613 152 I N -0.541 120.048 120.570 0.032 0.000 2.099 152 I HA -0.236 3.934 4.170 0.000 0.000 0.239 152 I C 2.247 178.424 176.117 0.100 0.000 1.066 152 I CA 1.555 62.905 61.300 0.082 0.000 1.324 152 I CB -1.360 36.690 38.000 0.082 0.000 1.037 152 I HN 0.077 nan 8.210 nan 0.000 0.401 153 I N 1.053 121.632 120.570 0.014 0.000 2.142 153 I HA -0.307 3.863 4.170 0.000 0.000 0.240 153 I C 2.814 178.906 176.117 -0.041 0.000 1.078 153 I CA 1.797 63.062 61.300 -0.058 0.000 1.343 153 I CB -0.403 37.450 38.000 -0.245 0.000 1.046 153 I HN 0.297 nan 8.210 nan 0.000 0.405 154 S N 1.269 116.962 115.700 -0.012 0.000 2.365 154 S HA -0.280 4.190 4.470 0.000 0.000 0.225 154 S C 2.028 176.667 174.600 0.066 0.000 1.039 154 S CA 1.298 59.510 58.200 0.019 0.000 1.033 154 S CB -1.196 62.044 63.200 0.066 0.000 0.887 154 S HN 0.433 nan 8.310 nan 0.000 0.447 155 F N 2.570 122.498 119.950 -0.036 0.000 2.069 155 F HA 0.039 4.566 4.527 0.000 0.000 0.298 155 F C 2.074 177.858 175.800 -0.026 0.000 1.113 155 F CA 1.111 59.093 58.000 -0.029 0.000 1.214 155 F CB -0.599 38.377 39.000 -0.041 0.000 0.978 155 F HN 0.137 nan 8.300 nan 0.000 0.474 156 L N -0.394 120.794 121.223 -0.058 0.000 2.042 156 L HA -0.237 4.104 4.340 0.000 0.000 0.210 156 L C 2.593 179.368 176.870 -0.158 0.000 1.076 156 L CA 1.394 56.147 54.840 -0.144 0.000 0.749 156 L CB -0.520 41.531 42.059 -0.014 0.000 0.893 156 L HN 0.025 nan 8.230 nan 0.000 0.432 157 R N -0.331 120.099 120.500 -0.115 0.000 2.115 157 R HA -0.135 4.205 4.340 0.000 0.000 0.230 157 R C 2.169 178.398 176.300 -0.118 0.000 1.111 157 R CA 0.980 57.012 56.100 -0.114 0.000 0.976 157 R CB -0.183 30.043 30.300 -0.123 0.000 0.870 157 R HN 0.356 nan 8.270 nan 0.000 0.445 158 E N 0.279 120.395 120.200 -0.139 0.000 2.028 158 E HA -0.126 4.224 4.350 0.000 0.000 0.190 158 E C 1.865 178.369 176.600 -0.160 0.000 0.984 158 E CA 1.329 57.656 56.400 -0.123 0.000 0.800 158 E CB -0.033 29.616 29.700 -0.083 0.000 0.758 158 E HN 0.411 nan 8.360 nan 0.000 0.448 159 I N -1.183 119.213 120.570 -0.290 0.000 2.394 159 I HA -0.187 3.983 4.170 0.000 0.000 0.251 159 I C 2.168 178.204 176.117 -0.135 0.000 1.136 159 I CA 1.060 62.220 61.300 -0.233 0.000 1.425 159 I CB -0.369 37.412 38.000 -0.364 0.000 1.079 159 I HN 0.056 nan 8.210 nan 0.000 0.425 160 I N 1.161 121.651 120.570 -0.132 0.000 2.252 160 I HA -0.249 3.921 4.170 0.000 0.000 0.245 160 I C 2.813 178.896 176.117 -0.057 0.000 1.102 160 I CA 1.474 62.727 61.300 -0.078 0.000 1.385 160 I CB -0.426 37.532 38.000 -0.069 0.000 1.064 160 I HN 0.337 nan 8.210 nan 0.000 0.414 161 Q N 0.073 119.836 119.800 -0.061 0.000 2.124 161 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 161 Q C 2.235 178.216 176.000 -0.032 0.000 0.977 161 Q CA 2.229 58.008 55.803 -0.041 0.000 0.850 161 Q CB -0.310 28.404 28.738 -0.040 0.000 0.901 161 Q HN 0.637 nan 8.270 nan 0.000 0.429 162 T N -3.652 110.879 114.554 -0.039 0.000 3.035 162 T HA 0.084 4.434 4.350 0.000 0.000 0.268 162 T C 1.322 176.007 174.700 -0.024 0.000 1.109 162 T CA 1.039 63.122 62.100 -0.028 0.000 1.119 162 T CB 0.352 69.204 68.868 -0.028 0.000 0.900 162 T HN 0.460 nan 8.240 nan 0.000 0.503 163 G N 0.218 109.002 108.800 -0.028 0.000 2.273 163 G HA2 -0.101 3.859 3.960 0.000 0.000 0.162 163 G HA3 -0.101 3.859 3.960 0.000 0.000 0.162 163 G C -0.293 174.594 174.900 -0.021 0.000 1.006 163 G CA -0.044 45.043 45.100 -0.021 0.000 0.704 163 G HN 0.604 nan 8.290 nan 0.000 0.487 164 D N 1.052 121.436 120.400 -0.027 0.000 2.360 164 D HA 0.514 5.154 4.640 0.000 0.000 0.242 164 D C 0.178 176.470 176.300 -0.014 0.000 1.184 164 D CA 0.270 54.260 54.000 -0.015 0.000 0.930 164 D CB 0.659 41.455 40.800 -0.007 0.000 1.161 164 D HN 0.419 nan 8.370 nan 0.000 0.447 165 E N 0.424 120.624 120.200 0.001 0.000 2.241 165 E HA 0.329 4.679 4.350 0.000 0.000 0.263 165 E C -0.877 175.731 176.600 0.013 0.000 0.882 165 E CA -0.846 55.555 56.400 0.001 0.000 0.769 165 E CB 2.113 31.814 29.700 0.001 0.000 1.185 165 E HN 0.088 nan 8.360 nan 0.000 0.415 166 V N 3.372 123.290 119.914 0.006 0.000 2.555 166 V HA 0.010 4.130 4.120 0.000 0.000 0.286 166 V C 0.838 176.941 176.094 0.015 0.000 1.044 166 V CA 0.439 62.749 62.300 0.017 0.000 1.026 166 V CB 0.926 32.753 31.823 0.008 0.000 0.981 166 V HN 0.798 nan 8.190 nan 0.000 0.480 167 E N 2.913 123.129 120.200 0.026 0.000 2.256 167 E HA 0.217 4.567 4.350 0.000 0.000 0.198 167 E C -0.169 176.440 176.600 0.016 0.000 0.908 167 E CA 0.254 56.665 56.400 0.018 0.000 0.915 167 E CB 0.562 30.276 29.700 0.024 0.000 0.890 167 E HN 0.615 nan 8.360 nan 0.000 0.484 168 K N 0.844 121.261 120.400 0.030 0.000 2.525 168 K HA 0.428 4.748 4.320 0.000 0.000 0.254 168 K C -1.322 175.312 176.600 0.056 0.000 0.934 168 K CA -0.578 55.728 56.287 0.032 0.000 0.802 168 K CB 2.562 35.081 32.500 0.032 0.000 1.295 168 K HN -0.121 nan 8.250 nan 0.000 0.433 169 I N 1.782 122.390 120.570 0.063 0.000 2.530 169 I HA 0.422 4.592 4.170 0.000 0.000 0.297 169 I C -0.476 175.733 176.117 0.153 0.000 1.011 169 I CA -0.467 60.901 61.300 0.113 0.000 1.107 169 I CB 1.816 39.881 38.000 0.108 0.000 1.285 169 I HN 0.772 nan 8.210 nan 0.000 0.436 170 E N 2.661 122.998 120.200 0.228 0.000 2.335 170 E HA 0.684 5.034 4.350 0.000 0.000 0.280 170 E C -1.054 175.770 176.600 0.374 0.000 0.918 170 E CA -0.562 56.020 56.400 0.303 0.000 0.765 170 E CB 2.670 32.532 29.700 0.271 0.000 1.218 170 E HN 0.877 nan 8.360 nan 0.000 0.425 171 G N 2.361 111.340 108.800 0.298 0.000 2.349 171 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 171 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 171 G C -1.621 173.039 174.900 -0.400 0.000 1.380 171 G CA -0.843 44.107 45.100 -0.250 0.000 0.811 171 G HN 0.438 nan 8.290 nan 0.000 0.519 172 I N 0.501 120.623 120.570 -0.746 0.000 2.362 172 I HA 0.400 4.570 4.170 0.000 0.000 0.289 172 I C -0.612 175.237 176.117 -0.448 0.000 0.994 172 I CA -0.535 60.535 61.300 -0.382 0.000 1.158 172 I CB 1.338 39.118 38.000 -0.367 0.000 1.315 172 I HN 0.349 nan 8.210 nan 0.000 0.451 173 F N 3.664 123.629 119.950 0.025 0.000 2.791 173 F HA 0.275 4.802 4.527 0.000 0.000 0.308 173 F C 0.748 176.605 175.800 0.095 0.000 1.138 173 F CA -0.331 57.699 58.000 0.050 0.000 1.294 173 F CB 0.558 39.594 39.000 0.060 0.000 0.975 173 F HN 0.308 nan 8.300 nan 0.000 0.512 174 S N -0.391 115.456 115.700 0.246 0.000 2.647 174 S HA 0.568 5.038 4.470 0.000 0.000 0.300 174 S C 1.023 175.721 174.600 0.164 0.000 1.129 174 S CA -0.135 58.194 58.200 0.215 0.000 1.029 174 S CB 1.232 64.584 63.200 0.253 0.000 1.007 174 S HN 0.352 nan 8.310 nan 0.000 0.484 175 G N 2.857 111.734 108.800 0.127 0.000 2.404 175 G HA2 -0.115 3.845 3.960 0.000 0.000 0.215 175 G HA3 -0.115 3.845 3.960 0.000 0.000 0.215 175 G C 1.209 176.214 174.900 0.174 0.000 1.174 175 G CA 1.523 46.687 45.100 0.108 0.000 0.780 175 G HN 0.696 nan 8.290 nan 0.000 0.537 176 T N 1.429 116.081 114.554 0.164 0.000 2.746 176 T HA -0.023 4.327 4.350 0.000 0.000 0.267 176 T C 2.423 177.286 174.700 0.272 0.000 1.039 176 T CA 0.925 63.151 62.100 0.210 0.000 1.142 176 T CB -0.193 68.759 68.868 0.140 0.000 0.866 176 T HN 0.112 nan 8.240 nan 0.000 0.444 177 L N 0.731 122.102 121.223 0.246 0.000 2.027 177 L HA -0.075 4.265 4.340 0.000 0.000 0.206 177 L C 2.918 180.060 176.870 0.453 0.000 1.074 177 L CA 1.281 