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 1itq_1_B DATA FIRST_RESID 1 DATA SEQUENCE DFFRDEAERI MRDSPVIDGH NDLPWQLLDM FNNRLQDERA NLTTLAGTHT DATA SEQUENCE NIPKLRAGFV GGQFWSVYTP cDTQNKDAVR RTLEQMDVVH RMCRMYPETF DATA SEQUENCE LYVTSSAGIR QAFREGKVAS LIGVEGGHSI DSSLGVLRAL YQLGMRYLTL DATA SEQUENCE THScNTPWAD NWLVDTGDSE PQSQGLSPFG QRVVKELNRL GVLIDLAHVS DATA SEQUENCE VATMKATLQL SRAPVIFSHS SAYSVcASRR NVPDDVLRLV KQTDSLVMVN DATA SEQUENCE FYNNYIScTN KANLSQVADH LDHIKEVAGA RAVGFGGDFD GVPRVPEGLE DATA SEQUENCE DVSKYPDLIA ELLRRNWTEA EVKGALADNL LRVFEAVEQA SNLTQAPEEE DATA SEQUENCE PIPLDQLGGS CRTHYGYSS 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.317 176.300 0.029 0.000 2.045 1 D CA 0.000 54.033 54.000 0.055 0.000 0.868 1 D CB 0.000 40.850 40.800 0.083 0.000 0.688 2 F N 3.256 123.105 119.950 -0.169 0.000 2.095 2 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 2 F C 1.346 176.997 175.800 -0.248 0.000 1.104 2 F CA 1.621 59.454 58.000 -0.278 0.000 1.232 2 F CB -0.076 38.631 39.000 -0.489 0.000 0.987 2 F HN 0.371 nan 8.300 nan 0.000 0.475 3 F N 0.617 120.567 119.950 -0.001 0.000 2.134 3 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 3 F C 2.567 178.262 175.800 -0.176 0.000 1.097 3 F CA 1.625 59.558 58.000 -0.112 0.000 1.264 3 F CB -1.151 37.867 39.000 0.029 0.000 1.001 3 F HN -0.069 nan 8.300 nan 0.000 0.479 4 R N 0.938 121.467 120.500 0.048 0.000 2.096 4 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 4 R C 1.549 177.778 176.300 -0.119 0.000 1.127 4 R CA 1.837 57.918 56.100 -0.032 0.000 0.968 4 R CB -0.833 29.463 30.300 -0.007 0.000 0.861 4 R HN 0.138 nan 8.270 nan 0.000 0.440 5 D N 0.220 120.522 120.400 -0.163 0.000 2.183 5 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 5 D C 1.497 177.641 176.300 -0.260 0.000 0.969 5 D CA 0.848 54.731 54.000 -0.195 0.000 0.842 5 D CB -0.050 40.638 40.800 -0.187 0.000 0.957 5 D HN 0.290 nan 8.370 nan 0.000 0.484 6 E N 0.736 120.719 120.200 -0.362 0.000 2.107 6 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 6 E C 2.076 178.554 176.600 -0.204 0.000 0.982 6 E CA 0.490 56.694 56.400 -0.327 0.000 0.809 6 E CB -0.053 29.385 29.700 -0.435 0.000 0.756 6 E HN 0.162 nan 8.360 nan 0.000 0.459 7 A N 1.701 124.413 122.820 -0.181 0.000 1.865 7 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 7 A C 2.012 179.407 177.584 -0.314 0.000 1.191 7 A CA 1.647 53.572 52.037 -0.186 0.000 0.623 7 A CB -0.550 18.354 19.000 -0.161 0.000 0.826 7 A HN 0.206 nan 8.150 nan 0.000 0.444 8 E N -1.013 118.952 120.200 -0.392 0.000 2.204 8 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 8 E C 2.274 178.650 176.600 -0.373 0.000 0.990 8 E CA 0.991 57.019 56.400 -0.621 0.000 0.821 8 E CB -0.155 29.291 29.700 -0.423 0.000 0.750 8 E HN 0.600 nan 8.360 nan 0.000 0.477 9 R N 0.906 121.274 120.500 -0.220 0.000 2.062 9 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 9 R C 2.291 178.532 176.300 -0.099 0.000 1.128 9 R CA 0.980 57.006 56.100 -0.123 0.000 0.960 9 R CB -0.080 30.153 30.300 -0.112 0.000 0.855 9 R HN 0.126 nan 8.270 nan 0.000 0.432 10 I N 0.546 121.049 120.570 -0.112 0.000 2.315 10 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 10 I C 2.317 178.391 176.117 -0.071 0.000 1.117 10 I CA 1.227 62.489 61.300 -0.064 0.000 1.404 10 I CB -0.163 37.813 38.000 -0.039 0.000 1.071 10 I HN 0.265 nan 8.210 nan 0.000 0.419 11 M N -0.081 119.429 119.600 -0.150 0.000 2.460 11 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 11 M C 2.261 178.572 176.300 0.019 0.000 1.071 11 M CA 1.397 56.622 55.300 -0.125 0.000 1.096 11 M CB -0.312 32.088 32.600 -0.334 0.000 1.408 11 M HN 0.154 nan 8.290 nan 0.000 0.463 12 R N 0.298 120.818 120.500 0.034 0.000 2.090 12 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 12 R C 0.952 177.245 176.300 -0.011 0.000 1.110 12 R CA 0.998 57.159 56.100 0.102 0.000 0.973 12 R CB -0.155 30.203 30.300 0.097 0.000 0.869 12 R HN 0.403 nan 8.270 nan 0.000 0.440 13 D N -0.733 119.650 120.400 -0.028 0.000 2.349 13 D HA 0.072 4.712 4.640 -0.000 0.000 0.214 13 D C -0.173 176.088 176.300 -0.065 0.000 1.063 13 D CA 0.493 54.471 54.000 -0.037 0.000 0.847 13 D CB 0.849 41.649 40.800 -0.001 0.000 0.933 13 D HN -0.094 nan 8.370 nan 0.000 0.513 14 S N 1.276 116.921 115.700 -0.093 0.000 2.488 14 S HA 0.264 4.734 4.470 -0.000 0.000 0.151 14 S C -2.698 171.837 174.600 -0.109 0.000 1.401 14 S CA -0.827 57.326 58.200 -0.079 0.000 1.221 14 S CB 1.951 65.172 63.200 0.036 0.000 1.407 14 S HN -0.094 nan 8.310 nan 0.000 0.406 15 P HA 0.081 nan 4.420 nan 0.000 0.270 15 P C -0.081 177.214 177.300 -0.010 0.000 1.223 15 P CA -0.330 62.659 63.100 -0.185 0.000 0.785 15 P CB 0.542 31.987 31.700 -0.425 0.000 0.923 16 V N 3.910 123.825 119.914 0.000 0.000 2.614 16 V HA 0.228 4.348 4.120 -0.000 0.000 0.291 16 V C -0.277 175.867 176.094 0.083 0.000 1.049 16 V CA -0.112 62.202 62.300 0.024 0.000 1.038 16 V CB -0.342 31.324 31.823 -0.261 0.000 0.980 16 V HN 0.272 nan 8.190 nan 0.000 0.481 17 I N 5.920 126.612 120.570 0.203 0.000 2.359 17 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 17 I C -0.303 175.936 176.117 0.202 0.000 1.018 17 I CA -0.373 61.055 61.300 0.213 0.000 1.173 17 I CB 1.398 39.565 38.000 0.278 0.000 1.326 17 I HN 0.686 nan 8.210 nan 0.000 0.462 18 D N 3.862 124.332 120.400 0.116 0.000 2.255 18 D HA 0.324 4.963 4.640 -0.000 0.000 0.249 18 D C 1.152 177.578 176.300 0.210 0.000 1.078 18 D CA -0.068 54.016 54.000 0.141 0.000 0.896 18 D CB 1.697 42.539 40.800 0.069 0.000 1.194 18 D HN 0.604 nan 8.370 nan 0.000 0.429 19 G N 1.306 110.210 108.800 0.173 0.000 2.939 19 G HA2 0.003 3.963 3.960 -0.000 0.000 0.210 19 G HA3 0.003 3.963 3.960 -0.000 0.000 0.210 19 G C -0.112 174.939 174.900 0.252 0.000 1.160 19 G CA 0.214 45.402 45.100 0.146 0.000 0.770 19 G HN 0.618 nan 8.290 nan 0.000 0.543 20 H N -0.768 118.324 119.070 0.038 0.000 3.267 20 H HA 0.328 4.884 4.556 -0.000 0.000 0.319 20 H C -1.780 173.516 175.328 -0.054 0.000 1.191 20 H CA -0.703 55.323 56.048 -0.035 0.000 1.562 20 H CB 0.628 30.211 29.762 -0.300 0.000 2.076 20 H HN 0.037 nan 8.280 nan 0.000 0.429 21 N N 3.348 121.902 118.700 -0.244 0.000 2.346 21 N HA 0.118 4.858 4.740 -0.000 0.000 0.289 21 N C -0.847 174.662 175.510 -0.003 0.000 1.027 21 N CA -0.407 52.624 53.050 -0.031 0.000 0.864 21 N CB 1.809 40.296 38.487 0.000 0.000 1.370 21 N HN 0.697 nan 8.380 nan 0.000 0.481 22 D N 3.599 124.051 120.400 0.086 0.000 2.538 22 D HA -0.001 4.639 4.640 -0.000 0.000 0.234 22 D C 1.587 178.064 176.300 0.294 0.000 1.191 22 D CA -0.211 53.888 54.000 0.166 0.000 0.828 22 D CB 0.576 41.478 40.800 0.169 0.000 0.981 22 D HN 0.462 nan 8.370 nan 0.000 0.490 23 L N 1.688 123.113 121.223 0.337 0.000 2.042 23 L HA -0.067 4.272 4.340 -0.000 0.000 0.210 23 L C -0.943 176.006 176.870 0.131 0.000 1.076 23 L CA 2.109 57.094 54.840 0.242 0.000 0.749 23 L CB -1.172 41.033 42.059 0.244 0.000 0.893 23 L HN -0.034 nan 8.230 nan 0.000 0.432 24 P HA -0.262 nan 4.420 nan 0.000 0.216 24 P C 1.520 178.893 177.300 0.123 0.000 1.154 24 P CA 1.969 65.103 63.100 0.058 0.000 0.865 24 P CB -0.495 31.259 31.700 0.090 0.000 0.789 25 W N 0.213 121.557 121.300 0.074 0.000 2.374 25 W HA -0.183 4.477 4.660 -0.000 0.000 0.288 25 W C 1.523 178.068 176.519 0.043 0.000 1.218 25 W CA 1.222 58.622 57.345 0.092 0.000 1.245 25 W CB -0.344 29.238 29.460 0.204 0.000 1.126 25 W HN 0.010 nan 8.180 nan 0.000 0.545 26 Q N 0.714 120.504 119.800 -0.016 0.000 2.079 26 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 26 Q C 2.459 178.321 176.000 -0.231 0.000 0.974 26 Q CA 1.429 57.142 55.803 -0.149 0.000 0.840 26 Q CB -0.973 27.760 28.738 -0.007 0.000 0.898 26 Q HN 0.445 nan 8.270 nan 0.000 0.430 27 L N 0.248 121.417 121.223 -0.091 0.000 2.083 27 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 27 L C 2.364 179.177 176.870 -0.096 0.000 1.083 27 L CA 0.675 55.529 54.840 0.024 0.000 0.752 27 L CB -0.564 41.523 42.059 0.048 0.000 0.899 27 L HN 0.200 nan 8.230 nan 0.000 0.433 28 L N 0.287 121.366 121.223 -0.239 0.000 2.005 28 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 28 L C 2.060 178.660 176.870 -0.450 0.000 1.072 28 L CA 2.061 56.709 54.840 -0.321 0.000 0.744 28 L CB -0.625 41.184 42.059 -0.416 0.000 0.895 28 L HN 0.146 nan 8.230 nan 0.000 0.433 29 D N -1.059 118.922 120.400 -0.697 0.000 2.149 29 D HA -0.235 4.405 4.640 -0.000 0.000 0.198 29 D C 2.029 178.055 176.300 -0.456 0.000 0.990 29 D CA 1.943 55.569 54.000 -0.624 0.000 0.839 29 D CB 0.004 40.371 40.800 -0.722 0.000 0.948 29 D HN 0.424 nan 8.370 nan 0.000 0.460 30 M N -1.606 117.647 119.600 -0.579 0.000 2.357 30 M HA 0.081 4.561 4.480 -0.000 0.000 0.266 30 M C 0.552 176.317 176.300 -0.891 0.000 1.095 30 M CA 0.711 55.501 55.300 -0.851 0.000 1.156 30 M CB 0.357 32.153 32.600 -1.339 0.000 1.365 30 M HN 0.006 nan 8.290 nan 0.000 0.447 31 F N -1.442 118.441 119.950 -0.112 0.000 2.798 31 F HA 0.346 4.873 4.527 -0.000 0.000 0.328 31 F C 0.563 176.309 175.800 -0.089 0.000 1.098 31 F CA -0.683 57.266 58.000 -0.085 0.000 1.172 31 F CB -0.279 38.680 39.000 -0.068 0.000 1.072 31 F HN 0.080 nan 8.300 nan 0.000 0.555 32 N N 2.179 120.870 118.700 -0.014 0.000 2.754 32 N HA -0.278 4.462 4.740 -0.000 0.000 0.248 32 N C -0.035 175.473 175.510 -0.004 0.000 1.093 32 N CA 1.014 54.040 53.050 -0.040 0.000 0.699 32 N CB -1.420 37.051 38.487 -0.027 0.000 1.016 32 N HN 0.440 nan 8.380 nan 0.000 0.552 33 N N -1.790 116.922 118.700 0.020 0.000 2.828 33 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 33 N C -0.594 174.930 175.510 0.023 0.000 1.044 33 N CA 1.120 54.181 53.050 0.019 0.000 0.851 33 N CB -1.053 37.420 38.487 -0.023 0.000 1.136 33 N HN 0.601 nan 8.380 nan 0.000 0.572 34 R N 1.220 121.752 120.500 0.052 0.000 2.441 34 R HA 0.190 4.530 4.340 -0.000 0.000 0.300 34 R C 1.572 177.834 176.300 -0.064 0.000 1.284 34 R CA -0.116 55.985 56.100 0.002 0.000 1.069 34 R CB 0.063 30.373 30.300 0.017 0.000 1.087 34 R HN 0.251 nan 8.270 nan 0.000 0.519 35 L N 1.684 122.868 121.223 -0.066 0.000 2.291 35 L HA -0.143 4.197 4.340 -0.000 0.000 0.214 35 L C 1.810 178.613 176.870 -0.112 0.000 1.120 35 L CA 1.172 55.958 54.840 -0.090 0.000 0.799 35 L CB -0.144 41.896 42.059 -0.031 0.000 0.925 35 L HN 0.596 nan 8.230 nan 0.000 0.446 36 Q N -0.604 119.135 119.800 -0.102 0.000 2.435 36 Q HA -0.066 4.274 4.340 -0.000 0.000 0.207 36 Q C 0.458 176.387 176.000 -0.118 0.000 0.956 36 Q CA 0.047 55.791 55.803 -0.098 0.000 0.917 36 Q CB 0.109 28.801 28.738 -0.077 0.000 0.997 36 Q HN 0.319 nan 8.270 nan 0.000 0.497 37 D N 0.812 121.114 120.400 -0.164 0.000 2.458 37 D HA -0.090 4.549 4.640 -0.000 0.000 0.243 37 D C 0.615 176.776 176.300 -0.232 0.000 1.146 37 D CA 0.331 54.217 54.000 -0.190 0.000 0.877 37 D CB 1.296 41.942 40.800 -0.257 0.000 1.176 37 D HN -0.030 nan 8.370 nan 0.000 0.461 38 E N 3.168 123.280 120.200 -0.147 0.000 2.268 38 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 38 E C 1.806 178.321 176.600 -0.142 0.000 0.995 38 E CA 0.923 57.252 56.400 -0.117 0.000 0.836 38 E CB 0.174 29.837 29.700 -0.062 0.000 0.763 38 E HN 0.447 nan 8.360 nan 0.000 0.491 39 R N -0.571 119.820 120.500 -0.182 0.000 2.115 39 R HA 0.027 4.367 4.340 -0.000 0.000 0.230 39 R C 1.961 178.053 176.300 -0.347 0.000 1.111 39 R CA 1.061 57.088 56.100 -0.123 0.000 0.976 39 R CB -0.154 30.200 30.300 0.090 0.000 0.870 39 R HN 0.092 nan 8.270 nan 0.000 0.445 40 A N 1.390 123.696 122.820 -0.857 0.000 2.238 40 A HA -0.041 4.279 4.320 -0.000 0.000 0.208 40 A C 0.648 178.046 177.584 -0.310 0.000 1.177 40 A CA -0.220 51.222 52.037 -0.992 0.000 0.804 40 A CB -0.371 17.842 19.000 -1.312 0.000 0.823 40 A HN 0.167 nan 8.150 nan 0.000 0.482 41 N N 1.302 119.905 118.700 -0.163 0.000 2.434 41 N HA 0.037 4.777 4.740 -0.000 0.000 0.268 41 N C 0.718 176.211 175.510 -0.028 0.000 1.256 41 N CA 0.140 53.194 53.050 0.006 0.000 0.914 41 N CB 0.395 38.893 38.487 0.019 0.000 1.088 41 N HN 0.399 nan 8.380 nan 0.000 0.478 42 L N 2.597 123.752 121.223 -0.114 0.000 2.362 42 L HA -0.134 4.206 4.340 -0.000 0.000 0.219 42 L C 2.140 178.904 176.870 -0.176 0.000 1.134 42 L CA 1.150 55.838 54.840 -0.254 0.000 0.807 42 L CB -0.564 41.139 42.059 -0.592 0.000 0.927 42 L HN 0.636 nan 8.230 nan 0.000 0.447 43 T N -5.322 109.175 114.554 -0.095 0.000 3.043 43 T HA -0.072 4.278 4.350 -0.000 0.000 0.263 43 T C 1.490 176.178 174.700 -0.021 0.000 1.094 43 T CA 1.083 63.156 62.100 -0.046 0.000 1.127 43 T CB -0.163 68.713 68.868 0.013 0.000 0.905 43 T HN 0.371 nan 8.240 nan 0.000 0.490 44 T N -0.888 113.660 114.554 -0.011 0.000 3.170 44 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 44 T C 0.174 174.879 174.700 0.008 0.000 0.992 44 T CA -0.680 61.420 62.100 -0.000 0.000 0.909 44 T CB -0.325 68.546 68.868 0.004 0.000 1.133 44 T HN 0.249 nan 8.240 nan 0.000 0.530 45 L N 3.167 124.393 121.223 0.005 0.000 2.540 45 L HA 0.606 4.946 4.340 -0.000 0.000 0.276 45 L C -0.001 176.895 176.870 0.043 0.000 1.212 45 L CA -0.029 54.832 54.840 0.036 0.000 0.893 45 L CB -0.246 41.837 42.059 0.040 0.000 1.138 45 L HN 0.426 nan 8.230 nan 0.000 0.491 46 A N 3.367 126.222 122.820 0.059 0.000 2.413 46 A HA 0.736 5.056 4.320 -0.000 0.000 0.307 