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 3itb_1_C DATA FIRST_RESID 6 DATA SEQUENCE VEAPSVDARA WILMDYASGK VLAEGNADEK LDPASLTKIM TSYVVGQALK DATA SEQUENCE ADKIKLTDMV TVGKDAWATG NPALRGSSVM FLKPGDQVSV ADLNKGVIIQ DATA SEQUENCE SGNDACIALA DYVAGSQESF IGLMNGYAKK LGLTNTTFQT VHGLDAPGQF DATA SEQUENCE STARDMALLG KALIHDVPEE YAIHKEKEFT FNKIRQPNRN RLLWSSNLNV DATA SEQUENCE DGMKTGTTAG AGYNLVASAT QGDMRLISVV LGAKTDRIRF NESEKLLTWG DATA SEQUENCE FRFFETVTPI KPDATFVTQR VWFGDKSEVN LGAGEAGSVT IPRGQLKNLK DATA SEQUENCE ASYTLTEPQL TAPLKKGQVV GTIDFQLNGK SIEQRPLIVM ENVEEGG 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 176.089 176.094 -0.008 0.000 1.182 6 V CA 0.000 62.182 62.300 -0.196 0.000 1.235 6 V CB 0.000 31.592 31.823 -0.384 0.000 1.184 7 E N 2.530 122.746 120.200 0.028 0.000 2.283 7 E HA 0.784 5.134 4.350 -0.001 0.000 0.271 7 E C 0.459 177.127 176.600 0.114 0.000 1.031 7 E CA -0.176 56.274 56.400 0.082 0.000 0.868 7 E CB 1.398 31.113 29.700 0.023 0.000 1.094 7 E HN 0.964 nan 8.360 nan 0.000 0.401 8 A N 2.936 125.758 122.820 0.003 0.000 2.498 8 A HA 0.278 4.597 4.320 -0.001 0.000 0.239 8 A C -2.018 175.345 177.584 -0.368 0.000 1.068 8 A CA -0.979 50.910 52.037 -0.247 0.000 0.766 8 A CB -0.573 18.378 19.000 -0.082 0.000 1.003 8 A HN 0.371 nan 8.150 nan 0.000 0.497 9 P HA 0.256 nan 4.420 nan 0.000 0.271 9 P C -0.291 176.827 177.300 -0.302 0.000 1.218 9 P CA -0.206 62.597 63.100 -0.494 0.000 0.780 9 P CB 0.758 32.076 31.700 -0.636 0.000 0.901 10 S N 0.573 116.129 115.700 -0.239 0.000 2.610 10 S HA 0.554 5.023 4.470 -0.001 0.000 0.273 10 S C -0.042 174.280 174.600 -0.464 0.000 1.274 10 S CA -0.738 57.314 58.200 -0.247 0.000 1.023 10 S CB 1.205 64.322 63.200 -0.139 0.000 0.962 10 S HN 0.500 nan 8.310 nan 0.000 0.523 11 V N -0.305 119.149 119.914 -0.767 0.000 2.888 11 V HA 0.562 4.681 4.120 -0.001 0.000 0.309 11 V C -1.578 174.163 176.094 -0.589 0.000 1.114 11 V CA -0.888 60.928 62.300 -0.807 0.000 0.940 11 V CB 2.172 33.269 31.823 -1.210 0.000 1.021 11 V HN 0.889 nan 8.190 nan 0.000 0.426 12 D N 4.358 124.567 120.400 -0.317 0.000 2.639 12 D HA 0.724 5.364 4.640 -0.001 0.000 0.233 12 D C -0.057 176.189 176.300 -0.090 0.000 1.161 12 D CA 0.816 54.723 54.000 -0.154 0.000 1.003 12 D CB 0.269 41.010 40.800 -0.097 0.000 1.034 12 D HN 1.165 nan 8.370 nan 0.000 0.514 13 A N 2.267 125.056 122.820 -0.051 0.000 2.609 13 A HA 0.470 4.790 4.320 -0.001 0.000 0.291 13 A C 0.909 178.617 177.584 0.207 0.000 1.096 13 A CA -0.744 51.336 52.037 0.070 0.000 0.684 13 A CB 1.283 20.324 19.000 0.069 0.000 1.282 13 A HN 0.263 nan 8.150 nan 0.000 0.412 14 R N -0.032 120.571 120.500 0.172 0.000 2.066 14 R HA 0.173 4.513 4.340 -0.001 0.000 0.232 14 R C 0.766 177.179 176.300 0.188 0.000 1.131 14 R CA 1.754 57.948 56.100 0.156 0.000 0.955 14 R CB -0.051 30.301 30.300 0.086 0.000 0.851 14 R HN 0.872 nan 8.270 nan 0.000 0.432 15 A N -0.007 122.944 122.820 0.218 0.000 2.539 15 A HA 0.590 4.909 4.320 -0.001 0.000 0.296 15 A C -1.825 175.969 177.584 0.350 0.000 1.073 15 A CA -0.759 51.368 52.037 0.149 0.000 0.700 15 A CB 0.972 19.972 19.000 0.001 0.000 1.296 15 A HN 0.395 nan 8.150 nan 0.000 0.405 16 W N 0.013 121.302 121.300 -0.018 0.000 3.074 16 W HA 0.827 5.486 4.660 -0.001 0.000 0.332 16 W C -1.831 174.676 176.519 -0.021 0.000 1.253 16 W CA -0.823 56.512 57.345 -0.017 0.000 1.180 16 W CB 0.947 30.391 29.460 -0.025 0.000 1.445 16 W HN 0.744 nan 8.180 nan 0.000 0.573 17 I N 2.131 122.803 120.570 0.171 0.000 2.918 17 I HA 0.597 4.766 4.170 -0.001 0.000 0.301 17 I C -1.967 174.239 176.117 0.148 0.000 1.312 17 I CA -1.323 60.016 61.300 0.066 0.000 1.007 17 I CB 2.231 40.222 38.000 -0.014 0.000 1.281 17 I HN 0.642 nan 8.210 nan 0.000 0.440 18 L N 7.331 128.624 121.223 0.116 0.000 2.381 18 L HA 0.685 5.024 4.340 -0.001 0.000 0.274 18 L C -1.322 175.564 176.870 0.026 0.000 0.988 18 L CA -0.166 54.729 54.840 0.091 0.000 0.824 18 L CB 1.531 43.673 42.059 0.139 0.000 1.263 18 L HN 0.697 nan 8.230 nan 0.000 0.410 19 M N 4.309 123.913 119.600 0.007 0.000 2.457 19 M HA 0.403 4.882 4.480 -0.001 0.000 0.300 19 M C -1.407 174.878 176.300 -0.025 0.000 1.141 19 M CA -0.582 54.707 55.300 -0.019 0.000 0.901 19 M CB 1.751 34.349 32.600 -0.003 0.000 1.687 19 M HN 0.762 nan 8.290 nan 0.000 0.449 20 D N 2.326 122.696 120.400 -0.049 0.000 2.302 20 D HA 0.016 4.655 4.640 -0.001 0.000 0.248 20 D C -0.188 176.132 176.300 0.034 0.000 1.094 20 D CA -0.028 53.958 54.000 -0.022 0.000 0.897 20 D CB 1.080 41.846 40.800 -0.057 0.000 1.200 20 D HN 0.777 nan 8.370 nan 0.000 0.429 21 Y N 3.866 124.142 120.300 -0.041 0.000 2.243 21 Y HA 0.050 4.599 4.550 -0.001 0.000 0.293 21 Y C 2.019 177.895 175.900 -0.040 0.000 1.124 21 Y CA 1.808 59.886 58.100 -0.038 0.000 1.159 21 Y CB -0.280 38.165 38.460 -0.025 0.000 1.008 21 Y HN 0.497 nan 8.280 nan 0.000 0.527 22 A N -0.306 122.438 122.820 -0.127 0.000 1.933 22 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 22 A C 2.359 179.827 177.584 -0.194 0.000 1.175 22 A CA 2.308 54.219 52.037 -0.209 0.000 0.628 22 A CB -1.069 17.903 19.000 -0.048 0.000 0.814 22 A HN 0.590 nan 8.150 nan 0.000 0.444 23 S N -3.402 112.218 115.700 -0.133 0.000 2.527 23 S HA 0.412 4.881 4.470 -0.001 0.000 0.227 23 S C 1.535 176.074 174.600 -0.101 0.000 1.059 23 S CA 1.190 59.325 58.200 -0.109 0.000 0.919 23 S CB 0.082 63.228 63.200 -0.089 0.000 0.805 23 S HN 1.906 nan 8.310 nan 0.000 0.500 24 G N 1.295 110.034 108.800 -0.102 0.000 2.176 24 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.253 24 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.253 24 G C 0.034 174.896 174.900 -0.063 0.000 0.979 24 G CA 0.359 45.411 45.100 -0.081 0.000 0.641 24 G HN 0.806 nan 8.290 nan 0.000 0.530 25 K N 0.929 121.288 120.400 -0.068 0.000 2.447 25 K HA 0.426 4.746 4.320 -0.001 0.000 0.281 25 K C 0.563 177.115 176.600 -0.081 0.000 1.031 25 K CA -0.102 56.143 56.287 -0.070 0.000 1.019 25 K CB 0.686 33.136 32.500 -0.083 0.000 0.918 25 K HN 0.152 nan 8.250 nan 0.000 0.476 26 V N 8.185 128.059 119.914 -0.066 0.000 2.356 26 V HA 0.050 4.169 4.120 -0.001 0.000 0.258 26 V C 1.170 177.222 176.094 -0.069 0.000 1.065 26 V CA -0.109 62.156 62.300 -0.059 0.000 0.935 26 V CB 0.376 32.170 31.823 -0.048 0.000 1.061 26 V HN 0.812 nan 8.190 nan 0.000 0.484 27 L N 3.780 124.952 121.223 -0.085 0.000 2.209 27 L HA 0.333 4.672 4.340 -0.001 0.000 0.207 27 L C 1.037 177.970 176.870 0.105 0.000 1.094 27 L CA 1.032 55.808 54.840 -0.107 0.000 0.790 27 L CB -0.003 41.913 42.059 -0.238 0.000 0.932 27 L HN 0.738 nan 8.230 nan 0.000 0.447 28 A N 0.210 123.082 122.820 0.087 0.000 2.594 28 A HA 0.676 4.995 4.320 -0.001 0.000 0.295 28 A C -1.258 176.346 177.584 0.033 0.000 1.071 28 A CA -0.478 51.603 52.037 0.075 0.000 0.685 28 A CB 1.597 20.614 19.000 0.030 0.000 1.285 28 A HN 0.159 nan 8.150 nan 0.000 0.405 29 E N 0.182 120.336 120.200 -0.077 0.000 2.401 29 E HA 0.649 4.999 4.350 -0.001 0.000 0.280 29 E C -0.544 175.479 176.600 -0.962 0.000 1.039 29 E CA -0.788 55.337 56.400 -0.458 0.000 0.814 29 E CB 1.663 31.187 29.700 -0.294 0.000 1.275 29 E HN 1.544 nan 8.360 nan 0.000 0.448 30 G N 1.093 108.831 108.800 -1.769 0.000 2.753 30 G HA2 0.377 4.337 3.960 -0.001 0.000 0.297 30 G HA3 0.377 4.337 3.960 -0.001 0.000 0.297 30 G C -0.480 173.858 174.900 -0.936 0.000 1.430 30 G CA -0.823 43.347 45.100 -1.550 0.000 1.040 30 G HN 0.539 nan 8.290 nan 0.000 0.530 31 N N -0.363 118.035 118.700 -0.504 0.000 2.686 31 N HA -0.275 4.465 4.740 -0.001 0.000 0.249 31 N C 1.629 176.992 175.510 -0.244 0.000 1.082 31 N CA 1.047 53.927 53.050 -0.284 0.000 0.725 31 N CB -0.826 37.546 38.487 -0.191 0.000 1.009 31 N HN 1.056 nan 8.380 nan 0.000 0.545 32 A N -0.411 122.238 122.820 -0.284 0.000 2.225 32 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 32 A C 1.285 178.795 177.584 -0.124 0.000 1.164 32 A CA 1.238 53.154 52.037 -0.202 0.000 0.710 32 A CB 0.145 19.020 19.000 -0.209 0.000 0.780 32 A HN 0.312 nan 8.150 nan 0.000 0.473 33 D N -0.946 119.382 120.400 -0.121 0.000 2.479 33 D HA 0.077 4.717 4.640 -0.001 0.000 0.218 33 D C 0.083 176.326 176.300 -0.094 0.000 1.177 33 D CA -0.142 53.803 54.000 -0.092 0.000 0.830 33 D CB 0.246 40.994 40.800 -0.087 0.000 1.014 33 D HN 0.657 nan 8.370 nan 0.000 0.503 34 E N 1.845 121.988 120.200 -0.096 0.000 2.316 34 E HA 0.074 4.424 4.350 -0.001 0.000 0.275 34 E C -0.309 176.244 176.600 -0.079 0.000 1.029 34 E CA -0.350 55.995 56.400 -0.092 0.000 0.871 34 E CB 0.773 30.425 29.700 -0.080 0.000 1.022 34 E HN -0.149 nan 8.360 nan 0.000 0.418 35 K N 4.580 124.907 120.400 -0.122 0.000 2.412 35 K HA 0.214 4.533 4.320 -0.001 0.000 0.284 35 K C -0.478 176.095 176.600 -0.045 0.000 1.046 35 K CA 0.267 56.478 56.287 -0.126 0.000 0.999 35 K CB 0.390 32.652 32.500 -0.396 0.000 0.941 35 K HN 0.412 nan 8.250 nan 0.000 0.474 36 L N 1.425 122.672 121.223 0.040 0.000 2.415 36 L HA 0.244 4.584 4.340 -0.001 0.000 0.256 36 L C -0.549 176.378 176.870 0.095 0.000 1.010 36 L CA -1.249 53.621 54.840 0.052 0.000 0.826 36 L CB 1.913 43.993 42.059 0.036 0.000 1.405 36 L HN 0.518 nan 8.230 nan 0.000 0.410 37 D N 2.362 122.808 120.400 0.077 0.000 2.417 37 D HA 0.093 4.733 4.640 -0.001 0.000 0.250 37 D C -1.672 174.677 176.300 0.082 0.000 1.166 37 D CA -1.359 52.691 54.000 0.083 0.000 0.881 37 D CB 1.288 42.121 40.800 0.056 0.000 1.164 37 D HN 0.205 nan 8.370 nan 0.000 0.467 38 P HA 0.060 nan 4.420 nan 0.000 0.226 38 P C 0.493 177.862 177.300 0.116 0.000 1.161 38 P CA 0.969 64.143 63.100 0.123 0.000 0.804 38 P CB 0.053 31.860 31.700 0.178 0.000 0.829 39 A N 0.434 123.318 122.820 0.106 0.000 5.695 39 A HA -0.271 4.048 4.320 -0.001 0.000 0.297 39 A C 1.825 179.481 177.584 0.120 0.000 1.947 39 A CA 1.688 53.780 52.037 0.092 0.000 0.717 39 A CB -2.405 16.625 19.000 0.050 0.000 1.252 39 A HN 0.185 nan 8.150 nan 0.000 0.378 40 S N 0.017 115.782 115.700 0.107 0.000 2.500 40 S HA 0.002 4.472 4.470 -0.001 0.000 0.239 40 S C 1.659 176.337 174.600 0.130 0.000 0.989 40 S CA 1.260 59.531 58.200 0.118 0.000 0.951 40 S CB -0.605 62.660 63.200 0.109 0.000 0.759 40 S HN 0.505 nan 8.310 nan 0.000 0.523 41 L N 1.014 122.319 121.223 0.136 0.000 2.187 41 L HA -0.147 4.193 4.340 -0.001 0.000 0.213 41 L C 2.439 179.411 176.870 0.169 0.000 1.100 41 L CA 1.102 56.032 54.840 0.151 0.000 0.765 41 L CB -1.446 40.703 42.059 0.150 0.000 0.904 41 L HN 0.320 nan 8.230 nan 0.000 0.437 42 T N -0.259 114.406 114.554 0.185 0.000 2.778 42 T HA -0.226 4.124 4.350 -0.001 0.000 0.269 42 T C 1.738 176.436 174.700 -0.004 0.000 1.050 42 T CA 1.331 63.512 62.100 0.135 0.000 1.137 42 T CB -0.157 68.807 68.868 0.160 0.000 0.860 42 T HN 0.371 nan 8.240 nan 0.000 0.468 43 K N 0.333 120.775 120.400 0.070 0.000 2.504 43 K HA 0.170 4.489 4.320 -0.001 0.000 0.195 43 K C 1.810 178.473 176.600 0.106 0.000 1.036 43 K CA 0.406 56.736 56.287 0.072 0.000 0.984 43 K CB -0.148 32.407 32.500 0.092 0.000 0.788 43 K HN 0.390 nan 8.250 nan 0.000 0.488 44 I N 0.288 120.924 120.570 0.110 0.000 2.353 44 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 44 I C 2.298 178.470 176.117 0.091 0.000 1.119 44 I CA 0.686 62.068 61.300 0.137 0.000 1.417 44 I CB -0.005 38.067 38.000 0.120 0.000 1.078 44 I HN 0.177 nan 8.210 nan 0.000 0.421 45 M N 0.488 120.070 119.600 -0.030 0.000 2.200 45 M HA -0.120 4.360 4.480 -0.001 0.000 0.265 45 M C 2.205 178.505 176.300 0.001 0.000 1.066 45 M CA 1.998 57.226 55.300 -0.120 0.000 1.127 45 M CB -0.777 31.474 32.600 -0.583 0.000 1.379 45 M HN 0.046 nan 8.290 nan 0.000 0.420 46 T N -0.219 114.361 114.554 0.044 0.000 2.746 46 T HA -0.093 4.256 4.350 -0.001 0.000 0.267 46 T C 1.915 176.769 174.700 0.257 0.000 1.039 46 T CA 1.872 64.128 62.100 0.260 0.000 1.142 46 T CB -0.396 68.564 68.868 0.154 0.000 0.866 46 T HN 0.419 nan 8.240 nan 0.000 0.444 47 S N 0.166 115.971 115.700 0.174 0.000 2.402 47 S HA -0.049 4.420 4.470 -0.001 0.000 0.229 47 S C 1.664 176.342 174.600 0.129 0.000 1.021 47 S CA 0.617 58.916 58.200 0.165 0.000 0.974 47 S CB -0.446 62.898 63.200 0.240 0.000 0.800 47 S HN 0.552 nan 8.310 nan 0.000 0.484 48 Y N 2.352 122.650 120.300 -0.002 0.000 2.097 48 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 48 Y C 2.243 178.040 175.900 -0.171 0.000 1.152 48 Y CA 1.494 59.526 58.100 -0.112 0.000 1.136 48 Y CB -0.530 37.819 38.460 -0.184 0.000 0.975 48 Y HN 0.033 nan 8.280 nan 0.000 0.498 49 V N -1.229 118.683 119.914 -0.004 0.000 2.307 49 V HA -0.289 3.830 4.120 -0.001 0.000 0.245 49 V C 2.319 178.417 176.094 0.006 0.000 1.045 49 V CA 1.679 63.938 62.300 -0.067 0.000 1.024 49 V CB -0.869 30.819 31.823 -0.224 0.000 0.651 49 V HN 0.321 nan 8.190 nan 0.000 0.449 50 V N 1.106 121.102 119.914 0.137 0.000 2.332 50 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 50 V C 2.651 178.756 176.094 0.018 0.000 1.055 50 V CA 2.208 64.586 62.300 0.129 0.000 1.038 50 V CB -1.466 30.440 31.823 0.139 0.000 0.651 50 V HN 0.621 nan 8.190 nan 0.000 0.450 51 G N -1.065 107.706 108.800 -0.048 0.000 2.422 51 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 51 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 51 G C 1.498 176.300 174.900 -0.163 0.000 1.146 51 G CA 0.537 45.572 45.100 -0.108 0.000 0.769 51 G HN 0.459 nan 8.290 nan 0.000 0.547 52 Q N 0.414 120.068 119.800 -0.244 0.000 2.119 52 Q HA 0.026 4.366 4.340 -0.001 0.000 0.201 52 Q C 2.958 178.916 176.000 -0.070 0.000 0.972 52 Q CA 1.352 57.034 55.803 -0.203 0.000 0.847 52 Q CB -0.588 28.008 28.738 -0.237 0.000 0.903 52 Q HN 0.466 nan 8.270 nan 0.000 0.433 53 A N 0.606 123.410 122.820 -0.027 0.000 1.930 53 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 53 A C 2.238 179.826 177.584 0.006 0.000 1.175 53 A CA 0.868 52.911 52.037 0.010 0.000 0.627 53 A CB -0.566 18.462 19.000 0.047 0.000 0.815 53 A HN 0.288 nan 8.150 nan 0.000 0.443 54 L N -0.766 120.458 121.223 0.000 0.000 2.056 54 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 54 L C 2.562 179.422 176.870 -0.015 0.000 1.078 54 L CA 1.780 56.620 54.840 0.000 0.000 0.749 54 L CB -0.344 41.715 42.059 -0.001 0.000 0.901 54 L HN 0.399 nan 8.230 nan 0.000 0.433 55 K N 0.507 120.884 120.400 -0.038 0.000 2.148 55 K HA -0.109 4.211 4.320 -0.001 0.000 0.204 55 K C 1.720 178.304 176.600 -0.026 0.000 1.050 55 K CA 1.191 57.453 56.287 -0.042 0.000 0.942 55 K CB 0.009 32.465 32.500 -0.073 0.000 0.724 55 K HN 0.278 nan 8.250 nan 0.000 0.446 56 A N 0.757 123.565 122.820 -0.020 0.000 2.307 56 A HA 0.066 4.385 4.320 -0.001 0.000 0.218 56 A C -0.383 177.199 177.584 -0.004 0.000 1.228 56 A CA 0.423 52.455 52.037 -0.009 0.000 0.857 56 A CB 0.079 19.077 19.000 -0.003 0.000 0.897 56 A HN 0.493 nan 8.150 nan 0.000 0.495 57 D N -0.670 119.729 120.400 -0.002 0.000 2.837 57 D HA -0.144 4.496 4.640 -0.001 0.000 0.230 57 D C 0.849 177.153 176.300 0.007 0.000 1.152 57 D CA 1.143 55.146 54.000 0.005 0.000 0.736 57 D CB -0.677 40.126 40.800 0.004 0.000 1.084 57 D HN 0.423 nan 8.370 nan 0.000 0.429 58 K N -0.337 120.066 120.400 0.004 0.000 2.314 58 K HA 0.156 4.476 4.320 -0.001 0.000 0.198 58 K C 1.446 178.045 176.600 -0.001 0.000 1.045 58 K CA 0.529 56.813 56.287 -0.006 0.000 0.988 58 K CB 0.648 33.139 32.500 -0.016 0.000 0.783 58 K HN 0.595 nan 8.250 nan 0.000 0.484 59 I N -2.367 118.222 120.570 0.032 0.000 2.934 59 I HA 0.435 4.604 4.170 -0.001 0.000 0.306 59 I C -1.023 175.144 176.117 0.082 0.000 1.110 59 I CA -1.135 60.222 61.300 0.094 0.000 1.019 59 I CB 2.366 40.468 38.000 0.169 0.000 1.227 59 I HN -0.294 nan 8.210 nan 0.000 0.434 60 K N 3.046 123.507 120.400 0.102 0.000 2.267 60 K HA 0.509 4.829 4.320 -0.001 0.000 0.246 60 K C 0.352 176.983 176.600 0.051 0.000 0.954 60 K CA -0.846 55.477 56.287 0.061 0.000 0.824 60 K CB 2.791 35.321 32.500 0.050 0.000 1.167 60 K HN 0.628 nan 8.250 nan 0.000 0.431 61 L N 0.879 122.117 121.223 0.025 0.000 2.187 61 L HA -0.198 4.142 4.340 -0.001 0.000 0.213 61 L C 2.019 178.890 176.870 0.001 0.000 1.100 61 L CA 1.648 56.492 54.840 0.006 0.000 0.765 61 L CB -0.543 41.516 42.059 -0.001 0.000 0.904 61 L HN 0.829 nan 8.230 nan 0.000 0.437 62 T N -5.210 109.349 114.554 0.009 0.000 3.107 62 T HA 0.055 4.405 4.350 -0.001 0.000 0.249 62 T C 0.540 175.237 174.700 -0.006 0.000 1.096 62 T CA -0.426 61.677 62.100 0.005 0.000 1.012 62 T CB -0.283 68.591 68.868 0.011 0.000 0.977 62 T HN 0.023 nan 8.240 nan 0.000 0.527 63 D N 2.399 122.796 120.400 -0.006 0.000 2.414 63 D HA 0.195 4.835 4.640 -0.001 0.000 0.242 63 D C 0.157 176.376 176.300 -0.135 0.000 1.129 63 D CA 0.188 54.171 54.000 -0.028 0.000 0.885 63 D CB 0.578 41.407 40.800 0.048 0.000 1.198 63 D HN 0.157 nan 8.370 nan 0.000 0.437 64 M N 1.969 121.488 119.600 -0.136 0.000 2.113 64 M HA 0.257 4.736 4.480 -0.001 0.000 0.352 64 M C -0.542 175.587 176.300 -0.285 0.000 1.170 64 M CA -0.810 54.394 55.300 -0.160 0.000 1.053 64 M CB 1.212 33.767 32.600 -0.076 0.000 1.601 64 M HN -0.034 nan 8.290 nan 0.000 0.459 65 V N 3.258 122.973 119.914 -0.333 0.000 2.427 65 V HA 0.384 4.504 4.120 -0.001 0.000 0.286 65 V C 0.374 176.362 176.094 -0.176 0.000 1.034 65 V CA -0.570 61.498 62.300 -0.386 0.000 0.893 65 V CB 1.687 33.234 31.823 -0.460 0.000 0.982 65 V HN 0.828 nan 8.190 nan 0.000 0.452 66 T N 4.489 118.974 114.554 -0.115 0.000 2.771 66 T HA 0.388 4.738 4.350 -0.001 0.000 0.291 66 T C 0.011 174.667 174.700 -0.073 0.000 0.954 66 T CA -0.257 61.797 62.100 -0.076 0.000 1.045 66 T CB 1.252 70.092 68.868 -0.048 0.000 0.917 66 T HN 0.376 nan 8.240 nan 0.000 0.484 67 V N 3.672 123.531 119.914 -0.091 0.000 2.555 67 V HA 0.495 4.615 4.120 -0.001 0.000 0.286 67 V C 1.100 177.120 176.094 -0.123 0.000 1.044 67 V CA -0.248 61.992 62.300 -0.101 0.000 1.026 67 V CB 0.973 32.722 31.823 -0.123 0.000 0.981 67 V HN 1.026 nan 8.190 nan 0.000 0.480 68 G N 3.319 112.063 108.800 -0.093 0.000 2.613 68 G HA2 0.424 4.384 3.960 -0.001 0.000 0.303 68 G HA3 0.424 4.384 3.960 -0.001 0.000 0.303 68 G C 0.577 175.407 174.900 -0.116 0.000 1.312 68 G CA -0.552 44.493 45.100 -0.091 0.000 1.036 68 G HN 0.804 nan 8.290 nan 0.000 0.513 69 K N -0.973 119.388 120.400 -0.065 0.000 2.525 69 K HA 0.009 4.329 4.320 -0.001 0.000 0.192 69 K C 0.837 177.554 176.600 0.195 0.000 1.029 69 K CA 1.166 57.469 56.287 0.027 0.000 1.029 69 K CB 0.163 32.733 32.500 0.118 0.000 0.814 69 K HN 0.407 nan 8.250 nan 0.000 0.503 70 D N 1.332 121.797 120.400 0.109 0.000 2.363 70 D HA -0.057 4.582 4.640 -0.001 0.000 0.220 70 D C 1.150 177.533 176.300 0.139 0.000 0.994 70 D CA 0.542 54.616 54.000 0.123 0.000 0.890 70 D CB 0.161 41.008 40.800 0.079 0.000 0.906 70 D HN 0.290 nan 8.370 nan 0.000 0.530 71 A N -0.180 122.716 122.820 0.127 0.000 2.545 71 A HA 0.413 4.733 4.320 -0.001 0.000 0.277 71 A C -0.419 177.286 177.584 0.202 0.000 1.301 71 A CA -0.708 51.395 52.037 0.111 0.000 0.935 71 A CB -0.354 18.662 19.000 0.027 0.000 1.093 71 A HN 0.372 nan 8.150 nan 0.000 0.519 72 W N -3.489 117.795 121.300 -0.028 0.000 3.031 72 W HA 0.694 5.354 4.660 -0.001 0.000 0.337 72 W C 0.338 176.847 176.519 -0.016 0.000 1.187 72 W CA -1.306 56.015 57.345 -0.039 0.000 1.166 72 W CB 1.038 30.450 29.460 -0.080 0.000 1.437 72 W HN 0.041 nan 8.180 nan 0.000 0.551 73 A N 1.057 123.851 122.820 -0.044 0.000 2.015 73 A HA -0.064 4.256 4.320 -0.001 0.000 0.219 73 A C 1.669 179.053 177.584 -0.332 0.000 1.163 73 A CA 2.279 54.232 52.037 -0.139 0.000 0.646 73 A CB -1.022 17.921 19.000 -0.094 0.000 0.806 73 A HN 0.717 nan 8.150 nan 0.000 0.448 74 T N -0.496 113.575 114.554 -0.804 0.000 2.833 74 T HA -0.018 4.331 4.350 -0.001 0.000 0.269 74 T C 1.673 176.102 174.700 -0.452 0.000 1.054 74 T CA 1.427 63.011 62.100 -0.861 0.000 1.135 74 T CB -0.210 67.682 68.868 -1.626 0.000 0.869 74 T HN 0.554 nan 8.240 nan 0.000 0.466 75 G N 0.293 108.929 108.800 -0.274 0.000 3.126 75 G HA2 0.106 4.066 3.960 -0.001 0.000 0.224 75 G HA3 0.106 4.066 3.960 -0.001 0.000 0.224 75 G C 0.379 175.330 174.900 0.085 0.000 1.142 75 G CA -0.251 44.917 45.100 0.113 0.000 0.759 75 G HN 0.355 nan 8.290 nan 0.000 0.550 76 N N 0.058 118.777 118.700 0.033 0.000 2.685 76 N HA 0.258 4.997 4.740 -0.001 0.000 0.252 76 N C -2.001 173.509 175.510 -0.000 0.000 1.261 76 N CA -1.667 51.410 53.050 0.045 0.000 0.768 76 N CB 2.097 40.640 38.487 0.093 0.000 1.304 76 N HN -0.213 nan 8.380 nan 0.000 0.536 77 P HA -0.182 nan 4.420 nan 0.000 0.217 77 P C 1.106 178.395 177.300 -0.018 0.000 1.148 77 P CA 1.123 64.208 63.100 -0.025 0.000 0.834 77 P CB 0.223 31.913 31.700 -0.015 0.000 0.783 78 A N -0.508 122.310 122.820 -0.004 0.000 1.986 78 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 78 A C 2.047 179.592 177.584 -0.066 0.000 1.171 78 A CA 1.490 53.515 52.037 -0.021 0.000 0.640 78 A CB -1.391 17.613 19.000 0.007 0.000 0.811 78 A HN 0.108 nan 8.150 nan 0.000 0.451 79 L N -0.806 120.386 121.223 -0.052 0.000 2.395 79 L HA 0.112 4.452 4.340 -0.001 0.000 0.218 79 L C 1.429 178.283 176.870 -0.027 0.000 1.130 79 L CA 0.648 55.458 54.840 -0.051 0.000 0.826 79 L CB -0.990 41.066 42.059 -0.006 0.000 0.941 79 L HN 0.413 nan 8.230 nan 0.000 0.451 80 R N -0.170 120.313 120.500 -0.028 0.000 2.522 80 R HA 0.234 4.574 4.340 -0.001 0.000 0.284 80 R C 1.117 177.411 176.300 -0.011 0.000 1.032 80 R CA 0.908 56.997 56.100 -0.019 0.000 1.049 80 R CB 0.047 30.330 30.300 -0.028 0.000 0.956 80 R HN 0.379 nan 8.270 nan 0.000 0.422 81 G N 2.635 111.437 108.800 0.003 0.000 2.166 81 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.260 81 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.260 81 G C -0.074 174.831 174.900 0.009 0.000 0.986 81 G CA 0.677 45.781 45.100 0.007 0.000 0.683 81 G HN 0.822 nan 8.290 nan 0.000 0.527 82 S N -0.521 115.183 115.700 0.007 0.000 2.651 82 S HA 0.774 5.243 4.470 -0.001 0.000 0.291 82 S C 0.534 175.152 174.600 0.031 0.000 1.141 82 S CA 0.492 58.694 58.200 0.003 0.000 1.027 82 S CB 1.799 64.976 63.200 -0.039 0.000 1.043 82 S HN 1.620 nan 8.310 nan 0.000 0.530 83 S N 0.731 116.454 115.700 0.039 0.000 2.549 83 S HA 0.519 4.989 4.470 -0.001 0.000 0.286 83 S C -0.308 174.334 174.600 0.070 0.000 1.314 83 S CA -0.662 57.575 58.200 0.062 0.000 1.062 83 S CB 0.378 63.620 63.200 0.071 0.000 0.865 83 S HN 1.021 nan 8.310 nan 0.000 0.498 84 V N 4.509 124.483 119.914 0.101 0.000 2.752 84 V HA 0.233 4.353 4.120 -0.001 0.000 0.302 84 V C 0.571 176.770 176.094 0.174 0.000 1.133 84 V CA -0.683 61.696 62.300 0.132 0.000 0.919 84 V CB 2.049 33.970 31.823 0.164 0.000 1.026 84 V HN 1.100 nan 8.190 nan 0.000 0.429 85 M N 4.419 124.109 119.600 0.150 0.000 2.202 85 M HA 0.055 4.535 4.480 -0.001 0.000 0.262 85 M C 0.478 176.980 176.300 0.337 0.000 1.063 85 M CA 1.768 57.169 55.300 0.168 0.000 1.097 85 M CB -0.021 32.594 32.600 0.025 0.000 1.382 85 M HN 0.729 nan 8.290 nan 0.000 0.413 86 F N 0.443 120.467 119.950 0.123 0.000 2.201 86 F HA -0.166 4.361 4.527 -0.001 0.000 0.511 86 F C -1.821 174.088 175.800 0.182 0.000 1.272 86 F CA -0.406 57.684 58.000 0.149 0.000 1.637 86 F CB -0.742 38.339 39.000 0.135 0.000 2.599 86 F HN -0.086 nan 8.300 nan 0.000 0.730 87 L N 5.273 126.409 121.223 -0.146 0.000 2.333 87 L HA 0.689 5.029 4.340 -0.001 0.000 0.263 87 L C -0.565 176.176 176.870 -0.216 0.000 1.014 87 L CA -1.001 53.768 54.840 -0.119 0.000 0.820 87 L CB 2.463 44.506 42.059 -0.027 0.000 1.352 87 L HN 0.452 nan 8.230 nan 0.000 0.421 88 K N 0.306 120.551 120.400 -0.258 0.000 2.443 88 K HA 0.674 4.994 4.320 -0.001 0.000 0.251 88 K C -2.977 173.297 176.600 -0.544 0.000 0.972 88 K CA -2.094 53.909 56.287 -0.474 0.000 0.833 88 K CB 1.983 34.222 32.500 -0.435 0.000 1.317 88 K HN 0.059 nan 8.250 nan 0.000 0.441 89 P HA 0.003 nan 4.420 nan 0.000 0.265 89 P C 0.535 177.621 177.300 -0.358 0.000 1.193 89 P CA 1.449 64.210 63.100 -0.565 0.000 0.765 89 P CB 0.668 31.968 31.700 -0.668 0.000 0.823 90 G N 2.147 110.811 108.800 -0.226 0.000 2.258 90 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.233 90 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.233 90 G C 0.044 174.871 174.900 -0.122 0.000 1.006 90 G CA -0.275 44.733 45.100 -0.153 0.000 0.620 90 G HN 0.503 nan 8.290 nan 0.000 0.511 91 D N 1.690 122.008 120.400 -0.136 0.000 2.472 91 D HA 0.405 5.044 4.640 -0.001 0.000 0.237 91 D C 0.747 177.011 176.300 -0.060 0.000 1.141 91 D CA 0.771 54.723 54.000 -0.081 0.000 0.875 91 D CB 0.470 41.233 40.800 -0.062 0.000 1.192 91 D HN 0.543 nan 8.370 nan 0.000 0.450 92 Q N 0.483 120.263 119.800 -0.034 0.000 2.330 92 Q HA 0.605 4.945 4.340 -0.001 0.000 0.269 92 Q C -1.139 174.860 176.000 -0.000 0.000 1.022 92 Q CA -0.826 54.955 55.803 -0.036 0.000 0.796 92 Q CB 2.436 31.151 28.738 -0.040 0.000 1.271 92 Q HN 0.133 nan 8.270 nan 0.000 0.450 93 V