56.321 54.840 0.333 0.000 0.745 177 L CB -0.916 41.282 42.059 0.232 0.000 0.898 177 L HN 0.317 nan 8.230 nan 0.000 0.433 178 S N -0.246 115.648 115.700 0.324 0.000 2.359 178 S HA -0.323 4.147 4.470 0.000 0.000 0.223 178 S C 2.118 176.895 174.600 0.295 0.000 1.039 178 S CA 1.849 60.211 58.200 0.270 0.000 1.042 178 S CB -0.575 62.714 63.200 0.148 0.000 0.915 178 S HN 0.449 nan 8.310 nan 0.000 0.439 179 Y N 2.058 122.475 120.300 0.194 0.000 2.040 179 Y HA -0.218 4.332 4.550 0.000 0.000 0.275 179 Y C 2.012 178.010 175.900 0.163 0.000 1.171 179 Y CA 2.128 60.339 58.100 0.185 0.000 1.123 179 Y CB -0.832 37.767 38.460 0.231 0.000 0.963 179 Y HN 0.363 nan 8.280 nan 0.000 0.493 180 I N -0.860 119.737 120.570 0.044 0.000 2.118 180 I HA -0.385 3.785 4.170 0.000 0.000 0.241 180 I C 2.181 178.229 176.117 -0.116 0.000 1.070 180 I CA 1.986 63.194 61.300 -0.153 0.000 1.327 180 I CB -0.676 37.242 38.000 -0.136 0.000 1.034 180 I HN 0.163 nan 8.210 nan 0.000 0.405 181 F N 0.869 120.908 119.950 0.148 0.000 2.234 181 F HA -0.146 4.381 4.527 0.000 0.000 0.299 181 F C 2.356 178.245 175.800 0.148 0.000 1.087 181 F CA 1.085 59.239 58.000 0.256 0.000 1.340 181 F CB -0.657 38.507 39.000 0.273 0.000 1.031 181 F HN 0.116 nan 8.300 nan 0.000 0.500 182 N N 0.126 118.947 118.700 0.201 0.000 2.309 182 N HA -0.129 4.611 4.740 0.000 0.000 0.182 182 N C 1.556 177.064 175.510 -0.003 0.000 1.018 182 N CA 1.009 54.114 53.050 0.092 0.000 0.876 182 N CB -0.190 38.332 38.487 0.057 0.000 0.972 182 N HN 0.375 nan 8.380 nan 0.000 0.434 183 E N -0.865 119.271 120.200 -0.107 0.000 2.364 183 E HA 0.008 4.358 4.350 0.000 0.000 0.196 183 E C 1.247 177.847 176.600 -0.000 0.000 0.990 183 E CA 0.027 56.343 56.400 -0.141 0.000 0.886 183 E CB -0.007 29.470 29.700 -0.372 0.000 0.866 183 E HN 0.295 nan 8.360 nan 0.000 0.493 184 F N 1.309 121.194 119.950 -0.109 0.000 2.274 184 F HA 0.179 4.707 4.527 0.000 0.000 0.288 184 F C 0.975 176.795 175.800 0.032 0.000 1.069 184 F CA 0.406 58.373 58.000 -0.055 0.000 1.343 184 F CB 0.347 39.284 39.000 -0.104 0.000 1.089 184 F HN -0.283 nan 8.300 nan 0.000 0.517 185 S N 0.032 115.683 115.700 -0.082 0.000 2.454 185 S HA 0.605 5.075 4.470 0.000 0.000 0.306 185 S C -0.448 174.166 174.600 0.022 0.000 1.100 185 S CA 0.113 58.237 58.200 -0.126 0.000 1.087 185 S CB 0.972 64.220 63.200 0.079 0.000 1.019 185 S HN 0.513 nan 8.310 nan 0.000 0.480 186 T N 0.902 115.453 114.554 -0.004 0.000 2.665 186 T HA 0.377 4.727 4.350 0.000 0.000 0.303 186 T C 0.800 175.461 174.700 -0.067 0.000 1.334 186 T CA 0.230 62.336 62.100 0.009 0.000 1.011 186 T CB 0.527 69.374 68.868 -0.036 0.000 1.573 186 T HN 0.788 nan 8.240 nan 0.000 0.492 187 S N -0.059 115.493 115.700 -0.247 0.000 2.562 187 S HA 0.189 4.659 4.470 0.000 0.000 0.221 187 S C 0.469 174.735 174.600 -0.555 0.000 0.975 187 S CA 0.003 57.694 58.200 -0.849 0.000 0.918 187 S CB -0.361 62.357 63.200 -0.803 0.000 0.772 187 S HN 0.633 nan 8.310 nan 0.000 0.531 188 Q N 1.795 121.434 119.800 -0.269 0.000 2.398 188 Q HA 0.561 4.901 4.340 0.000 0.000 0.251 188 Q C -0.630 175.295 176.000 -0.124 0.000 0.999 188 Q CA -0.479 55.219 55.803 -0.174 0.000 0.874 188 Q CB 1.476 30.145 28.738 -0.115 0.000 1.215 188 Q HN 0.489 nan 8.270 nan 0.000 0.470 189 A N 4.133 126.893 122.820 -0.100 0.000 2.532 189 A HA -0.076 4.244 4.320 0.000 0.000 0.269 189 A C 0.069 177.618 177.584 -0.058 0.000 1.079 189 A CA 0.392 52.394 52.037 -0.059 0.000 0.800 189 A CB -0.294 18.688 19.000 -0.030 0.000 1.000 189 A HN 0.687 nan 8.150 nan 0.000 0.522 190 N N 1.094 119.751 118.700 -0.071 0.000 2.402 190 N HA 0.291 5.031 4.740 0.000 0.000 0.294 190 N C -0.717 174.768 175.510 -0.041 0.000 1.203 190 N CA -0.516 52.499 53.050 -0.058 0.000 0.838 190 N CB 1.941 40.384 38.487 -0.074 0.000 1.306 190 N HN 0.450 nan 8.380 nan 0.000 0.510 191 D N 0.210 120.602 120.400 -0.012 0.000 2.402 191 D HA 0.108 4.748 4.640 0.000 0.000 0.216 191 D C 0.008 176.338 176.300 0.049 0.000 1.128 191 D CA -0.012 53.997 54.000 0.015 0.000 0.833 191 D CB 0.288 41.096 40.800 0.014 0.000 0.971 191 D HN 0.386 nan 8.370 nan 0.000 0.503 192 V N -0.508 119.439 119.914 0.054 0.000 2.763 192 V HA 0.181 4.301 4.120 0.000 0.000 0.306 192 V C 0.306 176.557 176.094 0.261 0.000 1.059 192 V CA -0.494 61.878 62.300 0.119 0.000 1.138 192 V CB 0.590 32.487 31.823 0.124 0.000 0.940 192 V HN -0.088 nan 8.190 nan 0.000 0.489 193 K N 3.125 123.656 120.400 0.219 0.000 2.164 193 K HA 0.413 4.733 4.320 0.000 0.000 0.258 193 K C 0.283 176.950 176.600 0.112 0.000 0.951 193 K CA -0.653 55.777 56.287 0.238 0.000 0.844 193 K CB 1.704 34.271 32.500 0.111 0.000 1.099 193 K HN 0.571 nan 8.250 nan 0.000 0.435 194 F N 2.955 122.717 119.950 -0.314 0.000 2.045 194 F HA -0.364 4.163 4.527 -0.000 0.000 0.297 194 F C 2.410 178.004 175.800 -0.344 0.000 1.114 194 F CA 2.670 60.232 58.000 -0.730 0.000 1.207 194 F CB -0.488 38.048 39.000 -0.773 0.000 0.964 194 F HN 0.715 nan 8.300 nan 0.000 0.486 195 S N -0.483 115.110 115.700 -0.178 0.000 2.402 195 S HA -0.246 4.224 4.470 0.000 0.000 0.233 195 S C 1.852 176.322 174.600 -0.216 0.000 1.030 195 S CA 1.539 59.604 58.200 -0.226 0.000 1.003 195 S CB -0.880 62.268 63.200 -0.087 0.000 0.813 195 S HN 0.527 nan 8.310 nan 0.000 0.477 196 D N 1.322 121.638 120.400 -0.140 0.000 2.084 196 D HA -0.080 4.560 4.640 0.000 0.000 0.194 196 D C 2.244 178.466 176.300 -0.130 0.000 0.990 196 D CA 1.586 55.526 54.000 -0.100 0.000 0.826 196 D CB -0.713 40.063 40.800 -0.040 0.000 0.971 196 D HN 0.430 nan 8.370 nan 0.000 0.453 197 V N 0.656 120.467 119.914 -0.171 0.000 2.759 197 V HA -0.144 3.976 4.120 0.000 0.000 0.256 197 V C 2.059 178.033 176.094 -0.201 0.000 1.080 197 V CA 1.170 63.368 62.300 -0.170 0.000 1.101 197 V CB -0.177 31.535 31.823 -0.186 0.000 0.698 197 V HN -0.008 nan 8.190 nan 0.000 0.477 198 V N -0.000 119.703 119.914 -0.352 0.000 2.591 198 V HA -0.121 3.999 4.120 0.000 0.000 0.249 198 V C 2.590 178.601 176.094 -0.138 0.000 1.053 198 V CA 2.116 64.235 62.300 -0.302 0.000 1.068 198 V CB -0.723 30.826 31.823 -0.457 0.000 0.689 198 V HN 0.524 nan 8.190 nan 0.000 0.462 199 K N 0.053 120.373 120.400 -0.134 0.000 2.057 199 K HA -0.096 4.224 4.320 0.000 0.000 0.206 199 K C 2.064 178.628 176.600 -0.059 0.000 1.050 199 K CA 1.331 57.570 56.287 -0.080 0.000 0.935 199 K CB -0.275 32.178 32.500 -0.079 0.000 0.715 199 K HN 0.344 nan 8.250 nan 0.000 0.439 200 V N 1.236 121.116 119.914 -0.058 0.000 2.427 200 V HA -0.205 3.915 4.120 0.000 0.000 0.248 200 V C 2.292 178.330 176.094 -0.093 0.000 1.051 200 V CA 1.889 64.154 62.300 -0.058 0.000 1.048 200 V CB -0.678 31.126 31.823 -0.032 0.000 0.666 200 V HN 0.321 nan 8.190 nan 0.000 0.456 201 A N 0.447 123.251 122.820 -0.027 0.000 1.972 201 A HA -0.254 4.066 4.320 0.000 0.000 0.219 201 A C 2.229 179.778 177.584 -0.059 0.000 1.169 201 A CA 2.273 54.269 52.037 -0.068 0.000 0.635 201 A CB -0.412 18.658 19.000 0.117 0.000 0.810 201 A HN 0.498 nan 8.150 nan 0.000 0.446 202 K N 0.371 120.753 120.400 -0.031 0.000 2.076 202 K HA -0.029 4.291 4.320 0.000 0.000 0.204 202 K C 1.948 178.538 176.600 -0.018 0.000 1.051 202 K CA 1.903 58.186 56.287 -0.006 0.000 0.949 202 K CB -0.314 32.190 32.500 0.006 0.000 0.726 202 K HN 0.380 nan 8.250 nan 0.000 0.443 203 K N 0.192 120.567 120.400 -0.043 0.000 2.057 203 K