46 A C 0.622 178.230 177.584 0.040 0.000 1.087 46 A CA -0.002 52.061 52.037 0.043 0.000 0.750 46 A CB 1.394 20.416 19.000 0.036 0.000 1.296 46 A HN 1.807 nan 8.150 nan 0.000 0.423 47 G N 0.194 109.005 108.800 0.019 0.000 2.144 47 G HA2 0.082 4.042 3.960 -0.000 0.000 0.218 47 G HA3 0.082 4.042 3.960 -0.000 0.000 0.218 47 G C 0.263 175.134 174.900 -0.048 0.000 0.988 47 G CA 0.861 45.957 45.100 -0.006 0.000 0.659 47 G HN 2.309 nan 8.290 nan 0.000 0.522 48 T N -4.151 110.378 114.554 -0.043 0.000 2.865 48 T HA 0.653 5.003 4.350 -0.000 0.000 0.294 48 T C 0.570 175.236 174.700 -0.058 0.000 1.119 48 T CA -0.023 62.017 62.100 -0.099 0.000 1.007 48 T CB 1.475 70.341 68.868 -0.004 0.000 1.225 48 T HN 0.177 nan 8.240 nan 0.000 0.515 49 H N -0.353 118.756 119.070 0.064 0.000 2.535 49 H HA 0.256 4.812 4.556 -0.000 0.000 0.273 49 H C 0.324 175.613 175.328 -0.066 0.000 0.983 49 H CA 0.275 56.307 56.048 -0.026 0.000 1.238 49 H CB 0.442 30.208 29.762 0.007 0.000 1.412 49 H HN 0.555 nan 8.280 nan 0.000 0.562 50 T N 1.262 115.901 114.554 0.142 0.000 2.887 50 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 50 T C -0.506 174.269 174.700 0.125 0.000 1.021 50 T CA -1.081 61.113 62.100 0.156 0.000 1.000 50 T CB 2.030 71.078 68.868 0.300 0.000 1.034 50 T HN 0.437 nan 8.240 nan 0.000 0.467 51 N N 0.409 119.179 118.700 0.117 0.000 3.533 51 N HA 0.210 4.950 4.740 -0.000 0.000 0.229 51 N C 0.052 175.587 175.510 0.041 0.000 1.418 51 N CA -0.930 52.157 53.050 0.061 0.000 0.880 51 N CB -0.094 38.405 38.487 0.020 0.000 1.415 51 N HN 0.443 nan 8.380 nan 0.000 0.491 52 I N -0.248 120.298 120.570 -0.040 0.000 2.099 52 I HA -0.092 4.078 4.170 -0.000 0.000 0.239 52 I C -0.664 175.412 176.117 -0.069 0.000 1.066 52 I CA 1.405 62.645 61.300 -0.100 0.000 1.324 52 I CB -1.189 36.692 38.000 -0.198 0.000 1.037 52 I HN 0.545 nan 8.210 nan 0.000 0.401 53 P HA -0.190 nan 4.420 nan 0.000 0.216 53 P C 1.324 178.605 177.300 -0.032 0.000 1.150 53 P CA 1.729 64.802 63.100 -0.046 0.000 0.837 53 P CB -0.099 31.582 31.700 -0.032 0.000 0.786 54 K N -0.443 119.951 120.400 -0.009 0.000 2.097 54 K HA -0.010 4.309 4.320 -0.000 0.000 0.205 54 K C 2.385 178.998 176.600 0.021 0.000 1.050 54 K CA 0.847 57.137 56.287 0.004 0.000 0.938 54 K CB -0.528 31.975 32.500 0.006 0.000 0.718 54 K HN 0.136 nan 8.250 nan 0.000 0.442 55 L N 0.650 121.893 121.223 0.034 0.000 2.083 55 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 55 L C 2.429 179.287 176.870 -0.019 0.000 1.083 55 L CA 0.947 55.818 54.840 0.053 0.000 0.752 55 L CB -0.229 41.891 42.059 0.101 0.000 0.899 55 L HN 0.132 nan 8.230 nan 0.000 0.433 56 R N -0.005 120.449 120.500 -0.076 0.000 2.090 56 R HA -0.018 4.322 4.340 -0.000 0.000 0.228 56 R C 2.190 178.337 176.300 -0.254 0.000 1.110 56 R CA 1.337 57.335 56.100 -0.169 0.000 0.973 56 R CB -0.845 29.358 30.300 -0.162 0.000 0.869 56 R HN 0.303 nan 8.270 nan 0.000 0.440 57 A N 0.156 122.899 122.820 -0.129 0.000 2.066 57 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 57 A C 2.054 179.703 177.584 0.109 0.000 1.157 57 A CA 1.350 53.347 52.037 -0.067 0.000 0.670 57 A CB -0.440 18.559 19.000 -0.001 0.000 0.804 57 A HN 0.379 nan 8.150 nan 0.000 0.453 58 G N -2.909 105.968 108.800 0.130 0.000 2.985 58 G HA2 0.289 4.249 3.960 -0.000 0.000 0.209 58 G HA3 0.289 4.249 3.960 -0.000 0.000 0.209 58 G C 0.349 175.470 174.900 0.368 0.000 1.165 58 G CA 0.103 45.381 45.100 0.296 0.000 0.776 58 G HN 0.361 nan 8.290 nan 0.000 0.541 59 F N -1.073 118.871 119.950 -0.009 0.000 3.080 59 F HA -0.181 4.346 4.527 -0.000 0.000 0.292 59 F C 0.470 176.208 175.800 -0.103 0.000 0.891 59 F CA -0.277 57.689 58.000 -0.056 0.000 1.086 59 F CB -2.114 36.853 39.000 -0.055 0.000 1.095 59 F HN -0.027 nan 8.300 nan 0.000 0.633 60 V N 0.061 119.973 119.914 -0.004 0.000 2.432 60 V HA 0.518 4.638 4.120 -0.000 0.000 0.271 60 V C 1.203 177.303 176.094 0.009 0.000 1.046 60 V CA 0.809 63.076 62.300 -0.056 0.000 0.945 60 V CB 1.228 33.010 31.823 -0.069 0.000 0.992 60 V HN 0.472 nan 8.190 nan 0.000 0.471 61 G N 3.021 111.862 108.800 0.067 0.000 3.441 61 G HA2 0.554 4.514 3.960 -0.000 0.000 0.263 61 G HA3 0.554 4.514 3.960 -0.000 0.000 0.263 61 G C 0.334 175.468 174.900 0.389 0.000 1.014 61 G CA 0.413 45.631 45.100 0.196 0.000 0.833 61 G HN 1.031 nan 8.290 nan 0.000 0.514 62 G N -0.341 108.596 108.800 0.228 0.000 2.760 62 G HA2 0.502 4.462 3.960 -0.000 0.000 0.296 62 G HA3 0.502 4.462 3.960 -0.000 0.000 0.296 62 G C -1.957 172.925 174.900 -0.030 0.000 1.427 62 G CA -0.524 44.648 45.100 0.119 0.000 1.109 62 G HN 0.193 nan 8.290 nan 0.000 0.553 63 Q N 1.277 120.958 119.800 -0.198 0.000 2.263 63 Q HA 0.586 4.926 4.340 -0.000 0.000 0.262 63 Q C -1.856 173.786 176.000 -0.596 0.000 0.984 63 Q CA -0.680 54.852 55.803 -0.451 0.000 0.813 63 Q CB 1.370 29.582 28.738 -0.876 0.000 1.299 63 Q HN 0.395 nan 8.270 nan 0.000 0.428 64 F N 3.498 123.235 119.950 -0.355 0.000 2.404 64 F HA 0.364 4.891 4.527 -0.000 0.000 0.359 64 F C -0.396 175.197 175.800 -0.345 0.000 1.134 64 F CA -0.003 57.855 58.000 -0.237 0.000 1.160 64 F CB 0.536 39.550 39.000 0.024 0.000 1.186 64 F HN 0.471 nan 8.300 nan 0.000 0.526 65 W N 3.199 124.502 121.300 0.004 0.000 2.311 65 W HA 0.293 4.953 4.660 -0.000 0.000 0.310 65 W C 0.567 177.027 176.519 -0.097 0.000 1.274 65 W CA -0.599 56.712 57.345 -0.056 0.000 1.215 65 W CB 0.972 30.377 29.460 -0.092 0.000 1.227 65 W HN 0.294 nan 8.180 nan 0.000 0.523 66 S N 3.079 118.806 115.700 0.046 0.000 2.505 66 S HA 0.308 4.778 4.470 -0.000 0.000 0.276 66 S C -0.554 174.109 174.600 0.105 0.000 1.274 66 S CA -0.593 57.577 58.200 -0.051 0.000 1.053 66 S CB 0.252 63.185 63.200 -0.445 0.000 0.919 66 S HN 0.277 nan 8.310 nan 0.000 0.490 67 V N 7.812 127.789 119.914 0.105 0.000 2.304 67 V HA 0.348 4.468 4.120 -0.000 0.000 0.269 67 V C -0.604 175.596 176.094 0.177 0.000 1.036 67 V CA -0.581 61.788 62.300 0.115 0.000 0.840 67 V CB -0.141 31.711 31.823 0.047 0.000 1.036 67 V HN 0.852 nan 8.190 nan 0.000 0.466 68 Y N 3.765 124.106 120.300 0.069 0.000 2.425 68 Y HA 0.701 5.251 4.550 -0.000 0.000 0.344 68 Y C -0.174 175.740 175.900 0.023 0.000 0.969 68 Y CA -0.420 57.683 58.100 0.005 0.000 1.052 68 Y CB 2.291 40.721 38.460 -0.051 0.000 1.215 68 Y HN 0.475 nan 8.280 nan 0.000 0.451 69 T N 7.891 122.004 114.554 -0.735 0.000 2.881 69 T HA 0.505 4.854 4.350 -0.000 0.000 0.290 69 T C -2.967 171.232 174.700 -0.835 0.000 1.000 69 T CA -2.260 59.463 62.100 -0.629 0.000 0.978 69 T CB 1.301 70.061 68.868 -0.180 0.000 0.997 69 T HN 0.479 nan 8.240 nan 0.000 0.443 70 P HA 0.104 nan 4.420 nan 0.000 0.267 70 P C 0.685 177.887 177.300 -0.163 0.000 1.201 70 P CA -0.292 62.533 63.100 -0.458 0.000 0.775 70 P CB 0.362 31.905 31.700 -0.263 0.000 0.854 71 c N 0.932 119.440 118.600 -0.154 0.000 2.410 71 c HA -0.131 4.439 4.570 -0.000 0.000 0.281 71 c C 1.961 175.951 174.090 -0.166 0.000 1.318 71 c CA 1.601 57.749 56.329 -0.301 0.000 1.776 71 c CB -1.602 40.825 42.510 -0.139 0.000 1.942 71 c HN 0.700 nan 8.230 nan 0.000 0.508 72 D N 0.481 120.840 120.400 -0.069 0.000 2.378 72 D HA -0.094 4.546 4.640 -0.000 0.000 0.227 72 D C 1.599 177.898 176.300 -0.001 0.000 1.012 72 D CA 1.473 55.458 54.000 -0.025 0.000 0.905 72 D CB -0.756 40.045 40.800 0.002 0.000 0.895 72 D HN 0.598 nan 8.370 nan 0.000 0.532 73 T N -3.386 111.174 114.554 0.010 0.000 3.065 73 T HA -0.035 4.314 4.350 -0.000 0.000 0.252 73 T C 0.960 175.715 174.700 0.092 0.000 1.099 73 T CA -0.323 61.809 62.100 0.053 0.000 1.063 73 T CB -0.233 68.672 68.868 0.062 0.000 0.948 73 T HN 0.207 nan 8.240 nan 0.000 0.506 74 Q N 1.651 121.508 119.800 0.095 0.000 2.286 74 Q HA 0.045 4.384 4.340 -0.000 0.000 0.290 74 Q C -0.275 175.770 176.000 0.075 0.000 1.049 74 Q CA 0.278 56.155 55.803 0.124 0.000 0.923 74 Q CB 0.003 28.767 28.738 0.043 0.000 1.183 74 Q HN 0.378 nan 8.270 nan 0.000 0.383 75 N N 2.201 120.954 118.700 0.089 0.000 2.782 75 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 75 N C -1.005 174.534 175.510 0.048 0.000 1.101 75 N CA 1.722 54.810 53.050 0.063 0.000 0.764 75 N CB -0.717 37.798 38.487 0.046 0.000 1.122 75 N HN 0.710 nan 8.380 nan 0.000 0.561 76 K N -0.675 119.758 120.400 0.054 0.000 3.668 76 K HA 0.152 4.472 4.320 -0.000 0.000 0.305 76 K C -0.192 176.436 176.600 0.046 0.000 1.158 76 K CA 0.103 56.416 56.287 0.042 0.000 1.442 76 K CB 0.099 32.621 32.500 0.037 0.000 3.241 76 K HN 0.064 nan 8.250 nan 0.000 0.985 77 D N 0.876 121.304 120.400 0.047 0.000 2.559 77 D HA 0.195 4.835 4.640 -0.000 0.000 0.234 77 D C 0.880 177.209 176.300 0.047 0.000 1.226 77 D CA -0.082 53.944 54.000 0.043 0.000 0.830 77 D CB 0.630 41.450 40.800 0.034 0.000 1.028 77 D HN 0.321 nan 8.370 nan 0.000 0.492 78 A N 0.471 123.330 122.820 0.065 0.000 1.908 78 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 78 A C 2.167 179.770 177.584 0.031 0.000 1.181 78 A CA 1.598 53.673 52.037 0.063 0.000 0.627 78 A CB -0.622 18.451 19.000 0.122 0.000 0.818 78 A HN 0.215 nan 8.150 nan 0.000 0.445 79 V N -0.154 119.787 119.914 0.046 0.000 2.379 79 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 79 V C 2.581 178.697 176.094 0.035 0.000 1.044 79 V CA 1.992 64.317 62.300 0.043 0.000 1.036 79 V CB -0.857 31.000 31.823 0.057 0.000 0.664 79 V HN 0.655 nan 8.190 nan 0.000 0.453 80 R N 0.533 121.053 120.500 0.034 0.000 2.082 80 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 80 R C 2.571 178.885 176.300 0.023 0.000 1.136 80 R CA 1.933 58.050 56.100 0.028 0.000 0.935 80 R CB -0.255 30.061 30.300 0.026 0.000 0.842 80 R HN 0.400 nan 8.270 nan 0.000 0.430 81 R N -0.521 119.992 120.500 0.022 0.000 2.120 81 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 81 R C 2.214 178.523 176.300 0.016 0.000 1.123 81 R CA 1.821 57.933 56.100 0.021 0.000 0.975 81 R CB -0.335 29.982 30.300 0.028 0.000 0.866 81 R HN 0.352 nan 8.270 nan 0.000 0.446 82 T N 1.614 116.173 114.554 0.009 0.000 2.788 82 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 82 T C 1.882 176.591 174.700 0.016 0.000 1.044 82 T CA 0.914 63.018 62.100 0.006 0.000 1.139 82 T CB -0.046 68.824 68.868 0.003 0.000 0.867 82 T HN 0.153 nan 8.240 nan 0.000 0.454 83 L N 0.591 121.828 121.223 0.023 0.000 2.072 83 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 83 L C 2.723 179.603 176.870 0.017 0.000 1.079 83 L CA 1.333 56.191 54.840 0.030 0.000 0.752 83 L CB -0.581 41.499 42.059 0.036 0.000 0.906 83 L HN 0.335 nan 8.230 nan 0.000 0.436 84 E N -0.251 119.955 120.200 0.010 0.000 2.077 84 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 84 E C 2.252 178.842 176.600 -0.017 0.000 0.989 84 E CA 0.908 57.307 56.400 -0.001 0.000 0.800 84 E CB -0.016 29.683 29.700 -0.001 0.000 0.746 84 E HN 0.443 nan 8.360 nan 0.000 0.452 85 Q N 0.005 119.800 119.800 -0.008 0.000 2.167 85 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 85 Q C 2.098 178.059 176.000 -0.065 0.000 0.970 85 Q CA 1.138 56.934 55.803 -0.011 0.000 0.855 85 Q CB -0.146 28.617 28.738 0.041 0.000 0.911 85 Q HN 0.410 nan 8.270 nan 0.000 0.438 86 M N 0.150 119.704 119.600 -0.077 0.000 2.200 86 M HA -0.148 4.332 4.480 -0.000 0.000 0.265 86 M C 1.641 177.741 176.300 -0.334 0.000 1.066 86 M CA 1.378 56.559 55.300 -0.197 0.000 1.127 86 M CB -0.220 32.323 32.600 -0.094 0.000 1.379 86 M HN 0.069 nan 8.290 nan 0.000 0.420 87 D N 0.274 120.613 120.400 -0.102 0.000 2.097 87 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 87 D C 1.837 178.087 176.300 -0.082 0.000 0.989 87 D CA 1.093 55.087 54.000 -0.010 0.000 0.827 87 D CB 0.024 40.835 40.800 0.019 0.000 0.966 87 D HN 0.064 nan 8.370 nan 0.000 0.456 88 V N -0.412 119.439 119.914 -0.104 0.000 2.469 88 V HA -0.193 3.927 4.120 -0.000 0.000 0.251 88 V C 2.312 178.288 176.094 -0.197 0.000 1.064 88 V CA 1.527 63.756 62.300 -0.119 0.000 1.066 88 V CB -0.160 31.605 31.823 -0.097 0.000 0.667 88 V HN 0.202 nan 8.190 nan 0.000 0.461 89 V N -0.308 119.446 119.914 -0.266 0.000 2.358 89 V HA -0.268 3.851 4.120 -0.000 0.000 0.246 89 V C 2.159 178.083 176.094 -0.283 0.000 1.047 89 V CA 2.474 64.567 62.300 -0.344 0.000 1.035 89 V CB -0.983 30.670 31.823 -0.285 0.000 0.658 89 V HN 0.719 nan 8.190 nan 0.000 0.452 90 H N -0.056 118.893 119.070 -0.201 0.000 2.321 90 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 90 H C 2.629 177.824 175.328 -0.222 0.000 1.087 90 H CA 1.763 57.623 56.048 -0.313 0.000 1.319 90 H CB -0.027 29.542 29.762 -0.322 0.000 1.379 90 H HN 0.296 nan 8.280 nan 0.000 0.501 91 R N 0.234 120.711 120.500 -0.038 0.000 2.075 91 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 91 R C 2.476 178.748 176.300 -0.045 0.000 1.126 91 R CA 1.390 57.459 56.100 -0.051 0.000 0.963 91 R CB -0.302 29.968 30.300 -0.050 0.000 0.858 91 R HN 0.363 nan 8.270 nan 0.000 0.435 92 M N 0.540 120.087 119.600 -0.088 0.000 2.106 92 M HA -0.247 4.232 4.480 -0.000 0.000 0.259 92 M C 1.930 178.264 176.300 0.055 0.000 1.068 92 M CA 1.802 57.066 55.300 -0.060 0.000 1.100 92 M CB -0.172 32.204 32.600 -0.374 0.000 1.351 92 M HN 0.257 nan 8.290 nan 0.000 0.404 93 C N -0.120 119.153 119.300 -0.044 0.000 2.435 93 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 93 C C 2.732 177.822 174.990 0.167 0.000 1.321 