N 1.492 121.395 119.914 -0.018 0.000 2.686 93 V HA 0.286 4.406 4.120 -0.001 0.000 0.306 93 V C -0.061 176.009 176.094 -0.040 0.000 1.065 93 V CA -0.931 61.390 62.300 0.034 0.000 0.894 93 V CB 2.050 33.899 31.823 0.045 0.000 1.004 93 V HN 0.937 nan 8.190 nan 0.000 0.424 94 S N 3.175 118.875 115.700 -0.001 0.000 2.563 94 S HA 0.176 4.645 4.470 -0.001 0.000 0.284 94 S C 1.225 175.776 174.600 -0.082 0.000 1.331 94 S CA -0.166 58.010 58.200 -0.040 0.000 1.047 94 S CB 1.297 64.504 63.200 0.011 0.000 0.859 94 S HN 0.520 nan 8.310 nan 0.000 0.514 95 V N 3.138 122.984 119.914 -0.113 0.000 2.282 95 V HA -0.275 3.844 4.120 -0.001 0.000 0.249 95 V C 2.966 179.015 176.094 -0.075 0.000 1.057 95 V CA 2.562 64.806 62.300 -0.094 0.000 1.032 95 V CB -1.792 30.008 31.823 -0.038 0.000 0.645 95 V HN 1.068 nan 8.190 nan 0.000 0.447 96 A N -0.415 122.373 122.820 -0.054 0.000 1.917 96 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 96 A C 2.018 179.534 177.584 -0.114 0.000 1.182 96 A CA 2.307 54.305 52.037 -0.065 0.000 0.633 96 A CB -0.638 18.347 19.000 -0.025 0.000 0.819 96 A HN 0.570 nan 8.150 nan 0.000 0.448 97 D N -0.299 120.068 120.400 -0.054 0.000 2.123 97 D HA -0.033 4.607 4.640 -0.001 0.000 0.200 97 D C 1.986 178.151 176.300 -0.226 0.000 0.976 97 D CA 0.843 54.820 54.000 -0.037 0.000 0.831 97 D CB -0.288 40.617 40.800 0.174 0.000 0.974 97 D HN 0.440 nan 8.370 nan 0.000 0.469 98 L N 0.777 121.890 121.223 -0.184 0.000 2.093 98 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 98 L C 2.266 179.007 176.870 -0.214 0.000 1.085 98 L CA 0.824 55.545 54.840 -0.199 0.000 0.755 98 L CB -0.399 41.572 42.059 -0.146 0.000 0.904 98 L HN 0.095 nan 8.230 nan 0.000 0.435 99 N N 0.468 119.047 118.700 -0.201 0.000 2.084 99 N HA -0.214 4.526 4.740 -0.001 0.000 0.190 99 N C 1.821 177.151 175.510 -0.300 0.000 1.030 99 N CA 1.249 54.185 53.050 -0.189 0.000 0.849 99 N CB 0.140 38.547 38.487 -0.135 0.000 1.012 99 N HN 0.307 nan 8.380 nan 0.000 0.423 100 K N 0.093 120.212 120.400 -0.468 0.000 2.063 100 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 100 K C 2.108 178.279 176.600 -0.717 0.000 1.048 100 K CA 1.321 57.145 56.287 -0.771 0.000 0.928 100 K CB -0.402 31.300 32.500 -1.330 0.000 0.713 100 K HN 0.250 nan 8.250 nan 0.000 0.442 101 G N 0.957 109.416 108.800 -0.569 0.000 2.446 101 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 101 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 101 G C 1.579 176.406 174.900 -0.123 0.000 1.168 101 G CA 1.054 46.040 45.100 -0.191 0.000 0.771 101 G HN 0.113 nan 8.290 nan 0.000 0.551 102 V N 0.906 120.731 119.914 -0.148 0.000 2.255 102 V HA -0.160 3.959 4.120 -0.001 0.000 0.247 102 V C 2.751 178.781 176.094 -0.106 0.000 1.051 102 V CA 1.808 64.052 62.300 -0.092 0.000 1.018 102 V CB -0.380 31.396 31.823 -0.078 0.000 0.641 102 V HN 0.388 nan 8.190 nan 0.000 0.445 103 I N -0.938 119.507 120.570 -0.209 0.000 2.333 103 I HA -0.123 4.046 4.170 -0.001 0.000 0.246 103 I C 2.138 178.120 176.117 -0.226 0.000 1.106 103 I CA 1.448 62.558 61.300 -0.317 0.000 1.411 103 I CB -0.079 37.592 38.000 -0.549 0.000 1.082 103 I HN 0.209 nan 8.210 nan 0.000 0.420 104 I N -0.383 120.073 120.570 -0.190 0.000 2.429 104 I HA -0.172 3.998 4.170 -0.001 0.000 0.247 104 I C 2.295 178.439 176.117 0.044 0.000 1.099 104 I CA 1.109 62.365 61.300 -0.072 0.000 1.422 104 I CB -0.165 37.794 38.000 -0.068 0.000 1.112 104 I HN 0.203 nan 8.210 nan 0.000 0.430 105 Q N 0.111 119.948 119.800 0.063 0.000 2.384 105 Q HA 0.084 4.424 4.340 -0.001 0.000 0.207 105 Q C 0.317 176.369 176.000 0.088 0.000 0.904 105 Q CA 0.072 55.944 55.803 0.116 0.000 0.933 105 Q CB 0.838 29.674 28.738 0.162 0.000 1.077 105 Q HN 0.301 nan 8.270 nan 0.000 0.522 106 S N 0.169 115.901 115.700 0.053 0.000 3.682 106 S HA -0.157 4.312 4.470 -0.001 0.000 0.354 106 S C 0.178 174.813 174.600 0.058 0.000 1.034 106 S CA 0.203 58.438 58.200 0.058 0.000 1.084 106 S CB -1.430 61.821 63.200 0.084 0.000 0.903 106 S HN 0.656 nan 8.310 nan 0.000 0.470 107 G N 1.381 110.208 108.800 0.045 0.000 2.307 107 G HA2 0.157 4.117 3.960 -0.001 0.000 0.271 107 G HA3 0.157 4.117 3.960 -0.001 0.000 0.271 107 G C 0.847 175.773 174.900 0.043 0.000 1.191 107 G CA -0.334 44.795 45.100 0.049 0.000 1.024 107 G HN 0.545 nan 8.290 nan 0.000 0.441 108 N N 2.244 120.970 118.700 0.043 0.000 2.309 108 N HA -0.130 4.610 4.740 -0.001 0.000 0.182 108 N C 1.719 177.271 175.510 0.069 0.000 1.018 108 N CA 1.493 54.565 53.050 0.038 0.000 0.876 108 N CB 0.168 38.598 38.487 -0.094 0.000 0.972 108 N HN 0.738 nan 8.380 nan 0.000 0.434 109 D N 0.918 121.350 120.400 0.052 0.000 2.149 109 D HA -0.035 4.604 4.640 -0.001 0.000 0.201 109 D C 1.755 178.068 176.300 0.022 0.000 0.972 109 D CA 0.836 54.870 54.000 0.057 0.000 0.835 109 D CB -0.605 40.237 40.800 0.071 0.000 0.966 109 D HN 0.100 nan 8.370 nan 0.000 0.476 110 A N 0.477 123.295 122.820 -0.003 0.000 1.940 110 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 110 A C 2.491 180.034 177.584 -0.068 0.000 1.176 110 A CA 1.436 53.442 52.037 -0.052 0.000 0.631 110 A CB -1.138 17.814 19.000 -0.080 0.000 0.814 110 A HN 0.442 nan 8.150 nan 0.000 0.446 111 C N -0.787 118.489 119.300 -0.041 0.000 2.432 111 C HA -0.090 4.370 4.460 -0.001 0.000 0.277 111 C C 2.563 177.453 174.990 -0.167 0.000 1.249 111 C CA 1.035 59.995 59.018 -0.096 0.000 1.725 111 C CB -1.291 26.445 27.740 -0.006 0.000 2.028 111 C HN 0.644 nan 8.230 nan 0.000 0.477 112 I N 1.175 121.711 120.570 -0.055 0.000 2.252 112 I HA -0.177 3.993 4.170 -0.001 0.000 0.245 112 I C 2.726 178.792 176.117 -0.084 0.000 1.102 112 I CA 1.543 62.806 61.300 -0.063 0.000 1.385 112 I CB -0.520 37.506 38.000 0.043 0.000 1.064 112 I HN 0.278 nan 8.210 nan 0.000 0.414 113 A N 0.769 123.551 122.820 -0.064 0.000 1.898 113 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 113 A C 2.308 179.859 177.584 -0.055 0.000 1.181 113 A CA 1.244 53.248 52.037 -0.054 0.000 0.620 113 A CB -0.754 18.209 19.000 -0.061 0.000 0.819 113 A HN 0.352 nan 8.150 nan 0.000 0.442 114 L N -0.820 120.343 121.223 -0.100 0.000 2.056 114 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 114 L C 3.117 179.892 176.870 -0.159 0.000 1.078 114 L CA 1.004 55.792 54.840 -0.085 0.000 0.749 114 L CB -0.485 41.500 42.059 -0.124 0.000 0.901 114 L HN 0.460 nan 8.230 nan 0.000 0.433 115 A N -0.100 122.468 122.820 -0.421 0.000 1.877 115 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 115 A C 1.889 179.402 177.584 -0.119 0.000 1.186 115 A CA 2.065 53.720 52.037 -0.638 0.000 0.620 115 A CB -0.558 17.971 19.000 -0.786 0.000 0.822 115 A HN 0.358 nan 8.150 nan 0.000 0.443 116 D N -1.762 118.605 120.400 -0.055 0.000 2.144 116 D HA -0.153 4.487 4.640 -0.001 0.000 0.199 116 D C 1.666 178.021 176.300 0.091 0.000 0.984 116 D CA 1.421 55.440 54.000 0.032 0.000 0.834 116 D CB -0.437 40.383 40.800 0.033 0.000 0.955 116 D HN 0.570 nan 8.370 nan 0.000 0.465 117 Y N 1.211 121.496 120.300 -0.025 0.000 2.200 117 Y HA -0.176 4.373 4.550 -0.001 0.000 0.290 117 Y C 2.226 178.148 175.900 0.036 0.000 1.137 117 Y CA 0.949 59.048 58.100 -0.001 0.000 1.163 117 Y CB -0.303 38.148 38.460 -0.016 0.000 0.988 117 Y HN -0.197 nan 8.280 nan 0.000 0.518 118 V N -0.754 119.198 119.914 0.064 0.000 2.379 118 V HA -0.155 3.965 4.120 -0.001 0.000 0.245 118 V C 2.123 178.250 176.094 0.056 0.000 1.044 118 V CA 1.899 64.237 62.300 0.064 0.000 1.036 118 V CB -0.874 31.125 31.823 0.294 0.000 0.664 118 V HN 0.474 nan 8.190 nan 0.000 0.453 119 A N -2.215 120.687 122.820 0.136 0.000 2.390 119 A HA 0.537 4.857 4.320 -0.001 0.000 0.225 119 A C 1.775 179.396 177.584 0.061 0.000 1.232 119 A CA 1.127 53.235 52.037 0.119 0.000 0.964 119 A CB 0.768 19.913 19.000 0.243 0.000 1.064 119 A HN 0.987 nan 8.150 nan 0.000 0.525 120 G N -0.565 108.262 108.800 0.044 0.000 2.284 120 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.230 120 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.230 120 G C 0.370 175.295 174.900 0.040 0.000 1.021 120 G CA 0.592 45.709 45.100 0.028 0.000 0.619 120 G HN 2.060 nan 8.290 nan 0.000 0.510 121 S N -1.428 114.307 115.700 0.059 0.000 2.567 121 S HA 0.610 5.080 4.470 -0.001 0.000 0.270 121 S C 0.324 174.966 174.600 0.070 0.000 1.152 121 S CA 0.342 58.573 58.200 0.051 0.000 0.835 121 S CB 1.465 64.692 63.200 0.044 0.000 1.115 121 S HN 0.199 nan 8.310 nan 0.000 0.459 122 Q N 0.735 120.562 119.800 0.044 0.000 2.084 122 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 122 Q C 1.892 177.946 176.000 0.090 0.000 0.978 122 Q CA 1.928 57.758 55.803 0.045 0.000 0.844 122 Q CB -0.199 28.541 28.738 0.003 0.000 0.898 122 Q HN 0.881 nan 8.270 nan 0.000 0.426 123 E N 0.050 120.289 120.200 0.065 0.000 2.077 123 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 123 E C 2.028 178.668 176.600 0.067 0.000 0.989 123 E CA 1.319 57.753 56.400 0.058 0.000 0.800 123 E CB -0.061 29.663 29.700 0.039 0.000 0.746 123 E HN 0.187 nan 8.360 nan 0.000 0.452 124 S N -0.694 115.051 115.700 0.076 0.000 2.383 124 S HA -0.150 4.320 4.470 -0.001 0.000 0.227 124 S C 1.721 176.374 174.600 0.088 0.000 1.026 124 S CA 0.892 59.131 58.200 0.065 0.000 0.981 124 S CB -0.479 62.753 63.200 0.055 0.000 0.818 124 S HN 0.465 nan 8.310 nan 0.000 0.472 125 F N 1.798 121.745 119.950 -0.005 0.000 2.146 125 F HA 0.098 4.625 4.527 -0.001 0.000 0.298 125 F C 1.820 177.619 175.800 -0.002 0.000 1.096 125 F CA 1.400 59.399 58.000 -0.001 0.000 1.275 125 F CB -0.244 38.749 39.000 -0.011 0.000 1.008 125 F HN 0.216 nan 8.300 nan 0.000 0.480 126 I N -0.169 120.509 120.570 0.179 0.000 2.361 126 I HA -0.220 3.950 4.170 -0.001 0.000 0.251 126 I C 2.716 178.850 176.117 0.028 0.000 1.133 126 I CA 1.217 62.577 61.300 0.099 0.000 1.413 126 I CB -1.213 36.843 38.000 0.095 0.000 1.073 126 I HN 0.265 nan 8.210 nan 0.000 0.424 127 G N 1.169 109.972 108.800 0.005 0.000 2.440 127 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 127 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 127 G C 1.698 176.549 174.900 -0.081 0.000 1.154 127 G CA 0.627 45.710 45.100 -0.029 0.000 0.767 127 G HN 0.274 nan 8.290 nan 0.000 0.552 128 L N -0.334 120.803 121.223 -0.144 0.000 2.027 128 L HA -0.060 4.279 4.340 -0.001 0.000 0.206 128 L C 3.126 179.931 176.870 -0.108 0.000 1.074 128 L CA 1.056 55.772 54.840 -0.208 0.000 0.745 128 L CB -0.380 41.510 42.059 -0.281 0.000 0.898 128 L HN 0.247 nan 8.230 nan 0.000 0.433 129 M N -0.227 119.293 119.600 -0.134 0.000 2.110 129 M HA -0.304 4.175 4.480 -0.001 0.000 0.257 129 M C 1.922 178.324 176.300 0.170 0.000 1.071 129 M CA 2.311 57.601 55.300 -0.018 0.000 1.096 129 M CB -0.799 31.722 32.600 -0.131 0.000 1.300 129 M HN 0.298 nan 8.290 nan 0.000 0.411 130 N N -0.264 118.528 118.700 0.153 0.000 2.223 130 N HA -0.099 4.641 4.740 -0.001 0.000 0.185 130 N C 1.784 177.320 175.510 0.045 0.000 1.016 130 N CA 0.960 54.091 53.050 0.135 0.000 0.863 130 N CB -0.295 38.233 38.487 0.069 0.000 0.983 130 N HN 0.452 nan 8.380 nan 0.000 0.429 131 G N 0.025 108.803 108.800 -0.035 0.000 2.440 131 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 131 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 131 G C 0.955 175.786 174.900 -0.114 0.000 1.154 131 G CA 0.749 45.774 45.100 -0.124 0.000 0.767 131 G HN 0.302 nan 8.290 nan 0.000 0.552 132 Y N 1.171 121.476 120.300 0.008 0.000 2.337 132 Y HA 0.214 4.763 4.550 -0.001 0.000 0.293 132 Y C 3.042 178.930 175.900 -0.020 0.000 1.123 132 Y CA 0.229 58.329 58.100 -0.000 0.000 1.201 132 Y CB -0.437 38.025 38.460 0.004 0.000 1.011 132 Y HN 0.264 nan 8.280 nan 0.000 0.545 133 A N 0.453 123.380 122.820 0.178 0.000 1.859 133 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 133 A C 2.369 179.981 177.584 0.046 0.000 1.198 133 A CA 1.867 53.972 52.037 0.113 0.000 0.629 133 A CB -0.553 18.509 19.000 0.102 0.000 0.830 133 A HN 0.194 nan 8.150 nan 0.000 0.446 134 K N -0.274 120.145 120.400 0.030 0.000 2.044 134 K HA -0.218 4.101 4.320 -0.001 0.000 0.210 134 K C 2.161 178.770 176.600 0.015 0.000 1.049 134 K CA 1.991 58.283 56.287 0.009 0.000 0.927 134 K CB -0.314 32.182 32.500 -0.007 0.000 0.713 134 K HN 0.648 nan 8.250 nan 0.000 0.443 135 K N 0.774 121.193 120.400 0.031 0.000 2.148 135 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 135 K C 1.907 178.539 176.600 0.055 