HA -0.012 4.308 4.320 0.000 0.000 0.207 203 K C 1.599 178.169 176.600 -0.050 0.000 1.049 203 K CA 1.380 57.642 56.287 -0.042 0.000 0.931 203 K CB -0.076 32.394 32.500 -0.049 0.000 0.714 203 K HN 0.179 nan 8.250 nan 0.000 0.440 204 L N -0.155 120.998 121.223 -0.118 0.000 2.610 204 L HA 0.093 4.433 4.340 0.000 0.000 0.232 204 L C 1.187 178.113 176.870 0.094 0.000 1.149 204 L CA 0.530 55.292 54.840 -0.131 0.000 0.872 204 L CB -0.162 41.560 42.059 -0.562 0.000 0.992 204 L HN 0.588 nan 8.230 nan 0.000 0.447 205 G N -1.028 107.820 108.800 0.081 0.000 2.184 205 G HA2 -0.352 3.608 3.960 0.000 0.000 0.264 205 G HA3 -0.352 3.608 3.960 0.000 0.000 0.264 205 G C 0.384 175.392 174.900 0.181 0.000 0.975 205 G CA 0.143 45.315 45.100 0.120 0.000 0.642 205 G HN 0.332 nan 8.290 nan 0.000 0.536 206 Y N 1.163 121.373 120.300 -0.149 0.000 2.542 206 Y HA 0.451 5.001 4.550 0.000 0.000 0.326 206 Y C 1.608 177.449 175.900 -0.099 0.000 1.218 206 Y CA 0.667 58.651 58.100 -0.193 0.000 1.277 206 Y CB -0.232 37.948 38.460 -0.466 0.000 1.064 206 Y HN 0.262 nan 8.280 nan 0.000 0.499 207 T N -0.608 114.000 114.554 0.090 0.000 2.900 207 T HA 0.300 4.650 4.350 0.000 0.000 0.303 207 T C -0.332 174.394 174.700 0.042 0.000 1.142 207 T CA -0.846 61.291 62.100 0.062 0.000 1.007 207 T CB 1.285 70.186 68.868 0.055 0.000 1.156 207 T HN -0.166 nan 8.240 nan 0.000 0.490 208 E N 2.491 122.711 120.200 0.034 0.000 2.447 208 E HA 0.121 4.471 4.350 0.000 0.000 0.259 208 E C -1.564 175.048 176.600 0.020 0.000 1.196 208 E CA -1.412 55.002 56.400 0.024 0.000 0.995 208 E CB 0.290 29.999 29.700 0.014 0.000 0.974 208 E HN 0.407 nan 8.360 nan 0.000 0.465 209 P HA -0.111 nan 4.420 nan 0.000 0.215 209 P C 0.100 177.409 177.300 0.014 0.000 1.157 209 P CA 1.340 64.450 63.100 0.017 0.000 0.868 209 P CB 0.267 31.975 31.700 0.014 0.000 0.788 210 D N -1.685 118.711 120.400 -0.008 0.000 2.412 210 D HA 0.134 4.774 4.640 0.000 0.000 0.224 210 D C -1.964 174.293 176.300 -0.072 0.000 1.093 210 D CA -2.367 51.610 54.000 -0.038 0.000 0.850 210 D CB 1.046 41.802 40.800 -0.073 0.000 1.046 210 D HN -0.074 nan 8.370 nan 0.000 0.507 211 P HA -0.043 nan 4.420 nan 0.000 0.229 211 P C 1.190 178.389 177.300 -0.168 0.000 1.150 211 P CA 0.618 63.702 63.100 -0.027 0.000 0.765 211 P CB 0.267 32.044 31.700 0.129 0.000 0.783 212 R N -0.586 119.676 120.500 -0.397 0.000 2.115 212 R HA -0.073 4.267 4.340 0.000 0.000 0.226 212 R C 1.274 177.455 176.300 -0.198 0.000 1.100 212 R CA 1.039 56.868 56.100 -0.453 0.000 0.980 212 R CB -0.660 29.291 30.300 -0.582 0.000 0.875 212 R HN 0.237 nan 8.270 nan 0.000 0.445 213 D N 0.609 120.928 120.400 -0.135 0.000 2.309 213 D HA -0.120 4.520 4.640 0.000 0.000 0.212 213 D C 0.985 177.270 176.300 -0.025 0.000 0.968 213 D CA 1.157 55.120 54.000 -0.062 0.000 0.882 213 D CB 0.039 40.817 40.800 -0.037 0.000 0.918 213 D HN 0.243 nan 8.370 nan 0.000 0.503 214 D N -0.686 119.697 120.400 -0.027 0.000 2.463 214 D HA 0.085 4.725 4.640 0.000 0.000 0.237 214 D C 2.043 178.336 176.300 -0.012 0.000 1.013 214 D CA -0.012 53.992 54.000 0.008 0.000 0.910 214 D CB 0.333 41.151 40.800 0.030 0.000 1.080 214 D HN 0.204 nan 8.370 nan 0.000 0.498 215 L N 1.988 123.196 121.223 -0.025 0.000 2.610 215 L HA -0.045 4.295 4.340 0.000 0.000 0.232 215 L C 1.561 178.410 176.870 -0.036 0.000 1.149 215 L CA 0.364 55.194 54.840 -0.017 0.000 0.872 215 L CB -0.380 41.723 42.059 0.073 0.000 0.992 215 L HN 0.012 nan 8.230 nan 0.000 0.447 216 N N 0.006 118.689 118.700 -0.027 0.000 2.463 216 N HA -0.025 4.715 4.740 0.000 0.000 0.181 216 N C 1.468 177.022 175.510 0.072 0.000 1.078 216 N CA 0.925 53.978 53.050 0.005 0.000 0.902 216 N CB 0.075 38.552 38.487 -0.016 0.000 0.970 216 N HN 0.173 nan 8.380 nan 0.000 0.451 217 G N 0.197 109.053 108.800 0.094 0.000 2.267 217 G HA2 -0.351 3.609 3.960 0.000 0.000 0.257 217 G HA3 -0.351 3.609 3.960 0.000 0.000 0.257 217 G C 0.745 175.774 174.900 0.214 0.000 0.998 217 G CA 0.527 45.791 45.100 0.273 0.000 0.620 217 G HN 0.404 nan 8.290 nan 0.000 0.529 218 L N 1.503 122.794 121.223 0.113 0.000 2.051 218 L HA -0.018 4.322 4.340 0.000 0.000 0.214 218 L C 2.245 179.176 176.870 0.102 0.000 1.076 218 L CA 3.228 58.114 54.840 0.076 0.000 0.758 218 L CB -0.621 41.460 42.059 0.037 0.000 0.890 218 L HN 0.378 nan 8.230 nan 0.000 0.433 219 D N -1.195 119.275 120.400 0.118 0.000 2.104 219 D HA -0.175 4.465 4.640 0.000 0.000 0.194 219 D C 2.130 178.521 176.300 0.151 0.000 0.994 219 D CA 1.684 55.760 54.000 0.127 0.000 0.830 219 D CB -0.093 40.785 40.800 0.130 0.000 0.959 219 D HN 0.224 nan 8.370 nan 0.000 0.452 220 V N 0.762 120.800 119.914 0.207 0.000 2.407 220 V HA -0.184 3.936 4.120 0.000 0.000 0.248 220 V C 2.593 178.754 176.094 0.112 0.000 1.055 220 V CA 1.673 64.094 62.300 0.203 0.000 1.049 220 V CB -0.900 31.143 31.823 0.367 0.000 0.662 220 V HN 0.326 nan 8.190 nan 0.000 0.455 221 A N 0.317 123.244 122.820 0.178 0.000 1.940 221 A HA -0.231 4.090 4.320 0.000 0.000 0.219 221 A C 2.371 180.085 177.584 0.216 0.000 1.176 221 A CA 1.813 54.006 52.037 0.261 0.000 0.631 221 A CB -0.434 18.626 19.000 0.101 0.000 0.814 221 A HN 0.564 nan 8.150 nan 0.000 0.446 222 R N -0.255 120.316 120.500 0.119 0.000 2.073 222 R HA -0.056 4.284 4.340 0.000 0.000 0.229 222 R C 2.098 178.436 176.300 0.063 0.000 1.120 222 R CA 1.400 57.564 56.100 0.106 0.000 0.967 222 R CB -0.332 30.036 30.300 0.112 0.000 0.862 222 R HN 0.488 nan 8.270 nan 0.000 0.436 223 K N 0.606 121.003 120.400 -0.005 0.000 2.097 223 K HA -0.067 4.253 4.320 0.000 0.000 0.206 223 K C 2.032 178.452 176.600 -0.300 0.000 1.049 223 K CA 1.256 57.474 56.287 -0.115 0.000 0.933 223 K CB -0.035 32.365 32.500 -0.165 0.000 0.717 223 K HN -0.006 nan 8.250 nan 0.000 0.442 224 V N 1.001 120.683 119.914 -0.387 0.000 2.667 224 V HA -0.168 3.952 4.120 0.000 0.000 0.252 224 V C 1.984 177.913 176.094 -0.275 0.000 1.065 224 V CA 1.741 63.783 62.300 -0.431 0.000 1.083 224 V CB -0.453 31.113 31.823 -0.429 0.000 0.692 224 V HN 0.346 nan 8.190 nan 0.000 0.468 225 T N 0.198 114.684 114.554 -0.114 0.000 2.904 225 T HA 0.021 4.371 4.350 0.000 0.000 0.267 225 T C 1.795 176.386 174.700 -0.183 0.000 1.059 225 T CA 1.284 63.336 62.100 -0.080 0.000 1.137 225 T CB -0.131 68.785 68.868 0.080 0.000 0.879 225 T HN 0.349 nan 8.240 nan 0.000 0.467 226 I N 0.456 120.971 120.570 -0.091 0.000 2.277 226 I HA -0.082 4.088 4.170 0.000 0.000 0.243 226 I C 2.357 178.453 176.117 -0.034 0.000 1.094 226 I CA 0.831 62.123 61.300 -0.014 0.000 1.393 226 I CB -0.246 37.888 38.000 0.223 0.000 1.078 226 I HN 0.063 nan 8.210 nan 0.000 0.417 227 V N 1.065 120.943 119.914 -0.062 0.000 2.515 227 V HA -0.148 3.972 4.120 0.000 0.000 0.250 227 V C 2.573 178.614 176.094 -0.089 0.000 1.058 227 V CA 1.951 64.230 62.300 -0.034 0.000 1.064 227 V CB -1.280 30.526 31.823 -0.029 0.000 0.675 227 V HN 0.557 nan 8.190 nan 0.000 0.461 228 G N 0.021 108.717 108.800 -0.173 0.000 2.418 228 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 228 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 228 G C 1.781 176.558 174.900 -0.205 0.000 1.158 228 G CA 0.727 45.708 45.100 -0.197 0.000 0.771 228 G HN 0.432 nan 8.290 nan 0.000 0.545 229 R N -0.178 120.129 120.500 -0.321 0.000 2.066 229 R HA 0.116 4.456 4.340 0.000 0.000 0.232 229 R C 2.621 178.832 176.300 -0.147 