93 C CA 0.425 59.528 59.018 0.141 0.000 1.752 93 C CB -1.304 26.517 27.740 0.134 0.000 1.959 93 C HN 0.546 nan 8.230 nan 0.000 0.500 94 R N 0.416 120.947 120.500 0.053 0.000 2.090 94 R HA 0.027 4.367 4.340 -0.000 0.000 0.228 94 R C 2.145 178.432 176.300 -0.021 0.000 1.110 94 R CA 1.066 57.171 56.100 0.009 0.000 0.973 94 R CB -0.624 29.652 30.300 -0.040 0.000 0.869 94 R HN 0.584 nan 8.270 nan 0.000 0.440 95 M N -0.727 118.842 119.600 -0.053 0.000 2.254 95 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 95 M C -0.155 175.865 176.300 -0.466 0.000 1.066 95 M CA 1.578 56.712 55.300 -0.276 0.000 1.123 95 M CB 0.333 32.719 32.600 -0.356 0.000 1.388 95 M HN -0.057 nan 8.290 nan 0.000 0.425 96 Y N -0.355 120.018 120.300 0.123 0.000 2.638 96 Y HA 0.323 4.873 4.550 -0.000 0.000 0.367 96 Y C -1.839 174.129 175.900 0.113 0.000 1.001 96 Y CA -2.135 56.034 58.100 0.115 0.000 1.133 96 Y CB -0.126 38.439 38.460 0.176 0.000 1.199 96 Y HN 0.170 nan 8.280 nan 0.000 0.642 97 P HA -0.201 nan 4.420 nan 0.000 0.222 97 P C 1.077 178.424 177.300 0.078 0.000 1.147 97 P CA 1.463 64.631 63.100 0.113 0.000 0.790 97 P CB 0.528 32.260 31.700 0.053 0.000 0.780 98 E N 0.065 120.293 120.200 0.046 0.000 2.152 98 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 98 E C 1.241 177.820 176.600 -0.036 0.000 0.983 98 E CA 1.427 57.832 56.400 0.008 0.000 0.818 98 E CB -1.355 28.345 29.700 -0.000 0.000 0.758 98 E HN 0.152 nan 8.360 nan 0.000 0.467 99 T N 0.160 114.651 114.554 -0.105 0.000 2.980 99 T HA 0.160 4.510 4.350 -0.000 0.000 0.239 99 T C 0.183 174.743 174.700 -0.234 0.000 1.011 99 T CA 0.158 62.076 62.100 -0.305 0.000 1.171 99 T CB -0.194 68.246 68.868 -0.713 0.000 0.873 99 T HN 0.009 nan 8.240 nan 0.000 0.431 100 F N 1.561 121.597 119.950 0.143 0.000 2.399 100 F HA 0.584 5.111 4.527 -0.000 0.000 0.342 100 F C -0.085 175.806 175.800 0.152 0.000 1.106 100 F CA -1.694 56.406 58.000 0.167 0.000 1.196 100 F CB 0.547 39.651 39.000 0.172 0.000 1.163 100 F HN -0.037 nan 8.300 nan 0.000 0.547 101 L N 4.930 126.375 121.223 0.370 0.000 2.485 101 L HA 0.353 4.693 4.340 -0.000 0.000 0.260 101 L C -1.373 175.647 176.870 0.250 0.000 0.998 101 L CA -0.755 54.236 54.840 0.252 0.000 0.883 101 L CB 0.315 42.473 42.059 0.165 0.000 1.196 101 L HN 0.503 nan 8.230 nan 0.000 0.443 102 Y N 5.400 125.781 120.300 0.136 0.000 2.677 102 Y HA 0.431 4.981 4.550 -0.000 0.000 0.335 102 Y C -0.129 175.808 175.900 0.062 0.000 1.162 102 Y CA 0.598 58.760 58.100 0.104 0.000 1.483 102 Y CB 0.463 38.985 38.460 0.105 0.000 1.209 102 Y HN 0.479 nan 8.280 nan 0.000 0.528 103 V N 2.831 122.524 119.914 -0.368 0.000 3.074 103 V HA 0.725 4.845 4.120 -0.000 0.000 0.314 103 V C -0.015 175.806 176.094 -0.454 0.000 1.117 103 V CA -0.098 62.014 62.300 -0.315 0.000 1.014 103 V CB 1.909 33.634 31.823 -0.164 0.000 1.057 103 V HN 0.796 nan 8.190 nan 0.000 0.438 104 T N -2.019 112.374 114.554 -0.268 0.000 3.262 104 T HA 0.459 4.809 4.350 -0.000 0.000 0.300 104 T C 0.330 174.999 174.700 -0.051 0.000 0.959 104 T CA 0.457 62.455 62.100 -0.171 0.000 0.936 104 T CB -0.648 68.107 68.868 -0.188 0.000 1.169 104 T HN 1.698 nan 8.240 nan 0.000 0.532 105 S N 0.245 115.862 115.700 -0.138 0.000 2.651 105 S HA 0.618 5.088 4.470 -0.000 0.000 0.279 105 S C 1.136 175.476 174.600 -0.434 0.000 1.148 105 S CA 0.062 58.050 58.200 -0.353 0.000 0.837 105 S CB 1.490 64.539 63.200 -0.250 0.000 1.138 105 S HN 0.295 nan 8.310 nan 0.000 0.478 106 S N 0.811 116.093 115.700 -0.698 0.000 2.383 106 S HA -0.014 4.456 4.470 -0.000 0.000 0.227 106 S C 2.022 176.486 174.600 -0.227 0.000 1.026 106 S CA 0.894 58.848 58.200 -0.410 0.000 0.981 106 S CB -1.233 61.738 63.200 -0.382 0.000 0.818 106 S HN 1.329 nan 8.310 nan 0.000 0.472 107 A N 1.689 124.386 122.820 -0.205 0.000 2.015 107 A HA 0.277 4.597 4.320 -0.000 0.000 0.219 107 A C 2.299 179.807 177.584 -0.126 0.000 1.163 107 A CA 1.338 53.295 52.037 -0.133 0.000 0.646 107 A CB -1.563 17.376 19.000 -0.102 0.000 0.806 107 A HN 0.648 nan 8.150 nan 0.000 0.448 108 G N 0.120 108.834 108.800 -0.144 0.000 2.402 108 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 108 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 108 G C 1.494 176.307 174.900 -0.144 0.000 1.162 108 G CA 1.041 46.071 45.100 -0.118 0.000 0.777 108 G HN 0.476 nan 8.290 nan 0.000 0.539 109 I N 0.209 120.654 120.570 -0.208 0.000 2.226 109 I HA -0.144 4.025 4.170 -0.000 0.000 0.245 109 I C 2.994 178.773 176.117 -0.565 0.000 1.100 109 I CA 0.912 61.998 61.300 -0.356 0.000 1.374 109 I CB -0.210 37.576 38.000 -0.356 0.000 1.057 109 I HN 0.102 nan 8.210 nan 0.000 0.413 110 R N 0.199 120.466 120.500 -0.389 0.000 2.120 110 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 110 R C 2.250 178.519 176.300 -0.052 0.000 1.123 110 R CA 1.138 57.086 56.100 -0.253 0.000 0.975 110 R CB -0.270 29.965 30.300 -0.108 0.000 0.866 110 R HN 0.297 nan 8.270 nan 0.000 0.446 111 Q N 0.787 120.554 119.800 -0.054 0.000 2.096 111 Q HA 0.010 4.350 4.340 -0.000 0.000 0.197 111 Q C 1.990 178.029 176.000 0.065 0.000 0.964 111 Q CA 1.754 57.567 55.803 0.016 0.000 0.838 111 Q CB -0.220 28.517 28.738 -0.002 0.000 0.906 111 Q HN 0.278 nan 8.270 nan 0.000 0.444 112 A N -0.188 122.658 122.820 0.044 0.000 1.986 112 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 112 A C 2.057 179.800 177.584 0.265 0.000 1.171 112 A CA 1.431 53.541 52.037 0.122 0.000 0.640 112 A CB -1.056 18.002 19.000 0.097 0.000 0.811 112 A HN 0.553 nan 8.150 nan 0.000 0.451 113 F N -0.645 119.325 119.950 0.033 0.000 2.075 113 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 113 F C 2.815 178.633 175.800 0.030 0.000 1.113 113 F CA 1.214 59.235 58.000 0.035 0.000 1.218 113 F CB -0.191 38.834 39.000 0.041 0.000 0.984 113 F HN 0.162 nan 8.300 nan 0.000 0.472 114 R N 0.470 121.113 120.500 0.238 0.000 2.105 114 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 114 R C 1.585 177.939 176.300 0.091 0.000 1.135 114 R CA 1.623 57.801 56.100 0.131 0.000 0.967 114 R CB -0.427 29.933 30.300 0.099 0.000 0.861 114 R HN 0.419 nan 8.270 nan 0.000 0.442 115 E N -0.542 119.715 120.200 0.094 0.000 2.502 115 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 115 E C 0.655 177.289 176.600 0.056 0.000 1.062 115 E CA 0.327 56.766 56.400 0.066 0.000 0.867 115 E CB 0.464 30.203 29.700 0.064 0.000 0.888 115 E HN 0.520 nan 8.360 nan 0.000 0.510 116 G N 2.058 110.898 108.800 0.065 0.000 2.176 116 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.252 116 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.252 116 G C -0.063 174.856 174.900 0.032 0.000 1.024 116 G CA 0.432 45.550 45.100 0.030 0.000 0.755 116 G HN 0.163 nan 8.290 nan 0.000 0.507 117 K N -0.968 119.481 120.400 0.081 0.000 2.238 117 K HA 0.655 4.975 4.320 -0.000 0.000 0.239 117 K C 0.109 176.792 176.600 0.139 0.000 0.987 117 K CA -1.014 55.323 56.287 0.083 0.000 0.857 117 K CB 2.412 34.970 32.500 0.097 0.000 1.154 117 K HN -0.012 nan 8.250 nan 0.000 0.439 118 V N 2.556 122.554 119.914 0.139 0.000 2.356 118 V HA 0.150 4.269 4.120 -0.000 0.000 0.258 118 V C 0.058 176.323 176.094 0.285 0.000 1.065 118 V CA -0.692 61.738 62.300 0.218 0.000 0.935 118 V CB 0.430 32.407 31.823 0.256 0.000 1.061 118 V HN 0.851 nan 8.190 nan 0.000 0.484 119 A N 4.764 127.705 122.820 0.202 0.000 2.548 119 A HA 0.373 4.693 4.320 -0.000 0.000 0.247 119 A C 0.652 178.297 177.584 0.102 0.000 1.067 119 A CA 0.269 52.370 52.037 0.107 0.000 0.757 119 A CB -0.018 18.968 19.000 -0.023 0.000 0.996 119 A HN 0.736 nan 8.150 nan 0.000 0.504 120 S N 2.356 118.147 115.700 0.153 0.000 2.474 120 S HA 0.613 5.083 4.470 -0.000 0.000 0.321 120 S C -0.484 174.107 174.600 -0.015 0.000 1.080 120 S CA -0.363 57.974 58.200 0.229 0.000 1.106 120 S CB 0.598 64.105 63.200 0.512 0.000 0.984 120 S HN 0.543 nan 8.310 nan 0.000 0.464 121 L N 2.677 123.779 121.223 -0.201 0.000 2.279 121 L HA 0.681 5.021 4.340 -0.000 0.000 0.262 121 L C -0.504 176.278 176.870 -0.146 0.000 1.019 121 L CA -0.662 53.961 54.840 -0.361 0.000 0.823 121 L CB 1.013 42.570 42.059 -0.836 0.000 1.358 121 L HN 0.526 nan 8.230 nan 0.000 0.432 122 I N 0.260 120.773 120.570 -0.096 0.000 2.433 122 I HA 0.617 4.787 4.170 -0.000 0.000 0.292 122 I C -0.049 175.999 176.117 -0.116 0.000 1.001 122 I CA -0.384 60.906 61.300 -0.016 0.000 1.119 122 I CB 1.859 39.879 38.000 0.034 0.000 1.289 122 I HN 0.629 nan 8.210 nan 0.000 0.438 123 G N 5.497 114.111 108.800 -0.310 0.000 2.626 123 G HA2 0.558 4.518 3.960 -0.000 0.000 0.304 123 G HA3 0.558 4.518 3.960 -0.000 0.000 0.304 123 G C -1.013 173.660 174.900 -0.379 0.000 1.385 123 G CA -0.342 44.144 45.100 -1.024 0.000 0.957 123 G HN 0.314 nan 8.290 nan 0.000 0.504 124 V N 2.271 122.112 119.914 -0.121 0.000 2.385 124 V HA 0.264 4.384 4.120 -0.000 0.000 0.269 124 V C 0.402 176.628 176.094 0.220 0.000 1.043 124 V CA -0.505 61.838 62.300 0.073 0.000 0.906 124 V CB 1.356 33.229 31.823 0.083 0.000 0.995 124 V HN 0.825 nan 8.190 nan 0.000 0.467 125 E N 4.325 124.687 120.200 0.271 0.000 2.014 125 E HA 0.543 4.893 4.350 -0.000 0.000 0.275 125 E C 0.131 176.908 176.600 0.295 0.000 0.997 125 E CA 0.109 56.733 56.400 0.372 0.000 0.804 125 E CB 0.593 30.585 29.700 0.486 0.000 1.090 125 E HN 1.014 nan 8.360 nan 0.000 0.401 126 G N 2.389 111.348 108.800 0.266 0.000 3.326 126 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.681 126 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.681 126 G C 0.461 175.442 174.900 0.134 0.000 1.255 126 G CA -0.472 44.794 45.100 0.277 0.000 0.976 126 G HN 0.612 nan 8.290 nan 0.000 0.563 127 G N 1.638 110.583 108.800 0.241 0.000 2.509 127 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.218 127 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.218 127 G C 1.406 176.510 174.900 0.339 0.000 1.124 127 G CA 1.592 46.895 45.100 0.338 0.000 0.776 127 G HN 1.337 nan 8.290 nan 0.000 0.547 128 H N 0.074 119.247 119.070 0.171 0.000 2.543 128 H HA 0.082 4.638 4.556 -0.000 0.000 0.286 128 H C 2.076 177.499 175.328 0.158 0.000 1.037 128 H CA 1.117 57.259 56.048 0.155 0.000 1.250 128 H CB -0.544 29.267 29.762 0.081 0.000 1.373 128 H HN 0.247 nan 8.280 nan 0.000 0.580 129 S N 1.347 116.935 115.700 -0.187 0.000 2.383 129 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 129 S C 2.236 176.872 174.600 0.060 0.000 1.026 129 S CA 1.096 59.238 58.200 -0.097 0.000 0.981 129 S CB -0.265 62.870 63.200 -0.108 0.000 0.818 129 S HN 0.700 nan 8.310 nan 0.000 0.472 130 I N -0.403 120.251 120.570 0.141 0.000 3.428 130 I HA 0.173 4.343 4.170 -0.000 0.000 0.286 130 I C 0.198 176.428 176.117 0.189 0.000 1.287 130 I CA 0.428 61.825 61.300 0.162 0.000 1.396 130 I CB -0.461 37.642 38.000 0.171 0.000 1.062 130 I HN -0.002 nan 8.210 nan 0.000 0.471 131 D N 2.437 122.970 120.400 0.222 0.000 2.697 131 D HA -0.240 4.400 4.640 -0.000 0.000 0.235 131 D C 0.381 176.820 176.300 0.231 0.000 1.167 131 D CA 1.023 55.155 54.000 0.219 0.000 0.656 131 D CB -1.091 39.799 40.800 0.149 0.000 1.025 131 D HN 0.632 nan 8.370 nan 0.000 0.419 132 S N -1.258 114.653 115.700 0.352 0.000 3.631 132 S HA -0.224 4.246 4.470 -0.000 0.000 0.366 132 S C 0.063 174.766 174.600 0.172 0.000 0.993 132 S CA 0.884 59.269 58.200 0.309 0.000 1.167 132 S CB -1.374 61.921 63.200 0.159 0.000 0.909 132 S HN 0.800 nan 8.310 nan 0.000 0.478 133 S N -0.346 115.485 115.700 0.217 0.000 2.672 133 S HA 0.612 5.082 4.470 -0.000 0.000 0.291 133 S C 0.737 175.425 174.600 0.146 0.000 1.145 133 S CA -0.978 57.323 58.200 0.167 0.000 1.013 133 S CB 0.936 64.207 63.200 0.118 0.000 1.017 133 S HN 0.312 nan 8.310 nan 0.000 0.487 134 L N 4.278 125.591 121.223 0.150 0.000 2.201 134 L HA 0.118 4.458 4.340 -0.000 0.000 0.212 134 L C 2.616 179.514 176.870 0.047 0.000 1.105 134 L CA 1.431 56.307 54.840 0.059 0.000 0.775 134 L CB -0.597 41.495 42.059 0.056 0.000 0.913 134 L HN 0.851 nan 8.230 nan 0.000 0.440 135 G N -0.370 108.467 108.800 0.061 0.000 2.404 135 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 135 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 135 G C 1.559 176.498 174.900 0.066 0.000 1.174 135 G CA 0.772 45.905 45.100 0.054 0.000 0.780 135 G HN 0.178 nan 8.290 nan 0.000 0.537 136 V N 0.885 120.845 119.914 0.077 0.000 2.515 136 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 136 V C 2.649 178.797 176.094 0.091 0.000 1.058 136 V CA 1.306 63.657 62.300 0.084 0.000 1.064 136 V CB -0.387 31.491 31.823 0.093 0.000 0.675 136 V HN 0.375 nan 8.190 nan 0.000 0.461 137 L N -0.139 121.132 121.223 0.081 0.000 2.012 137 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 137 L C 2.865 179.801 176.870 0.109 0.000 1.073 137 L CA 1.829 56.715 54.840 0.077 0.000 0.748 137 L CB -0.235 41.833 42.059 0.015 0.000 0.891 137 L HN 0.210 nan 8.230 nan 0.000 0.431 138 R N -0.638 119.915 120.500 0.089 0.000 2.115 138 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 138 R C 2.266 178.674 176.300 0.179 0.000 1.111 138 R CA 1.063 57.239 56.100 0.128 0.000 0.976 138 R CB -0.361 29.982 30.300 0.072 0.000 0.870 138 R HN 0.497 nan 8.270 nan 0.000 0.445 139 A N 1.319 124.216 122.820 0.128 0.000 1.858 139 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 