0.000 1.050 135 K CA 0.858 57.175 56.287 0.050 0.000 0.942 135 K CB 0.062 32.612 32.500 0.083 0.000 0.724 135 K HN 0.066 nan 8.250 nan 0.000 0.446 136 L N -0.328 120.921 121.223 0.043 0.000 2.592 136 L HA 0.189 4.528 4.340 -0.001 0.000 0.227 136 L C 0.817 177.681 176.870 -0.009 0.000 1.127 136 L CA 0.435 55.277 54.840 0.004 0.000 0.884 136 L CB 0.568 42.587 42.059 -0.067 0.000 1.065 136 L HN 0.565 nan 8.230 nan 0.000 0.457 137 G N 0.581 109.381 108.800 -0.001 0.000 2.131 137 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.201 137 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.201 137 G C 0.104 174.998 174.900 -0.011 0.000 1.000 137 G CA -0.506 44.590 45.100 -0.007 0.000 0.680 137 G HN 0.192 nan 8.290 nan 0.000 0.514 138 L N 2.273 123.491 121.223 -0.008 0.000 2.399 138 L HA 0.286 4.625 4.340 -0.001 0.000 0.257 138 L C 2.010 178.870 176.870 -0.016 0.000 1.236 138 L CA 0.158 54.989 54.840 -0.014 0.000 1.144 138 L CB -0.128 41.924 42.059 -0.012 0.000 1.379 138 L HN 0.345 nan 8.230 nan 0.000 0.414 139 T N -3.171 111.377 114.554 -0.010 0.000 2.995 139 T HA -0.055 4.295 4.350 -0.001 0.000 0.269 139 T C 1.165 175.875 174.700 0.018 0.000 1.091 139 T CA 0.635 62.734 62.100 -0.002 0.000 1.128 139 T CB -0.048 68.816 68.868 -0.008 0.000 0.891 139 T HN 0.430 nan 8.240 nan 0.000 0.492 140 N N 1.378 120.092 118.700 0.023 0.000 2.328 140 N HA 0.163 4.903 4.740 -0.001 0.000 0.247 140 N C -0.806 174.819 175.510 0.192 0.000 1.165 140 N CA 0.039 53.136 53.050 0.077 0.000 0.873 140 N CB 1.081 39.571 38.487 0.004 0.000 1.125 140 N HN 0.343 nan 8.380 nan 0.000 0.513 141 T N 0.478 115.059 114.554 0.045 0.000 2.809 141 T HA 0.374 4.723 4.350 -0.001 0.000 0.284 141 T C -0.138 174.277 174.700 -0.475 0.000 0.992 141 T CA -0.197 61.769 62.100 -0.223 0.000 0.957 141 T CB 2.028 70.686 68.868 -0.349 0.000 0.942 141 T HN -0.151 nan 8.240 nan 0.000 0.439 142 T N 3.816 117.828 114.554 -0.903 0.000 2.840 142 T HA 0.543 4.893 4.350 -0.001 0.000 0.287 142 T C -0.764 173.467 174.700 -0.781 0.000 0.991 142 T CA -0.511 61.080 62.100 -0.848 0.000 0.964 142 T CB 0.328 68.629 68.868 -0.944 0.000 0.954 142 T HN 0.303 nan 8.240 nan 0.000 0.438 143 F N 2.269 122.089 119.950 -0.217 0.000 2.408 143 F HA 0.454 4.981 4.527 -0.000 0.000 0.344 143 F C 1.327 177.059 175.800 -0.113 0.000 1.112 143 F CA -0.788 57.132 58.000 -0.134 0.000 1.096 143 F CB 1.506 40.473 39.000 -0.055 0.000 1.129 143 F HN 0.382 nan 8.300 nan 0.000 0.486 144 Q N 0.894 120.743 119.800 0.081 0.000 2.189 144 Q HA 0.188 4.527 4.340 -0.001 0.000 0.223 144 Q C -0.297 175.729 176.000 0.043 0.000 0.828 144 Q CA 0.080 55.906 55.803 0.038 0.000 0.967 144 Q CB 0.692 29.436 28.738 0.010 0.000 1.139 144 Q HN 0.809 nan 8.270 nan 0.000 0.497 145 T N -4.703 109.876 114.554 0.041 0.000 2.821 145 T HA 0.385 4.735 4.350 -0.001 0.000 0.306 145 T C 0.455 175.058 174.700 -0.162 0.000 1.313 145 T CA -0.213 61.827 62.100 -0.100 0.000 1.012 145 T CB 0.781 69.590 68.868 -0.098 0.000 1.298 145 T HN -0.091 nan 8.240 nan 0.000 0.502 146 V N -0.611 119.063 119.914 -0.400 0.000 3.649 146 V HA 0.244 4.363 4.120 -0.001 0.000 0.275 146 V C 1.268 177.222 176.094 -0.233 0.000 1.281 146 V CA 1.411 63.560 62.300 -0.251 0.000 1.143 146 V CB -1.712 29.930 31.823 -0.302 0.000 0.892 146 V HN 1.065 nan 8.190 nan 0.000 0.441 147 H N -0.890 118.192 119.070 0.021 0.000 3.255 147 H HA 0.613 5.169 4.556 -0.001 0.000 0.256 147 H C 1.682 177.039 175.328 0.049 0.000 1.049 147 H CA -0.128 55.934 56.048 0.022 0.000 1.202 147 H CB 0.266 30.038 29.762 0.017 0.000 1.497 147 H HN 0.485 nan 8.280 nan 0.000 0.503 148 G N 0.709 109.676 108.800 0.280 0.000 2.175 148 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 148 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 148 G C 0.020 175.050 174.900 0.215 0.000 0.982 148 G CA 0.091 45.328 45.100 0.229 0.000 0.641 148 G HN 0.339 nan 8.290 nan 0.000 0.527 149 L N 0.943 122.349 121.223 0.305 0.000 2.461 149 L HA 0.291 4.631 4.340 -0.001 0.000 0.272 149 L C 0.886 177.837 176.870 0.136 0.000 1.197 149 L CA -0.509 54.407 54.840 0.127 0.000 0.836 149 L CB 0.359 42.378 42.059 -0.067 0.000 1.105 149 L HN 0.153 nan 8.230 nan 0.000 0.477 150 D N 1.872 122.316 120.400 0.075 0.000 2.520 150 D HA 0.305 4.945 4.640 -0.001 0.000 0.243 150 D C -0.489 175.859 176.300 0.079 0.000 1.160 150 D CA 0.506 54.547 54.000 0.068 0.000 0.877 150 D CB 0.651 41.475 40.800 0.041 0.000 1.150 150 D HN 0.582 nan 8.370 nan 0.000 0.494 151 A N 4.269 127.136 122.820 0.079 0.000 2.515 151 A HA 0.619 4.939 4.320 -0.001 0.000 0.298 151 A C -2.656 174.962 177.584 0.058 0.000 1.059 151 A CA -1.438 50.639 52.037 0.068 0.000 0.698 151 A CB 1.292 20.336 19.000 0.073 0.000 1.289 151 A HN 0.425 nan 8.150 nan 0.000 0.404 152 P HA 0.322 nan 4.420 nan 0.000 0.262 152 P C 1.006 178.340 177.300 0.057 0.000 1.182 152 P CA 2.095 65.230 63.100 0.058 0.000 0.761 152 P CB 0.583 32.312 31.700 0.048 0.000 0.795 153 G N 1.523 110.383 108.800 0.100 0.000 2.143 153 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.249 153 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.249 153 G C 0.080 174.912 174.900 -0.114 0.000 0.981 153 G CA -0.057 45.110 45.100 0.110 0.000 0.665 153 G HN 0.678 nan 8.290 nan 0.000 0.528 154 Q N -0.215 119.540 119.800 -0.075 0.000 2.290 154 Q HA 0.698 5.038 4.340 -0.001 0.000 0.259 154 Q C -0.313 175.626 176.000 -0.101 0.000 0.941 154 Q CA -1.031 54.638 55.803 -0.224 0.000 0.912 154 Q CB 0.566 29.282 28.738 -0.037 0.000 1.244 154 Q HN 0.889 nan 8.270 nan 0.000 0.441 155 F N -0.011 119.895 119.950 -0.073 0.000 2.719 155 F HA 0.722 5.249 4.527 -0.000 0.000 0.309 155 F C -1.080 174.630 175.800 -0.150 0.000 1.138 155 F CA -0.935 57.019 58.000 -0.076 0.000 0.943 155 F CB 0.986 39.948 39.000 -0.063 0.000 1.304 155 F HN 0.416 nan 8.300 nan 0.000 0.445 156 S N -0.292 115.515 115.700 0.178 0.000 2.998 156 S HA 0.912 5.382 4.470 -0.001 0.000 0.321 156 S C -1.148 173.507 174.600 0.091 0.000 1.171 156 S CA 0.128 58.380 58.200 0.087 0.000 0.882 156 S CB 1.578 64.766 63.200 -0.020 0.000 1.301 156 S HN 1.592 nan 8.310 nan 0.000 0.629 157 T N -1.601 112.979 114.554 0.044 0.000 2.883 157 T HA 0.741 5.090 4.350 -0.001 0.000 0.301 157 T C 0.933 175.643 174.700 0.016 0.000 1.158 157 T CA -0.025 62.085 62.100 0.016 0.000 1.007 157 T CB 0.977 69.838 68.868 -0.012 0.000 1.186 157 T HN 0.935 nan 8.240 nan 0.000 0.499 158 A N 1.427 124.249 122.820 0.003 0.000 1.877 158 A HA -0.034 4.286 4.320 -0.001 0.000 0.216 158 A C 2.362 179.948 177.584 0.004 0.000 1.186 158 A CA 1.951 53.996 52.037 0.014 0.000 0.620 158 A CB -0.936 18.065 19.000 0.001 0.000 0.822 158 A HN 0.969 nan 8.150 nan 0.000 0.443 159 R N -0.489 119.997 120.500 -0.025 0.000 2.083 159 R HA -0.199 4.141 4.340 -0.001 0.000 0.237 159 R C 1.368 177.662 176.300 -0.008 0.000 1.137 159 R CA 2.043 58.128 56.100 -0.025 0.000 0.951 159 R CB -0.412 29.862 30.300 -0.044 0.000 0.851 159 R HN 0.413 nan 8.270 nan 0.000 0.434 160 D N -0.170 120.227 120.400 -0.004 0.000 2.178 160 D HA -0.122 4.517 4.640 -0.001 0.000 0.202 160 D C 1.789 178.103 176.300 0.023 0.000 0.974 160 D CA 0.930 54.931 54.000 0.002 0.000 0.841 160 D CB 0.034 40.832 40.800 -0.003 0.000 0.953 160 D HN 0.239 nan 8.370 nan 0.000 0.478 161 M N -0.014 119.609 119.600 0.038 0.000 2.349 161 M HA 0.054 4.533 4.480 -0.001 0.000 0.266 161 M C 2.066 178.396 176.300 0.050 0.000 1.076 161 M CA 0.445 55.783 55.300 0.063 0.000 1.126 161 M CB -0.561 32.087 32.600 0.081 0.000 1.392 161 M HN -0.043 nan 8.290 nan 0.000 0.440 162 A N -0.037 122.805 122.820 0.037 0.000 1.968 162 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 162 A C 2.028 179.625 177.584 0.023 0.000 1.169 162 A CA 0.991 53.049 52.037 0.035 0.000 0.638 162 A CB -0.437 18.579 19.000 0.027 0.000 0.812 162 A HN 0.323 nan 8.150 nan 0.000 0.446 163 L N -0.875 120.353 121.223 0.008 0.000 2.044 163 L HA -0.069 4.270 4.340 -0.001 0.000 0.205 163 L C 2.391 179.251 176.870 -0.017 0.000 1.075 163 L CA 1.603 56.437 54.840 -0.009 0.000 0.747 163 L CB -1.245 40.802 42.059 -0.019 0.000 0.903 163 L HN 0.452 nan 8.230 nan 0.000 0.435 164 L N -0.126 121.088 121.223 -0.015 0.000 2.012 164 L HA -0.080 4.260 4.340 -0.001 0.000 0.210 164 L C 2.338 179.193 176.870 -0.025 0.000 1.073 164 L CA 2.154 56.967 54.840 -0.045 0.000 0.748 164 L CB -1.336 40.729 42.059 0.010 0.000 0.891 164 L HN 0.268 nan 8.230 nan 0.000 0.431 165 G N -0.465 108.342 108.800 0.011 0.000 2.476 165 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.218 165 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.218 165 G C 1.677 176.570 174.900 -0.012 0.000 1.164 165 G CA 1.120 46.220 45.100 0.001 0.000 0.768 165 G HN 0.533 nan 8.290 nan 0.000 0.560 166 K N 0.766 121.196 120.400 0.049 0.000 2.097 166 K HA 0.192 4.511 4.320 -0.001 0.000 0.205 166 K C 2.623 179.324 176.600 0.167 0.000 1.050 166 K CA 1.493 57.880 56.287 0.166 0.000 0.938 166 K CB -0.403 32.175 32.500 0.130 0.000 0.718 166 K HN 0.193 nan 8.250 nan 0.000 0.442 167 A N 0.953 123.821 122.820 0.080 0.000 1.933 167 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 167 A C 2.082 179.832 177.584 0.277 0.000 1.175 167 A CA 1.359 53.472 52.037 0.126 0.000 0.628 167 A CB -0.594 18.358 19.000 -0.081 0.000 0.814 167 A HN 0.403 nan 8.150 nan 0.000 0.444 168 L N 0.002 121.332 121.223 0.179 0.000 2.005 168 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 168 L C 2.287 179.165 176.870 0.013 0.000 1.072 168 L CA 1.689 56.641 54.840 0.187 0.000 0.744 168 L CB -0.353 41.755 42.059 0.082 0.000 0.895 168 L HN 0.437 nan 8.230 nan 0.000 0.433 169 I N -0.869 119.587 120.570 -0.191 0.000 2.151 169 I HA -0.383 3.787 4.170 -0.001 0.000 0.243 169 I C 2.633 178.720 176.117 -0.049 0.000 1.080 169 I CA 1.926 62.979 61.300 -0.410 0.000 1.339 169 I CB -0.771 36.782 38.000 -0.746 0.000 1.039 169 I HN 0.478 nan 8.210 nan 0.000 0.409 170 H N 0.878 119.999 119.070 0.086 0.000 2.343 170 H HA -0.131 4.424 4.556 -0.001 0.000 0.303 170 H C 1.537 176.914 175.328 0.082 0.000 1.068 170 H CA 1.819 57.960 56.048 0.155 0.000 1.359 170 H CB 0.198 30.070 29.762 0.183 0.000 1.402 170 H HN 0.284 nan 8.280 nan 0.000 0.515 171 D N 0.558 120.996 120.400 0.062 0.000 2.183 171 D HA -0.048 4.592 4.640 -0.001 0.000 0.205 171 D C 1.024 177.240 176.300 -0.140 0.000 0.962 171 D CA 1.103 55.087 54.000 -0.027 0.000 0.849 171 D CB 0.303 41.193 40.800 0.151 0.000 0.978 171 D HN 0.328 nan 8.370 nan 0.000 0.488 172 V N -1.302 118.542 119.914 -0.117 0.000 2.361 172 V HA 0.324 4.443 4.120 -0.001 0.000 0.252 172 V C -2.229 173.849 176.094 -0.027 0.000 0.986 172 V CA -1.298 60.927 62.300 -0.126 0.000 1.033 172 V CB 1.446 33.137 31.823 -0.220 0.000 1.282 172 V HN -0.196 nan 8.190 nan 0.000 0.514 173 P HA -0.097 nan 4.420 nan 0.000 0.218 173 P C 1.371 178.717 177.300 0.077 0.000 1.149 173 P CA 1.387 64.515 63.100 0.046 0.000 0.817 173 P CB 0.491 32.194 31.700 0.005 0.000 0.785 174 E N -0.027 120.189 120.200 0.027 0.000 2.153 174 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 174 E C 2.007 178.629 176.600 0.036 0.000 0.988 174 E CA 0.948 57.360 56.400 0.020 0.000 0.811 174 E CB -0.210 29.488 29.700 -0.004 0.000 0.746 174 E HN 0.273 nan 8.360 nan 0.000 0.466 175 E N 0.385 120.619 120.200 0.056 0.000 2.112 175 E HA -0.168 4.181 4.350 -0.001 0.000 0.190 175 E C 1.737 178.476 176.600 0.232 0.000 0.979 175 E CA 0.611 57.071 56.400 0.099 0.000 0.814 175 E CB -0.266 29.480 29.700 0.076 0.000 0.762 175 E HN 0.263 nan 8.360 nan 0.000 0.460 176 Y N 0.659 120.995 120.300 0.060 0.000 2.165 176 Y HA -0.193 4.356 4.550 -0.001 0.000 0.286 176 Y C 2.050 178.014 175.900 0.107 0.000 1.155 176 Y CA 1.773 59.890 58.100 0.027 0.000 1.164 176 Y CB -0.764 37.649 38.460 -0.079 0.000 0.978 176 Y HN 0.127 nan 8.280 nan 0.000 0.513 177 A N -0.007 122.793 122.820 -0.032 0.000 2.084 177 A HA -0.193 4.127 4.320 -0.001 0.000 0.221 177 A C 2.208 179.708 177.584 -0.141 0.000 1.161 177 A CA 1.940 53.908 52.037 -0.116 0.000 0.653 177 A CB -1.180 17.802 19.000 -0.030 0.000 0.802 177 A HN 0.602 nan 8.150 nan 0.000 0.457 178 I N -1.684 118.839 120.570 -0.079 0.000 2.761 178 I HA -0.137 4.032 4.170 -0.001 0.000 0.261 178 I C 1.893 177.885 176.117 -0.209 0.000 1.198 178 I CA 0.748 61.965 61.300 -0.137 0.000 1.482 178 I CB -0.301 