0.000 1.131 229 R CA 0.953 56.801 56.100 -0.421 0.000 0.955 229 R CB -0.411 29.204 30.300 -1.141 0.000 0.851 229 R HN 0.361 nan 8.270 nan 0.000 0.432 230 I N 0.704 121.261 120.570 -0.022 0.000 2.194 230 I HA -0.309 3.862 4.170 0.000 0.000 0.246 230 I C 1.773 177.900 176.117 0.016 0.000 1.093 230 I CA 1.370 62.723 61.300 0.089 0.000 1.355 230 I CB -0.225 37.829 38.000 0.091 0.000 1.046 230 I HN 0.089 nan 8.210 nan 0.000 0.413 231 S N 0.208 115.896 115.700 -0.021 0.000 2.555 231 S HA 0.081 4.551 4.470 0.000 0.000 0.230 231 S C 1.426 176.010 174.600 -0.027 0.000 0.978 231 S CA 0.831 59.016 58.200 -0.024 0.000 0.934 231 S CB 0.057 63.238 63.200 -0.031 0.000 0.766 231 S HN 0.749 nan 8.310 nan 0.000 0.533 232 G N 0.653 109.433 108.800 -0.032 0.000 2.140 232 G HA2 -0.197 3.763 3.960 0.000 0.000 0.211 232 G HA3 -0.197 3.763 3.960 0.000 0.000 0.211 232 G C -0.193 174.680 174.900 -0.046 0.000 1.013 232 G CA -0.213 44.873 45.100 -0.024 0.000 0.705 232 G HN 0.409 nan 8.290 nan 0.000 0.508 233 V N 1.444 121.308 119.914 -0.083 0.000 2.284 233 V HA 0.321 4.441 4.120 0.000 0.000 0.274 233 V C 0.461 176.480 176.094 -0.124 0.000 1.023 233 V CA -1.136 61.109 62.300 -0.092 0.000 0.808 233 V CB 1.496 33.255 31.823 -0.106 0.000 1.035 233 V HN 0.335 nan 8.190 nan 0.000 0.445 234 E N 3.201 123.345 120.200 -0.093 0.000 2.710 234 E HA -0.014 4.336 4.350 0.000 0.000 0.299 234 E C 0.161 176.701 176.600 -0.099 0.000 1.132 234 E CA 0.049 56.387 56.400 -0.103 0.000 1.220 234 E CB 0.054 29.725 29.700 -0.049 0.000 1.058 234 E HN 0.474 nan 8.360 nan 0.000 0.472 235 V N 2.458 122.287 119.914 -0.142 0.000 2.493 235 V HA -0.107 4.013 4.120 0.000 0.000 0.292 235 V C 1.823 177.889 176.094 -0.045 0.000 1.016 235 V CA 0.250 62.505 62.300 -0.076 0.000 1.097 235 V CB 0.741 32.507 31.823 -0.095 0.000 0.947 235 V HN 0.418 nan 8.190 nan 0.000 0.479 236 E N 3.924 124.131 120.200 0.010 0.000 2.017 236 E HA -0.089 4.261 4.350 0.000 0.000 0.193 236 E C 0.922 177.526 176.600 0.008 0.000 0.997 236 E CA 1.438 57.841 56.400 0.005 0.000 0.804 236 E CB 0.178 29.886 29.700 0.014 0.000 0.757 236 E HN 0.983 nan 8.360 nan 0.000 0.448 237 S N -3.484 112.237 115.700 0.034 0.000 2.636 237 S HA 0.351 4.821 4.470 0.000 0.000 0.266 237 S C -2.571 172.030 174.600 0.002 0.000 1.147 237 S CA -0.859 57.350 58.200 0.014 0.000 0.815 237 S CB 1.145 64.332 63.200 -0.022 0.000 1.119 237 S HN -0.126 nan 8.310 nan 0.000 0.470 238 P HA 0.041 nan 4.420 nan 0.000 0.230 238 P C 1.344 178.315 177.300 -0.548 0.000 1.158 238 P CA 1.670 64.638 63.100 -0.220 0.000 0.769 238 P CB -0.157 31.499 31.700 -0.074 0.000 0.807 239 T N -4.732 109.619 114.554 -0.339 0.000 3.037 239 T HA 0.011 4.361 4.350 0.000 0.000 0.251 239 T C 1.795 176.317 174.700 -0.296 0.000 1.079 239 T CA 0.701 62.618 62.100 -0.306 0.000 1.067 239 T CB -0.949 67.826 68.868 -0.155 0.000 0.948 239 T HN 0.040 nan 8.240 nan 0.000 0.496 240 S N 0.861 116.415 115.700 -0.243 0.000 2.547 240 S HA 0.183 4.653 4.470 0.000 0.000 0.235 240 S C 0.343 174.942 174.600 -0.001 0.000 0.980 240 S CA -0.294 57.858 58.200 -0.080 0.000 0.941 240 S CB -0.959 62.255 63.200 0.023 0.000 0.763 240 S HN 0.707 nan 8.310 nan 0.000 0.532 241 F N -1.237 118.696 119.950 -0.028 0.000 2.650 241 F HA 0.858 5.385 4.527 0.000 0.000 0.320 241 F C -3.318 172.469 175.800 -0.022 0.000 1.091 241 F CA -3.287 54.696 58.000 -0.029 0.000 0.962 241 F CB -0.272 38.703 39.000 -0.041 0.000 1.363 241 F HN -0.306 nan 8.300 nan 0.000 0.482 242 P HA 0.282 nan 4.420 nan 0.000 0.267 242 P C -1.139 176.274 177.300 0.189 0.000 1.209 242 P CA -0.109 63.075 63.100 0.139 0.000 0.763 242 P CB 1.127 32.896 31.700 0.114 0.000 0.816 243 V N 3.915 123.868 119.914 0.066 0.000 2.612 243 V HA 0.321 4.441 4.120 0.000 0.000 0.301 243 V C -0.950 175.206 176.094 0.104 0.000 1.059 243 V CA -0.698 61.657 62.300 0.090 0.000 0.886 243 V CB 1.798 33.631 31.823 0.016 0.000 1.007 243 V HN 0.477 nan 8.190 nan 0.000 0.426 244 Q N 4.584 124.476 119.800 0.154 0.000 2.322 244 Q HA 0.491 4.831 4.340 0.000 0.000 0.256 244 Q C -0.231 175.959 176.000 0.316 0.000 0.960 244 Q CA -0.066 55.859 55.803 0.205 0.000 0.934 244 Q CB 1.321 30.174 28.738 0.192 0.000 1.200 244 Q HN 0.975 nan 8.270 nan 0.000 0.435 245 S N 4.192 119.999 115.700 0.179 0.000 2.545 245 S HA 0.245 4.715 4.470 0.000 0.000 0.275 245 S C 0.671 175.328 174.600 0.096 0.000 1.299 245 S CA -0.566 57.711 58.200 0.128 0.000 1.048 245 S CB 0.454 63.692 63.200 0.063 0.000 0.938 245 S HN 0.825 nan 8.310 nan 0.000 0.496 246 L N 4.836 126.092 121.223 0.055 0.000 2.611 246 L HA 0.343 4.683 4.340 0.000 0.000 0.229 246 L C -0.095 176.822 176.870 0.077 0.000 1.137 246 L CA 0.074 54.936 54.840 0.037 0.000 0.901 246 L CB -0.158 41.926 42.059 0.042 0.000 1.098 246 L HN 0.595 nan 8.230 nan 0.000 0.456 247 I N 1.586 122.193 120.570 0.061 0.000 2.337 247 I HA 0.181 4.352 4.170 0.000 0.000 0.291 247 I C -1.956 174.176 176.117 0.025 0.000 1.046 247 I CA -1.892 59.456 61.300 0.079 0.000 1.324 247 I CB 0.708 38.705 38.000 -0.005 0.000 1.409 247 I HN -0.194 nan 8.210 nan 0.000 0.494 248 P HA 0.040 nan 4.420 nan 0.000 0.265 248 P C 0.320 177.519 177.300 -0.170 0.000 1.193 248 P CA -0.081 62.905 63.100 -0.189 0.000 0.765 248 P CB 0.623 31.990 31.700 -0.556 0.000 0.823 249 K N 4.377 124.703 120.400 -0.124 0.000 2.034 249 K HA -0.183 4.137 4.320 0.000 0.000 0.214 249 K C -0.724 175.827 176.600 -0.082 0.000 1.051 249 K CA 2.111 58.355 56.287 -0.071 0.000 0.931 249 K CB -1.647 30.834 32.500 -0.031 0.000 0.715 249 K HN 0.489 nan 8.250 nan 0.000 0.446 250 P HA -0.157 nan 4.420 nan 0.000 0.218 250 P C 0.766 178.038 177.300 -0.046 0.000 1.146 250 P CA 1.202 64.264 63.100 -0.063 0.000 0.813 250 P CB 0.054 31.750 31.700 -0.006 0.000 0.778 251 L N -1.412 119.753 121.223 -0.096 0.000 2.592 251 L HA 0.111 4.451 4.340 0.000 0.000 0.227 251 L C 0.887 177.809 176.870 0.087 0.000 1.127 251 L CA -0.013 54.866 54.840 0.064 0.000 0.884 251 L CB -0.586 41.581 42.059 0.179 0.000 1.065 251 L HN 0.062 nan 8.230 nan 0.000 0.457 252 E N 0.318 120.526 120.200 0.012 0.000 2.392 252 E HA 0.033 4.383 4.350 0.000 0.000 0.259 252 E C 1.115 177.716 176.600 0.001 0.000 1.108 252 E CA 0.546 56.938 56.400 -0.013 0.000 0.916 252 E CB 0.514 30.201 29.700 -0.022 0.000 0.989 252 E HN 0.230 nan 8.360 nan 0.000 0.432 253 S N -1.405 114.287 115.700 -0.013 0.000 3.077 253 S HA -0.247 4.223 4.470 0.000 0.000 0.307 253 S C 0.374 174.984 174.600 0.017 0.000 1.291 253 S CA 0.859 59.058 58.200 -0.003 0.000 1.069 253 S CB -2.768 60.432 63.200 -0.001 0.000 1.218 253 S HN 0.616 nan 8.310 nan 0.000 0.699 254 V N -0.021 119.916 119.914 0.038 0.000 2.715 254 V HA 0.525 4.645 4.120 0.000 0.000 0.299 254 V C 1.492 177.614 176.094 0.046 0.000 1.054 254 V CA 0.045 62.379 62.300 0.057 0.000 1.077 254 V CB 1.264 33.147 31.823 0.100 0.000 0.972 254 V HN 0.612 nan 8.190 nan 0.000 0.484 255 K N 2.717 123.141 120.400 0.039 0.000 2.128 255 K HA 0.080 4.400 4.320 0.000 0.000 0.202 255 K C 1.284 177.906 176.600 0.037 0.000 1.050 255 K CA 0.905 57.209 56.287 0.028 0.000 0.966 255 K CB -0.073 32.438 32.500 0.020 0.000 0.759 255 K HN 0.672 nan 8.250 nan 0.000 0.454 256 S N 0.216 115.946 115.700 0.050 0.000 2.498 256 S HA 0.251 4.722 4.470 0.000 0.000 0.281 256 S C 1.030 175.682 174.600 0.087 0.000 