139 A C 2.129 179.788 177.584 0.126 0.000 1.190 139 A CA 1.075 53.179 52.037 0.112 0.000 0.617 139 A CB -0.576 18.475 19.000 0.085 0.000 0.827 139 A HN 0.170 nan 8.150 nan 0.000 0.443 140 L N -1.949 119.354 121.223 0.134 0.000 2.127 140 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 140 L C 2.599 179.566 176.870 0.161 0.000 1.089 140 L CA 1.936 56.857 54.840 0.135 0.000 0.757 140 L CB -0.728 41.407 42.059 0.127 0.000 0.899 140 L HN 0.653 nan 8.230 nan 0.000 0.434 141 Y N 1.026 121.375 120.300 0.082 0.000 2.145 141 Y HA -0.301 4.248 4.550 -0.000 0.000 0.286 141 Y C 2.764 178.722 175.900 0.097 0.000 1.145 141 Y CA 1.717 59.870 58.100 0.088 0.000 1.148 141 Y CB -0.079 38.423 38.460 0.070 0.000 0.981 141 Y HN 0.166 nan 8.280 nan 0.000 0.507 142 Q N -0.053 119.760 119.800 0.022 0.000 2.224 142 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 142 Q C 1.928 177.916 176.000 -0.021 0.000 0.970 142 Q CA 1.332 57.107 55.803 -0.047 0.000 0.865 142 Q CB -0.071 28.701 28.738 0.058 0.000 0.922 142 Q HN 0.538 nan 8.270 nan 0.000 0.445 143 L N -1.035 120.219 121.223 0.051 0.000 2.599 143 L HA 0.083 4.423 4.340 -0.000 0.000 0.230 143 L C 1.181 178.215 176.870 0.272 0.000 1.141 143 L CA 0.570 55.493 54.840 0.138 0.000 0.877 143 L CB 0.132 42.289 42.059 0.163 0.000 1.009 143 L HN 0.440 nan 8.230 nan 0.000 0.447 144 G N -0.447 108.439 108.800 0.143 0.000 2.284 144 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.201 144 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.201 144 G C 0.428 175.363 174.900 0.059 0.000 0.998 144 G CA -0.110 45.098 45.100 0.180 0.000 0.651 144 G HN 0.187 nan 8.290 nan 0.000 0.489 145 M N 1.850 121.492 119.600 0.071 0.000 2.501 145 M HA 0.280 4.760 4.480 -0.000 0.000 0.363 145 M C 1.107 177.489 176.300 0.137 0.000 1.708 145 M CA 0.423 55.776 55.300 0.088 0.000 1.078 145 M CB 0.321 32.998 32.600 0.129 0.000 2.107 145 M HN 0.088 nan 8.290 nan 0.000 0.466 146 R N 4.439 125.024 120.500 0.141 0.000 2.397 146 R HA 0.183 4.523 4.340 -0.000 0.000 0.241 146 R C -1.167 175.296 176.300 0.271 0.000 0.914 146 R CA 0.312 56.568 56.100 0.260 0.000 1.071 146 R CB 0.067 30.562 30.300 0.326 0.000 1.116 146 R HN 0.788 nan 8.270 nan 0.000 0.524 147 Y N -1.971 118.417 120.300 0.145 0.000 2.521 147 Y HA 0.584 5.134 4.550 -0.000 0.000 0.332 147 Y C -1.967 173.981 175.900 0.080 0.000 1.121 147 Y CA -2.488 55.633 58.100 0.035 0.000 1.037 147 Y CB 0.581 38.948 38.460 -0.154 0.000 1.330 147 Y HN -0.185 nan 8.280 nan 0.000 0.452 148 L N 3.484 124.940 121.223 0.388 0.000 2.333 148 L HA 0.708 5.048 4.340 -0.000 0.000 0.280 148 L C -0.618 176.428 176.870 0.293 0.000 1.004 148 L CA -0.154 54.880 54.840 0.324 0.000 0.820 148 L CB 2.079 44.277 42.059 0.232 0.000 1.247 148 L HN 0.852 nan 8.230 nan 0.000 0.416 149 T N 6.530 121.280 114.554 0.327 0.000 2.738 149 T HA 0.234 4.584 4.350 -0.000 0.000 0.294 149 T C 1.884 176.699 174.700 0.193 0.000 0.914 149 T CA -0.252 61.980 62.100 0.221 0.000 1.052 149 T CB 0.193 69.246 68.868 0.308 0.000 0.897 149 T HN 0.576 nan 8.240 nan 0.000 0.522 150 L N 2.476 123.779 121.223 0.134 0.000 2.054 150 L HA -0.156 4.184 4.340 -0.000 0.000 0.220 150 L C 1.704 178.574 176.870 0.001 0.000 1.081 150 L CA 1.538 56.453 54.840 0.126 0.000 0.780 150 L CB -0.931 41.165 42.059 0.061 0.000 0.893 150 L HN 0.706 nan 8.230 nan 0.000 0.438 151 T N -6.176 108.398 114.554 0.034 0.000 2.864 151 T HA 0.339 4.689 4.350 -0.000 0.000 0.299 151 T C -0.265 174.525 174.700 0.151 0.000 1.166 151 T CA -0.870 61.261 62.100 0.053 0.000 1.007 151 T CB 2.811 71.654 68.868 -0.041 0.000 1.219 151 T HN 0.140 nan 8.240 nan 0.000 0.506 152 H N 0.360 119.460 119.070 0.050 0.000 3.542 152 H HA 0.473 5.029 4.556 -0.000 0.000 0.159 152 H C 0.173 175.488 175.328 -0.021 0.000 1.583 152 H CA -0.531 55.417 56.048 -0.167 0.000 1.628 152 H CB 1.045 30.794 29.762 -0.020 0.000 0.792 152 H HN 0.587 nan 8.280 nan 0.000 0.810 153 S N 0.721 116.274 115.700 -0.244 0.000 2.704 153 S HA 0.252 4.722 4.470 -0.000 0.000 0.241 153 S C -0.608 173.988 174.600 -0.007 0.000 1.264 153 S CA -0.245 58.010 58.200 0.091 0.000 1.236 153 S CB -1.294 62.062 63.200 0.259 0.000 0.928 153 S HN 0.510 nan 8.310 nan 0.000 0.492 154 c N -0.180 118.398 118.600 -0.037 0.000 3.241 154 c HA 0.537 5.107 4.570 -0.000 0.000 0.348 154 c C -0.868 173.162 174.090 -0.099 0.000 1.180 154 c CA -1.562 54.711 56.329 -0.092 0.000 1.273 154 c CB 0.452 42.891 42.510 -0.118 0.000 1.620 154 c HN 0.278 nan 8.230 nan 0.000 0.510 155 N N 1.699 120.331 118.700 -0.114 0.000 2.525 155 N HA 0.599 5.339 4.740 -0.000 0.000 0.271 155 N C 0.487 175.910 175.510 -0.146 0.000 1.194 155 N CA 0.212 53.181 53.050 -0.134 0.000 0.964 155 N CB 1.543 39.962 38.487 -0.113 0.000 1.126 155 N HN 1.015 nan 8.380 nan 0.000 0.452 156 T N -2.343 112.061 114.554 -0.251 0.000 2.910 156 T HA 0.444 4.794 4.350 -0.000 0.000 0.279 156 T C -1.992 172.593 174.700 -0.192 0.000 0.989 156 T CA -1.680 60.267 62.100 -0.255 0.000 0.968 156 T CB 1.463 69.959 68.868 -0.619 0.000 1.135 156 T HN 0.122 nan 8.240 nan 0.000 0.562 157 P HA 0.123 nan 4.420 nan 0.000 0.242 157 P C 0.570 178.011 177.300 0.235 0.000 1.197 157 P CA 0.349 63.525 63.100 0.125 0.000 0.765 157 P CB -0.012 31.813 31.700 0.207 0.000 0.936 158 W N -2.451 118.949 121.300 0.166 0.000 2.534 158 W HA 0.754 5.414 4.660 -0.000 0.000 0.339 158 W C -0.611 175.969 176.519 0.102 0.000 0.961 158 W CA -0.488 56.965 57.345 0.181 0.000 1.545 158 W CB -0.091 29.565 29.460 0.328 0.000 1.104 158 W HN -0.201 nan 8.180 nan 0.000 0.538 159 A N 1.201 123.833 122.820 -0.314 0.000 2.594 159 A HA 0.541 4.861 4.320 -0.000 0.000 0.295 159 A C -1.768 175.684 177.584 -0.220 0.000 1.071 159 A CA -0.391 51.486 52.037 -0.267 0.000 0.685 159 A CB 1.521 20.225 19.000 -0.494 0.000 1.285 159 A HN -0.060 nan 8.150 nan 0.000 0.405 160 D N 1.005 121.334 120.400 -0.117 0.000 2.163 160 D HA 0.468 5.108 4.640 -0.000 0.000 0.248 160 D C -0.037 176.226 176.300 -0.063 0.000 1.035 160 D CA 0.081 54.029 54.000 -0.088 0.000 0.872 160 D CB 1.484 42.252 40.800 -0.053 0.000 1.183 160 D HN 0.733 nan 8.370 nan 0.000 0.445 161 N N 0.328 118.991 118.700 -0.062 0.000 2.482 161 N HA 0.141 4.881 4.740 -0.000 0.000 0.279 161 N C 1.406 176.914 175.510 -0.004 0.000 1.182 161 N CA -0.941 52.111 53.050 0.004 0.000 0.969 161 N CB 0.866 39.342 38.487 -0.019 0.000 1.201 161 N HN 0.510 nan 8.380 nan 0.000 0.523 162 W N 1.392 122.665 121.300 -0.046 0.000 2.341 162 W HA -0.150 4.510 4.660 -0.000 0.000 0.283 162 W C 0.274 176.767 176.519 -0.043 0.000 1.215 162 W CA 0.461 57.773 57.345 -0.055 0.000 1.211 162 W CB -1.117 28.290 29.460 -0.087 0.000 1.131 162 W HN 0.457 nan 8.180 nan 0.000 0.552 163 L N 1.012 121.685 121.223 -0.916 0.000 2.549 163 L HA -0.144 4.196 4.340 -0.000 0.000 0.229 163 L C 2.445 179.092 176.870 -0.372 0.000 1.158 163 L CA 0.309 54.645 54.840 -0.840 0.000 0.842 163 L CB -0.522 41.050 42.059 -0.812 0.000 0.952 163 L HN -0.172 nan 8.230 nan 0.000 0.452 164 V N -0.569 119.204 119.914 -0.235 0.000 2.548 164 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 164 V C 1.759 177.797 176.094 -0.093 0.000 1.055 164 V CA 1.536 63.756 62.300 -0.134 0.000 1.065 164 V CB -0.317 31.452 31.823 -0.089 0.000 0.681 164 V HN 0.429 nan 8.190 nan 0.000 0.462 165 D N 0.171 120.530 120.400 -0.069 0.000 2.347 165 D HA -0.067 4.573 4.640 -0.000 0.000 0.215 165 D C 2.095 178.387 176.300 -0.014 0.000 0.976 165 D CA 1.542 55.529 54.000 -0.022 0.000 0.884 165 D CB 0.101 40.916 40.800 0.025 0.000 0.915 165 D HN 0.645 nan 8.370 nan 0.000 0.526 166 T N -4.194 110.323 114.554 -0.062 0.000 3.023 166 T HA 0.374 4.724 4.350 -0.000 0.000 0.253 166 T C 1.615 176.278 174.700 -0.062 0.000 1.038 166 T CA 0.625 62.699 62.100 -0.044 0.000 0.962 166 T CB 0.886 69.709 68.868 -0.075 0.000 1.018 166 T HN 0.129 nan 8.240 nan 0.000 0.521 167 G N 1.331 110.080 108.800 -0.084 0.000 2.175 167 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 167 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 167 G C 0.596 175.441 174.900 -0.091 0.000 0.982 167 G CA 0.313 45.370 45.100 -0.072 0.000 0.641 167 G HN 0.511 nan 8.290 nan 0.000 0.527 168 D N 0.279 120.597 120.400 -0.135 0.000 2.234 168 D HA 0.133 4.773 4.640 -0.000 0.000 0.205 168 D C 1.069 177.285 176.300 -0.140 0.000 0.962 168 D CA 1.296 55.211 54.000 -0.142 0.000 0.855 168 D CB 0.287 40.972 40.800 -0.192 0.000 0.951 168 D HN 0.387 nan 8.370 nan 0.000 0.500 169 S N 0.333 115.939 115.700 -0.157 0.000 2.566 169 S HA 0.264 4.734 4.470 -0.000 0.000 0.298 169 S C -0.461 174.079 174.600 -0.099 0.000 1.083 169 S CA -0.832 57.288 58.200 -0.133 0.000 0.978 169 S CB 2.628 65.728 63.200 -0.168 0.000 1.073 169 S HN -0.062 nan 8.310 nan 0.000 0.491 170 E N 3.199 123.352 120.200 -0.078 0.000 2.227 170 E HA 0.272 4.622 4.350 -0.000 0.000 0.282 170 E C -2.483 174.084 176.600 -0.056 0.000 1.015 170 E CA -2.615 53.750 56.400 -0.058 0.000 0.823 170 E CB 0.463 30.136 29.700 -0.045 0.000 1.081 170 E HN 0.294 nan 8.360 nan 0.000 0.396 171 P HA 0.060 nan 4.420 nan 0.000 0.269 171 P C 0.009 177.292 177.300 -0.028 0.000 1.263 171 P CA 0.288 63.364 63.100 -0.039 0.000 0.813 171 P CB 0.800 32.481 31.700 -0.031 0.000 0.868 172 Q N 1.807 121.589 119.800 -0.029 0.000 2.036 172 Q HA -0.021 4.318 4.340 -0.000 0.000 0.195 172 Q C 1.726 177.728 176.000 0.003 0.000 0.971 172 Q CA 1.465 57.259 55.803 -0.015 0.000 0.826 172 Q CB -0.106 28.620 28.738 -0.019 0.000 0.896 172 Q HN 0.458 nan 8.270 nan 0.000 0.449 173 S N 0.267 115.971 115.700 0.006 0.000 2.503 173 S HA -0.001 4.469 4.470 -0.000 0.000 0.217 173 S C -0.130 174.484 174.600 0.023 0.000 0.999 173 S CA -0.046 58.173 58.200 0.032 0.000 0.914 173 S CB 0.276 63.510 63.200 0.056 0.000 0.782 173 S HN 0.284 nan 8.310 nan 0.000 0.520 174 Q N 0.431 120.234 119.800 0.005 0.000 2.443 174 Q HA -0.196 4.144 4.340 -0.000 0.000 0.337 174 Q C 0.588 176.594 176.000 0.010 0.000 1.401 174 Q CA 0.266 56.070 55.803 0.002 0.000 0.943 174 Q CB -1.842 26.898 28.738 0.002 0.000 1.177 174 Q HN 0.690 nan 8.270 nan 0.000 0.394 175 G N -1.197 107.609 108.800 0.010 0.000 2.541 175 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.208 175 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.208 175 G C -1.024 173.901 174.900 0.041 0.000 1.191 175 G CA -0.505 44.607 45.100 0.020 0.000 1.217 175 G HN 0.208 nan 8.290 nan 0.000 0.566 176 L N 1.941 123.204 121.223 0.066 0.000 2.313 176 L HA 0.611 4.951 4.340 -0.000 0.000 0.283 176 L C 1.165 178.111 176.870 0.126 0.000 1.013 176 L CA -0.337 54.575 54.840 0.120 0.000 0.816 176 L CB 1.917 44.045 42.059 0.116 0.000 1.236 176 L HN 0.907 nan 8.230 nan 0.000 0.419 177 S N 2.289 118.101 115.700 0.187 0.000 2.624 177 S HA 0.323 4.792 4.470 -0.000 0.000 0.263 177 S C -1.951 172.748 174.600 0.164 0.000 1.287 177 S CA -1.005 57.302 58.200 0.179 0.000 0.990 177 S CB 0.912 64.260 63.200 0.248 0.000 0.950 177 S HN 0.399 nan 8.310 nan 0.000 0.561 178 P HA -0.075 nan 4.420 nan 0.000 0.216 178 P C 1.197 178.573 177.300 0.126 0.000 1.150 178 P CA 1.046 64.213 63.100 0.112 0.000 0.837 178 P CB -0.098 31.665 31.700 0.104 0.000 0.786 179 F N 0.309 120.289 119.950 0.051 0.000 2.146 179 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 179 F C 2.224 177.998 175.800 -0.044 0.000 1.096 179 F CA 1.722 59.721 58.000 -0.002 0.000 1.275 179 F CB -0.838 38.170 39.000 0.013 0.000 1.008 179 F HN -0.138 nan 8.300 nan 0.000 0.480 180 G N -0.320 108.499 108.800 0.032 0.000 2.450 180 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 180 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 180 G C 1.423 176.273 174.900 -0.082 0.000 1.130 180 G CA 0.906 46.055 45.100 0.082 0.000 0.760 180 G HN 0.464 nan 8.290 nan 0.000 0.557 181 Q N -0.361 119.409 119.800 -0.050 0.000 2.119 181 Q HA 0.032 4.372 4.340 -0.000 0.000 0.201 181 Q C 2.798 178.712 176.000 -0.143 0.000 0.972 181 Q CA 0.747 56.516 55.803 -0.058 0.000 0.847 181 Q CB -0.077 28.654 28.738 -0.012 0.000 0.903 181 Q HN 0.396 nan 8.270 nan 0.000 0.433 182 R N -0.187 120.175 120.500 -0.230 0.000 2.090 182 R HA -0.061 4.279 4.340 -0.000 0.000 0.228 182 R C 2.287 178.359 176.300 -0.380 0.000 1.110 182 R CA 0.974 56.918 56.100 -0.259 0.000 0.973 182 R CB -0.244 29.922 30.300 -0.224 0.000 0.869 182 R HN 0.107 nan 8.270 nan 0.000 0.440 183 V N 0.732 120.264 119.914 -0.638 0.000 2.287 183 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 183 V C 2.392 178.288 176.094 -0.329 0.000 1.053 183 V CA 1.716 63.619 62.300 -0.661 0.000 1.027 183 V CB -0.375 30.772 31.823 -1.128 0.000 0.646 183 V HN 0.109 nan 8.190 nan 0.000 0.447 184 V N -0.192 119.591 119.914 -0.219 0.000 2.343 184 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 184 V C 2.433 178.469 176.094 -0.097 0.000 1.051 184 V CA 2.426 64.667 62.300 -0.098 0.000 1.036 184 V CB -0.676 31.121 31.823 -0.043 0.000 0.654 184 V HN 0.561 nan 8.190 nan 0.000 0.451 185 K N -0.038 120.293 120.400 -0.115 0.000 2.057 185 K HA -0.271 4.049 4.320 -0.000 0.000 0.207 185 K C 2.194 178.733 176.600 -0.102 0.000 1.049 185 K CA 1.988 58.220 56.287 -0.092 0.000 0.931 185 K CB -0.080 32.366 32.500 -0.090 0.000 0.714 185 K