37.606 38.000 -0.154 0.000 1.100 178 I HN 0.333 nan 8.210 nan 0.000 0.445 179 H N 0.280 119.178 119.070 -0.286 0.000 2.524 179 H HA -0.072 4.484 4.556 -0.001 0.000 0.282 179 H C 2.049 177.223 175.328 -0.256 0.000 1.016 179 H CA 0.939 56.832 56.048 -0.259 0.000 1.270 179 H CB 0.018 29.588 29.762 -0.320 0.000 1.394 179 H HN 0.144 nan 8.280 nan 0.000 0.568 180 K N 0.665 120.941 120.400 -0.208 0.000 2.296 180 K HA -0.028 4.292 4.320 -0.001 0.000 0.200 180 K C -0.088 176.387 176.600 -0.209 0.000 1.048 180 K CA 0.235 56.395 56.287 -0.211 0.000 0.966 180 K CB 0.321 32.696 32.500 -0.207 0.000 0.754 180 K HN 0.357 nan 8.250 nan 0.000 0.466 181 E N 0.944 121.039 120.200 -0.174 0.000 2.299 181 E HA -0.028 4.322 4.350 -0.001 0.000 0.272 181 E C 0.221 176.739 176.600 -0.137 0.000 1.043 181 E CA 0.026 56.342 56.400 -0.139 0.000 0.895 181 E CB 1.097 30.737 29.700 -0.100 0.000 1.011 181 E HN 0.103 nan 8.360 nan 0.000 0.432 182 K N 2.034 122.335 120.400 -0.165 0.000 2.217 182 K HA -0.034 4.285 4.320 -0.001 0.000 0.202 182 K C 0.151 176.820 176.600 0.116 0.000 1.051 182 K CA 0.904 57.086 56.287 -0.174 0.000 0.952 182 K CB 0.322 32.668 32.500 -0.258 0.000 0.736 182 K HN 0.406 nan 8.250 nan 0.000 0.453 183 E N -0.544 119.726 120.200 0.117 0.000 2.343 183 E HA 0.208 4.558 4.350 -0.001 0.000 0.278 183 E C -1.697 175.040 176.600 0.228 0.000 0.910 183 E CA -0.604 55.906 56.400 0.182 0.000 0.757 183 E CB 1.819 31.611 29.700 0.153 0.000 1.218 183 E HN 0.003 nan 8.360 nan 0.000 0.435 184 F N 1.289 121.274 119.950 0.058 0.000 2.539 184 F HA 0.356 4.883 4.527 -0.001 0.000 0.328 184 F C -0.680 175.175 175.800 0.093 0.000 1.148 184 F CA -0.490 57.544 58.000 0.056 0.000 0.940 184 F CB 1.467 40.488 39.000 0.035 0.000 1.194 184 F HN 0.143 nan 8.300 nan 0.000 0.438 185 T N 7.049 121.517 114.554 -0.144 0.000 2.728 185 T HA 0.351 4.701 4.350 -0.001 0.000 0.296 185 T C -1.301 173.128 174.700 -0.453 0.000 0.940 185 T CA 0.059 62.010 62.100 -0.248 0.000 1.013 185 T CB 0.448 69.266 68.868 -0.083 0.000 0.912 185 T HN 0.444 nan 8.240 nan 0.000 0.484 186 F N 3.553 123.125 119.950 -0.630 0.000 2.581 186 F HA 0.424 4.951 4.527 -0.001 0.000 0.311 186 F C 0.576 176.245 175.800 -0.219 0.000 1.113 186 F CA -1.019 56.688 58.000 -0.489 0.000 0.935 186 F CB 1.313 39.918 39.000 -0.658 0.000 1.232 186 F HN 0.575 nan 8.300 nan 0.000 0.445 187 N N 4.231 122.527 118.700 -0.673 0.000 2.818 187 N HA -0.207 4.533 4.740 -0.001 0.000 0.250 187 N C -0.220 175.174 175.510 -0.194 0.000 1.108 187 N CA 1.185 54.017 53.050 -0.363 0.000 0.745 187 N CB -0.303 38.120 38.487 -0.107 0.000 1.104 187 N HN 0.838 nan 8.380 nan 0.000 0.557 188 K N -2.368 117.916 120.400 -0.194 0.000 3.341 188 K HA -0.184 4.136 4.320 -0.001 0.000 0.305 188 K C -0.026 176.521 176.600 -0.088 0.000 1.270 188 K CA 1.269 57.483 56.287 -0.121 0.000 0.897 188 K CB -1.840 30.602 32.500 -0.096 0.000 1.264 188 K HN 0.534 nan 8.250 nan 0.000 0.468 189 I N 0.867 121.383 120.570 -0.091 0.000 2.465 189 I HA 0.244 4.414 4.170 -0.001 0.000 0.291 189 I C 0.503 176.581 176.117 -0.065 0.000 1.014 189 I CA -0.760 60.504 61.300 -0.060 0.000 1.093 189 I CB 1.799 39.773 38.000 -0.043 0.000 1.267 189 I HN -0.081 nan 8.210 nan 0.000 0.431 190 R N 5.172 125.652 120.500 -0.034 0.000 2.309 190 R HA 0.168 4.507 4.340 -0.001 0.000 0.331 190 R C -0.661 175.652 176.300 0.022 0.000 1.116 190 R CA -0.420 55.675 56.100 -0.008 0.000 0.970 190 R CB 0.323 30.633 30.300 0.018 0.000 1.024 190 R HN 0.454 nan 8.270 nan 0.000 0.472 191 Q N 4.852 124.671 119.800 0.030 0.000 2.267 191 Q HA 0.249 4.588 4.340 -0.001 0.000 0.255 191 Q C -2.153 173.944 176.000 0.160 0.000 0.923 191 Q CA -1.990 53.867 55.803 0.090 0.000 0.925 191 Q CB 1.509 30.314 28.738 0.112 0.000 1.195 191 Q HN 0.412 nan 8.270 nan 0.000 0.417 192 P HA 0.012 nan 4.420 nan 0.000 0.278 192 P C -0.164 177.291 177.300 0.259 0.000 1.238 192 P CA -0.499 62.738 63.100 0.228 0.000 0.794 192 P CB 0.776 32.562 31.700 0.144 0.000 0.955 193 N N 2.571 121.470 118.700 0.330 0.000 2.447 193 N HA -0.021 4.718 4.740 -0.001 0.000 0.263 193 N C 1.209 176.908 175.510 0.315 0.000 1.226 193 N CA 0.179 53.378 53.050 0.248 0.000 0.906 193 N CB 0.403 38.967 38.487 0.128 0.000 1.060 193 N HN 0.276 nan 8.380 nan 0.000 0.468 194 R N 1.770 122.412 120.500 0.236 0.000 2.237 194 R HA -0.091 4.249 4.340 -0.001 0.000 0.219 194 R C 0.140 176.649 176.300 0.348 0.000 1.080 194 R CA 0.398 56.653 56.100 0.258 0.000 0.995 194 R CB -0.186 30.248 30.300 0.224 0.000 0.875 194 R HN 0.472 nan 8.270 nan 0.000 0.462 195 N N 1.978 120.877 118.700 0.331 0.000 2.549 195 N HA -0.003 4.736 4.740 -0.001 0.000 0.267 195 N C 0.477 176.161 175.510 0.290 0.000 1.182 195 N CA 0.121 53.391 53.050 0.366 0.000 1.019 195 N CB 0.340 38.986 38.487 0.266 0.000 1.380 195 N HN 0.061 nan 8.380 nan 0.000 0.505 196 R N 2.124 122.598 120.500 -0.044 0.000 2.189 196 R HA 0.000 4.340 4.340 -0.001 0.000 0.223 196 R C 1.499 177.762 176.300 -0.063 0.000 1.092 196 R CA 0.596 56.598 56.100 -0.163 0.000 0.989 196 R CB 0.001 29.828 30.300 -0.789 0.000 0.876 196 R HN 0.538 nan 8.270 nan 0.000 0.457 197 L N 0.854 121.984 121.223 -0.155 0.000 2.261 197 L HA -0.189 4.151 4.340 -0.001 0.000 0.216 197 L C 2.036 178.956 176.870 0.083 0.000 1.114 197 L CA 0.987 55.861 54.840 0.056 0.000 0.777 197 L CB -0.361 41.818 42.059 0.199 0.000 0.910 197 L HN 0.281 nan 8.230 nan 0.000 0.440 198 L N -1.523 119.722 121.223 0.037 0.000 2.189 198 L HA -0.247 4.092 4.340 -0.001 0.000 0.214 198 L C 1.984 178.718 176.870 -0.226 0.000 1.097 198 L CA 1.293 56.016 54.840 -0.195 0.000 0.764 198 L CB -0.442 41.299 42.059 -0.529 0.000 0.900 198 L HN 0.479 nan 8.230 nan 0.000 0.436 199 W N -0.492 120.774 121.300 -0.057 0.000 3.353 199 W HA 0.181 4.841 4.660 -0.001 0.000 0.304 199 W C 1.273 177.767 176.519 -0.043 0.000 1.273 199 W CA -0.329 56.985 57.345 -0.052 0.000 1.773 199 W CB -0.089 29.329 29.460 -0.070 0.000 1.095 199 W HN -0.011 nan 8.180 nan 0.000 0.676 200 S N 0.557 116.336 115.700 0.132 0.000 2.546 200 S HA -0.020 4.450 4.470 -0.001 0.000 0.290 200 S C 1.310 175.947 174.600 0.061 0.000 1.290 200 S CA 0.335 58.588 58.200 0.088 0.000 1.069 200 S CB 1.302 64.549 63.200 0.078 0.000 0.846 200 S HN 0.041 nan 8.310 nan 0.000 0.495 201 S N 3.553 119.286 115.700 0.054 0.000 2.458 201 S HA 0.045 4.515 4.470 -0.001 0.000 0.223 201 S C 1.701 176.313 174.600 0.020 0.000 1.019 201 S CA 0.199 58.419 58.200 0.033 0.000 0.937 201 S CB -0.206 63.013 63.200 0.032 0.000 0.788 201 S HN 0.798 nan 8.310 nan 0.000 0.511 202 N N 0.746 119.465 118.700 0.031 0.000 2.300 202 N HA 0.138 4.878 4.740 -0.001 0.000 0.179 202 N C 0.157 175.676 175.510 0.016 0.000 1.016 202 N CA 0.588 53.654 53.050 0.027 0.000 0.876 202 N CB 0.162 38.678 38.487 0.049 0.000 0.979 202 N HN 0.349 nan 8.380 nan 0.000 0.432 203 L N 0.093 121.334 121.223 0.029 0.000 2.323 203 L HA 0.328 4.667 4.340 -0.001 0.000 0.265 203 L C -0.120 176.748 176.870 -0.003 0.000 1.012 203 L CA -0.709 54.143 54.840 0.019 0.000 0.820 203 L CB 2.209 44.334 42.059 0.110 0.000 1.334 203 L HN -0.161 nan 8.230 nan 0.000 0.427 204 N N 0.602 119.278 118.700 -0.040 0.000 2.719 204 N HA 0.334 5.074 4.740 -0.001 0.000 0.243 204 N C -1.238 174.283 175.510 0.019 0.000 1.104 204 N CA -0.294 52.738 53.050 -0.031 0.000 0.981 204 N CB 0.633 39.080 38.487 -0.067 0.000 1.290 204 N HN 0.222 nan 8.380 nan 0.000 0.513 205 V N 2.591 122.520 119.914 0.026 0.000 2.439 205 V HA 0.223 4.342 4.120 -0.001 0.000 0.282 205 V C 0.233 176.337 176.094 0.016 0.000 1.039 205 V CA -0.379 61.958 62.300 0.062 0.000 0.913 205 V CB 1.584 33.455 31.823 0.080 0.000 0.983 205 V HN 0.713 nan 8.190 nan 0.000 0.460 206 D N 1.517 121.949 120.400 0.052 0.000 2.539 206 D HA 0.403 5.042 4.640 -0.001 0.000 0.232 206 D C 0.296 176.570 176.300 -0.042 0.000 1.256 206 D CA 0.384 54.374 54.000 -0.017 0.000 0.810 206 D CB 0.942 41.729 40.800 -0.021 0.000 1.090 206 D HN 0.729 nan 8.370 nan 0.000 0.519 207 G N -0.939 107.920 108.800 0.099 0.000 2.495 207 G HA2 0.449 4.408 3.960 -0.001 0.000 0.294 207 G HA3 0.449 4.408 3.960 -0.001 0.000 0.294 207 G C -0.523 174.496 174.900 0.197 0.000 1.397 207 G CA -0.255 44.935 45.100 0.150 0.000 0.790 207 G HN 0.055 nan 8.290 nan 0.000 0.486 208 M N -1.639 118.091 119.600 0.217 0.000 2.394 208 M HA 0.552 5.032 4.480 -0.001 0.000 0.203 208 M C -0.192 176.282 176.300 0.290 0.000 1.713 208 M CA 0.411 55.858 55.300 0.244 0.000 1.063 208 M CB 0.893 33.611 32.600 0.197 0.000 1.431 208 M HN 0.394 nan 8.290 nan 0.000 0.572 209 K N 0.757 121.296 120.400 0.232 0.000 2.569 209 K HA 0.318 4.638 4.320 -0.001 0.000 0.259 209 K C -1.201 175.505 176.600 0.177 0.000 0.932 209 K CA -0.373 56.043 56.287 0.216 0.000 0.833 209 K CB 1.610 34.237 32.500 0.212 0.000 1.340 209 K HN 0.323 nan 8.250 nan 0.000 0.429 210 T N -0.168 114.491 114.554 0.175 0.000 2.944 210 T HA 0.902 5.251 4.350 -0.001 0.000 0.284 210 T C 0.246 175.019 174.700 0.121 0.000 1.010 210 T CA -0.504 61.677 62.100 0.135 0.000 1.025 210 T CB 1.693 70.671 68.868 0.184 0.000 1.079 210 T HN 0.667 nan 8.240 nan 0.000 0.516 211 G N -0.210 108.649 108.800 0.098 0.000 2.698 211 G HA2 0.571 4.530 3.960 -0.001 0.000 0.293 211 G HA3 0.571 4.530 3.960 -0.001 0.000 0.293 211 G C -1.342 173.595 174.900 0.061 0.000 1.437 211 G CA -0.830 44.324 45.100 0.089 0.000 0.852 211 G HN 0.803 nan 8.290 nan 0.000 0.499 212 T N 1.274 115.832 114.554 0.007 0.000 2.847 212 T HA 0.591 4.941 4.350 -0.001 0.000 0.291 212 T C 0.696 175.313 174.700 -0.138 0.000 0.998 212 T CA -0.293 61.714 62.100 -0.156 0.000 0.967 212 T CB 1.187 69.983 68.868 -0.121 0.000 0.954 212 T HN 0.946 nan 8.240 nan 0.000 0.441 213 T N 0.357 114.799 114.554 -0.187 0.000 2.754 213 T HA 0.520 4.870 4.350 -0.001 0.000 0.286 213 T C 0.867 175.508 174.700 -0.099 0.000 0.997 213 T CA -0.761 61.280 62.100 -0.097 0.000 0.982 213 T CB 0.587 69.408 68.868 -0.078 0.000 1.027 213 T HN 0.573 nan 8.240 nan 0.000 0.529 214 A N 0.089 122.881 122.820 -0.047 0.000 3.091 214 A HA 0.594 4.913 4.320 -0.001 0.000 0.264 214 A C 1.501 179.061 177.584 -0.041 0.000 1.673 214 A CA -0.059 51.955 52.037 -0.039 0.000 1.362 214 A CB -1.748 17.246 19.000 -0.010 0.000 1.137 214 A HN 2.020 nan 8.150 nan 0.000 0.617 215 G N -0.979 107.779 108.800 -0.070 0.000 2.211 215 G HA2 0.094 4.053 3.960 -0.001 0.000 0.201 215 G HA3 0.094 4.053 3.960 -0.001 0.000 0.201 215 G C 0.597 175.469 174.900 -0.047 0.000 0.997 215 G CA -0.005 45.064 45.100 -0.051 0.000 0.652 215 G HN 1.759 nan 8.290 nan 0.000 0.500 216 A N 0.135 122.919 122.820 -0.060 0.000 2.701 216 A HA 0.776 5.095 4.320 -0.001 0.000 0.297 216 A C 1.665 179.217 177.584 -0.053 0.000 1.197 216 A CA 1.303 53.318 52.037 -0.036 0.000 0.963 216 A CB -0.403 18.590 19.000 -0.013 0.000 1.175 216 A HN 2.434 nan 8.150 nan 0.000 0.531 217 G N -0.765 107.961 108.800 -0.124 0.000 2.545 217 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.216 217 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.216 217 G C -0.691 174.017 174.900 -0.321 0.000 1.314 217 G CA -0.341 44.682 45.100 -0.128 0.000 0.906 217 G HN 0.561 nan 8.290 nan 0.000 0.563 218 Y N 0.914 121.206 120.300 -0.013 0.000 2.499 218 Y HA 0.682 5.232 4.550 -0.001 0.000 0.347 218 Y C 0.385 176.256 175.900 -0.049 0.000 0.987 218 Y CA -0.921 57.154 58.100 -0.040 0.000 1.044 218 Y CB 2.389 40.802 38.460 -0.079 0.000 1.245 218 Y HN 0.631 nan 8.280 nan 0.000 0.461 219 N N 1.991 120.742 118.700 0.085 0.000 2.292 219 N HA 0.661 5.401 4.740 -0.001 0.000 0.303 219 N C -2.003 173.511 175.510 0.008 0.000 1.140 219 N CA -0.689 52.390 53.050 0.049 0.000 0.788 219 N CB 2.618 41.142 38.487 0.061 0.000 1.361 219 N HN 0.538 nan 8.380 nan 0.000 0.489 220 L N 0.483 121.715 121.223 0.015 0.000 2.493 220 L HA 0.514 4.853 4.340 -0.001 0.000 0.265 220 L C -1.677 175.244 176.870 0.085 0.000 0.954 220 L CA -0.661 54.197 54.840 0.030 0.000 0.844 220 L CB 1.923 43.958 42.059 -0.040 0.000 1.302 220 L HN 0.269 nan 8.230 nan 0.000 0.405 221 V N 4.454 124.436 119.914 0.114 0.000 2.370 221 V HA 0.895 5.014 4.120 -0.001 0.000 0.279 221 V C 0.379 176.564 176.094 0.151 0.000 1.029 221 V CA 0.047 62.422 62.300 0.124 0.000 0.870 221 V CB 0.789 32.683 31.823 0.118 0.000 0.984 221 V HN 0.960 nan 8.190 nan 0.000 0.451 222 A N 3.902 126.811 122.820 