1.265 256 S CA -0.007 58.226 58.200 0.055 0.000 1.071 256 S CB 1.076 64.307 63.200 0.051 0.000 0.894 256 S HN 0.415 nan 8.310 nan 0.000 0.491 257 A N 4.822 127.687 122.820 0.075 0.000 1.933 257 A HA -0.068 4.252 4.320 0.000 0.000 0.218 257 A C 1.822 179.504 177.584 0.163 0.000 1.175 257 A CA 1.631 53.735 52.037 0.111 0.000 0.628 257 A CB -0.561 18.475 19.000 0.061 0.000 0.814 257 A HN 0.880 nan 8.150 nan 0.000 0.444 258 D N -0.577 119.883 120.400 0.100 0.000 2.178 258 D HA -0.150 4.491 4.640 0.000 0.000 0.201 258 D C 1.816 178.159 176.300 0.072 0.000 0.980 258 D CA 1.315 55.361 54.000 0.078 0.000 0.842 258 D CB -0.290 40.537 40.800 0.045 0.000 0.948 258 D HN 0.724 nan 8.370 nan 0.000 0.472 259 E N -0.121 120.129 120.200 0.084 0.000 2.051 259 E HA -0.175 4.175 4.350 0.000 0.000 0.192 259 E C 2.004 178.651 176.600 0.077 0.000 0.991 259 E CA 0.438 56.880 56.400 0.069 0.000 0.799 259 E CB -0.155 29.590 29.700 0.074 0.000 0.748 259 E HN 0.184 nan 8.360 nan 0.000 0.449 260 F N 1.161 121.121 119.950 0.016 0.000 2.065 260 F HA -0.266 4.261 4.527 0.000 0.000 0.298 260 F C 1.988 177.801 175.800 0.023 0.000 1.112 260 F CA 1.366 59.376 58.000 0.017 0.000 1.212 260 F CB -0.475 38.527 39.000 0.003 0.000 0.975 260 F HN 0.083 nan 8.300 nan 0.000 0.476 261 L N 0.892 122.000 121.223 -0.192 0.000 2.046 261 L HA -0.156 4.185 4.340 0.000 0.000 0.208 261 L C 2.461 179.194 176.870 -0.229 0.000 1.077 261 L CA 2.198 56.864 54.840 -0.291 0.000 0.747 261 L CB -1.115 40.933 42.059 -0.018 0.000 0.896 261 L HN 0.359 nan 8.230 nan 0.000 0.432 262 E N -0.001 120.132 120.200 -0.113 0.000 2.070 262 E HA -0.262 4.088 4.350 0.000 0.000 0.197 262 E C 1.956 178.504 176.600 -0.086 0.000 1.004 262 E CA 1.867 58.222 56.400 -0.074 0.000 0.805 262 E CB -0.078 29.605 29.700 -0.028 0.000 0.744 262 E HN 0.438 nan 8.360 nan 0.000 0.451 263 K N -0.381 119.961 120.400 -0.097 0.000 2.400 263 K HA 0.048 4.368 4.320 0.000 0.000 0.194 263 K C 1.839 178.429 176.600 -0.016 0.000 1.033 263 K CA 0.329 56.597 56.287 -0.032 0.000 1.021 263 K CB 0.020 32.550 32.500 0.051 0.000 0.808 263 K HN 0.112 nan 8.250 nan 0.000 0.505 264 L N 1.904 122.995 121.223 -0.220 0.000 2.137 264 L HA -0.248 4.092 4.340 0.000 0.000 0.213 264 L C 2.008 178.896 176.870 0.030 0.000 1.085 264 L CA 1.934 56.654 54.840 -0.200 0.000 0.760 264 L CB -0.650 41.114 42.059 -0.491 0.000 0.893 264 L HN 0.183 nan 8.230 nan 0.000 0.434 265 S N -2.190 113.493 115.700 -0.028 0.000 2.474 265 S HA -0.121 4.349 4.470 0.000 0.000 0.235 265 S C 1.468 176.044 174.600 -0.040 0.000 0.997 265 S CA 0.848 59.038 58.200 -0.016 0.000 0.949 265 S CB -0.658 62.516 63.200 -0.042 0.000 0.766 265 S HN 0.503 nan 8.310 nan 0.000 0.517 266 D N 0.550 120.891 120.400 -0.098 0.000 2.378 266 D HA 0.018 4.658 4.640 0.000 0.000 0.227 266 D C -0.089 175.829 176.300 -0.637 0.000 1.012 266 D CA 0.749 54.521 54.000 -0.380 0.000 0.905 266 D CB -0.153 40.314 40.800 -0.555 0.000 0.895 266 D HN 0.663 nan 8.370 nan 0.000 0.532 267 Y N -0.286 120.007 120.300 -0.012 0.000 2.719 267 Y HA 0.174 4.724 4.550 0.000 0.000 0.251 267 Y C 1.222 177.126 175.900 0.007 0.000 1.159 267 Y CA -0.616 57.484 58.100 0.001 0.000 1.166 267 Y CB 0.661 39.124 38.460 0.005 0.000 1.219 267 Y HN -0.223 nan 8.280 nan 0.000 0.551 268 D N 0.873 121.330 120.400 0.095 0.000 2.264 268 D HA -0.147 4.493 4.640 0.000 0.000 0.208 268 D C 2.010 178.360 176.300 0.084 0.000 0.966 268 D CA 0.850 54.905 54.000 0.092 0.000 0.864 268 D CB 0.259 41.108 40.800 0.081 0.000 0.933 268 D HN 0.366 nan 8.370 nan 0.000 0.499 269 K N 0.981 121.417 120.400 0.059 0.000 2.044 269 K HA -0.212 4.108 4.320 0.000 0.000 0.210 269 K C 1.339 177.981 176.600 0.070 0.000 1.049 269 K CA 1.617 57.938 56.287 0.056 0.000 0.927 269 K CB 0.107 32.624 32.500 0.029 0.000 0.713 269 K HN -0.111 nan 8.250 nan 0.000 0.443 270 D N 0.581 121.022 120.400 0.068 0.000 2.092 270 D HA -0.148 4.492 4.640 0.000 0.000 0.193 270 D C 1.941 178.285 176.300 0.073 0.000 0.994 270 D CA 1.174 55.212 54.000 0.062 0.000 0.828 270 D CB -0.110 40.721 40.800 0.053 0.000 0.963 270 D HN 0.180 nan 8.370 nan 0.000 0.450 271 L N 0.120 121.377 121.223 0.056 0.000 2.093 271 L HA -0.142 4.198 4.340 0.000 0.000 0.208 271 L C 2.428 179.485 176.870 0.311 0.000 1.085 271 L CA 1.044 55.964 54.840 0.133 0.000 0.755 271 L CB -0.476 41.530 42.059 -0.088 0.000 0.904 271 L HN 0.079 nan 8.230 nan 0.000 0.435 272 T N -1.081 113.643 114.554 0.284 0.000 2.684 272 T HA -0.285 4.065 4.350 0.000 0.000 0.267 272 T C 1.800 176.581 174.700 0.136 0.000 1.036 272 T CA 1.695 63.942 62.100 0.244 0.000 1.148 272 T CB -0.109 68.865 68.868 0.177 0.000 0.863 272 T HN 0.232 nan 8.240 nan 0.000 0.436 273 Q N 0.498 120.363 119.800 0.109 0.000 2.084 273 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 273 Q C 2.054 178.101 176.000 0.078 0.000 0.978 273 Q CA 1.252 57.100 55.803 0.076 0.000 0.844 273 Q CB -0.661 28.114 28.738 0.062 0.000 0.898 273 Q HN 0.387 nan 8.270 nan 0.000 0.426 274 L N 0.443 121.728 121.223 0.104 0.000 2.093 274 L HA -0.032 4.308 4.340 0.000 0.000 0.208 274 L C 2.124 179.060 176.870 0.110 0.000 1.085 274 L CA 1.899 56.802 54.840 0.105 0.000 0.755 274 L CB -0.623 41.513 42.059 0.128 0.000 0.904 274 L HN 0.246 nan 8.230 nan 0.000 0.435 275 K N -0.742 119.732 120.400 0.125 0.000 2.057 275 K HA -0.152 4.168 4.320 0.000 0.000 0.206 275 K C 2.053 178.669 176.600 0.028 0.000 1.050 275 K CA 1.137 57.452 56.287 0.048 0.000 0.935 275 K CB 0.030 32.460 32.500 -0.116 0.000 0.715 275 K HN 0.203 nan 8.250 nan 0.000 0.439 276 K N 0.628 121.048 120.400 0.034 0.000 2.147 276 K HA -0.153 4.167 4.320 0.000 0.000 0.205 276 K C 1.942 178.564 176.600 0.036 0.000 1.049 276 K CA 1.372 57.678 56.287 0.032 0.000 0.936 276 K CB 0.012 32.532 32.500 0.033 0.000 0.722 276 K HN 0.346 nan 8.250 nan 0.000 0.446 277 E N 0.787 121.009 120.200 0.037 0.000 2.006 277 E HA -0.145 4.205 4.350 0.000 0.000 0.192 277 E C 2.142 178.751 176.600 0.014 0.000 0.993 277 E CA 0.933 57.348 56.400 0.025 0.000 0.808 277 E CB -0.190 29.526 29.700 0.026 0.000 0.764 277 E HN 0.257 nan 8.360 nan 0.000 0.449 278 A N 1.670 124.502 122.820 0.019 0.000 1.929 278 A HA -0.316 4.004 4.320 0.000 0.000 0.221 278 A C 2.392 179.959 177.584 -0.029 0.000 1.211 278 A CA 2.366 54.400 52.037 -0.005 0.000 0.657 278 A CB -1.018 18.000 19.000 0.029 0.000 0.827 278 A HN 0.347 nan 8.150 nan 0.000 0.462 279 A N -2.201 120.640 122.820 0.035 0.000 2.125 279 A HA -0.044 4.276 4.320 0.000 0.000 0.219 279 A C 2.148 179.757 177.584 0.043 0.000 1.156 279 A CA 2.080 54.175 52.037 0.096 0.000 0.671 279 A CB -1.077 18.029 19.000 0.176 0.000 0.794 279 A HN 0.452 nan 8.150 nan 0.000 0.459 280 T N -0.386 114.174 114.554 0.011 0.000 3.051 280 T HA -0.035 4.315 4.350 0.000 0.000 0.269 280 T C 0.980 175.662 174.700 -0.029 0.000 1.127 280 T CA 1.410 63.511 62.100 0.003 0.000 1.107 280 T CB -0.232 68.638 68.868 0.002 0.000 0.898 280 T HN 0.708 nan 8.240 nan 0.000 0.517 281 E N 0.593 120.747 120.200 -0.076 0.000 2.693 281 E HA 0.222 4.572 4.350 0.000 0.000 0.214 281 E C -0.109 176.353 176.600 -0.230 0.000 0.990 281 E CA -0.319 56.011 56.400 -0.116 0.000 1.047 281 E CB 0.450 30.083 29.700 -0.111 0.000 1.039 281 E HN 0.182 nan 8.360 nan 0.000 0.475 282 N N 2.055 120.569 118.700 -0.309 0.000 2.735 282 N