HN 0.422 nan 8.250 nan 0.000 0.440 186 E N 0.932 121.048 120.200 -0.139 0.000 2.072 186 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 186 E C 1.910 178.432 176.600 -0.130 0.000 0.985 186 E CA 1.150 57.468 56.400 -0.137 0.000 0.801 186 E CB -0.198 29.403 29.700 -0.165 0.000 0.750 186 E HN 0.338 nan 8.360 nan 0.000 0.452 187 L N 0.304 121.459 121.223 -0.114 0.000 2.083 187 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 187 L C 2.163 179.000 176.870 -0.055 0.000 1.083 187 L CA 1.506 56.303 54.840 -0.072 0.000 0.752 187 L CB -0.465 41.574 42.059 -0.033 0.000 0.899 187 L HN 0.237 nan 8.230 nan 0.000 0.433 188 N N -0.079 118.589 118.700 -0.054 0.000 2.106 188 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 188 N C 1.890 177.373 175.510 -0.045 0.000 1.029 188 N CA 1.125 54.155 53.050 -0.033 0.000 0.848 188 N CB -0.029 38.440 38.487 -0.031 0.000 1.007 188 N HN 0.383 nan 8.380 nan 0.000 0.423 189 R N 1.068 121.525 120.500 -0.071 0.000 2.115 189 R HA -0.022 4.318 4.340 -0.000 0.000 0.230 189 R C 1.858 178.085 176.300 -0.123 0.000 1.111 189 R CA 0.949 57.001 56.100 -0.079 0.000 0.976 189 R CB -0.583 29.670 30.300 -0.078 0.000 0.870 189 R HN 0.192 nan 8.270 nan 0.000 0.445 190 L N 0.242 121.344 121.223 -0.201 0.000 2.109 190 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 190 L C 1.058 177.771 176.870 -0.262 0.000 1.086 190 L CA 1.194 55.784 54.840 -0.417 0.000 0.760 190 L CB -0.296 41.357 42.059 -0.676 0.000 0.910 190 L HN 0.743 nan 8.230 nan 0.000 0.437 191 G N 0.071 108.834 108.800 -0.062 0.000 2.226 191 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.176 191 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.176 191 G C -0.304 174.742 174.900 0.242 0.000 1.042 191 G CA -0.282 44.883 45.100 0.108 0.000 0.732 191 G HN 0.046 nan 8.290 nan 0.000 0.494 192 V N 1.520 121.533 119.914 0.165 0.000 2.394 192 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 192 V C 1.148 177.329 176.094 0.145 0.000 1.031 192 V CA -0.816 61.617 62.300 0.221 0.000 0.881 192 V CB 1.623 33.561 31.823 0.192 0.000 0.982 192 V HN 0.371 nan 8.190 nan 0.000 0.451 193 L N 5.793 127.093 121.223 0.128 0.000 2.513 193 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 193 L C 0.023 176.900 176.870 0.011 0.000 1.187 193 L CA 0.401 55.251 54.840 0.017 0.000 0.895 193 L CB 0.216 42.203 42.059 -0.120 0.000 1.147 193 L HN 0.472 nan 8.230 nan 0.000 0.483 194 I N 3.015 123.559 120.570 -0.043 0.000 2.352 194 I HA 0.084 4.254 4.170 -0.000 0.000 0.290 194 I C -0.056 175.953 176.117 -0.181 0.000 1.036 194 I CA -0.161 61.103 61.300 -0.059 0.000 1.336 194 I CB 1.037 39.003 38.000 -0.056 0.000 1.407 194 I HN 0.526 nan 8.210 nan 0.000 0.497 195 D N 7.011 127.299 120.400 -0.187 0.000 2.329 195 D HA 0.272 4.912 4.640 -0.000 0.000 0.232 195 D C 0.361 176.472 176.300 -0.315 0.000 1.088 195 D CA -0.253 53.541 54.000 -0.343 0.000 0.835 195 D CB 1.301 41.832 40.800 -0.448 0.000 1.078 195 D HN 0.416 nan 8.370 nan 0.000 0.495 196 L N 2.410 123.295 121.223 -0.564 0.000 2.611 196 L HA 0.334 4.674 4.340 -0.000 0.000 0.229 196 L C 1.047 177.680 176.870 -0.395 0.000 1.137 196 L CA -0.379 54.088 54.840 -0.621 0.000 0.901 196 L CB -0.251 41.104 42.059 -1.174 0.000 1.098 196 L HN 0.382 nan 8.230 nan 0.000 0.456 197 A N -0.805 121.846 122.820 -0.282 0.000 2.483 197 A HA 0.097 4.417 4.320 -0.000 0.000 0.238 197 A C 0.873 178.393 177.584 -0.106 0.000 1.070 197 A CA 0.180 52.067 52.037 -0.249 0.000 0.770 197 A CB -0.083 18.667 19.000 -0.416 0.000 1.008 197 A HN 0.602 nan 8.150 nan 0.000 0.497 198 H N -2.142 116.739 119.070 -0.315 0.000 3.898 198 H HA -0.202 4.354 4.556 -0.000 0.000 0.171 198 H C 0.546 175.936 175.328 0.103 0.000 0.920 198 H CA 1.362 57.300 56.048 -0.184 0.000 1.238 198 H CB -2.272 27.412 29.762 -0.131 0.000 0.997 198 H HN 1.132 nan 8.280 nan 0.000 0.380 199 V N 0.302 120.286 119.914 0.117 0.000 2.997 199 V HA 0.635 4.755 4.120 -0.000 0.000 0.311 199 V C 1.094 177.260 176.094 0.120 0.000 1.066 199 V CA -0.036 62.322 62.300 0.098 0.000 1.039 199 V CB 1.945 33.770 31.823 0.003 0.000 1.081 199 V HN 0.384 nan 8.190 nan 0.000 0.467 200 S N 1.496 117.241 115.700 0.075 0.000 2.603 200 S HA 0.280 4.750 4.470 -0.000 0.000 0.268 200 S C 0.987 175.611 174.600 0.040 0.000 1.317 200 S CA 0.003 58.239 58.200 0.059 0.000 1.012 200 S CB 1.235 64.443 63.200 0.013 0.000 0.926 200 S HN 0.942 nan 8.310 nan 0.000 0.539 201 V N 2.042 121.969 119.914 0.021 0.000 2.332 201 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 201 V C 2.986 179.083 176.094 0.006 0.000 1.055 201 V CA 2.421 64.723 62.300 0.003 0.000 1.038 201 V CB -1.867 29.930 31.823 -0.044 0.000 0.651 201 V HN 1.031 nan 8.190 nan 0.000 0.450 202 A N -0.247 122.572 122.820 -0.001 0.000 1.908 202 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 202 A C 2.398 179.986 177.584 0.007 0.000 1.181 202 A CA 2.618 54.655 52.037 0.000 0.000 0.627 202 A CB -1.013 17.985 19.000 -0.004 0.000 0.818 202 A HN 0.516 nan 8.150 nan 0.000 0.445 203 T N 0.053 114.611 114.554 0.007 0.000 2.821 203 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 203 T C 1.926 176.626 174.700 0.001 0.000 1.046 203 T CA 1.647 63.750 62.100 0.005 0.000 1.139 203 T CB -0.312 68.552 68.868 -0.007 0.000 0.871 203 T HN 0.456 nan 8.240 nan 0.000 0.454 204 M N 0.719 120.328 119.600 0.015 0.000 2.086 204 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 204 M C 2.369 178.690 176.300 0.035 0.000 1.067 204 M CA 1.789 57.108 55.300 0.033 0.000 1.116 204 M CB -0.387 32.296 32.600 0.138 0.000 1.348 204 M HN 0.116 nan 8.290 nan 0.000 0.407 205 K N 0.343 120.762 120.400 0.031 0.000 2.057 205 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 205 K C 2.152 178.760 176.600 0.013 0.000 1.050 205 K CA 1.409 57.709 56.287 0.022 0.000 0.935 205 K CB -0.329 32.178 32.500 0.011 0.000 0.715 205 K HN 0.290 nan 8.250 nan 0.000 0.439 206 A N 0.948 123.775 122.820 0.012 0.000 1.908 206 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 206 A C 2.214 179.804 177.584 0.010 0.000 1.181 206 A CA 2.193 54.237 52.037 0.013 0.000 0.627 206 A CB -0.986 18.026 19.000 0.021 0.000 0.818 206 A HN 0.273 nan 8.150 nan 0.000 0.445 207 T N 0.130 114.686 114.554 0.003 0.000 2.812 207 T HA 0.001 4.350 4.350 -0.000 0.000 0.264 207 T C 1.808 176.499 174.700 -0.014 0.000 1.042 207 T CA 1.276 63.370 62.100 -0.010 0.000 1.140 207 T CB -0.323 68.524 68.868 -0.035 0.000 0.870 207 T HN 0.333 nan 8.240 nan 0.000 0.445 208 L N 0.568 121.787 121.223 -0.007 0.000 2.131 208 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 208 L C 2.814 179.687 176.870 0.005 0.000 1.092 208 L CA 1.229 56.072 54.840 0.005 0.000 0.759 208 L CB -0.332 41.747 42.059 0.032 0.000 0.903 208 L HN 0.232 nan 8.230 nan 0.000 0.435 209 Q N -0.648 119.155 119.800 0.005 0.000 2.049 209 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 209 Q C 2.015 178.016 176.000 0.001 0.000 0.971 209 Q CA 1.298 57.103 55.803 0.004 0.000 0.833 209 Q CB -0.059 28.682 28.738 0.005 0.000 0.896 209 Q HN 0.285 nan 8.270 nan 0.000 0.434 210 L N -0.248 120.975 121.223 0.000 0.000 2.023 210 L HA 0.087 4.427 4.340 -0.000 0.000 0.205 210 L C 0.764 177.629 176.870 -0.008 0.000 1.073 210 L CA 1.070 55.908 54.840 -0.003 0.000 0.745 210 L CB -0.732 41.326 42.059 -0.001 0.000 0.900 210 L HN 0.049 nan 8.230 nan 0.000 0.435 211 S N -0.148 115.546 115.700 -0.010 0.000 2.563 211 S HA -0.062 4.408 4.470 -0.000 0.000 0.294 211 S C 1.263 175.858 174.600 -0.007 0.000 1.279 211 S CA -0.031 58.162 58.200 -0.013 0.000 1.069 211 S CB 0.163 63.353 63.200 -0.018 0.000 0.828 211 S HN 0.413 nan 8.310 nan 0.000 0.497 212 R N 2.621 123.117 120.500 -0.007 0.000 2.310 212 R HA 0.265 4.605 4.340 -0.000 0.000 0.202 212 R C 0.479 176.782 176.300 0.004 0.000 0.933 212 R CA 0.482 56.580 56.100 -0.002 0.000 1.054 212 R CB 0.121 30.419 30.300 -0.004 0.000 0.985 212 R HN 0.572 nan 8.270 nan 0.000 0.489 213 A N 1.327 124.151 122.820 0.006 0.000 2.469 213 A HA 0.597 4.917 4.320 -0.000 0.000 0.299 213 A C -2.659 174.931 177.584 0.010 0.000 1.098 213 A CA -2.011 50.035 52.037 0.016 0.000 0.737 213 A CB 1.309 20.326 19.000 0.028 0.000 1.312 213 A HN -0.161 nan 8.150 nan 0.000 0.414 214 P HA 0.298 nan 4.420 nan 0.000 0.268 214 P C 0.008 177.300 177.300 -0.013 0.000 1.208 214 P CA 0.027 63.133 63.100 0.010 0.000 0.777 214 P CB 0.594 32.307 31.700 0.023 0.000 0.875 215 V N 0.699 120.590 119.914 -0.037 0.000 3.284 215 V HA 0.785 4.905 4.120 -0.000 0.000 0.309 215 V C -0.119 175.901 176.094 -0.124 0.000 1.190 215 V CA -0.872 61.365 62.300 -0.105 0.000 1.038 215 V CB 1.459 33.186 31.823 -0.159 0.000 1.198 215 V HN 0.527 nan 8.190 nan 0.000 0.465 216 I N -2.767 117.657 120.570 -0.243 0.000 3.006 216 I HA 0.664 4.834 4.170 -0.000 0.000 0.306 216 I C -1.817 174.082 176.117 -0.363 0.000 1.250 216 I CA -0.742 60.432 61.300 -0.209 0.000 0.996 216 I CB 2.536 40.362 38.000 -0.290 0.000 1.261 216 I HN 0.511 nan 8.210 nan 0.000 0.442 217 F N 2.780 122.602 119.950 -0.213 0.000 2.363 217 F HA 0.301 4.828 4.527 -0.000 0.000 0.366 217 F C 1.588 177.247 175.800 -0.236 0.000 1.083 217 F CA -0.412 57.454 58.000 -0.223 0.000 1.176 217 F CB 1.620 40.508 39.000 -0.187 0.000 1.432 217 F HN 0.692 nan 8.300 nan 0.000 0.482 218 S N 0.600 116.187 115.700 -0.188 0.000 2.402 218 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 218 S C 0.651 175.292 174.600 0.068 0.000 1.030 218 S CA 1.744 59.848 58.200 -0.160 0.000 1.003 218 S CB -0.580 62.391 63.200 -0.380 0.000 0.813 218 S HN 0.657 nan 8.310 nan 0.000 0.477 219 H N -1.064 117.894 119.070 -0.186 0.000 2.643 219 H HA 0.709 5.265 4.556 -0.000 0.000 0.229 219 H C -1.399 173.820 175.328 -0.182 0.000 1.410 219 H CA -0.803 55.135 56.048 -0.182 0.000 1.458 219 H CB -0.447 29.170 29.762 -0.241 0.000 1.792 219 H HN 0.116 nan 8.280 nan 0.000 0.563 220 S N 0.767 116.363 115.700 -0.174 0.000 2.549 220 S HA 0.689 5.159 4.470 -0.000 0.000 0.280 220 S C -0.275 174.237 174.600 -0.146 0.000 1.109 220 S CA -0.555 57.505 58.200 -0.233 0.000 0.905 220 S CB 2.543 65.625 63.200 -0.197 0.000 1.081 220 S HN 0.524 nan 8.310 nan 0.000 0.477 221 S N 0.980 116.592 115.700 -0.148 0.000 2.801 221 S HA 0.817 5.287 4.470 -0.000 0.000 0.312 221 S C -0.234 174.403 174.600 0.062 0.000 1.112 221 S CA -0.762 57.412 58.200 -0.043 0.000 0.943 221 S CB 1.043 64.129 63.200 -0.189 0.000 1.269 221 S HN 0.942 nan 8.310 nan 0.000 0.558 222 A N 0.464 123.498 122.820 0.355 0.000 2.404 222 A HA 0.351 4.671 4.320 -0.000 0.000 0.273 222 A C 0.279 177.928 177.584 0.108 0.000 1.144 222 A CA -0.168 52.005 52.037 0.226 0.000 0.806 222 A CB -0.537 18.578 19.000 0.192 0.000 1.080 222 A HN 0.896 nan 8.150 nan 0.000 0.509 223 Y N 2.771 123.041 120.300 -0.050 0.000 2.293 223 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 223 Y C 2.384 178.207 175.900 -0.129 0.000 1.137 223 Y CA 2.508 60.560 58.100 -0.080 0.000 1.202 223 Y CB 0.111 38.525 38.460 -0.077 0.000 0.990 223 Y HN 0.625 nan 8.280 nan 0.000 0.537 224 S N -0.775 114.857 115.700 -0.114 0.000 2.382 224 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 224 S C 1.927 176.275 174.600 -0.420 0.000 1.027 224 S CA 1.499 59.518 58.200 -0.301 0.000 0.991 224 S CB -0.463 62.404 63.200 -0.554 0.000 0.823 224 S HN 0.332 nan 8.310 nan 0.000 0.469 225 V N -0.624 118.981 119.914 -0.516 0.000 2.788 225 V HA 0.116 4.236 4.120 -0.000 0.000 0.251 225 V C 0.937 176.840 176.094 -0.319 0.000 1.068 225 V CA 0.536 62.519 62.300 -0.529 0.000 1.090 225 V CB 0.004 31.238 31.823 -0.981 0.000 0.710 225 V HN 0.633 nan 8.190 nan 0.000 0.467 226 c N 1.115 119.580 118.600 -0.224 0.000 2.789 226 c HA 0.739 5.309 4.570 -0.000 0.000 0.367 226 c C 0.737 174.633 174.090 -0.325 0.000 1.062 226 c CA -0.733 55.511 56.329 -0.141 0.000 1.297 226 c CB 0.295 42.851 42.510 0.077 0.000 1.794 226 c HN 0.460 nan 8.230 nan 0.000 0.474 227 A N 4.695 127.218 122.820 -0.493 0.000 3.004 227 A HA 0.443 4.763 4.320 -0.000 0.000 0.252 227 A C 0.750 178.079 177.584 -0.426 0.000 1.802 227 A CA 0.676 52.167 52.037 -0.910 0.000 1.424 227 A CB -0.490 18.083 19.000 -0.712 0.000 1.005 227 A HN 1.141 nan 8.150 nan 0.000 0.631 228 S N -0.171 115.381 115.700 -0.248 0.000 2.525 228 S HA 0.407 4.876 4.470 -0.000 0.000 0.290 228 S C 1.030 175.662 174.600 0.053 0.000 1.152 228 S CA -0.787 57.372 58.200 -0.068 0.000 1.072 228 S CB 0.533 63.627 63.200 -0.176 0.000 1.027 228 S HN 0.528 nan 8.310 nan 0.000 0.500 229 R N 2.560 123.165 120.500 0.174 0.000 2.328 229 R HA 0.193 4.533 4.340 -0.000 0.000 0.200 229 R C 0.957 177.240 176.300 -0.028 0.000 0.983 229 R CA 0.185 56.432 56.100 0.246 0.000 1.062 229 R CB -0.363 30.186 30.300 0.415 0.000 0.956 229 R HN 0.486 nan 8.270 nan 0.000 0.479 230 R N 0.083 120.246 120.500 -0.562 0.000 2.334 230 R HA 0.173 4.513 4.340 -0.000 0.000 0.216 230 R C -0.255 175.642 176.300 -0.671 0.000 0.905 230 R CA 0.013 55.477 56.100 -1.059 0.000 1.064 230 R CB 0.263 29.437 30.300 -1.878 0.000 1.046 230 R HN 0.118 nan 8.270 nan 0.000 0.508 231 N N -0.014 118.471 118.700 -0.359 0.000 2.443 231 N HA 0.215 4.955 4.740 -0.000 0.000 0.293 231 N C -0.655 174.809 175.510 -0.076 0.000 1.159 231 N CA -0.510 52.431 53.050 -0.183 0.000 0.904 231 N CB 2.280 40.727 38.487 -0.068 0.000 1.214 231 N HN -0.300 nan 8.380 nan 0.000 0.513 232 V N 2.841 122.671 119.914 -0.140 0.000 2.406 232 V HA 0.309 4.429 4.120 -0.000 0.000 0.272 232 V C -1.784 174.255 176.094 -0.091 0.000 1.043 232 V CA -1.397 60.771 62.300 -0.220 0.000 0.915 232 V CB 0.986 32.475 31.823 -0.557 0.000 0.988 232 V HN 0.572 nan 8.190 nan 0.000 0.466 233 P HA 0.163 nan 4.420 nan 0.000 0.273 233 P C 0.042 177.309 177.300 -0.055 0.000 1.250 233 P CA -0.231 62.796 63.100 -0.123 0.000 0.793 233 P CB 1.188 32.688 31.700 -0.334 0.000 1.011 234 D N 0.327 120.732 120.400 0.008 0.000 2.219 234 D HA -0.145 4.495 4.640 -0.000 0.000 0.205 234 D C 1.345 177.621 176.300 -0.040 0.000 0.970 234 D CA 1.321 55.324 54.000 0.005 0.000 0.851 234 D CB -0.453 40.380 40.800 0.054 0.000 0.943 234 D HN 0.508 nan 8.370 nan 0.000 0.488 235 D N 0.756 121.127 120.400 -0.049 0.000 2.117 235 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 235 D C 2.096 178.369 176.300 -0.046 0.000 0.987 235 D CA 0.599 54.571 54.000 -0.046 0.000 0.829 235 D CB -0.799 39.973 40.800 -0.047 0.000 0.961 235 D HN 0.117 nan 8.370 nan 0.000 0.460 236 V N 0.756 120.635 119.914 -0.058 0.000 2.515 236 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 236 V C 2.710 178.765 176.094 -0.065 0.000 1.058 236 V CA 0.927 63.203 62.300 -0.040 0.000 1.064 236 V CB -0.565 31.234 31.823 -0.040 0.000 0.675 236 V HN 0.215 nan 8.190 nan 0.000 0.461 237 L N -0.525 120.636 121.223 -0.104 0.000 2.201 237 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 237 L C 2.762 179.583 176.870 -0.081 0.000 1.105 237 L CA 1.396 56.164 54.840 -0.119 0.000 0.775 237 L CB -0.476 41.505 42.059 -0.129 0.000 0.913 237 L HN 0.286 nan 8.230 nan 0.000 0.440 238 R N -0.269 120.195 120.500 -0.061 0.000 2.119 238 R HA -0.052 4.288 4.340 -0.000 0.000 0.222 238 R C 2.236 178.519 176.300 -0.029 0.000 1.088 238 R CA 0.834 56.906 56.100 -0.047 0.000 0.984 238 R CB -0.154 30.122 30.300 -0.041 0.000 0.884 238 R HN 0.336 nan 8.270 nan 0.000 0.447 239 L N 0.280 121.493 121.223 -0.017 0.000 2.093 239 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 239 L C 2.276 179.156 176.870 0.017 0.000 1.085 239 L CA 0.817 55.660 54.840 0.005 0.000 0.755 239 L CB -0.288 41.784 42.059 0.021 0.000 0.904 239 L HN 0.000 nan 8.230 nan 0.000 0.435 240 V N 0.053 119.976 119.914 0.016 0.000 2.490 240 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 240 V C 2.513 178.607 176.094 0.001 0.000 1.061 240 V CA 1.702 64.020 62.300 0.031 0.000 1.064 240 V CB -0.484 31.340 31.823 0.001 0.000 0.670 240 V HN 0.433 nan 8.190 nan 0.000 0.461 241 K N -0.160 120.227 120.400 -0.022 0.000 2.031 241 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 241 K C 2.263 178.853 176.600 -0.016 0.000 1.049 241 K CA 1.399 57.669 56.287 -0.029 0.000 0.939 241 K CB -0.085 32.389 32.500 -0.045 0.000 0.717 241 K HN 0.505 nan 8.250 nan 0.000 0.438 242 Q N -0.290 119.503 119.800 -0.012 0.000 2.084 242 Q HA -0.125 4.214 4.340 -0.000 0.000 0.202 242 Q C 1.893 177.893 176.000 -0.000 0.000 0.978 242 Q CA 2.090 57.888 55.803 -0.007 0.000 0.844 242 Q CB -0.090 28.644 28.738 -0.006 0.000 0.898 242 Q HN 0.502 nan 8.270 nan 0.000 0.426 243 T N -2.512 112.046 114.554 0.006 0.000 3.113 243 T HA -0.019 4.331 4.350 -0.000 0.000 0.256 243 T C 0.414 175.122 174.700 0.013 0.000 1.131 243 T CA 0.554 62.660 62.100 0.011 0.000 1.074 243 T CB 0.167 69.045 68.868 0.017 0.000 0.944 243 T HN 0.182 nan 8.240 nan 0.000 0.516 244 D N 0.532 120.939 120.400 0.010 0.000 2.835 244 D HA -0.136 4.504 4.640 -0.000 0.000 0.230 244 D C 0.034 176.346 176.300 0.019 0.000 1.130 244 D CA 0.390 54.397 54.000 0.011 0.000 0.738 244 D CB -1.555 39.252 40.800 0.012 0.000 1.090 244 D HN 0.511 nan 8.370 nan 0.000 0.433 245 S N -0.961 114.756 115.700 0.028 0.000 2.596 245 S HA 0.685 5.155 4.470 -0.000 0.000 0.262 245 S C 0.250 174.875 174.600 0.042 0.000 1.218 245 S CA -0.380 57.846 58.200 0.043 0.000 0.998 245 S CB 1.107 64.357 63.200 0.084 0.000 1.060 245 S HN 0.405 nan 8.310 nan 0.000 0.552 246 L N 0.305 121.568 121.223 0.066 0.000 2.482 246 L HA 0.624 4.964 4.340 -0.000 0.000 0.263 246 L C -1.836 175.092 176.870 0.096 0.000 0.957 246 L CA -0.401 54.465 54.840 0.042 0.000 0.836 246 L CB 1.741 43.803 42.059 0.005 0.000 1.324 246 L HN 0.357 nan 8.230 nan 0.000 0.406 247 V N 5.529 125.457 119.914 0.023 0.000 2.378 247 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 247 V C -0.048 176.026 176.094 -0.034 0.000 1.016 247 V CA -0.346 61.952 62.300 -0.004 0.000 0.840 247 V CB 1.407 33.137 31.823 -0.156 0.000 0.994 247 V HN 0.783 nan 8.190 nan 0.000 0.431 248 M N 4.788 124.377 119.600 -0.019 0.000 2.061 248 M HA 0.410 4.890 4.480 -0.000 0.000 0.346 248 M C -0.447 175.846 176.300 -0.012 0.000 1.112 248 M CA -0.604 54.675 55.300 -0.034 0.000 1.021 248 M CB 1.530 34.113 32.600 -0.028 0.000 1.530 248 M HN 0.368 nan 8.290 nan 0.000 0.437 249 V N 3.446 123.369 119.914 0.015 0.000 2.599 249 V HA -0.032 4.087 4.120 -0.000 0.000 0.300 249 V C 0.635 176.740 176.094 0.018 0.000 1.034 249 V CA -0.062 62.281 62.300 0.072 0.000 1.115 249 V CB -0.028 31.920 31.823 0.209 0.000 0.934 249 V HN 0.768 nan 8.190 nan 0.000 0.485 250 N N 3.367 122.077 118.700 0.016 0.000 2.499 250 N HA 0.228 4.967 4.740 -0.000 0.000 0.281 250 N C 0.153 175.763 175.510 0.166 0.000 1.098 250 N CA -0.379 52.676 53.050 0.008 0.000 0.979 250 N CB 1.051 39.595 38.487 0.096 0.000 1.121 250 N HN 0.443 nan 8.380 nan 0.000 0.466 251 F N 1.938 121.809 119.950 -0.132 0.000 2.743 251 F HA 0.118 4.645 4.527 -0.000 0.000 0.297 251 F C 0.914 176.642 175.800 -0.121 0.000 1.131 251 F CA -0.789 57.092 58.000 -0.199 0.000 1.426 251 F CB -1.380 37.372 39.000 -0.415 0.000 1.116 251 F HN 0.509 nan 8.300 nan 0.000 0.583 252 Y N 2.222 122.474 120.300 -0.080 0.000 2.904 252 Y HA -0.214 4.336 4.550 -0.000 0.000 0.336 252 Y C 1.570 177.358 175.900 -0.187 0.000 1.263 252 Y CA -0.446 57.524 58.100 -0.215 0.000 1.547 252 Y CB 0.484 38.635 38.460 -0.515 0.000 1.272 252 Y HN -0.055 nan 8.280 nan 0.000 0.596 253 N N 3.878 122.384 118.700 -0.323 0.000 2.043 253 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 253 N C 0.792 176.005 175.510 -0.495 0.000 1.037 253 N CA 2.019 54.854 53.050 -0.358 0.000 0.851 253 N CB -0.418 37.915 38.487 -0.256 0.000 1.027 253 N HN 0.665 nan 8.380 nan 0.000 0.422 254 N N -0.365 117.764 118.700 -0.951 0.000 2.635 254 N HA -0.097 4.643 4.740 -0.000 0.000 0.191 254 N C 0.393 175.784 175.510 -0.198 0.000 1.155 254 N CA 0.560 53.242 53.050 -0.612 0.000 0.927 254 N CB -0.046 38.016 38.487 -0.708 0.000 0.976 254 N HN 0.378 nan 8.380 nan 0.000 0.448 255 Y N -0.842 119.245 120.300 -0.355 0.000 2.483 255 Y HA 0.300 4.850 4.550 -0.000 0.000 0.258 255 Y C 1.638 177.406 175.900 -0.221 0.000 1.083 255 Y CA -0.677 57.300 58.100 -0.205 0.000 1.283 255 Y CB 0.323 38.700 38.460 -0.139 0.000 1.178 255 Y HN -0.005 nan 8.280 nan 0.000 0.515 256 I N -0.540 119.973 120.570 -0.094 0.000 2.512 256 I HA -0.079 4.091 4.170 -0.000 0.000 0.247 256 I C 2.048 178.226 176.117 0.101 0.000 1.094 256 I CA 1.568 62.778 61.300 -0.151 0.000 1.427 256 I CB -1.066 36.839 38.000 -0.158 0.000 1.149 256 I HN 0.103 nan 8.210 nan 0.000 0.438 257 S N -1.550 114.142 115.700 -0.013 0.000 2.511 257 S HA 0.030 4.500 4.470 -0.000 0.000 0.214 257 S C 1.197 175.775 174.600 -0.038 0.000 0.997 257 S CA 0.092 58.283 58.200 -0.015 0.000 0.908 257 S CB -0.224 62.946 63.200 -0.050 0.000 0.803 257 S HN 0.391 nan 8.310 nan 0.000 0.504 258 c N 1.277 119.846 118.600 -0.052 0.000 4.497 258 c HA -0.065 4.505 4.570 -0.000 0.000 0.292 258 c C 0.440 174.488 174.090 -0.070 0.000 1.366 258 c CA 0.841 57.138 56.329 -0.053 0.000 1.987 258 c CB -2.804 39.675 42.510 -0.051 0.000 1.241 258 c HN 0.932 nan 8.230 nan 0.000 0.788 259 T N -1.577 112.913 114.554 -0.107 0.000 2.718 259 T HA 0.390 4.739 4.350 -0.000 0.000 0.306 259 T C 0.615 175.230 174.700 -0.142 0.000 1.485 259 T CA 0.146 62.188 62.100 -0.097 0.000 0.997 259 T CB 0.583 69.413 68.868 -0.064 0.000 1.504 259 T HN 0.029 nan 8.240 nan 0.000 0.497 260 N N 0.865 119.505 118.700 -0.101 0.000 2.381 260 N HA 0.057 4.797 4.740 -0.000 0.000 0.182 260 N C 0.276 175.738 175.510 -0.080 0.000 1.025 260 N CA 0.801 53.794 53.050 -0.094 0.000 0.888 260 N CB 0.027 38.491 38.487 -0.038 0.000 0.965 260 N HN 0.318 nan 8.380 nan 0.000 0.438 261 K N 0.975 121.334 120.400 -0.068 0.000 2.206 261 K HA 0.647 4.967 4.320 -0.000 0.000 0.264 261 K C -1.218 175.343 176.600 -0.066 0.000 0.967 261 K CA -0.366 55.889 56.287 -0.053 0.000 0.844 261 K CB 1.656 34.135 32.500 -0.035 0.000 1.099 261 K HN 0.032 nan 8.250 nan 0.000 0.441 262 A N 3.111 125.894 122.820 -0.062 0.000 2.610 262 A HA 0.560 4.880 4.320 -0.000 0.000 0.291 262 A C -1.501 176.045 177.584 -0.064 0.000 1.086 262 A CA -0.899 51.097 52.037 -0.067 0.000 0.677 262 A CB 1.243 20.189 19.000 -0.090 0.000 1.278 262 A HN 0.882 nan 8.150 nan 0.000 0.414 263 N N -0.710 117.948 118.700 -0.070 0.000 2.571 263 N HA 0.498 5.238 4.740 -0.000 0.000 0.273 263 N C 0.371 175.815 175.510 -0.110 0.000 1.340 263 N CA -0.617 52.385 53.050 -0.079 0.000 0.789 263 N CB 1.061 39.512 38.487 -0.060 0.000 1.514 263 N HN 0.587 nan 8.380 nan 0.000 0.499 264 L N -0.401 120.744 121.223 -0.130 0.000 2.129 264 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 264 L C 1.956 178.740 176.870 -0.144 0.000 1.087 264 L CA 1.729 56.464 54.840 -0.176 0.000 0.757 264 L CB -0.383 41.576 42.059 -0.166 0.000 0.896 264 L HN 0.811 nan 8.230 nan 0.000 0.434 265 S N -0.981 114.660 115.700 -0.097 0.000 2.423 265 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 265 S C 1.814 176.390 174.600 -0.040 0.000 1.014 265 S CA 1.241 59.398 58.200 -0.071 0.000 0.965 265 S CB -0.106 63.062 63.200 -0.054 0.000 0.785 265 S HN 0.632 nan 8.310 nan 0.000 0.495 266 Q N -0.046 119.735 119.800 -0.032 0.000 2.311 266 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 266 Q C 2.069 178.127 176.000 0.097 0.000 0.954 266 Q CA 0.999 56.817 55.803 0.025 0.000 0.885 266 Q CB -0.006 28.742 28.738 0.016 0.000 0.963 266 Q HN 0.418 nan 8.270 nan 0.000 0.471 267 V N 0.720 120.629 119.914 -0.010 0.000 2.407 267 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 267 V C 2.215 178.341 176.094 0.053 0.000 1.041 267 V CA 1.681 63.966 62.300 -0.024 0.000 1.040 267 V CB -0.721 30.949 31.823 -0.254 0.000 0.671 267 V HN 0.359 nan 8.190 nan 0.000 0.455 268 A N -0.131 122.680 122.820 -0.014 0.000 2.019 268 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 268 A C 1.913 179.549 177.584 0.087 0.000 1.164 268 A CA 1.925 53.955 52.037 -0.011 0.000 0.644 268 A CB -0.530 18.416 19.000 -0.089 0.000 0.805 268 A HN 0.540 nan 8.150 nan 0.000 0.449 269 D N -0.736 119.719 120.400 0.091 0.000 2.097 269 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 269 D C 1.672 178.037 176.300 0.108 0.000 0.989 269 D CA 1.576 55.622 54.000 0.077 0.000 0.827 269 D CB -0.522 40.282 40.800 0.007 0.000 0.966 269 D HN 0.654 nan 8.370 nan 0.000 0.456 270 H N 0.020 119.132 119.070 0.070 0.000 2.387 270 H HA 0.034 4.589 4.556 -0.000 0.000 0.299 270 H C 2.170 177.595 175.328 0.161 0.000 1.090 270 H CA 0.728 56.835 56.048 0.099 0.000 1.332 270 H CB -0.173 29.631 29.762 0.070 0.000 1.386 270 H HN 0.077 nan 8.280 nan 0.000 0.516 271 L N -0.089 121.319 121.223 0.308 0.000 2.093 271 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 271 L C 1.843 178.996 176.870 0.471 0.000 1.085 271 L CA 0.957 56.005 54.840 0.348 0.000 0.755 271 L CB -0.145 42.075 42.059 0.268 0.000 0.904 271 L HN 0.290 nan 8.230 nan 0.000 0.435 272 D N -1.080 119.573 120.400 0.423 0.000 2.117 272 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 272 D C 1.967 178.363 176.300 0.160 0.000 0.982 272 D CA 1.252 55.460 54.000 0.347 0.000 0.828 272 D CB -0.019 40.946 40.800 0.274 0.000 0.967 272 D HN 0.352 nan 8.370 nan 0.000 0.464 273 H N 0.664 119.769 119.070 0.058 0.000 2.293 273 H HA -0.001 4.555 4.556 -0.000 0.000 0.300 273 H C 2.180 177.500 175.328 -0.013 0.000 1.082 273 H CA 1.434 57.477 56.048 -0.008 0.000 1.308 273 H CB -0.420 29.311 29.762 -0.052 0.000 1.375 273 H HN 0.047 nan 8.280 nan 0.000 0.495 274 I N 0.301 120.869 120.570 -0.003 0.000 2.264 274 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 274 I C 2.568 178.612 176.117 -0.122 0.000 1.111 274 I CA 1.498 62.748 61.300 -0.083 0.000 1.382 274 I CB -0.290 37.723 38.000 0.021 0.000 1.060 274 I HN 0.294 nan 8.210 nan 0.000 0.418 275 K N 0.553 120.900 120.400 -0.089 0.000 2.211 275 K HA -0.161 4.159 4.320 -0.000 0.000 0.203 275 K C 1.933 178.398 176.600 -0.224 0.000 1.050 275 K CA 1.017 57.182 56.287 -0.204 0.000 0.945 275 K CB 0.205 32.452 32.500 -0.421 0.000 0.732 275 K HN 0.220 nan 8.250 nan 0.000 0.451 276 E N 0.181 120.255 120.200 -0.211 0.000 2.033 276 E HA -0.101 4.249 4.350 -0.000 0.000 0.189 276 E C 2.117 178.588 176.600 -0.216 0.000 0.979 276 E CA 1.018 57.296 56.400 -0.203 0.000 0.802 276 E CB -0.156 29.438 29.700 -0.176 0.000 0.763 276 E HN 0.084 nan 8.360 nan 0.000 0.449 277 V N 1.426 121.155 119.914 -0.308 0.000 2.239 277 V HA -0.125 