0.149 0.000 2.380 222 A HA 0.935 5.254 4.320 -0.001 0.000 0.315 222 A C -0.340 177.337 177.584 0.154 0.000 1.101 222 A CA -0.586 51.554 52.037 0.171 0.000 0.771 222 A CB 2.107 21.220 19.000 0.188 0.000 1.287 222 A HN 0.776 nan 8.150 nan 0.000 0.436 223 S N -0.559 115.245 115.700 0.172 0.000 2.536 223 S HA 0.801 5.271 4.470 -0.001 0.000 0.271 223 S C -0.771 173.939 174.600 0.184 0.000 1.134 223 S CA 0.261 58.553 58.200 0.154 0.000 0.897 223 S CB 1.478 64.738 63.200 0.101 0.000 1.094 223 S HN 2.216 nan 8.310 nan 0.000 0.473 224 A N 2.025 124.978 122.820 0.221 0.000 2.566 224 A HA 0.936 5.256 4.320 -0.001 0.000 0.292 224 A C -0.428 177.369 177.584 0.354 0.000 1.112 224 A CA -0.559 51.640 52.037 0.269 0.000 0.707 224 A CB 1.534 20.756 19.000 0.370 0.000 1.302 224 A HN 1.230 nan 8.150 nan 0.000 0.409 225 T N -1.189 113.484 114.554 0.198 0.000 2.893 225 T HA 0.730 5.080 4.350 -0.001 0.000 0.291 225 T C -0.823 173.757 174.700 -0.200 0.000 1.028 225 T CA -0.573 61.603 62.100 0.126 0.000 0.995 225 T CB 1.731 70.632 68.868 0.054 0.000 1.051 225 T HN 0.822 nan 8.240 nan 0.000 0.470 226 Q N 1.537 121.185 119.800 -0.253 0.000 2.269 226 Q HA 0.488 4.827 4.340 -0.001 0.000 0.263 226 Q C 0.728 176.667 176.000 -0.102 0.000 0.983 226 Q CA 0.078 55.651 55.803 -0.383 0.000 0.777 226 Q CB 1.108 29.297 28.738 -0.915 0.000 1.273 226 Q HN 1.373 nan 8.270 nan 0.000 0.440 227 G N 4.495 113.250 108.800 -0.074 0.000 2.660 227 G HA2 -0.435 3.525 3.960 -0.001 0.000 0.321 227 G HA3 -0.435 3.525 3.960 -0.001 0.000 0.321 227 G C 0.154 175.067 174.900 0.022 0.000 1.246 227 G CA 0.997 46.086 45.100 -0.017 0.000 1.000 227 G HN 0.867 nan 8.290 nan 0.000 0.550 228 D N 0.130 120.558 120.400 0.046 0.000 2.349 228 D HA 0.394 5.033 4.640 -0.001 0.000 0.214 228 D C 1.205 177.570 176.300 0.108 0.000 1.063 228 D CA 0.477 54.517 54.000 0.066 0.000 0.847 228 D CB 0.181 41.011 40.800 0.050 0.000 0.933 228 D HN 0.604 nan 8.370 nan 0.000 0.513 229 M N 1.234 120.922 119.600 0.147 0.000 2.277 229 M HA 0.323 4.803 4.480 -0.001 0.000 0.350 229 M C -0.710 175.766 176.300 0.293 0.000 1.180 229 M CA -0.660 54.772 55.300 0.221 0.000 1.103 229 M CB 1.428 34.205 32.600 0.294 0.000 1.577 229 M HN -0.113 nan 8.290 nan 0.000 0.459 230 R N 5.286 125.936 120.500 0.249 0.000 2.538 230 R HA 0.611 4.951 4.340 -0.001 0.000 0.292 230 R C -2.229 174.160 176.300 0.149 0.000 1.008 230 R CA -0.600 55.635 56.100 0.225 0.000 0.896 230 R CB 1.362 31.711 30.300 0.082 0.000 1.187 230 R HN 0.845 nan 8.270 nan 0.000 0.440 231 L N 5.120 126.392 121.223 0.082 0.000 2.331 231 L HA 0.585 4.925 4.340 -0.001 0.000 0.275 231 L C -0.313 176.578 176.870 0.034 0.000 1.022 231 L CA -1.050 53.762 54.840 -0.047 0.000 0.812 231 L CB 2.002 43.861 42.059 -0.334 0.000 1.257 231 L HN 0.557 nan 8.230 nan 0.000 0.435 232 I N 1.393 121.985 120.570 0.037 0.000 2.406 232 I HA 0.300 4.470 4.170 -0.001 0.000 0.290 232 I C -0.121 176.034 176.117 0.063 0.000 0.999 232 I CA -0.137 61.198 61.300 0.059 0.000 1.124 232 I CB 2.007 40.044 38.000 0.061 0.000 1.289 232 I HN 0.619 nan 8.210 nan 0.000 0.441 233 S N 5.756 121.508 115.700 0.088 0.000 2.578 233 S HA 0.852 5.321 4.470 -0.001 0.000 0.301 233 S C -0.759 173.907 174.600 0.110 0.000 1.091 233 S CA -0.649 57.614 58.200 0.104 0.000 1.032 233 S CB 2.158 65.426 63.200 0.114 0.000 1.064 233 S HN 0.289 nan 8.310 nan 0.000 0.508 234 V N 2.053 122.042 119.914 0.125 0.000 2.577 234 V HA 0.525 4.644 4.120 -0.001 0.000 0.303 234 V C -0.846 175.343 176.094 0.159 0.000 1.042 234 V CA -0.708 61.665 62.300 0.122 0.000 0.872 234 V CB 1.684 33.569 31.823 0.102 0.000 0.998 234 V HN 0.854 nan 8.190 nan 0.000 0.423 235 V N 5.995 125.984 119.914 0.126 0.000 2.384 235 V HA 0.539 4.658 4.120 -0.001 0.000 0.287 235 V C -0.669 175.491 176.094 0.110 0.000 1.020 235 V CA -0.547 61.831 62.300 0.131 0.000 0.850 235 V CB 1.652 33.512 31.823 0.061 0.000 0.987 235 V HN 0.526 nan 8.190 nan 0.000 0.436 236 L N 3.388 124.692 121.223 0.136 0.000 2.346 236 L HA 0.762 5.102 4.340 -0.001 0.000 0.276 236 L C 0.968 177.898 176.870 0.099 0.000 1.006 236 L CA 0.268 55.169 54.840 0.102 0.000 0.817 236 L CB 0.987 43.101 42.059 0.091 0.000 1.272 236 L HN 0.915 nan 8.230 nan 0.000 0.421 237 G N 2.634 111.477 108.800 0.072 0.000 2.295 237 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.287 237 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.287 237 G C 0.466 175.415 174.900 0.082 0.000 1.055 237 G CA 0.344 45.480 45.100 0.061 0.000 0.922 237 G HN 1.026 nan 8.290 nan 0.000 0.503 238 A N -0.891 121.987 122.820 0.097 0.000 2.407 238 A HA 0.679 4.999 4.320 -0.001 0.000 0.248 238 A C 1.385 179.066 177.584 0.163 0.000 1.082 238 A CA 1.010 53.103 52.037 0.094 0.000 0.785 238 A CB 0.445 19.474 19.000 0.048 0.000 1.020 238 A HN 0.360 nan 8.150 nan 0.000 0.489 239 K N -0.087 120.384 120.400 0.119 0.000 2.148 239 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 239 K C 1.097 177.836 176.600 0.232 0.000 1.050 239 K CA 1.810 58.187 56.287 0.150 0.000 0.942 239 K CB -0.067 32.482 32.500 0.081 0.000 0.724 239 K HN 0.947 nan 8.250 nan 0.000 0.446 240 T N -3.463 111.145 114.554 0.091 0.000 2.907 240 T HA 0.207 4.557 4.350 -0.001 0.000 0.290 240 T C 0.690 175.090 174.700 -0.499 0.000 1.066 240 T CA -0.721 61.303 62.100 -0.126 0.000 1.012 240 T CB 1.541 70.350 68.868 -0.098 0.000 1.184 240 T HN -0.023 nan 8.240 nan 0.000 0.522 241 D N 0.075 119.939 120.400 -0.894 0.000 2.133 241 D HA -0.188 4.452 4.640 -0.001 0.000 0.195 241 D C 2.021 178.200 176.300 -0.203 0.000 0.997 241 D CA 1.566 55.155 54.000 -0.685 0.000 0.840 241 D CB -0.015 40.504 40.800 -0.468 0.000 0.947 241 D HN 0.609 nan 8.370 nan 0.000 0.452 242 R N -0.255 120.186 120.500 -0.099 0.000 2.093 242 R HA 0.018 4.357 4.340 -0.001 0.000 0.224 242 R C 2.426 178.746 176.300 0.033 0.000 1.101 242 R CA 0.831 56.954 56.100 0.039 0.000 0.979 242 R CB -0.219 30.086 30.300 0.008 0.000 0.877 242 R HN 0.274 nan 8.270 nan 0.000 0.441 243 I N 0.858 121.408 120.570 -0.033 0.000 2.286 243 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 243 I C 2.790 178.883 176.117 -0.039 0.000 1.104 243 I CA 0.679 61.964 61.300 -0.025 0.000 1.397 243 I CB -0.408 37.575 38.000 -0.029 0.000 1.072 243 I HN 0.202 nan 8.210 nan 0.000 0.417 244 R N 1.428 121.873 120.500 -0.092 0.000 2.162 244 R HA -0.261 4.078 4.340 -0.001 0.000 0.245 244 R C 2.255 178.456 176.300 -0.164 0.000 1.129 244 R CA 2.360 58.361 56.100 -0.164 0.000 0.940 244 R CB -0.770 29.361 30.300 -0.282 0.000 0.875 244 R HN 0.223 nan 8.270 nan 0.000 0.437 245 F N 0.561 120.519 119.950 0.015 0.000 2.259 245 F HA -0.042 4.484 4.527 -0.001 0.000 0.298 245 F C 2.342 178.160 175.800 0.029 0.000 1.088 245 F CA 1.484 59.505 58.000 0.035 0.000 1.358 245 F CB -0.750 38.272 39.000 0.035 0.000 1.040 245 F HN 0.275 nan 8.300 nan 0.000 0.505 246 N N 0.186 118.991 118.700 0.176 0.000 2.084 246 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 246 N C 1.717 177.259 175.510 0.055 0.000 1.030 246 N CA 1.403 54.514 53.050 0.100 0.000 0.849 246 N CB -0.002 38.517 38.487 0.055 0.000 1.012 246 N HN 0.015 nan 8.380 nan 0.000 0.423 247 E N -0.222 119.981 120.200 0.005 0.000 2.274 247 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 247 E C 1.886 178.474 176.600 -0.021 0.000 0.996 247 E CA 0.361 56.725 56.400 -0.059 0.000 0.840 247 E CB -0.112 29.505 29.700 -0.139 0.000 0.772 247 E HN 0.340 nan 8.360 nan 0.000 0.491 248 S N 1.115 116.840 115.700 0.042 0.000 2.357 248 S HA -0.151 4.319 4.470 -0.001 0.000 0.221 248 S C 1.948 176.626 174.600 0.130 0.000 1.031 248 S CA 1.090 59.345 58.200 0.091 0.000 0.982 248 S CB -0.057 63.222 63.200 0.131 0.000 0.853 248 S HN 0.360 nan 8.310 nan 0.000 0.458 249 E N 1.405 121.694 120.200 0.149 0.000 2.110 249 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 249 E C 2.106 178.797 176.600 0.152 0.000 0.988 249 E CA 1.044 57.539 56.400 0.158 0.000 0.804 249 E CB -0.057 29.731 29.700 0.146 0.000 0.745 249 E HN 0.358 nan 8.360 nan 0.000 0.458 250 K N 0.501 120.968 120.400 0.111 0.000 2.002 250 K HA -0.159 4.161 4.320 -0.001 0.000 0.209 250 K C 2.335 179.025 176.600 0.151 0.000 1.048 250 K CA 1.232 57.585 56.287 0.109 0.000 0.930 250 K CB -0.179 32.337 32.500 0.027 0.000 0.714 250 K HN 0.175 nan 8.250 nan 0.000 0.438 251 L N 1.207 122.483 121.223 0.088 0.000 1.990 251 L HA -0.273 4.067 4.340 -0.001 0.000 0.213 251 L C 2.533 179.550 176.870 0.245 0.000 1.072 251 L CA 1.447 56.367 54.840 0.133 0.000 0.755 251 L CB -0.620 41.480 42.059 0.069 0.000 0.889 251 L HN 0.230 nan 8.230 nan 0.000 0.432 252 L N -1.045 120.295 121.223 0.194 0.000 2.012 252 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 252 L C 2.615 179.664 176.870 0.300 0.000 1.073 252 L CA 1.752 56.703 54.840 0.185 0.000 0.748 252 L CB -1.122 41.087 42.059 0.249 0.000 0.891 252 L HN 0.280 nan 8.230 nan 0.000 0.431 253 T N -1.502 113.253 114.554 0.335 0.000 2.788 253 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 253 T C 1.364 176.277 174.700 0.354 0.000 1.044 253 T CA 1.522 63.826 62.100 0.340 0.000 1.139 253 T CB -0.356 68.660 68.868 0.247 0.000 0.867 253 T HN 0.517 nan 8.240 nan 0.000 0.454 254 W N 1.887 123.309 121.300 0.204 0.000 2.379 254 W HA 0.046 4.706 4.660 -0.001 0.000 0.307 254 W C 2.393 179.138 176.519 0.377 0.000 1.200 254 W CA 1.086 58.618 57.345 0.312 0.000 1.297 254 W CB -0.895 28.736 29.460 0.285 0.000 1.140 254 W HN 0.244 nan 8.180 nan 0.000 0.507 255 G N 0.659 109.730 108.800 0.452 0.000 2.599 255 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.219 255 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.219 255 G C 1.350 176.262 174.900 0.021 0.000 1.193 255 G CA 1.557 46.726 45.100 0.116 0.000 0.778 255 G HN 0.300 nan 8.290 nan 0.000 0.589 256 F N 0.546 120.564 119.950 0.112 0.000 2.234 256 F HA 0.118 4.645 4.527 -0.000 0.000 0.299 256 F C 2.721 178.471 175.800 -0.084 0.000 1.087 256 F CA 1.205 59.225 58.000 0.033 0.000 1.340 256 F CB -0.330 38.688 39.000 0.031 0.000 1.031 256 F HN 0.049 nan 8.300 nan 0.000 0.500 257 R N -0.605 119.884 120.500 -0.018 0.000 2.075 257 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 257 R C 1.258 177.179 176.300 -0.632 0.000 1.126 257 R CA 1.509 57.376 56.100 -0.390 0.000 0.963 257 R CB -0.298 29.625 30.300 -0.627 0.000 0.858 257 R HN 0.206 nan 8.270 nan 0.000 0.435 258 F N -1.110 118.621 119.950 -0.366 0.000 2.664 258 F HA 0.343 4.870 4.527 0.000 0.000 0.303 258 F C -0.549 174.688 175.800 -0.939 0.000 1.092 258 F CA -0.044 57.532 58.000 -0.706 0.000 1.305 258 F CB 0.580 38.915 39.000 -1.109 0.000 1.054 258 F HN -0.159 nan 8.300 nan 0.000 0.565 259 F N -0.345 119.543 119.950 -0.105 0.000 2.654 259 F HA 0.398 4.924 4.527 -0.001 0.000 0.308 259 F C -0.533 175.246 175.800 -0.035 0.000 1.108 259 F CA -1.398 56.555 58.000 -0.078 0.000 0.957 259 F CB 1.709 40.639 39.000 -0.117 0.000 1.309 259 F HN -0.129 nan 8.300 nan 0.000 0.446 260 E N -0.319 119.990 120.200 0.181 0.000 2.408 260 E HA 0.706 5.055 4.350 -0.001 0.000 0.275 260 E C -1.785 174.862 176.600 0.078 0.000 0.935 260 E CA -1.079 55.388 56.400 0.110 0.000 0.775 260 E CB 2.456 32.190 29.700 0.057 0.000 1.277 260 E HN 0.380 nan 8.360 nan 0.000 0.455 261 T N 1.223 115.809 114.554 0.054 0.000 2.792 261 T HA 0.504 4.854 4.350 -0.001 0.000 0.280 261 T C -0.527 174.165 174.700 -0.013 0.000 0.990 261 T CA -0.580 61.528 62.100 0.013 0.000 0.960 261 T CB 1.129 70.012 68.868 0.024 0.000 0.939 261 T HN 0.507 nan 8.240 nan 0.000 0.439 262 V N 1.276 121.153 119.914 -0.061 0.000 3.074 262 V HA 0.880 4.999 4.120 -0.001 0.000 0.314 262 V C -0.343 175.679 176.094 -0.120 0.000 1.117 262 V CA -0.887 61.368 62.300 -0.075 0.000 1.014 262 V CB 2.277 34.054 31.823 -0.076 0.000 1.057 262 V HN 0.736 nan 8.190 nan 0.000 0.438 263 T N 3.042 117.539 114.554 -0.094 0.000 3.327 263 T HA 0.426 4.776 4.350 -0.001 0.000 0.373 263 T C -2.016 172.635 174.700 -0.081 0.000 1.589 263 T CA -0.615 61.427 62.100 -0.096 0.000 1.497 263 T CB 0.962 69.800 68.868 -0.051 0.000 1.032 263 T HN 0.769 nan 8.240 nan 0.000 0.640 264 P HA 0.154 nan 4.420 nan 0.000 0.223 264 P C 0.085 177.360 177.300 -0.042 0.000 1.151 264 P CA 0.531 63.601 63.100 -0.050 0.000 0.787 264 P CB 0.301 31.991 31.700 -0.015 0.000 0.788 265 I N -0.444 120.107 120.570 -0.031 