HA -0.168 4.572 4.740 0.000 0.000 0.248 282 N C -0.916 173.761 175.510 -1.389 0.000 1.083 282 N CA 1.232 53.776 53.050 -0.842 0.000 0.703 282 N CB -0.764 37.499 38.487 -0.373 0.000 1.005 282 N HN 0.304 nan 8.380 nan 0.000 0.550 283 K N -0.255 119.660 120.400 -0.808 0.000 2.375 283 K HA 0.631 4.951 4.320 0.000 0.000 0.249 283 K C 0.264 176.798 176.600 -0.110 0.000 0.942 283 K CA -0.851 55.175 56.287 -0.435 0.000 0.806 283 K CB 2.572 34.938 32.500 -0.223 0.000 1.227 283 K HN 0.010 nan 8.250 nan 0.000 0.430 284 V N -0.421 119.546 119.914 0.089 0.000 2.966 284 V HA 0.576 4.696 4.120 0.000 0.000 0.317 284 V C -0.447 175.770 176.094 0.206 0.000 1.070 284 V CA -1.059 61.369 62.300 0.214 0.000 1.008 284 V CB 0.957 32.949 31.823 0.282 0.000 1.070 284 V HN 0.579 nan 8.190 nan 0.000 0.457 285 L N 3.292 124.667 121.223 0.252 0.000 2.309 285 L HA 0.804 5.144 4.340 0.000 0.000 0.282 285 L C 0.072 177.146 176.870 0.341 0.000 1.036 285 L CA -0.650 54.372 54.840 0.304 0.000 0.806 285 L CB 1.517 43.820 42.059 0.406 0.000 1.220 285 L HN 0.973 nan 8.230 nan 0.000 0.429 286 R N 2.146 122.720 120.500 0.123 0.000 2.604 286 R HA 0.327 4.667 4.340 0.000 0.000 0.261 286 R C -1.630 174.525 176.300 -0.242 0.000 1.080 286 R CA -0.856 55.130 56.100 -0.190 0.000 0.917 286 R CB 1.009 31.334 30.300 0.042 0.000 1.252 286 R HN 0.240 nan 8.270 nan 0.000 0.456 287 F N 4.012 123.506 119.950 -0.761 0.000 2.502 287 F HA 0.327 4.854 4.527 -0.000 0.000 0.371 287 F C -0.050 175.692 175.800 -0.096 0.000 1.083 287 F CA -0.260 57.517 58.000 -0.372 0.000 1.174 287 F CB 0.473 39.268 39.000 -0.341 0.000 1.096 287 F HN 0.558 nan 8.300 nan 0.000 0.545 288 I N 2.671 123.111 120.570 -0.217 0.000 3.239 288 I HA 0.963 5.133 4.170 0.000 0.000 0.314 288 I C -0.266 175.811 176.117 -0.066 0.000 1.126 288 I CA -0.974 60.311 61.300 -0.026 0.000 0.973 288 I CB 1.631 39.733 38.000 0.170 0.000 1.252 288 I HN 0.524 nan 8.210 nan 0.000 0.463 289 G N 0.874 109.788 108.800 0.189 0.000 2.498 289 G HA2 0.744 4.704 3.960 0.000 0.000 0.312 289 G HA3 0.744 4.704 3.960 0.000 0.000 0.312 289 G C -1.649 173.343 174.900 0.152 0.000 1.230 289 G CA -0.885 44.287 45.100 0.120 0.000 0.968 289 G HN 0.971 nan 8.290 nan 0.000 0.481 290 K N -0.387 120.013 120.400 -0.000 0.000 2.562 290 K HA 0.590 4.910 4.320 0.000 0.000 0.267 290 K C -1.954 174.594 176.600 -0.087 0.000 0.938 290 K CA -0.652 55.645 56.287 0.016 0.000 0.840 290 K CB 2.485 35.005 32.500 0.033 0.000 1.390 290 K HN 0.427 nan 8.250 nan 0.000 0.428 291 V N 1.955 121.840 119.914 -0.049 0.000 2.686 291 V HA 0.338 4.458 4.120 0.000 0.000 0.306 291 V C -1.445 174.622 176.094 -0.044 0.000 1.065 291 V CA -0.730 61.517 62.300 -0.090 0.000 0.894 291 V CB 1.826 33.587 31.823 -0.104 0.000 1.004 291 V HN 0.908 nan 8.190 nan 0.000 0.424 292 D N 2.453 122.820 120.400 -0.054 0.000 2.440 292 D HA 0.520 5.160 4.640 0.000 0.000 0.239 292 D C 0.572 176.848 176.300 -0.039 0.000 1.084 292 D CA -0.372 53.608 54.000 -0.033 0.000 0.843 292 D CB 2.138 42.920 40.800 -0.031 0.000 1.097 292 D HN 0.180 nan 8.370 nan 0.000 0.531 293 V N 3.776 123.673 119.914 -0.029 0.000 2.379 293 V HA -0.124 3.996 4.120 0.000 0.000 0.245 293 V C 2.413 178.492 176.094 -0.025 0.000 1.044 293 V CA 1.864 64.145 62.300 -0.031 0.000 1.036 293 V CB -0.750 31.061 31.823 -0.021 0.000 0.664 293 V HN 0.736 nan 8.190 nan 0.000 0.453 294 A N 0.836 123.645 122.820 -0.018 0.000 1.986 294 A HA -0.234 4.086 4.320 0.000 0.000 0.220 294 A C 2.281 179.854 177.584 -0.018 0.000 1.171 294 A CA 2.547 54.575 52.037 -0.015 0.000 0.640 294 A CB -0.757 18.237 19.000 -0.010 0.000 0.811 294 A HN 0.657 nan 8.150 nan 0.000 0.451 295 T N -5.074 109.467 114.554 -0.022 0.000 3.092 295 T HA 0.337 4.687 4.350 0.000 0.000 0.258 295 T C 0.422 175.104 174.700 -0.029 0.000 1.031 295 T CA 0.437 62.523 62.100 -0.023 0.000 0.925 295 T CB -0.054 68.801 68.868 -0.022 0.000 1.036 295 T HN 0.330 nan 8.240 nan 0.000 0.544 296 K N 1.134 121.511 120.400 -0.038 0.000 3.016 296 K HA -0.133 4.187 4.320 0.000 0.000 0.262 296 K C -0.452 176.112 176.600 -0.060 0.000 1.043 296 K CA 0.692 56.949 56.287 -0.050 0.000 0.761 296 K CB -2.506 29.972 32.500 -0.036 0.000 1.230 296 K HN 0.498 nan 8.250 nan 0.000 0.485 297 S N 0.444 116.104 115.700 -0.066 0.000 2.423 297 S HA 0.468 4.938 4.470 0.000 0.000 0.317 297 S C 0.169 174.690 174.600 -0.131 0.000 1.065 297 S CA -0.923 57.233 58.200 -0.073 0.000 1.111 297 S CB 1.330 64.501 63.200 -0.049 0.000 0.968 297 S HN 0.120 nan 8.310 nan 0.000 0.474 298 V N 3.060 122.850 119.914 -0.207 0.000 2.732 298 V HA 0.919 5.039 4.120 0.000 0.000 0.310 298 V C 0.084 175.960 176.094 -0.363 0.000 1.053 298 V CA -0.423 61.627 62.300 -0.416 0.000 0.957 298 V CB 1.850 33.209 31.823 -0.774 0.000 1.018 298 V HN 1.000 nan 8.190 nan 0.000 0.452 299 S N 1.873 117.352 115.700 -0.367 0.000 2.622 299 S HA 0.683 5.153 4.470 0.000 0.000 0.275 299 S C -1.292 173.270 174.600 -0.063 0.000 1.112 299 S CA -0.300 57.857 58.200 -0.072 0.000 0.837 299 S CB 1.396 64.584 63.200 -0.019 0.000 1.082 299 S HN 1.906 nan 8.310 nan 0.000 0.456 300 V N -1.157 118.773 119.914 0.026 0.000 2.888 300 V HA 1.067 5.187 4.120 0.000 0.000 0.309 300 V C 0.191 176.112 176.094 -0.289 0.000 1.114 300 V CA 0.485 62.695 62.300 -0.150 0.000 0.940 300 V CB 0.914 32.690 31.823 -0.078 0.000 1.021 300 V HN 2.490 nan 8.190 nan 0.000 0.426 301 G N 2.791 111.213 108.800 -0.630 0.000 2.344 301 G HA2 0.348 4.308 3.960 0.000 0.000 0.282 301 G HA3 0.348 4.308 3.960 0.000 0.000 0.282 301 G C -1.541 173.140 174.900 -0.364 0.000 1.281 301 G CA -0.563 44.247 45.100 -0.484 0.000 0.877 301 G HN 1.017 nan 8.290 nan 0.000 0.494 302 I N 1.040 121.592 120.570 -0.030 0.000 2.371 302 I HA 0.503 4.673 4.170 0.000 0.000 0.290 302 I C 0.087 176.204 176.117 -0.000 0.000 1.028 302 I CA -0.100 61.217 61.300 0.027 0.000 1.345 302 I CB 1.467 39.547 38.000 0.133 0.000 1.407 302 I HN 0.470 nan 8.210 nan 0.000 0.501 303 E N 5.746 125.955 120.200 0.015 0.000 2.336 303 E HA 0.460 4.810 4.350 0.000 0.000 0.267 303 E C -1.171 175.396 176.600 -0.054 0.000 0.906 303 E CA -0.888 55.474 56.400 -0.062 0.000 0.781 303 E CB 2.012 31.651 29.700 -0.102 0.000 1.261 303 E HN 0.464 nan 8.360 nan 0.000 0.436 304 K N 1.095 121.356 120.400 -0.231 0.000 2.207 304 K HA 0.550 4.870 4.320 0.000 0.000 0.255 304 K C -1.209 175.113 176.600 -0.463 0.000 0.941 304 K CA -0.759 55.437 56.287 -0.153 0.000 0.825 304 K CB 1.374 33.819 32.500 -0.091 0.000 1.119 304 K HN 0.310 nan 8.250 nan 0.000 0.430 305 Y N 0.880 121.107 120.300 -0.121 0.000 2.462 305 Y HA 0.127 4.677 4.550 -0.000 0.000 0.346 305 Y C -0.174 175.646 175.900 -0.134 0.000 0.976 305 Y CA -1.135 56.834 58.100 -0.218 0.000 1.044 305 Y CB 1.443 39.674 38.460 -0.381 0.000 1.230 305 Y HN 0.736 nan 8.280 nan 0.000 0.455 306 D N 1.351 121.744 120.400 -0.011 0.000 2.419 306 D HA -0.116 4.524 4.640 0.000 0.000 0.236 306 D C 0.537 176.879 176.300 0.071 0.000 1.165 306 D CA 0.067 54.022 54.000 -0.076 0.000 0.882 306 D CB 0.740 41.515 40.800 -0.043 0.000 1.201 306 D HN 0.771 nan 8.370 nan 0.000 0.443 307 Y N 0.125 120.479 120.300 0.091 0.000 2.365 307 Y HA -0.204 4.346 4.550 0.000 0.000 0.287 307 Y C 1.910 177.870 175.900 0.100 0.000 1.162 307 Y CA 0.910 59.063 58.100 0.088 0.000 1.260 307 Y CB -0.064 38.429 38.460 0.055 