3.995 4.120 -0.000 0.000 0.242 277 V C 2.383 178.369 176.094 -0.180 0.000 1.038 277 V CA 1.932 64.073 62.300 -0.265 0.000 1.002 277 V CB -0.888 30.708 31.823 -0.377 0.000 0.641 277 V HN 0.234 nan 8.190 nan 0.000 0.449 278 A N -0.895 121.819 122.820 -0.177 0.000 2.067 278 A HA 0.449 4.769 4.320 -0.000 0.000 0.217 278 A C 1.301 178.822 177.584 -0.106 0.000 1.156 278 A CA 1.256 53.218 52.037 -0.124 0.000 0.683 278 A CB -0.528 18.401 19.000 -0.119 0.000 0.808 278 A HN 1.365 nan 8.150 nan 0.000 0.455 279 G N -3.237 105.487 108.800 -0.127 0.000 2.587 279 G HA2 0.330 4.290 3.960 -0.000 0.000 0.686 279 G HA3 0.330 4.290 3.960 -0.000 0.000 0.686 279 G C 0.535 175.359 174.900 -0.127 0.000 1.236 279 G CA -0.192 44.837 45.100 -0.120 0.000 0.820 279 G HN 1.269 nan 8.290 nan 0.000 0.645 280 A N 0.228 122.959 122.820 -0.148 0.000 2.172 280 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 280 A C 2.158 179.702 177.584 -0.067 0.000 1.154 280 A CA 1.973 53.916 52.037 -0.158 0.000 0.701 280 A CB -0.313 18.570 19.000 -0.195 0.000 0.789 280 A HN 1.200 nan 8.150 nan 0.000 0.465 281 R N -1.493 118.978 120.500 -0.048 0.000 2.362 281 R HA 0.463 4.803 4.340 -0.000 0.000 0.227 281 R C 0.962 177.253 176.300 -0.014 0.000 0.905 281 R CA 0.743 56.834 56.100 -0.015 0.000 1.067 281 R CB -0.050 30.246 30.300 -0.006 0.000 1.078 281 R HN 0.240 nan 8.270 nan 0.000 0.516 282 A N 1.040 123.841 122.820 -0.032 0.000 2.500 282 A HA 0.286 4.606 4.320 -0.000 0.000 0.267 282 A C -0.013 177.549 177.584 -0.037 0.000 1.290 282 A CA -0.242 51.776 52.037 -0.030 0.000 0.928 282 A CB 0.667 19.639 19.000 -0.046 0.000 1.066 282 A HN 0.124 nan 8.150 nan 0.000 0.516 283 V N -0.574 119.321 119.914 -0.033 0.000 2.604 283 V HA 0.841 4.961 4.120 -0.000 0.000 0.305 283 V C 0.189 176.208 176.094 -0.125 0.000 1.043 283 V CA 0.462 62.733 62.300 -0.048 0.000 0.888 283 V CB 1.680 33.519 31.823 0.026 0.000 0.995 283 V HN 0.630 nan 8.190 nan 0.000 0.429 284 G N 4.400 113.059 108.800 -0.234 0.000 2.706 284 G HA2 0.627 4.586 3.960 -0.000 0.000 0.307 284 G HA3 0.627 4.586 3.960 -0.000 0.000 0.307 284 G C -1.840 172.716 174.900 -0.573 0.000 1.307 284 G CA -0.672 44.178 45.100 -0.416 0.000 0.790 284 G HN 0.559 nan 8.290 nan 0.000 0.503 285 F N -0.292 119.724 119.950 0.110 0.000 2.495 285 F HA 0.660 5.187 4.527 -0.000 0.000 0.327 285 F C 0.698 176.486 175.800 -0.020 0.000 1.103 285 F CA -0.409 57.638 58.000 0.080 0.000 0.949 285 F CB 2.967 42.094 39.000 0.212 0.000 1.142 285 F HN 0.690 nan 8.300 nan 0.000 0.457 286 G N 0.739 109.552 108.800 0.022 0.000 4.379 286 G HA2 0.352 4.312 3.960 -0.000 0.000 0.243 286 G HA3 0.352 4.312 3.960 -0.000 0.000 0.243 286 G C 0.803 175.530 174.900 -0.288 0.000 1.009 286 G CA -0.066 45.011 45.100 -0.037 0.000 0.646 286 G HN 0.982 nan 8.290 nan 0.000 0.475 287 G N 0.884 109.274 108.800 -0.685 0.000 2.507 287 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.221 287 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.221 287 G C 0.922 175.374 174.900 -0.747 0.000 1.119 287 G CA 1.348 45.599 45.100 -1.415 0.000 0.751 287 G HN 0.843 nan 8.290 nan 0.000 0.574 288 D N -2.368 117.849 120.400 -0.304 0.000 2.947 288 D HA -0.151 4.488 4.640 -0.000 0.000 0.224 288 D C -0.209 176.085 176.300 -0.010 0.000 1.132 288 D CA 0.125 54.093 54.000 -0.054 0.000 0.801 288 D CB -1.786 39.002 40.800 -0.020 0.000 1.097 288 D HN 0.139 nan 8.370 nan 0.000 0.431 289 F N 0.989 120.998 119.950 0.099 0.000 2.518 289 F HA 0.185 4.712 4.527 -0.000 0.000 0.359 289 F C 1.930 177.921 175.800 0.319 0.000 1.118 289 F CA 0.335 58.461 58.000 0.210 0.000 1.287 289 F CB 0.389 39.505 39.000 0.193 0.000 1.132 289 F HN -0.018 nan 8.300 nan 0.000 0.587 290 D N 1.146 122.014 120.400 0.781 0.000 2.978 290 D HA -0.192 4.448 4.640 -0.000 0.000 0.205 290 D C 1.451 177.911 176.300 0.267 0.000 1.093 290 D CA 1.353 55.566 54.000 0.355 0.000 1.006 290 D CB -1.098 39.870 40.800 0.279 0.000 1.116 290 D HN 0.805 nan 8.370 nan 0.000 0.419 291 G N -0.337 108.603 108.800 0.233 0.000 2.724 291 G HA2 0.338 4.298 3.960 -0.000 0.000 0.205 291 G HA3 0.338 4.298 3.960 -0.000 0.000 0.205 291 G C 0.699 175.599 174.900 0.000 0.000 1.112 291 G CA 0.711 45.875 45.100 0.108 0.000 0.793 291 G HN 0.397 nan 8.290 nan 0.000 0.526 292 V N -1.990 117.910 119.914 -0.024 0.000 2.769 292 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 292 V C -1.525 174.584 176.094 0.025 0.000 1.058 292 V CA -1.981 60.176 62.300 -0.239 0.000 0.952 292 V CB 2.038 33.441 31.823 -0.700 0.000 1.019 292 V HN -0.007 nan 8.190 nan 0.000 0.445 293 P HA 0.110 nan 4.420 nan 0.000 0.231 293 P C 0.203 177.642 177.300 0.232 0.000 1.168 293 P CA 0.505 63.698 63.100 0.155 0.000 0.779 293 P CB 0.427 32.205 31.700 0.129 0.000 0.844 294 R N 0.239 120.919 120.500 0.300 0.000 2.532 294 R HA 0.517 4.857 4.340 -0.000 0.000 0.297 294 R C -0.762 175.674 176.300 0.227 0.000 0.984 294 R CA -0.766 55.487 56.100 0.255 0.000 0.884 294 R CB 2.708 33.124 30.300 0.194 0.000 1.182 294 R HN -0.155 nan 8.270 nan 0.000 0.442 295 V N 0.514 120.500 119.914 0.121 0.000 2.823 295 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 295 V C -2.590 173.514 176.094 0.016 0.000 1.072 295 V CA -3.152 59.184 62.300 0.060 0.000 0.937 295 V CB 1.930 33.773 31.823 0.035 0.000 1.013 295 V HN 0.535 nan 8.190 nan 0.000 0.430 296 P HA 0.141 nan 4.420 nan 0.000 0.267 296 P C -0.348 176.916 177.300 -0.061 0.000 1.200 296 P CA 0.082 63.137 63.100 -0.074 0.000 0.772 296 P CB 0.282 31.891 31.700 -0.151 0.000 0.855 297 E N 1.324 121.491 120.200 -0.055 0.000 2.366 297 E HA 0.271 4.621 4.350 -0.000 0.000 0.266 297 E C 1.141 177.702 176.600 -0.065 0.000 1.015 297 E CA 0.653 57.027 56.400 -0.043 0.000 0.906 297 E CB -0.219 29.460 29.700 -0.035 0.000 0.979 297 E HN 0.778 nan 8.360 nan 0.000 0.443 298 G N 3.227 111.992 108.800 -0.059 0.000 2.213 298 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.226 298 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.226 298 G C 0.293 175.132 174.900 -0.102 0.000 0.992 298 G CA -0.364 44.690 45.100 -0.077 0.000 0.632 298 G HN 0.486 nan 8.290 nan 0.000 0.511 299 L N 0.593 121.758 121.223 -0.096 0.000 2.725 299 L HA 0.412 4.752 4.340 -0.000 0.000 0.270 299 L C 1.080 177.965 176.870 0.024 0.000 1.422 299 L CA -0.432 54.361 54.840 -0.077 0.000 0.770 299 L CB 1.141 43.081 42.059 -0.199 0.000 1.081 299 L HN 0.069 nan 8.230 nan 0.000 0.527 300 E N 0.619 120.808 120.200 -0.018 0.000 2.216 300 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 300 E C -0.179 176.373 176.600 -0.079 0.000 0.988 300 E CA 0.867 57.262 56.400 -0.007 0.000 0.834 300 E CB 0.214 29.920 29.700 0.009 0.000 0.772 300 E HN 0.706 nan 8.360 nan 0.000 0.479 301 D N -3.166 117.097 120.400 -0.228 0.000 2.768 301 D HA 0.025 4.665 4.640 -0.000 0.000 0.327 301 D C 0.589 176.406 176.300 -0.805 0.000 1.302 301 D CA -0.279 53.413 54.000 -0.514 0.000 0.897 301 D CB 0.676 41.374 40.800 -0.170 0.000 1.420 301 D HN -0.151 nan 8.370 nan 0.000 0.494 302 V N -1.276 118.170 119.914 -0.780 0.000 3.330 302 V HA -0.060 4.060 4.120 -0.000 0.000 0.273 302 V C 1.333 177.468 176.094 0.067 0.000 1.179 302 V CA 1.915 64.020 62.300 -0.326 0.000 1.174 302 V CB -1.290 30.521 31.823 -0.019 0.000 0.794 302 V HN 0.638 nan 8.190 nan 0.000 0.527 303 S N -0.624 115.060 115.700 -0.026 0.000 2.528 303 S HA 0.107 4.577 4.470 -0.000 0.000 0.219 303 S C 1.591 176.241 174.600 0.083 0.000 0.985 303 S CA -0.104 58.138 58.200 0.068 0.000 0.914 303 S CB -0.235 62.980 63.200 0.025 0.000 0.776 303 S HN 0.555 nan 8.310 nan 0.000 0.526 304 K N 0.932 121.326 120.400 -0.011 0.000 2.525 304 K HA 0.153 4.472 4.320 -0.000 0.000 0.192 304 K C 0.823 177.398 176.600 -0.042 0.000 1.029 304 K CA 0.285 56.546 56.287 -0.043 0.000 1.029 304 K CB -0.724 31.715 32.500 -0.103 0.000 0.814 304 K HN 0.540 nan 8.250 nan 0.000 0.503 305 Y N 1.314 121.627 120.300 0.021 0.000 2.193 305 Y HA -0.171 4.379 4.550 -0.000 0.000 0.285 305 Y C -0.637 175.196 175.900 -0.113 0.000 1.166 305 Y CA 1.369 59.440 58.100 -0.049 0.000 1.181 305 Y CB -1.446 36.993 38.460 -0.034 0.000 0.976 305 Y HN 0.170 nan 8.280 nan 0.000 0.520 306 P HA -0.100 nan 4.420 nan 0.000 0.222 306 P C 0.854 178.108 177.300 -0.076 0.000 1.147 306 P CA 1.700 64.763 63.100 -0.062 0.000 0.790 306 P CB 0.096 31.739 31.700 -0.094 0.000 0.780 307 D N -1.054 119.308 120.400 -0.063 0.000 2.149 307 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 307 D C 1.766 177.992 176.300 -0.122 0.000 0.972 307 D CA 0.810 54.762 54.000 -0.081 0.000 0.835 307 D CB -0.634 40.119 40.800 -0.079 0.000 0.966 307 D HN 0.078 nan 8.370 nan 0.000 0.476 308 L N 0.647 121.773 121.223 -0.161 0.000 2.109 308 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 308 L C 1.894 178.652 176.870 -0.187 0.000 1.086 308 L CA 1.037 55.754 54.840 -0.205 0.000 0.760 308 L CB -0.255 41.638 42.059 -0.276 0.000 0.910 308 L HN -0.074 nan 8.230 nan 0.000 0.437 309 I N -0.016 120.465 120.570 -0.149 0.000 2.315 309 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 309 I C 2.621 178.655 176.117 -0.139 0.000 1.117 309 I CA 1.340 62.563 61.300 -0.128 0.000 1.404 309 I CB -1.779 36.170 38.000 -0.085 0.000 1.071 309 I HN 0.328 nan 8.210 nan 0.000 0.419 310 A N 0.527 123.280 122.820 -0.110 0.000 1.902 310 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 310 A C 2.277 179.749 177.584 -0.186 0.000 1.181 310 A CA 1.903 53.904 52.037 -0.060 0.000 0.623 310 A CB -0.541 18.461 19.000 0.004 0.000 0.818 310 A HN 0.395 nan 8.150 nan 0.000 0.443 311 E N 0.330 120.406 120.200 -0.207 0.000 2.106 311 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 311 E C 1.765 178.165 176.600 -0.334 0.000 0.984 311 E CA 1.173 57.419 56.400 -0.257 0.000 0.806 311 E CB -0.414 29.167 29.700 -0.199 0.000 0.750 311 E HN 0.614 nan 8.360 nan 0.000 0.458 312 L N -0.149 120.838 121.223 -0.392 0.000 2.109 312 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 312 L C 2.439 179.105 176.870 -0.341 0.000 1.086 312 L CA 0.751 55.217 54.840 -0.623 0.000 0.760 312 L CB -0.383 41.105 42.059 -0.953 0.000 0.910 312 L HN 0.201 nan 8.230 nan 0.000 0.437 313 L N -0.845 120.237 121.223 -0.237 0.000 2.141 313 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 313 L C 2.867 179.504 176.870 -0.390 0.000 1.094 313 L CA 0.701 55.485 54.840 -0.094 0.000 0.763 313 L CB -0.508 41.605 42.059 0.090 0.000 0.908 313 L HN 0.246 nan 8.230 nan 0.000 0.437 314 R N 0.979 120.964 120.500 -0.857 0.000 2.073 314 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 314 R C 1.862 177.941 176.300 -0.369 0.000 1.134 314 R CA 1.282 56.721 56.100 -1.101 0.000 0.952 314 R CB -0.109 29.712 30.300 -0.799 0.000 0.850 314 R HN 0.345 nan 8.270 nan 0.000 0.433 315 R N 0.654 121.041 120.500 -0.189 0.000 2.340 315 R HA -0.001 4.339 4.340 -0.000 0.000 0.215 315 R C 0.197 176.600 176.300 0.172 0.000 1.017 315 R CA 0.243 56.357 56.100 0.023 0.000 1.111 315 R CB -0.378 29.975 30.300 0.090 0.000 1.049 315 R HN 0.245 nan 8.270 nan 0.000 0.490 316 N N -0.856 117.919 118.700 0.124 0.000 2.776 316 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 316 N C -1.328 174.341 175.510 0.265 0.000 1.112 316 N CA 0.446 53.602 53.050 0.176 0.000 0.733 316 N CB -0.866 37.693 38.487 0.119 0.000 1.097 316 N HN 0.237 nan 8.380 nan 0.000 0.558 317 W N 1.095 122.399 121.300 0.007 0.000 2.170 317 W HA 0.298 4.958 4.660 -0.000 0.000 0.336 317 W C 1.343 177.887 176.519 0.042 0.000 1.283 317 W CA 0.207 57.566 57.345 0.022 0.000 1.224 317 W CB 0.056 29.532 29.460 0.026 0.000 1.132 317 W HN 0.152 nan 8.180 nan 0.000 0.571 318 T N -1.410 113.279 114.554 0.226 0.000 2.828 318 T HA 0.092 4.442 4.350 -0.000 0.000 0.290 318 T C 1.018 175.830 174.700 0.186 0.000 1.019 318 T CA -0.412 61.785 62.100 0.162 0.000 1.031 318 T CB 1.245 70.165 68.868 0.086 0.000 1.001 318 T HN 0.638 nan 8.240 nan 0.000 0.531 319 E N 0.643 120.929 120.200 0.142 0.000 2.077 319 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 319 E C 2.295 178.970 176.600 0.125 0.000 0.989 319 E CA 1.160 57.636 56.400 0.126 0.000 0.800 319 E CB -0.535 29.221 29.700 0.093 0.000 0.746 319 E HN 0.819 nan 8.360 nan 0.000 0.452 320 A N 0.928 123.812 122.820 0.106 0.000 1.930 320 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 320 A C 1.900 179.554 177.584 0.117 0.000 1.175 320 A CA 1.508 53.602 52.037 0.095 0.000 0.627 320 A CB -0.423 18.616 19.000 0.065 0.000 0.815 320 A HN 0.303 nan 8.150 nan 0.000 0.443 321 E N -0.272 120.009 120.200 0.135 0.000 2.110 321 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 321 E C 2.093 178.894 176.600 0.334 0.000 0.988 321 E CA 1.636 58.136 56.400 0.168 0.000 0.804 321 E CB -0.295 29.460 29.700 0.093 0.000 0.745 321 E HN 0.653 nan 8.360 nan 0.000 0.458 322 V N -0.903 119.222 119.914 0.352 0.000 2.591 322 V HA -0.097 4.023 4.120 -0.000 0.000 0.249 322 V C 1.946 178.179 176.094 0.233 0.000 1.053 322 V CA 1.239 63.730 62.300 0.319 0.000 1.068 322 V CB -0.336 31.620 31.823 0.222 0.000 0.689 322 V HN 0.036 nan 8.190 nan 0.000 0.462 323 K N 1.197 121.704 120.400 0.179 0.000 2.097 323 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 323 K C 2.252 178.948 176.600 