0.000 2.411 265 I HA 0.260 4.430 4.170 -0.001 0.000 0.284 265 I C 0.177 176.284 176.117 -0.015 0.000 1.012 265 I CA -1.210 60.061 61.300 -0.048 0.000 1.119 265 I CB 1.541 39.483 38.000 -0.096 0.000 1.261 265 I HN -0.359 nan 8.210 nan 0.000 0.448 266 K N 7.192 127.585 120.400 -0.011 0.000 2.295 266 K HA 0.303 4.622 4.320 -0.001 0.000 0.270 266 K C -2.366 174.239 176.600 0.009 0.000 1.011 266 K CA -1.125 55.161 56.287 -0.001 0.000 0.953 266 K CB 0.256 32.757 32.500 0.002 0.000 0.956 266 K HN 0.165 nan 8.250 nan 0.000 0.477 267 P HA -0.048 nan 4.420 nan 0.000 0.267 267 P C -0.561 176.750 177.300 0.018 0.000 1.201 267 P CA 0.487 63.597 63.100 0.017 0.000 0.775 267 P CB 0.426 32.136 31.700 0.017 0.000 0.854 268 D N -2.224 118.189 120.400 0.020 0.000 2.394 268 D HA -0.198 4.441 4.640 -0.001 0.000 0.169 268 D C 0.367 176.679 176.300 0.020 0.000 1.214 268 D CA 2.094 56.105 54.000 0.019 0.000 1.131 268 D CB -1.701 39.109 40.800 0.017 0.000 1.157 268 D HN 0.559 nan 8.370 nan 0.000 0.455 269 A N 0.339 123.172 122.820 0.022 0.000 2.354 269 A HA 0.532 4.851 4.320 -0.001 0.000 0.269 269 A C 0.500 178.110 177.584 0.043 0.000 1.109 269 A CA 0.303 52.356 52.037 0.027 0.000 0.800 269 A CB 0.605 19.617 19.000 0.021 0.000 1.045 269 A HN 0.045 nan 8.150 nan 0.000 0.489 270 T N 3.000 117.581 114.554 0.045 0.000 2.761 270 T HA 0.236 4.586 4.350 -0.001 0.000 0.296 270 T C 0.672 175.447 174.700 0.125 0.000 0.934 270 T CA -0.003 62.132 62.100 0.058 0.000 1.091 270 T CB 0.224 69.108 68.868 0.026 0.000 0.896 270 T HN 0.535 nan 8.240 nan 0.000 0.515 271 F N 4.988 124.893 119.950 -0.075 0.000 2.147 271 F HA 0.270 4.797 4.527 -0.001 0.000 0.291 271 F C 0.725 176.422 175.800 -0.173 0.000 1.093 271 F CA 0.284 58.220 58.000 -0.107 0.000 1.263 271 F CB -0.200 38.724 39.000 -0.128 0.000 1.036 271 F HN 0.387 nan 8.300 nan 0.000 0.481 272 V N -1.007 118.745 119.914 -0.269 0.000 2.962 272 V HA 0.682 4.801 4.120 -0.001 0.000 0.313 272 V C -0.635 175.327 176.094 -0.220 0.000 1.099 272 V CA -0.057 62.002 62.300 -0.401 0.000 0.971 272 V CB 1.160 32.468 31.823 -0.858 0.000 1.028 272 V HN 0.360 nan 8.190 nan 0.000 0.430 273 T N 1.379 115.837 114.554 -0.160 0.000 2.807 273 T HA 0.703 5.052 4.350 -0.001 0.000 0.279 273 T C -0.763 173.872 174.700 -0.108 0.000 0.993 273 T CA -0.543 61.489 62.100 -0.114 0.000 0.970 273 T CB 1.808 70.632 68.868 -0.074 0.000 0.950 273 T HN 0.869 nan 8.240 nan 0.000 0.441 274 Q N 2.075 121.816 119.800 -0.098 0.000 2.345 274 Q HA 0.390 4.729 4.340 -0.001 0.000 0.268 274 Q C -0.096 175.853 176.000 -0.086 0.000 1.054 274 Q CA -0.875 54.881 55.803 -0.078 0.000 0.835 274 Q CB 2.546 31.247 28.738 -0.061 0.000 1.339 274 Q HN 0.952 nan 8.270 nan 0.000 0.447 275 R N 0.371 120.808 120.500 -0.105 0.000 2.640 275 R HA 0.254 4.594 4.340 -0.001 0.000 0.270 275 R C -0.664 175.536 176.300 -0.167 0.000 1.024 275 R CA 0.007 55.995 56.100 -0.188 0.000 1.085 275 R CB 0.419 30.554 30.300 -0.276 0.000 0.963 275 R HN 0.363 nan 8.270 nan 0.000 0.426 276 V N 5.471 125.258 119.914 -0.211 0.000 2.680 276 V HA 0.526 4.645 4.120 -0.001 0.000 0.309 276 V C -1.482 174.464 176.094 -0.248 0.000 1.052 276 V CA -0.950 61.272 62.300 -0.130 0.000 0.908 276 V CB 1.360 33.154 31.823 -0.049 0.000 1.001 276 V HN 0.851 nan 8.190 nan 0.000 0.431 277 W N 6.059 127.225 121.300 -0.225 0.000 2.433 277 W HA 0.683 5.343 4.660 -0.001 0.000 0.315 277 W C -0.186 176.144 176.519 -0.315 0.000 1.087 277 W CA -0.373 56.680 57.345 -0.486 0.000 1.205 277 W CB 1.007 29.986 29.460 -0.800 0.000 1.288 277 W HN 0.642 nan 8.180 nan 0.000 0.504 278 F N 0.674 120.749 119.950 0.209 0.000 3.043 278 F HA -0.151 4.376 4.527 -0.001 0.000 0.290 278 F C 0.646 176.494 175.800 0.079 0.000 0.844 278 F CA 0.298 58.381 58.000 0.138 0.000 1.184 278 F CB -1.842 37.247 39.000 0.148 0.000 1.246 278 F HN 0.380 nan 8.300 nan 0.000 0.536 279 G N 0.210 109.117 108.800 0.177 0.000 2.644 279 G HA2 0.518 4.478 3.960 -0.001 0.000 0.307 279 G HA3 0.518 4.478 3.960 -0.001 0.000 0.307 279 G C 0.428 175.368 174.900 0.068 0.000 1.250 279 G CA -0.033 45.129 45.100 0.104 0.000 0.996 279 G HN 0.141 nan 8.290 nan 0.000 0.489 280 D N -1.102 119.326 120.400 0.047 0.000 2.378 280 D HA 0.029 4.669 4.640 -0.001 0.000 0.227 280 D C 0.439 176.746 176.300 0.011 0.000 1.012 280 D CA 0.690 54.707 54.000 0.028 0.000 0.905 280 D CB 0.240 41.055 40.800 0.024 0.000 0.895 280 D HN 0.192 nan 8.370 nan 0.000 0.532 281 K N -1.108 119.293 120.400 0.001 0.000 2.477 281 K HA 0.342 4.661 4.320 -0.001 0.000 0.255 281 K C 0.444 177.019 176.600 -0.042 0.000 0.952 281 K CA -0.442 55.834 56.287 -0.019 0.000 0.826 281 K CB 2.136 34.626 32.500 -0.018 0.000 1.331 281 K HN -0.136 nan 8.250 nan 0.000 0.437 282 S N -0.274 115.386 115.700 -0.067 0.000 2.558 282 S HA 0.116 4.586 4.470 -0.001 0.000 0.217 282 S C 0.223 174.742 174.600 -0.136 0.000 0.975 282 S CA 0.166 58.294 58.200 -0.119 0.000 0.912 282 S CB 0.020 63.144 63.200 -0.127 0.000 0.776 282 S HN 0.504 nan 8.310 nan 0.000 0.526 283 E N 0.457 120.602 120.200 -0.092 0.000 2.331 283 E HA 0.634 4.984 4.350 -0.001 0.000 0.275 283 E C -1.730 174.834 176.600 -0.059 0.000 0.895 283 E CA -0.610 55.740 56.400 -0.084 0.000 0.753 283 E CB 2.361 32.019 29.700 -0.070 0.000 1.216 283 E HN 0.077 nan 8.360 nan 0.000 0.434 284 V N 2.626 122.506 119.914 -0.058 0.000 2.588 284 V HA 0.506 4.626 4.120 -0.001 0.000 0.304 284 V C -0.299 175.765 176.094 -0.050 0.000 1.042 284 V CA -1.158 61.116 62.300 -0.043 0.000 0.877 284 V CB 1.870 33.673 31.823 -0.034 0.000 0.996 284 V HN 0.622 nan 8.190 nan 0.000 0.425 285 N N 3.911 122.588 118.700 -0.038 0.000 2.458 285 N HA 0.570 5.310 4.740 -0.001 0.000 0.270 285 N C -1.017 174.470 175.510 -0.038 0.000 1.102 285 N CA -0.423 52.604 53.050 -0.039 0.000 0.967 285 N CB 0.939 39.414 38.487 -0.019 0.000 1.078 285 N HN 0.551 nan 8.380 nan 0.000 0.471 286 L N 1.319 122.505 121.223 -0.062 0.000 2.334 286 L HA 0.760 5.100 4.340 -0.001 0.000 0.276 286 L C 0.811 177.681 176.870 -0.001 0.000 1.014 286 L CA -0.713 54.094 54.840 -0.055 0.000 0.815 286 L CB 1.757 43.738 42.059 -0.130 0.000 1.268 286 L HN 0.619 nan 8.230 nan 0.000 0.428 287 G N 0.130 108.957 108.800 0.045 0.000 2.749 287 G HA2 0.558 4.518 3.960 -0.001 0.000 0.300 287 G HA3 0.558 4.518 3.960 -0.001 0.000 0.300 287 G C -0.250 174.714 174.900 0.107 0.000 1.352 287 G CA 0.201 45.364 45.100 0.106 0.000 0.789 287 G HN 0.599 nan 8.290 nan 0.000 0.509 288 A N -1.500 121.378 122.820 0.095 0.000 2.220 288 A HA 0.580 4.899 4.320 -0.001 0.000 0.211 288 A C 1.817 179.435 177.584 0.056 0.000 1.176 288 A CA 1.455 53.543 52.037 0.085 0.000 0.834 288 A CB -0.858 18.203 19.000 0.101 0.000 0.868 288 A HN 2.621 nan 8.150 nan 0.000 0.488 289 G N 0.241 109.066 108.800 0.043 0.000 2.596 289 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.295 289 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.295 289 G C 0.543 175.455 174.900 0.020 0.000 1.240 289 G CA 0.400 45.517 45.100 0.028 0.000 0.985 289 G HN 0.332 nan 8.290 nan 0.000 0.555 290 E N 1.159 121.364 120.200 0.008 0.000 2.511 290 E HA 0.245 4.595 4.350 -0.001 0.000 0.196 290 E C 1.803 178.388 176.600 -0.024 0.000 1.066 290 E CA 0.877 57.272 56.400 -0.008 0.000 0.871 290 E CB 0.096 29.788 29.700 -0.014 0.000 0.863 290 E HN 0.878 nan 8.360 nan 0.000 0.520 291 A N 0.491 123.309 122.820 -0.004 0.000 2.676 291 A HA 0.382 4.701 4.320 -0.001 0.000 0.297 291 A C 1.263 178.870 177.584 0.039 0.000 1.132 291 A CA -0.026 52.007 52.037 -0.007 0.000 0.972 291 A CB 0.269 19.269 19.000 0.001 0.000 1.197 291 A HN 0.125 nan 8.150 nan 0.000 0.524 292 G N -0.428 108.392 108.800 0.034 0.000 3.523 292 G HA2 0.350 4.310 3.960 -0.001 0.000 0.270 292 G HA3 0.350 4.310 3.960 -0.001 0.000 0.270 292 G C 0.190 175.046 174.900 -0.073 0.000 1.134 292 G CA 0.116 45.258 45.100 0.071 0.000 0.825 292 G HN 0.338 nan 8.290 nan 0.000 0.534 293 S N -0.316 115.321 115.700 -0.105 0.000 2.562 293 S HA 0.589 5.059 4.470 -0.001 0.000 0.275 293 S C -0.158 174.290 174.600 -0.253 0.000 1.281 293 S CA -0.305 57.799 58.200 -0.161 0.000 1.045 293 S CB 1.812 64.951 63.200 -0.103 0.000 0.962 293 S HN 0.119 nan 8.310 nan 0.000 0.503 294 V N 2.548 122.274 119.914 -0.313 0.000 2.709 294 V HA 0.477 4.597 4.120 -0.001 0.000 0.308 294 V C -0.221 175.772 176.094 -0.168 0.000 1.062 294 V CA -0.941 61.161 62.300 -0.331 0.000 0.901 294 V CB 2.052 33.505 31.823 -0.616 0.000 1.003 294 V HN 0.797 nan 8.190 nan 0.000 0.425 295 T N 6.115 120.610 114.554 -0.099 0.000 2.744 295 T HA 0.728 5.078 4.350 -0.001 0.000 0.291 295 T C -0.184 174.548 174.700 0.053 0.000 0.957 295 T CA -0.064 62.024 62.100 -0.020 0.000 1.002 295 T CB 0.442 69.279 68.868 -0.051 0.000 0.919 295 T HN 0.712 nan 8.240 nan 0.000 0.468 296 I N 0.696 121.336 120.570 0.117 0.000 2.934 296 I HA 0.706 4.875 4.170 -0.001 0.000 0.306 296 I C -3.077 173.160 176.117 0.199 0.000 1.110 296 I CA -3.672 57.713 61.300 0.141 0.000 1.019 296 I CB 2.085 40.110 38.000 0.042 0.000 1.227 296 I HN 0.231 nan 8.210 nan 0.000 0.434 297 P HA 0.043 nan 4.420 nan 0.000 0.265 297 P C -0.832 176.389 177.300 -0.132 0.000 1.187 297 P CA -0.032 62.941 63.100 -0.211 0.000 0.766 297 P CB 0.395 31.982 31.700 -0.188 0.000 0.820 298 R N 2.488 122.870 120.500 -0.196 0.000 2.522 298 R HA 0.272 4.612 4.340 -0.001 0.000 0.284 298 R C 1.261 177.511 176.300 -0.084 0.000 1.032 298 R CA 1.421 57.456 56.100 -0.108 0.000 1.049 298 R CB -0.740 29.479 30.300 -0.136 0.000 0.956 298 R HN 0.833 nan 8.270 nan 0.000 0.422 299 G N 2.623 111.393 108.800 -0.051 0.000 2.175 299 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.244 299 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.244 299 G C 0.478 175.363 174.900 -0.025 0.000 0.982 299 G CA 0.088 45.165 45.100 -0.037 0.000 0.641 299 G HN 0.592 nan 8.290 nan 0.000 0.527 300 Q N -0.687 119.099 119.800 -0.022 0.000 2.247 300 Q HA 0.324 4.663 4.340 -0.001 0.000 0.211 300 Q C 2.298 178.297 176.000 -0.001 0.000 0.861 300 Q CA 0.026 55.823 55.803 -0.009 0.000 0.949 300 Q CB 0.314 29.049 28.738 -0.006 0.000 1.115 300 Q HN 0.540 nan 8.270 nan 0.000 0.507 301 L N 2.092 123.312 121.223 -0.005 0.000 2.127 301 L HA -0.194 4.145 4.340 -0.001 0.000 0.211 301 L C 2.037 178.910 176.870 0.005 0.000 1.089 301 L CA 1.949 56.786 54.840 -0.003 0.000 0.757 301 L CB -0.297 41.757 42.059 -0.010 0.000 0.899 301 L HN 0.166 nan 8.230 nan 0.000 0.434 302 K N -1.732 118.671 120.400 0.005 0.000 2.362 302 K HA -0.101 4.219 4.320 -0.001 0.000 0.200 302 K C 1.208 177.818 176.600 0.017 0.000 1.046 302 K CA 1.833 58.126 56.287 0.010 0.000 0.952 302 K CB -0.534 31.970 32.500 0.006 0.000 0.753 302 K HN 0.475 nan 8.250 nan 0.000 0.466 303 N N 0.534 119.245 118.700 0.019 0.000 2.280 303 N HA 0.075 4.814 4.740 -0.001 0.000 0.192 303 N C -0.604 174.929 175.510 0.039 0.000 1.109 303 N CA -0.491 52.575 53.050 0.026 0.000 0.855 303 N CB 0.325 38.825 38.487 0.022 0.000 0.974 303 N HN 0.054 nan 8.380 nan 0.000 0.482 304 L N 1.785 123.033 121.223 0.041 0.000 2.410 304 L HA 0.189 4.529 4.340 -0.001 0.000 0.273 304 L C -0.510 176.412 176.870 0.086 0.000 1.152 304 L CA 0.228 55.106 54.840 0.064 0.000 0.855 304 L CB 0.381 42.469 42.059 0.048 0.000 1.129 304 L HN -0.136 nan 8.230 nan 0.000 0.463 305 K N 4.652 125.120 120.400 0.114 0.000 2.259 305 K HA 0.832 5.152 4.320 -0.001 0.000 0.249 305 K C -1.140 175.552 176.600 0.154 0.000 0.942 305 K CA -0.591 55.762 56.287 0.109 0.000 0.816 305 K CB 1.967 34.514 32.500 0.078 0.000 1.155 305 K HN 0.669 nan 8.250 nan 0.000 0.428 306 A N 0.927 123.816 122.820 0.114 0.000 2.393 306 A HA 0.686 5.005 4.320 -0.001 0.000 0.306 306 A C -0.538 177.096 177.584 0.084 0.000 1.050 306 A CA -0.548 51.501 52.037 0.020 0.000 0.724 306 A CB 1.048 20.015 19.000 -0.056 0.000 1.248 306 A HN 0.745 nan 8.150 nan 0.000 0.424 307 S N 0.598 116.325 115.700 0.046 0.000 2.667 307 S HA 0.912 5.382 4.470 -0.001 0.000 0.292 307 S C -0.815 173.899 174.600 0.190 0.000 1.126 307 S CA -0.578 57.688 58.200 0.110 0.000 0.881 307 S CB 1.343 64.533 63.200 -0.017 0.000 1.132 307 S HN 1.689 nan 8.310 nan 0.000 0.492 308 Y N -1.565 118.747 120.300 0.020 0.000 2.553 308 Y HA 0.853 5.403 4.550 -0.000 0.000 0.347 308 Y C -0.962 174.893 175.900 -0.075 0.000 1.019 308 Y CA -0.935 57.140 58.100 -0.041 0.000 1.032 