0.000 0.976 307 Y HN 0.321 nan 8.280 nan 0.000 0.548 308 S N -0.459 115.378 115.700 0.227 0.000 2.738 308 S HA 0.130 4.600 4.470 0.000 0.000 0.227 308 S C -0.565 174.135 174.600 0.166 0.000 1.311 308 S CA -0.588 57.711 58.200 0.164 0.000 1.249 308 S CB -0.430 62.838 63.200 0.114 0.000 1.030 308 S HN 0.295 nan 8.310 nan 0.000 0.512 309 H N 0.974 120.098 119.070 0.090 0.000 2.667 309 H HA 0.354 4.910 4.556 0.000 0.000 0.353 309 H C -2.693 172.680 175.328 0.075 0.000 1.072 309 H CA -1.693 54.389 56.048 0.056 0.000 1.214 309 H CB 2.469 32.279 29.762 0.081 0.000 1.600 309 H HN -0.035 nan 8.280 nan 0.000 0.527 310 P HA -0.190 nan 4.420 nan 0.000 0.218 310 P C 1.132 178.650 177.300 0.364 0.000 1.150 310 P CA 1.207 64.377 63.100 0.117 0.000 0.841 310 P CB -0.009 31.703 31.700 0.020 0.000 0.784 311 F N -0.925 119.149 119.950 0.206 0.000 2.451 311 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 311 F C 1.934 177.716 175.800 -0.029 0.000 1.101 311 F CA 0.126 58.097 58.000 -0.048 0.000 1.436 311 F CB -1.380 37.313 39.000 -0.513 0.000 1.074 311 F HN -0.116 nan 8.300 nan 0.000 0.553 312 A N -0.676 122.304 122.820 0.268 0.000 2.684 312 A HA 0.402 4.722 4.320 0.000 0.000 0.288 312 A C 1.138 178.813 177.584 0.151 0.000 1.337 312 A CA 0.624 52.783 52.037 0.205 0.000 0.946 312 A CB -0.825 18.327 19.000 0.252 0.000 1.093 312 A HN 0.175 nan 8.150 nan 0.000 0.543 313 S N -1.368 114.404 115.700 0.120 0.000 2.998 313 S HA 0.318 4.788 4.470 0.000 0.000 0.256 313 S C 0.177 174.808 174.600 0.053 0.000 0.970 313 S CA -0.370 57.879 58.200 0.080 0.000 1.238 313 S CB -0.848 62.397 63.200 0.075 0.000 1.170 313 S HN 0.265 nan 8.310 nan 0.000 0.663 314 L N 1.175 122.423 121.223 0.041 0.000 2.468 314 L HA 0.432 4.772 4.340 0.000 0.000 0.253 314 L C 1.406 178.304 176.870 0.046 0.000 1.237 314 L CA -0.717 54.136 54.840 0.021 0.000 0.823 314 L CB 0.172 42.224 42.059 -0.011 0.000 1.124 314 L HN 0.049 nan 8.230 nan 0.000 0.504 315 K N 0.494 120.928 120.400 0.056 0.000 2.274 315 K HA 0.245 4.565 4.320 0.000 0.000 0.219 315 K C 1.055 177.742 176.600 0.146 0.000 1.058 315 K CA 0.928 57.264 56.287 0.083 0.000 0.920 315 K CB -0.336 32.207 32.500 0.072 0.000 1.124 315 K HN 0.779 nan 8.250 nan 0.000 0.464 316 G N 0.197 109.107 108.800 0.183 0.000 2.560 316 G HA2 0.011 3.971 3.960 0.000 0.000 0.212 316 G HA3 0.011 3.971 3.960 0.000 0.000 0.212 316 G C 0.936 176.037 174.900 0.335 0.000 2.038 316 G CA 0.012 45.325 45.100 0.355 0.000 0.728 316 G HN 0.196 nan 8.290 nan 0.000 0.784 317 S N 1.167 116.975 115.700 0.181 0.000 2.593 317 S HA 0.154 4.624 4.470 0.000 0.000 0.217 317 S C -0.067 174.570 174.600 0.062 0.000 0.966 317 S CA -0.248 58.020 58.200 0.113 0.000 0.914 317 S CB -0.026 63.161 63.200 -0.021 0.000 0.776 317 S HN 0.342 nan 8.310 nan 0.000 0.523 318 D N 4.434 124.864 120.400 0.051 0.000 2.536 318 D HA 0.029 4.669 4.640 0.000 0.000 0.260 318 D C 0.131 176.401 176.300 -0.049 0.000 1.270 318 D CA 0.459 54.456 54.000 -0.005 0.000 0.934 318 D CB -0.147 40.652 40.800 -0.002 0.000 1.129 318 D HN 0.486 nan 8.370 nan 0.000 0.533 319 N N 0.668 119.315 118.700 -0.088 0.000 2.443 319 N HA 0.593 5.333 4.740 0.000 0.000 0.293 319 N C -0.675 174.665 175.510 -0.283 0.000 1.159 319 N CA -0.958 51.984 53.050 -0.180 0.000 0.904 319 N CB 1.360 39.766 38.487 -0.135 0.000 1.214 319 N HN 0.066 nan 8.380 nan 0.000 0.513 320 V N -2.549 117.079 119.914 -0.476 0.000 3.141 320 V HA 0.752 4.872 4.120 0.000 0.000 0.312 320 V C -0.626 175.096 176.094 -0.621 0.000 1.157 320 V CA -1.021 60.980 62.300 -0.498 0.000 1.041 320 V CB 1.637 33.118 31.823 -0.571 0.000 1.071 320 V HN 0.836 nan 8.190 nan 0.000 0.441 321 I N 1.040 121.399 120.570 -0.353 0.000 2.722 321 I HA 0.663 4.833 4.170 0.000 0.000 0.292 321 I C -0.987 175.146 176.117 0.026 0.000 1.267 321 I CA -0.086 61.091 61.300 -0.204 0.000 1.036 321 I CB 2.222 40.130 38.000 -0.153 0.000 1.281 321 I HN 0.946 nan 8.210 nan 0.000 0.423 322 S N 7.702 123.503 115.700 0.169 0.000 2.498 322 S HA 0.693 5.163 4.470 0.000 0.000 0.317 322 S C -0.922 173.748 174.600 0.117 0.000 1.090 322 S CA -0.545 57.751 58.200 0.160 0.000 1.089 322 S CB 0.758 64.088 63.200 0.218 0.000 0.997 322 S HN 0.443 nan 8.310 nan 0.000 0.470 323 I N 4.786 125.399 120.570 0.072 0.000 2.382 323 I HA 0.450 4.620 4.170 0.000 0.000 0.286 323 I C 0.064 176.222 176.117 0.069 0.000 1.002 323 I CA -0.612 60.736 61.300 0.079 0.000 1.135 323 I CB 1.577 39.638 38.000 0.101 0.000 1.288 323 I HN 0.381 nan 8.210 nan 0.000 0.448 324 K N 5.211 125.659 120.400 0.080 0.000 2.206 324 K HA 0.633 4.953 4.320 0.000 0.000 0.264 324 K C -0.473 176.186 176.600 0.099 0.000 0.967 324 K CA -0.267 56.076 56.287 0.094 0.000 0.844 324 K CB 1.857 34.400 32.500 0.070 0.000 1.099 324 K HN 0.804 nan 8.250 nan 0.000 0.441 325 T N -0.854 113.786 114.554 0.143 0.000 2.838 325 T HA 0.249 4.599 4.350 0.000 0.000 0.292 325 T C 0.991 175.748 174.700 0.095 0.000 1.113 325 T CA -0.877 61.294 62.100 0.119 0.000 1.008 325 T CB 1.358 70.325 68.868 0.163 0.000 1.259 325 T HN 0.615 nan 8.240 nan 0.000 0.520 326 K N 0.504 120.936 120.400 0.053 0.000 2.152 326 K HA -0.078 4.242 4.320 0.000 0.000 0.206 326 K C 2.030 178.634 176.600 0.006 0.000 1.048 326 K CA 0.946 57.248 56.287 0.024 0.000 0.933 326 K CB -0.101 32.403 32.500 0.008 0.000 0.721 326 K HN 0.495 nan 8.250 nan 0.000 0.447 327 R N -0.336 120.163 120.500 -0.002 0.000 2.100 327 R HA 0.034 4.374 4.340 0.000 0.000 0.220 327 R C 0.284 176.476 176.300 -0.181 0.000 1.091 327 R CA 0.624 56.659 56.100 -0.108 0.000 0.986 327 R CB -0.022 30.176 30.300 -0.170 0.000 0.888 327 R HN 0.169 nan 8.270 nan 0.000 0.444 328 Y N 1.524 121.840 120.300 0.026 0.000 2.632 328 Y HA 0.036 4.586 4.550 0.000 0.000 0.336 328 Y C 1.382 177.298 175.900 0.027 0.000 1.237 328 Y CA -0.132 57.991 58.100 0.038 0.000 1.595 328 Y CB 0.525 39.026 38.460 0.068 0.000 1.508 328 Y HN 0.042 nan 8.280 nan 0.000 0.480 329 T N 0.432 115.035 114.554 0.082 0.000 2.624 329 T HA -0.261 4.089 4.350 0.000 0.000 0.268 329 T C 0.585 175.334 174.700 0.083 0.000 1.041 329 T CA 1.383 63.519 62.100 0.060 0.000 1.159 329 T CB -0.258 68.624 68.868 0.023 0.000 0.863 329 T HN 0.549 nan 8.240 nan 0.000 0.434 330 N N 1.763 120.524 118.700 0.102 0.000 2.479 330 N HA 0.263 5.003 4.740 0.000 0.000 0.285 330 N C -2.838 172.749 175.510 0.128 0.000 1.075 330 N CA -1.756 51.346 53.050 0.086 0.000 0.967 330 N CB 1.337 39.862 38.487 0.064 0.000 1.137 330 N HN 0.093 nan 8.380 nan 0.000 0.472 331 P HA -0.056 nan 4.420 nan 0.000 0.267 331 P C -0.775 176.531 177.300 0.010 0.000 1.201 331 P CA -0.029 63.102 63.100 0.051 0.000 0.775 331 P CB 0.644 32.356 31.700 0.019 0.000 0.854 332 V N 3.711 123.585 119.914 -0.066 0.000 2.407 332 V HA 0.199 4.319 4.120 0.000 0.000 0.278 332 V C 0.033 176.066 176.094 -0.101 0.000 1.037 332 V CA -0.297 61.897 62.300 -0.176 0.000 0.900 332 V CB 1.565 33.164 31.823 -0.373 0.000 0.983 332 V HN 0.196 nan 8.190 nan 0.000 0.459 333 V N 7.281 127.138 119.914 -0.096 0.000 2.378 333 V HA 0.516 4.636 4.120 0.000 0.000 0.288 333 V C -0.197 175.836 176.094 -0.102 0.000 1.016 333 V CA -0.411 61.858 62.300 -0.051 0.000 0.840 333 V CB 1.530 33.351 31.823 -0.005 0.000 0.994 333 V HN 0.643 nan 8.190 nan 0.000 0.431 334 I N 5.524 126.024 120.570 -0.116 0.000 2.378 334 I