0.161 0.000 1.049 323 K CA 1.607 57.983 56.287 0.149 0.000 0.933 323 K CB -0.724 31.846 32.500 0.116 0.000 0.717 323 K HN 0.630 nan 8.250 nan 0.000 0.442 324 G N 0.689 109.579 108.800 0.152 0.000 2.408 324 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 324 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 324 G C 1.537 176.511 174.900 0.124 0.000 1.150 324 G CA 0.867 46.043 45.100 0.127 0.000 0.776 324 G HN 0.355 nan 8.290 nan 0.000 0.542 325 A N 0.148 123.056 122.820 0.147 0.000 1.968 325 A HA 0.261 4.581 4.320 -0.000 0.000 0.217 325 A C 2.378 180.026 177.584 0.108 0.000 1.169 325 A CA 0.783 52.834 52.037 0.023 0.000 0.638 325 A CB -0.237 18.771 19.000 0.013 0.000 0.812 325 A HN 0.352 nan 8.150 nan 0.000 0.446 326 L N -1.589 119.819 121.223 0.310 0.000 1.973 326 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 326 L C 2.682 179.735 176.870 0.304 0.000 1.073 326 L CA 1.647 56.722 54.840 0.392 0.000 0.746 326 L CB -0.222 41.993 42.059 0.261 0.000 0.891 326 L HN 0.446 nan 8.230 nan 0.000 0.433 327 A N -2.257 120.716 122.820 0.254 0.000 1.817 327 A HA 0.028 4.348 4.320 -0.000 0.000 0.204 327 A C 1.595 179.312 177.584 0.222 0.000 1.741 327 A CA 0.151 52.358 52.037 0.283 0.000 1.196 327 A CB -0.218 19.034 19.000 0.419 0.000 1.211 327 A HN 0.231 nan 8.150 nan 0.000 0.450 328 D N 1.554 122.067 120.400 0.189 0.000 2.158 328 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 328 D C 1.387 177.758 176.300 0.119 0.000 0.995 328 D CA 1.664 55.752 54.000 0.147 0.000 0.846 328 D CB -0.136 40.740 40.800 0.126 0.000 0.941 328 D HN 0.422 nan 8.370 nan 0.000 0.456 329 N N 0.134 118.897 118.700 0.104 0.000 2.216 329 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 329 N C 1.813 177.376 175.510 0.087 0.000 1.017 329 N CA 0.140 53.236 53.050 0.077 0.000 0.861 329 N CB -0.354 38.160 38.487 0.046 0.000 0.986 329 N HN 0.188 nan 8.380 nan 0.000 0.428 330 L N 1.207 122.495 121.223 0.108 0.000 2.056 330 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 330 L C 1.822 178.805 176.870 0.189 0.000 1.078 330 L CA 1.229 56.143 54.840 0.124 0.000 0.749 330 L CB -0.798 41.358 42.059 0.161 0.000 0.901 330 L HN 0.121 nan 8.230 nan 0.000 0.433 331 L N -0.188 121.150 121.223 0.193 0.000 2.046 331 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 331 L C 2.902 179.875 176.870 0.171 0.000 1.077 331 L CA 1.420 56.379 54.840 0.198 0.000 0.747 331 L CB -0.577 41.562 42.059 0.134 0.000 0.896 331 L HN 0.352 nan 8.230 nan 0.000 0.432 332 R N 0.082 120.660 120.500 0.130 0.000 2.073 332 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 332 R C 2.179 178.549 176.300 0.116 0.000 1.134 332 R CA 1.681 57.842 56.100 0.101 0.000 0.952 332 R CB -0.195 30.151 30.300 0.076 0.000 0.850 332 R HN 0.171 nan 8.270 nan 0.000 0.433 333 V N 1.045 121.032 119.914 0.122 0.000 2.358 333 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 333 V C 2.223 178.439 176.094 0.203 0.000 1.047 333 V CA 1.533 63.902 62.300 0.115 0.000 1.035 333 V CB -0.765 31.095 31.823 0.063 0.000 0.658 333 V HN 0.289 nan 8.190 nan 0.000 0.452 334 F N 1.517 121.506 119.950 0.066 0.000 2.102 334 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 334 F C 2.445 178.284 175.800 0.064 0.000 1.105 334 F CA 1.851 59.903 58.000 0.086 0.000 1.239 334 F CB -0.653 38.418 39.000 0.118 0.000 0.991 334 F HN 0.304 nan 8.300 nan 0.000 0.474 335 E N -0.195 120.122 120.200 0.195 0.000 2.153 335 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 335 E C 2.256 178.900 176.600 0.073 0.000 0.988 335 E CA 1.009 57.437 56.400 0.048 0.000 0.811 335 E CB -0.331 29.382 29.700 0.023 0.000 0.746 335 E HN 0.386 nan 8.360 nan 0.000 0.466 336 A N 0.874 123.755 122.820 0.103 0.000 2.015 336 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 336 A C 2.390 180.027 177.584 0.089 0.000 1.163 336 A CA 0.786 52.870 52.037 0.078 0.000 0.646 336 A CB -0.223 18.819 19.000 0.070 0.000 0.806 336 A HN 0.107 nan 8.150 nan 0.000 0.448 337 V N -0.114 119.888 119.914 0.146 0.000 2.591 337 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 337 V C 2.260 178.437 176.094 0.138 0.000 1.053 337 V CA 1.954 64.348 62.300 0.158 0.000 1.068 337 V CB -0.583 31.388 31.823 0.247 0.000 0.689 337 V HN 0.633 nan 8.190 nan 0.000 0.462 338 E N -0.116 120.156 120.200 0.121 0.000 2.107 338 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 338 E C 2.208 178.828 176.600 0.033 0.000 0.982 338 E CA 0.952 57.386 56.400 0.056 0.000 0.809 338 E CB -0.094 29.585 29.700 -0.035 0.000 0.756 338 E HN 0.658 nan 8.360 nan 0.000 0.459 339 Q N 0.028 119.846 119.800 0.030 0.000 2.297 339 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 339 Q C 1.794 177.806 176.000 0.020 0.000 0.962 339 Q CA 0.965 56.780 55.803 0.019 0.000 0.879 339 Q CB 0.191 28.939 28.738 0.018 0.000 0.947 339 Q HN 0.172 nan 8.270 nan 0.000 0.462 340 A N 0.938 123.775 122.820 0.028 0.000 2.238 340 A HA 0.070 4.390 4.320 -0.000 0.000 0.210 340 A C 1.031 178.621 177.584 0.011 0.000 1.179 340 A CA -0.059 51.989 52.037 0.019 0.000 0.827 340 A CB 0.123 19.137 19.000 0.023 0.000 0.856 340 A HN 0.297 nan 8.150 nan 0.000 0.488 341 S N -0.290 115.419 115.700 0.015 0.000 2.580 341 S HA 0.303 4.773 4.470 -0.000 0.000 0.274 341 S C -0.310 174.284 174.600 -0.009 0.000 1.329 341 S CA -0.418 57.780 58.200 -0.003 0.000 1.036 341 S CB 0.678 63.882 63.200 0.006 0.000 0.919 341 S HN 0.389 nan 8.310 nan 0.000 0.515 342 N N 2.214 120.899 118.700 -0.025 0.000 2.804 342 N HA 0.257 4.997 4.740 -0.000 0.000 0.251 342 N C 0.502 175.994 175.510 -0.029 0.000 1.250 342 N CA -0.471 52.567 53.050 -0.021 0.000 0.820 342 N CB 0.263 38.737 38.487 -0.021 0.000 1.156 342 N HN 0.468 nan 8.380 nan 0.000 0.512 343 L N 0.888 122.099 121.223 -0.020 0.000 2.201 343 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 343 L C 1.957 178.821 176.870 -0.010 0.000 1.105 343 L CA 1.466 56.295 54.840 -0.018 0.000 0.775 343 L CB -1.286 40.779 42.059 0.009 0.000 0.913 343 L HN 0.524 nan 8.230 nan 0.000 0.440 344 T N -1.208 113.341 114.554 -0.007 0.000 2.904 344 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 344 T C 1.115 175.810 174.700 -0.009 0.000 1.059 344 T CA 0.303 62.401 62.100 -0.004 0.000 1.137 344 T CB -0.028 68.839 68.868 -0.002 0.000 0.879 344 T HN 0.335 nan 8.240 nan 0.000 0.467 345 Q N 1.062 120.853 119.800 -0.015 0.000 2.395 345 Q HA 0.358 4.698 4.340 -0.000 0.000 0.271 345 Q C -0.264 175.724 176.000 -0.021 0.000 1.026 345 Q CA -0.561 55.231 55.803 -0.018 0.000 0.900 345 Q CB 0.448 29.172 28.738 -0.023 0.000 1.266 345 Q HN 0.396 nan 8.270 nan 0.000 0.430 346 A N 5.522 128.332 122.820 -0.017 0.000 2.524 346 A HA 0.290 4.610 4.320 -0.000 0.000 0.250 346 A C -2.188 175.381 177.584 -0.024 0.000 1.078 346 A CA -1.085 50.942 52.037 -0.017 0.000 0.761 346 A CB -0.226 18.767 19.000 -0.012 0.000 1.012 346 A HN 0.587 nan 8.150 nan 0.000 0.500 347 P HA 0.088 nan 4.420 nan 0.000 0.267 347 P C -0.137 177.147 177.300 -0.027 0.000 1.200 347 P CA -0.014 63.066 63.100 -0.033 0.000 0.772 347 P CB 0.482 32.169 31.700 -0.023 0.000 0.855 348 E N 2.181 122.358 120.200 -0.038 0.000 2.360 348 E HA -0.011 4.339 4.350 -0.000 0.000 0.269 348 E C 0.731 177.328 176.600 -0.004 0.000 1.022 348 E CA 0.407 56.790 56.400 -0.028 0.000 0.887 348 E CB 0.530 30.196 29.700 -0.057 0.000 0.990 348 E HN 0.584 nan 8.360 nan 0.000 0.426 349 E N 1.278 121.485 120.200 0.012 0.000 2.702 349 E HA 0.067 4.417 4.350 -0.000 0.000 0.225 349 E C 0.004 176.626 176.600 0.036 0.000 0.942 349 E CA -0.222 56.190 56.400 0.021 0.000 1.210 349 E CB 0.254 29.958 29.700 0.005 0.000 1.143 349 E HN 0.324 nan 8.360 nan 0.000 0.544 350 E N 3.970 124.203 120.200 0.056 0.000 2.104 350 E HA 0.129 4.479 4.350 -0.000 0.000 0.278 350 E C -1.840 174.837 176.600 0.127 0.000 1.127 350 E CA -2.240 54.204 56.400 0.073 0.000 0.897 350 E CB 0.603 30.349 29.700 0.076 0.000 1.043 350 E HN 0.096 nan 8.360 nan 0.000 0.410 351 P HA -0.038 nan 4.420 nan 0.000 0.271 351 P C 0.175 177.460 177.300 -0.026 0.000 1.233 351 P CA -0.114 63.016 63.100 0.051 0.000 0.789 351 P CB 0.843 32.552 31.700 0.014 0.000 0.951 352 I N 1.495 121.840 120.570 -0.374 0.000 2.634 352 I HA 0.136 4.306 4.170 -0.000 0.000 0.284 352 I C -2.076 173.934 176.117 -0.178 0.000 1.124 352 I CA -2.394 58.543 61.300 -0.605 0.000 1.417 352 I CB 0.706 38.022 38.000 -1.139 0.000 1.396 352 I HN 0.217 nan 8.210 nan 0.000 0.571 353 P HA -0.079 nan 4.420 nan 0.000 0.264 353 P C 0.334 177.482 177.300 -0.253 0.000 1.183 353 P CA -0.083 62.957 63.100 -0.101 0.000 0.763 353 P CB 0.590 32.253 31.700 -0.062 0.000 0.807 354 L N 4.319 125.272 121.223 -0.450 0.000 2.079 354 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 354 L C 1.742 178.375 176.870 -0.395 0.000 1.081 354 L CA 2.009 56.425 54.840 -0.705 0.000 0.752 354 L CB -1.055 40.458 42.059 -0.910 0.000 0.896 354 L HN 0.454 nan 8.230 nan 0.000 0.433 355 D N -1.603 118.640 120.400 -0.261 0.000 2.309 355 D HA -0.258 4.382 4.640 -0.000 0.000 0.212 355 D C 1.639 177.868 176.300 -0.118 0.000 0.968 355 D CA 1.021 54.920 54.000 -0.169 0.000 0.882 355 D CB -0.293 40.438 40.800 -0.116 0.000 0.918 355 D HN 0.564 nan 8.370 nan 0.000 0.503 356 Q N -0.243 119.486 119.800 -0.118 0.000 2.425 356 Q HA 0.225 4.565 4.340 -0.000 0.000 0.204 356 Q C 0.505 176.476 176.000 -0.049 0.000 0.933 356 Q CA -0.071 55.696 55.803 -0.061 0.000 0.939 356 Q CB 0.670 29.386 28.738 -0.037 0.000 1.044 356 Q HN 0.309 nan 8.270 nan 0.000 0.513 357 L N 1.420 122.587 121.223 -0.093 0.000 2.278 357 L HA 0.302 4.642 4.340 -0.000 0.000 0.287 357 L C 0.555 177.416 176.870 -0.014 0.000 1.072 357 L CA -0.642 54.171 54.840 -0.045 0.000 0.819 357 L CB 0.751 42.770 42.059 -0.067 0.000 1.176 357 L HN 0.063 nan 8.230 nan 0.000 0.435 358 G N 1.591 110.401 108.800 0.015 0.000 0.000 358 G HA2 0.687 4.647 3.960 -0.000 0.000 0.000 358 G HA3 0.687 4.647 3.960 -0.000 0.000 0.000 358 G C -0.113 174.804 174.900 0.029 0.000 0.000 358 G CA -0.114 44.996 45.100 0.017 0.000 0.000 358 G HN 0.894 nan 8.290 nan 0.000 0.000 359 G N -1.657 107.155 108.800 0.021 0.000 2.758 359 G HA2 0.083 4.043 3.960 -0.000 0.000 0.686 359 G HA3 0.083 4.043 3.960 -0.000 0.000 0.686 359 G C 0.242 175.153 174.900 0.018 0.000 1.389 359 G CA 0.099 45.211 45.100 0.020 0.000 0.845 359 G HN 1.319 nan 8.290 nan 0.000 0.572 360 S N -0.526 115.179 115.700 0.009 0.000 2.562 360 S HA 0.317 4.787 4.470 -0.000 0.000 0.246 360 S C 0.551 175.142 174.600 -0.016 0.000 1.056 360 S CA 0.283 58.481 58.200 -0.003 0.000 1.042 360 S CB 0.264 63.463 63.200 -0.002 0.000 0.822 360 S HN 0.917 nan 8.310 nan 0.000 0.465 361 C N 3.449 122.743 119.300 -0.010 0.000 2.534 361 C HA 0.480 4.940 4.460 -0.000 0.000 0.285 361 C C 0.718 175.695 174.990 -0.021 0.000 1.505 361 C CA -0.839 58.172 59.018 -0.011 0.000 1.715 361 C CB -1.640 26.105 27.740 0.009 0.000 2.935 361 C HN 0.679 nan 8.230 nan 0.000 0.540 362 R N -1.040 119.418 120.500 -0.069 0.000 2.733 362 R HA 0.730 5.070 4.340 -0.000 0.000 0.272 362 R C -1.055 175.083 176.300 -0.269 0.000 1.029 362 R CA -0.385 55.654 56.100 -0.101 0.000 0.888 362 R CB 0.861 31.135 30.300 -0.043 0.000 1.251 362 R HN 0.172 nan 8.270 nan 0.000 0.464 363 T N -2.300 112.087 114.554 -0.279 0.000 2.932 363 T HA 0.400 4.750 4.350 -0.000 0.000 0.289 363 T C -0.087 174.328 174.700 -0.475 0.000 1.039 363 T CA -0.858 60.947 62.100 -0.492 0.000 1.024 363 T CB 1.503 70.147 68.868 -0.372 0.000 1.090 363 T HN 0.788 nan 8.240 nan 0.000 0.496 364 H N -0.553 118.337 119.070 -0.301 0.000 2.488 364 H HA 0.302 4.858 4.556 -0.000 0.000 0.294 364 H C -0.616 174.705 175.328 -0.012 0.000 1.088 364 H CA -0.735 55.264 56.048 -0.083 0.000 1.086 364 H CB -0.261 29.459 29.762 -0.070 0.000 1.569 364 H HN 0.432 nan 8.280 nan 0.000 0.548 365 Y N 0.443 120.853 120.300 0.183 0.000 2.578 365 Y HA 0.188 4.738 4.550 -0.000 0.000 0.339 365 Y C 1.771 177.701 175.900 0.050 0.000 1.231 365 Y CA 1.182 59.343 58.100 0.101 0.000 1.461 365 Y CB 0.454 38.940 38.460 0.044 0.000 1.323 365 Y HN 0.479 nan 8.280 nan 0.000 0.590 366 G N 0.367 109.250 108.800 0.137 0.000 2.317 366 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.227 366 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.227 366 G C 0.700 175.473 174.900 -0.212 0.000 1.042 366 G CA 0.606 45.645 45.100 -0.102 0.000 0.623 366 G HN 0.638 nan 8.290 nan 0.000 0.509 367 Y N -0.271 120.068 120.300 0.066 0.000 2.506 367 Y HA 0.433 4.983 4.550 -0.000 0.000 0.287 367 Y C 2.384 178.299 175.900 0.026 0.000 1.147 367 Y CA 1.221 59.336 58.100 0.024 0.000 1.241 367 Y CB 0.251 38.706 38.460 -0.009 0.000 1.279 367 Y HN 0.480 nan 8.280 nan 0.000 0.527 368 S N -0.985 114.853 115.700 0.230 0.000 2.765 368 S HA -0.180 4.290 4.470 -0.000 0.000 0.266 368 S C 0.423 175.081 174.600 0.096 0.000 1.302 368 S CA 0.584 58.870 58.200 0.144 0.000 1.274 368 S CB -1.593 61.673 63.200 0.111 0.000 1.559 368 S HN 0.301 nan 8.310 nan 0.000 0.658 369 S N 0.000 115.743 115.700 0.071 0.000 2.498 369 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 369 S CA 0.000 58.175 58.200 -0.042 0.000 1.107 369 S CB 0.000 63.145 63.200 -0.092 0.000 0.593 369 S HN 0.000 nan 8.310 nan 0.000 0.517