308 Y CB 1.382 39.734 38.460 -0.181 0.000 1.284 308 Y HN 0.668 nan 8.280 nan 0.000 0.466 309 T N 3.877 118.459 114.554 0.047 0.000 2.861 309 T HA 0.531 4.881 4.350 -0.001 0.000 0.287 309 T C -0.768 173.986 174.700 0.090 0.000 1.003 309 T CA -0.687 61.404 62.100 -0.014 0.000 0.977 309 T CB 1.308 70.158 68.868 -0.031 0.000 0.996 309 T HN 0.652 nan 8.240 nan 0.000 0.448 310 L N 2.664 123.931 121.223 0.073 0.000 2.312 310 L HA 0.321 4.661 4.340 -0.001 0.000 0.281 310 L C 2.067 178.953 176.870 0.026 0.000 1.070 310 L CA -0.609 54.269 54.840 0.063 0.000 0.805 310 L CB 1.312 43.411 42.059 0.067 0.000 1.174 310 L HN 0.914 nan 8.230 nan 0.000 0.434 311 T N -1.311 113.256 114.554 0.022 0.000 2.770 311 T HA -0.065 4.285 4.350 -0.001 0.000 0.263 311 T C 0.704 175.408 174.700 0.007 0.000 1.039 311 T CA 0.547 62.653 62.100 0.011 0.000 1.142 311 T CB 0.046 68.921 68.868 0.011 0.000 0.868 311 T HN 0.338 nan 8.240 nan 0.000 0.435 312 E N 2.384 122.591 120.200 0.012 0.000 2.166 312 E HA 0.412 4.762 4.350 -0.001 0.000 0.275 312 E C -2.375 174.234 176.600 0.015 0.000 0.941 312 E CA -2.985 53.420 56.400 0.008 0.000 0.784 312 E CB 1.850 31.556 29.700 0.010 0.000 1.115 312 E HN 0.118 nan 8.360 nan 0.000 0.399 313 P HA 0.153 nan 4.420 nan 0.000 0.254 313 P C -1.067 176.254 177.300 0.035 0.000 1.494 313 P CA 0.016 63.127 63.100 0.018 0.000 0.961 313 P CB 0.384 32.086 31.700 0.003 0.000 1.493 314 Q N -0.538 119.283 119.800 0.035 0.000 2.418 314 Q HA 0.463 4.802 4.340 -0.001 0.000 0.282 314 Q C -1.384 174.676 176.000 0.099 0.000 1.044 314 Q CA -1.069 54.799 55.803 0.108 0.000 0.813 314 Q CB 1.629 30.367 28.738 -0.000 0.000 1.428 314 Q HN -0.138 nan 8.270 nan 0.000 0.402 315 L N 0.886 122.208 121.223 0.165 0.000 2.295 315 L HA 0.566 4.906 4.340 -0.001 0.000 0.285 315 L C -0.176 176.782 176.870 0.148 0.000 1.035 315 L CA 0.142 55.046 54.840 0.106 0.000 0.806 315 L CB 1.890 43.987 42.059 0.062 0.000 1.214 315 L HN 0.687 nan 8.230 nan 0.000 0.426 316 T N 2.928 117.540 114.554 0.096 0.000 2.824 316 T HA 0.765 5.115 4.350 -0.001 0.000 0.282 316 T C -0.088 174.678 174.700 0.110 0.000 0.993 316 T CA -0.408 61.760 62.100 0.113 0.000 0.967 316 T CB 1.339 70.254 68.868 0.078 0.000 0.960 316 T HN 0.753 nan 8.240 nan 0.000 0.441 317 A N 5.574 128.477 122.820 0.138 0.000 2.386 317 A HA 0.584 4.903 4.320 -0.001 0.000 0.246 317 A C -2.089 175.561 177.584 0.109 0.000 1.089 317 A CA -0.907 51.198 52.037 0.113 0.000 0.790 317 A CB -0.333 18.743 19.000 0.126 0.000 1.042 317 A HN 0.617 nan 8.150 nan 0.000 0.497 318 P HA 0.413 nan 4.420 nan 0.000 0.278 318 P C -1.265 176.063 177.300 0.046 0.000 1.238 318 P CA -0.252 62.883 63.100 0.058 0.000 0.794 318 P CB 0.766 32.493 31.700 0.046 0.000 0.955 319 L N 2.680 123.926 121.223 0.037 0.000 2.346 319 L HA 0.452 4.791 4.340 -0.001 0.000 0.276 319 L C 0.641 177.524 176.870 0.022 0.000 1.006 319 L CA -0.550 54.306 54.840 0.028 0.000 0.817 319 L CB 1.324 43.396 42.059 0.022 0.000 1.272 319 L HN 0.333 nan 8.230 nan 0.000 0.421 320 K N 2.259 122.671 120.400 0.019 0.000 2.182 320 K HA 0.295 4.615 4.320 -0.001 0.000 0.262 320 K C -0.299 176.309 176.600 0.014 0.000 0.957 320 K CA -0.935 55.362 56.287 0.017 0.000 0.842 320 K CB 1.986 34.496 32.500 0.017 0.000 1.099 320 K HN 0.405 nan 8.250 nan 0.000 0.438 321 K N 0.761 121.169 120.400 0.014 0.000 2.466 321 K HA -0.118 4.201 4.320 -0.001 0.000 0.278 321 K C 0.692 177.300 176.600 0.015 0.000 1.048 321 K CA 1.456 57.751 56.287 0.013 0.000 1.088 321 K CB -0.072 32.437 32.500 0.013 0.000 0.884 321 K HN 0.887 nan 8.250 nan 0.000 0.478 322 G N 2.654 111.463 108.800 0.015 0.000 2.213 322 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.226 322 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.226 322 G C 0.034 174.943 174.900 0.015 0.000 0.992 322 G CA 0.124 45.233 45.100 0.015 0.000 0.632 322 G HN 0.660 nan 8.290 nan 0.000 0.511 323 Q N 1.044 120.852 119.800 0.014 0.000 2.274 323 Q HA 0.414 4.754 4.340 -0.001 0.000 0.280 323 Q C 0.530 176.538 176.000 0.014 0.000 1.047 323 Q CA -0.118 55.693 55.803 0.014 0.000 0.907 323 Q CB 0.690 29.437 28.738 0.015 0.000 1.171 323 Q HN 0.325 nan 8.270 nan 0.000 0.381 324 V N 5.099 125.021 119.914 0.014 0.000 2.508 324 V HA 0.048 4.167 4.120 -0.001 0.000 0.281 324 V C 0.554 176.657 176.094 0.015 0.000 1.041 324 V CA -0.075 62.235 62.300 0.015 0.000 1.016 324 V CB 1.213 33.045 31.823 0.016 0.000 0.984 324 V HN 0.750 nan 8.190 nan 0.000 0.478 325 V N 3.421 123.344 119.914 0.015 0.000 3.382 325 V HA 0.629 4.749 4.120 -0.001 0.000 0.296 325 V C 0.754 176.860 176.094 0.020 0.000 1.529 325 V CA 1.001 63.310 62.300 0.014 0.000 1.048 325 V CB 0.353 32.180 31.823 0.006 0.000 0.878 325 V HN 1.155 nan 8.190 nan 0.000 0.442 326 G N -0.257 108.558 108.800 0.025 0.000 2.360 326 G HA2 0.396 4.356 3.960 -0.001 0.000 0.276 326 G HA3 0.396 4.356 3.960 -0.001 0.000 0.276 326 G C -1.010 173.916 174.900 0.042 0.000 1.256 326 G CA 0.299 45.421 45.100 0.038 0.000 0.890 326 G HN -0.016 nan 8.290 nan 0.000 0.486 327 T N 0.253 114.841 114.554 0.057 0.000 2.909 327 T HA 0.670 5.019 4.350 -0.001 0.000 0.299 327 T C -0.653 174.093 174.700 0.075 0.000 1.073 327 T CA -0.303 61.826 62.100 0.048 0.000 0.999 327 T CB 1.829 70.711 68.868 0.025 0.000 1.098 327 T HN 0.546 nan 8.240 nan 0.000 0.477 328 I N 2.092 122.684 120.570 0.037 0.000 2.404 328 I HA 0.445 4.615 4.170 -0.001 0.000 0.293 328 I C -0.690 175.307 176.117 -0.200 0.000 0.992 328 I CA -0.621 60.659 61.300 -0.032 0.000 1.149 328 I CB 1.697 39.634 38.000 -0.105 0.000 1.315 328 I HN 0.545 nan 8.210 nan 0.000 0.446 329 D N 5.526 125.786 120.400 -0.234 0.000 2.362 329 D HA 0.477 5.117 4.640 -0.001 0.000 0.247 329 D C -1.342 174.760 176.300 -0.330 0.000 1.050 329 D CA -0.192 53.691 54.000 -0.195 0.000 0.839 329 D CB 1.167 41.930 40.800 -0.062 0.000 1.283 329 D HN 0.116 nan 8.370 nan 0.000 0.477 330 F N 2.112 122.086 119.950 0.040 0.000 2.427 330 F HA 0.429 4.955 4.527 -0.001 0.000 0.346 330 F C 0.440 176.257 175.800 0.028 0.000 1.120 330 F CA -0.674 57.342 58.000 0.027 0.000 1.033 330 F CB 1.553 40.560 39.000 0.012 0.000 1.126 330 F HN 0.134 nan 8.300 nan 0.000 0.462 331 Q N 2.983 122.896 119.800 0.188 0.000 2.399 331 Q HA 0.769 5.109 4.340 -0.001 0.000 0.276 331 Q C -1.722 174.341 176.000 0.105 0.000 1.098 331 Q CA -1.175 54.700 55.803 0.118 0.000 0.827 331 Q CB 2.988 31.770 28.738 0.073 0.000 1.386 331 Q HN 0.429 nan 8.270 nan 0.000 0.443 332 L N 1.950 123.221 121.223 0.080 0.000 2.438 332 L HA 0.416 4.756 4.340 -0.001 0.000 0.270 332 L C -1.221 175.679 176.870 0.049 0.000 0.972 332 L CA -0.280 54.598 54.840 0.063 0.000 0.831 332 L CB 1.484 43.580 42.059 0.062 0.000 1.273 332 L HN 0.730 nan 8.230 nan 0.000 0.405 333 N N 3.757 122.480 118.700 0.039 0.000 2.714 333 N HA -0.147 4.593 4.740 -0.001 0.000 0.253 333 N C 0.983 176.511 175.510 0.030 0.000 1.024 333 N CA 1.523 54.591 53.050 0.031 0.000 0.726 333 N CB -0.858 37.646 38.487 0.028 0.000 0.908 333 N HN 1.198 nan 8.380 nan 0.000 0.542 334 G N -1.603 107.215 108.800 0.031 0.000 2.184 334 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.264 334 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.264 334 G C 0.082 175.000 174.900 0.029 0.000 0.975 334 G CA 0.862 45.977 45.100 0.026 0.000 0.642 334 G HN 0.527 nan 8.290 nan 0.000 0.536 335 K N 0.460 120.883 120.400 0.038 0.000 2.397 335 K HA 0.587 4.907 4.320 -0.001 0.000 0.253 335 K C 0.048 176.680 176.600 0.054 0.000 0.932 335 K CA -0.201 56.110 56.287 0.041 0.000 0.795 335 K CB 1.865 34.391 32.500 0.042 0.000 1.159 335 K HN 0.174 nan 8.250 nan 0.000 0.424 336 S N 2.862 118.592 115.700 0.050 0.000 2.533 336 S HA 0.131 4.601 4.470 -0.001 0.000 0.282 336 S C 0.905 175.551 174.600 0.077 0.000 1.304 336 S CA -0.440 57.799 58.200 0.065 0.000 1.063 336 S CB 0.088 63.317 63.200 0.049 0.000 0.881 336 S HN 0.612 nan 8.310 nan 0.000 0.493 337 I N 0.868 121.501 120.570 0.106 0.000 4.288 337 I HA 0.595 4.765 4.170 -0.001 0.000 0.331 337 I C 0.186 176.367 176.117 0.107 0.000 1.322 337 I CA -0.249 61.111 61.300 0.100 0.000 1.149 337 I CB 0.206 38.267 38.000 0.101 0.000 1.112 337 I HN 0.524 nan 8.210 nan 0.000 0.403 338 E N 1.353 121.645 120.200 0.153 0.000 2.537 338 E HA 0.300 4.649 4.350 -0.001 0.000 0.301 338 E C -1.575 175.150 176.600 0.208 0.000 0.990 338 E CA -0.446 56.061 56.400 0.179 0.000 0.828 338 E CB 1.842 31.668 29.700 0.210 0.000 1.243 338 E HN 0.247 nan 8.360 nan 0.000 0.414 339 Q N 2.861 122.737 119.800 0.128 0.000 2.333 339 Q HA 0.515 4.855 4.340 -0.001 0.000 0.267 339 Q C -0.897 175.156 176.000 0.088 0.000 1.012 339 Q CA -0.945 54.905 55.803 0.079 0.000 0.824 339 Q CB 1.576 30.339 28.738 0.042 0.000 1.290 339 Q HN 0.248 nan 8.270 nan 0.000 0.449 340 R N 1.928 122.471 120.500 0.072 0.000 2.795 340 R HA 0.550 4.890 4.340 -0.001 0.000 0.275 340 R C -2.670 173.662 176.300 0.053 0.000 0.981 340 R CA -2.395 53.755 56.100 0.083 0.000 0.917 340 R CB 1.157 31.551 30.300 0.156 0.000 1.202 340 R HN 0.476 nan 8.270 nan 0.000 0.469 341 P HA 0.083 nan 4.420 nan 0.000 0.271 341 P C -0.389 176.943 177.300 0.054 0.000 1.216 341 P CA -0.546 62.579 63.100 0.041 0.000 0.776 341 P CB 0.484 32.203 31.700 0.030 0.000 0.881 342 L N 5.162 126.417 121.223 0.053 0.000 2.278 342 L HA 0.400 4.740 4.340 -0.001 0.000 0.287 342 L C -0.046 176.842 176.870 0.030 0.000 1.072 342 L CA -0.247 54.626 54.840 0.054 0.000 0.819 342 L CB -0.637 41.447 42.059 0.042 0.000 1.176 342 L HN 0.303 nan 8.230 nan 0.000 0.435 343 I N 2.652 123.240 120.570 0.030 0.000 2.740 343 I HA 0.577 4.747 4.170 -0.001 0.000 0.303 343 I C -0.637 175.486 176.117 0.010 0.000 1.044 343 I CA -1.176 60.135 61.300 0.019 0.000 1.064 343 I CB 1.993 40.007 38.000 0.024 0.000 1.249 343 I HN 0.144 nan 8.210 nan 0.000 0.433 344 V N 5.619 125.537 119.914 0.006 0.000 2.655 344 V HA 0.046 4.165 4.120 -0.001 0.000 0.300 344 V C 1.131 177.228 176.094 0.006 0.000 1.044 344 V CA 0.001 62.302 62.300 0.002 0.000 1.095 344 V CB 1.170 32.995 31.823 0.004 0.000 0.952 344 V HN 0.768 nan 8.190 nan 0.000 0.485 345 M N 3.361 122.963 119.600 0.003 0.000 2.382 345 M HA 0.272 4.751 4.480 -0.001 0.000 0.247 345 M C 0.479 176.783 176.300 0.007 0.000 1.104 345 M CA 0.499 55.804 55.300 0.008 0.000 1.030 345 M CB -0.363 32.243 32.600 0.009 0.000 1.424 345 M HN 0.867 nan 8.290 nan 0.000 0.486 346 E N 0.066 120.268 120.200 0.004 0.000 2.366 346 E HA 0.390 4.740 4.350 -0.001 0.000 0.278 346 E C -1.347 175.256 176.600 0.006 0.000 0.923 346 E CA -0.720 55.683 56.400 0.004 0.000 0.761 346 E CB 0.884 30.584 29.700 0.001 0.000 1.231 346 E HN 0.080 nan 8.360 nan 0.000 0.443 347 N N 0.528 119.233 118.700 0.009 0.000 2.492 347 N HA 0.256 4.996 4.740 -0.001 0.000 0.262 347 N C -1.042 174.474 175.510 0.011 0.000 1.202 347 N CA -0.117 52.940 53.050 0.011 0.000 0.926 347 N CB 1.124 39.618 38.487 0.013 0.000 1.078 347 N HN 0.205 nan 8.380 nan 0.000 0.454 348 V N 2.441 122.364 119.914 0.015 0.000 2.380 348 V HA 0.165 4.284 4.120 -0.001 0.000 0.286 348 V C 0.034 176.145 176.094 0.029 0.000 1.015 348 V CA -0.853 61.458 62.300 0.018 0.000 0.834 348 V CB 0.924 32.757 31.823 0.017 0.000 1.009 348 V HN 0.634 nan 8.190 nan 0.000 0.428 349 E N 3.197 123.415 120.200 0.030 0.000 2.351 349 E HA 0.348 4.697 4.350 -0.001 0.000 0.255 349 E C -0.178 176.453 176.600 0.052 0.000 1.188 349 E CA -0.726 55.695 56.400 0.036 0.000 0.940 349 E CB 1.151 30.868 29.700 0.029 0.000 1.094 349 E HN 0.684 nan 8.360 nan 0.000 0.474 350 E N 0.403 120.639 120.200 0.059 0.000 2.442 350 E HA 0.179 4.529 4.350 -0.001 0.000 0.262 350 E C 0.684 177.325 176.600 0.068 0.000 1.004 350 E CA 0.032 56.479 56.400 0.079 0.000 0.928 350 E CB 0.242 29.982 29.700 0.066 0.000 0.937 350 E HN 0.584 nan 8.360 nan 0.000 0.446 351 G N 1.680 110.534 108.800 0.091 0.000 2.661 351 G HA2 0.287 4.246 3.960 -0.001 0.000 0.272 351 G HA3 0.287 4.246 3.960 -0.001 0.000 0.272 351 G C 0.233 175.159 174.900 0.043 0.000 1.296 351 G CA -0.022 45.120 45.100 0.070 0.000 0.998 351 G HN 0.520 nan 8.290 nan 0.000 0.553 352 G N 0.000 108.819 108.800 0.032 0.000 5.446 352 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 352 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 352 G CA 0.000 45.122 45.100 0.037 0.000 0.502 352 G HN 0.000 nan 8.290 nan 0.000 0.925