HA 0.604 4.774 4.170 0.000 0.000 0.291 334 I C -0.177 175.863 176.117 -0.128 0.000 0.992 334 I CA -0.307 60.907 61.300 -0.144 0.000 1.154 334 I CB 1.757 39.650 38.000 -0.179 0.000 1.315 334 I HN 0.802 nan 8.210 nan 0.000 0.448 335 Q N 5.709 125.442 119.800 -0.112 0.000 2.416 335 Q HA 0.873 5.213 4.340 0.000 0.000 0.281 335 Q C -1.001 174.948 176.000 -0.086 0.000 1.067 335 Q CA -0.806 54.929 55.803 -0.113 0.000 0.809 335 Q CB 3.177 31.854 28.738 -0.102 0.000 1.418 335 Q HN 0.828 nan 8.270 nan 0.000 0.411 336 G N 0.345 109.096 108.800 -0.081 0.000 2.339 336 G HA2 0.453 4.413 3.960 0.000 0.000 0.302 336 G HA3 0.453 4.413 3.960 0.000 0.000 0.302 336 G C -1.208 173.663 174.900 -0.049 0.000 1.425 336 G CA -0.500 44.567 45.100 -0.054 0.000 0.899 336 G HN 1.018 nan 8.290 nan 0.000 0.619 337 A N -0.793 122.008 122.820 -0.032 0.000 2.598 337 A HA 0.466 4.787 4.320 0.000 0.000 0.239 337 A C 1.506 179.076 177.584 -0.025 0.000 1.032 337 A CA 1.688 53.708 52.037 -0.027 0.000 0.760 337 A CB 0.115 19.097 19.000 -0.030 0.000 0.946 337 A HN 2.339 nan 8.150 nan 0.000 0.512 338 G N 0.748 109.539 108.800 -0.015 0.000 3.519 338 G HA2 0.579 4.539 3.960 0.000 0.000 0.269 338 G HA3 0.579 4.539 3.960 0.000 0.000 0.269 338 G C 0.174 175.085 174.900 0.018 0.000 1.028 338 G CA 0.933 46.037 45.100 0.006 0.000 0.809 338 G HN 1.655 nan 8.290 nan 0.000 0.521 339 A N -1.065 121.751 122.820 -0.008 0.000 2.610 339 A HA 0.952 5.273 4.320 0.000 0.000 0.291 339 A C -0.129 177.424 177.584 -0.051 0.000 1.086 339 A CA -0.149 51.876 52.037 -0.019 0.000 0.677 339 A CB 1.244 20.227 19.000 -0.027 0.000 1.278 339 A HN 1.828 nan 8.150 nan 0.000 0.414 340 G N -1.457 107.313 108.800 -0.049 0.000 2.627 340 G HA2 0.526 4.486 3.960 0.000 0.000 0.680 340 G HA3 0.526 4.486 3.960 0.000 0.000 0.680 340 G C 0.461 175.351 174.900 -0.017 0.000 1.341 340 G CA 0.421 45.486 45.100 -0.058 0.000 0.835 340 G HN 2.124 nan 8.290 nan 0.000 0.643 341 A N 1.309 124.125 122.820 -0.007 0.000 1.858 341 A HA 0.337 4.657 4.320 0.000 0.000 0.216 341 A C 2.919 180.522 177.584 0.031 0.000 1.190 341 A CA 3.338 55.389 52.037 0.024 0.000 0.617 341 A CB -0.947 18.074 19.000 0.035 0.000 0.827 341 A HN 2.468 nan 8.150 nan 0.000 0.443 342 A N -0.625 122.205 122.820 0.016 0.000 1.851 342 A HA -0.053 4.267 4.320 0.000 0.000 0.216 342 A C 2.236 179.828 177.584 0.012 0.000 1.195 342 A CA 1.975 54.020 52.037 0.014 0.000 0.622 342 A CB -1.242 17.760 19.000 0.002 0.000 0.831 342 A HN 0.475 nan 8.150 nan 0.000 0.444 343 V N -0.012 119.903 119.914 0.002 0.000 2.380 343 V HA -0.262 3.858 4.120 0.000 0.000 0.251 343 V C 2.756 178.859 176.094 0.016 0.000 1.063 343 V CA 2.556 64.857 62.300 0.001 0.000 1.055 343 V CB -1.197 30.620 31.823 -0.010 0.000 0.657 343 V HN 0.664 nan 8.190 nan 0.000 0.455 344 T N 0.094 114.663 114.554 0.025 0.000 2.812 344 T HA -0.079 4.271 4.350 0.000 0.000 0.264 344 T C 2.052 176.791 174.700 0.065 0.000 1.042 344 T CA 1.385 63.509 62.100 0.040 0.000 1.140 344 T CB -0.402 68.491 68.868 0.042 0.000 0.870 344 T HN 0.570 nan 8.240 nan 0.000 0.445 345 A N 1.396 124.268 122.820 0.086 0.000 2.024 345 A HA 0.130 4.450 4.320 0.000 0.000 0.220 345 A C 2.563 180.240 177.584 0.156 0.000 1.164 345 A CA 1.761 53.895 52.037 0.162 0.000 0.643 345 A CB -0.910 18.184 19.000 0.157 0.000 0.806 345 A HN 0.507 nan 8.150 nan 0.000 0.451 346 A N -0.540 122.321 122.820 0.069 0.000 1.929 346 A HA 0.198 4.518 4.320 0.000 0.000 0.216 346 A C 2.366 179.978 177.584 0.046 0.000 1.176 346 A CA 1.678 53.736 52.037 0.034 0.000 0.628 346 A CB -1.226 17.776 19.000 0.004 0.000 0.816 346 A HN 0.672 nan 8.150 nan 0.000 0.444 347 G N -0.317 108.512 108.800 0.049 0.000 2.418 347 G HA2 -0.125 3.835 3.960 0.000 0.000 0.217 347 G HA3 -0.125 3.835 3.960 0.000 0.000 0.217 347 G C 1.500 176.434 174.900 0.058 0.000 1.158 347 G CA 1.310 46.435 45.100 0.041 0.000 0.771 347 G HN 0.309 nan 8.290 nan 0.000 0.545 348 V N 0.699 120.663 119.914 0.085 0.000 2.295 348 V HA -0.119 4.001 4.120 0.000 0.000 0.246 348 V C 2.657 178.844 176.094 0.155 0.000 1.049 348 V CA 1.536 63.884 62.300 0.079 0.000 1.024 348 V CB -0.496 31.342 31.823 0.024 0.000 0.648 348 V HN 0.325 nan 8.190 nan 0.000 0.447 349 L N 1.422 122.802 121.223 0.261 0.000 2.141 349 L HA 0.041 4.381 4.340 0.000 0.000 0.209 349 L C 2.290 179.186 176.870 0.043 0.000 1.094 349 L CA 2.132 57.099 54.840 0.211 0.000 0.763 349 L CB -1.289 40.776 42.059 0.011 0.000 0.908 349 L HN 0.272 nan 8.230 nan 0.000 0.437 350 G N -1.224 107.592 108.800 0.026 0.000 2.422 350 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 350 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 350 G C 1.265 176.144 174.900 -0.035 0.000 1.146 350 G CA 0.800 45.895 45.100 -0.008 0.000 0.769 350 G HN 0.377 nan 8.290 nan 0.000 0.547 351 D N -0.024 120.361 120.400 -0.025 0.000 2.178 351 D HA -0.045 4.595 4.640 0.000 0.000 0.202 351 D C 2.734 178.906 176.300 -0.215 0.000 0.974 351 D CA 0.315 54.234 54.000 -0.134 0.000 0.841 351 D CB -0.164 40.642 40.800 0.009 0.000 0.953 351 D HN 0.182 nan 8.370 nan 0.000 0.478 352 V N 0.856 120.743 119.914 -0.046 0.000 2.427 352 V HA -0.189 3.931 4.120 0.000 0.000 0.248 352 V C 2.390 178.528 176.094 0.072 0.000 1.051 352 V CA 1.014 63.332 62.300 0.030 0.000 1.048 352 V CB -0.260 31.655 31.823 0.153 0.000 0.666 352 V HN 0.211 nan 8.190 nan 0.000 0.456 353 I N -0.484 120.100 120.570 0.023 0.000 2.252 353 I HA -0.213 3.957 4.170 0.000 0.000 0.245 353 I C 2.524 178.635 176.117 -0.010 0.000 1.102 353 I CA 1.496 62.839 61.300 0.071 0.000 1.385 353 I CB -0.372 37.627 38.000 -0.002 0.000 1.064 353 I HN 0.251 nan 8.210 nan 0.000 0.414 354 K N 0.706 121.022 120.400 -0.140 0.000 2.097 354 K HA -0.099 4.221 4.320 0.000 0.000 0.205 354 K C 2.095 178.500 176.600 -0.325 0.000 1.050 354 K CA 1.303 57.454 56.287 -0.226 0.000 0.938 354 K CB -0.122 32.206 32.500 -0.287 0.000 0.718 354 K HN 0.311 nan 8.250 nan 0.000 0.442 355 I N 1.221 121.540 120.570 -0.419 0.000 2.113 355 I HA -0.264 3.906 4.170 0.000 0.000 0.238 355 I C 2.533 178.621 176.117 -0.049 0.000 1.070 355 I CA 1.215 62.355 61.300 -0.267 0.000 1.332 355 I CB -0.474 37.438 38.000 -0.147 0.000 1.044 355 I HN 0.118 nan 8.210 nan 0.000 0.402 356 A N 0.008 122.819 122.820 -0.015 0.000 2.076 356 A HA -0.241 4.079 4.320 0.000 0.000 0.220 356 A C 2.176 179.734 177.584 -0.044 0.000 1.160 356 A CA 1.480 53.494 52.037 -0.038 0.000 0.653 356 A CB -0.572 18.352 19.000 -0.127 0.000 0.801 356 A HN 0.544 nan 8.150 nan 0.000 0.455 357 Q N -1.041 118.739 119.800 -0.033 0.000 2.311 357 Q HA -0.005 4.335 4.340 0.000 0.000 0.203 357 Q C 1.923 177.906 176.000 -0.028 0.000 0.954 357 Q CA 0.726 56.512 55.803 -0.029 0.000 0.885 357 Q CB 0.007 28.730 28.738 -0.025 0.000 0.963 357 Q HN 0.623 nan 8.270 nan 0.000 0.471 358 R N -0.365 120.111 120.500 -0.039 0.000 2.246 358 R HA 0.151 4.491 4.340 0.000 0.000 0.199 358 R C 0.511 176.906 176.300 0.158 0.000 0.984 358 R CA 0.151 56.244 56.100 -0.013 0.000 1.015 358 R CB 0.306 30.433 30.300 -0.287 0.000 0.930 358 R HN 0.125 nan 8.270 nan 0.000 0.475 359 L N 0.000 121.305 121.223 0.136 0.000 2.949 359 L HA 0.000 4.340 4.340 0.000 0.000 0.249 359 L CA 0.000 54.907 54.840 0.112 0.000 0.813 359 L CB 0.000 42.104 42.059 0.075 0.000 0.961 359 L HN 0.000 nan 8.230 nan 0.000 0.502