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 1olp_1_C DATA FIRST_RESID 1 DATA SEQUENCE WDGKEDGTGT HSVIVTQAIE MLKHDLSKDE PEAIRNDLSI LEKNLHKFQL DATA SEQUENCE GSTFPDYDPN AYSLYQDHFW DPDTDHNFTQ DNKWYLSYAV PDNAESQTRK DATA SEQUENCE FATLAKNEWD KGNYEKAAWY LGQGMHYFGD LNTPYHAANV TAVDSPGHVK DATA SEQUENCE FETYAEERKD TYRLDTTGYN TDDAFYKDTL KNDNFNEWSK GYCKYWAKKA DATA SEQUENCE KNLYYSHATM SNSWDDWEYA ASHGVGNAQK GVAGYLYRFL NDVSNKDAVD DATA SEQUENCE KDYDLNEIVV MIKTADVQDA GTDNYIYFGI ETKDGVKEEW ALDNPGNDFT DATA SEQUENCE RNQEGTYTLK LKNKNTKYSD IKNMWIRDEK LTVATDGWKP SYVKVIAGDK DATA SEQUENCE VRLEKNINEW ISGGTTYTLK 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 W HA 0.000 nan 4.660 nan 0.000 0.303 1 W C 0.000 176.458 176.519 -0.101 0.000 1.175 1 W CA 0.000 57.129 57.345 -0.360 0.000 1.226 1 W CB 0.000 29.041 29.460 -0.699 0.000 1.126 2 D N 0.565 121.085 120.400 0.201 0.000 2.399 2 D HA 0.482 5.123 4.640 0.001 0.000 0.241 2 D C 0.320 176.773 176.300 0.256 0.000 1.133 2 D CA 1.027 55.133 54.000 0.176 0.000 0.890 2 D CB 0.937 41.796 40.800 0.099 0.000 1.201 2 D HN 0.654 nan 8.370 nan 0.000 0.432 3 G N 0.629 109.600 108.800 0.286 0.000 2.704 3 G HA2 0.542 4.503 3.960 0.001 0.000 0.293 3 G HA3 0.542 4.503 3.960 0.001 0.000 0.293 3 G C -1.069 174.023 174.900 0.320 0.000 1.421 3 G CA -0.790 44.484 45.100 0.290 0.000 0.870 3 G HN 0.221 nan 8.290 nan 0.000 0.492 4 K N -0.101 120.406 120.400 0.180 0.000 2.221 4 K HA 0.373 4.693 4.320 0.001 0.000 0.243 4 K C 0.904 177.399 176.600 -0.175 0.000 0.968 4 K CA -0.707 55.600 56.287 0.033 0.000 0.846 4 K CB 2.761 35.260 32.500 -0.003 0.000 1.141 4 K HN 0.589 nan 8.250 nan 0.000 0.434 5 E N 0.976 120.813 120.200 -0.604 0.000 2.204 5 E HA -0.193 4.158 4.350 0.001 0.000 0.194 5 E C 0.464 176.964 176.600 -0.167 0.000 0.989 5 E CA 1.439 57.522 56.400 -0.529 0.000 0.824 5 E CB 0.198 29.482 29.700 -0.694 0.000 0.756 5 E HN 0.633 nan 8.360 nan 0.000 0.477 6 D N -0.811 119.519 120.400 -0.117 0.000 2.378 6 D HA -0.027 4.614 4.640 0.001 0.000 0.227 6 D C 1.030 177.336 176.300 0.010 0.000 1.012 6 D CA 0.850 54.838 54.000 -0.021 0.000 0.905 6 D CB -0.195 40.605 40.800 0.001 0.000 0.895 6 D HN 0.233 nan 8.370 nan 0.000 0.532 7 G N -0.061 108.731 108.800 -0.014 0.000 2.204 7 G HA2 -0.191 3.770 3.960 0.001 0.000 0.244 7 G HA3 -0.191 3.770 3.960 0.001 0.000 0.244 7 G C 0.243 175.155 174.900 0.020 0.000 1.062 7 G CA 0.410 45.506 45.100 -0.005 0.000 0.798 7 G HN 0.827 nan 8.290 nan 0.000 0.496 8 T N -2.777 111.790 114.554 0.022 0.000 2.910 8 T HA 1.043 5.393 4.350 0.001 0.000 0.287 8 T C 0.870 175.585 174.700 0.025 0.000 1.050 8 T CA 0.358 62.468 62.100 0.017 0.000 1.011 8 T CB 2.512 71.385 68.868 0.008 0.000 1.195 8 T HN 2.344 nan 8.240 nan 0.000 0.540 9 G N 0.102 108.900 108.800 -0.002 0.000 2.582 9 G HA2 -0.101 3.859 3.960 0.001 0.000 0.222 9 G HA3 -0.101 3.859 3.960 0.001 0.000 0.222 9 G C 0.573 175.445 174.900 -0.046 0.000 1.311 9 G CA 0.148 45.242 45.100 -0.010 0.000 0.915 9 G HN 1.033 nan 8.290 nan 0.000 0.528 10 T N 0.259 114.766 114.554 -0.079 0.000 2.652 10 T HA -0.140 4.211 4.350 0.001 0.000 0.267 10 T C 1.928 176.479 174.700 -0.247 0.000 1.039 10 T CA 2.165 64.129 62.100 -0.226 0.000 1.153 10 T CB -0.420 68.271 68.868 -0.295 0.000 0.863 10 T HN 0.551 nan 8.240 nan 0.000 0.428 11 H N 0.346 119.372 119.070 -0.075 0.000 2.387 11 H HA -0.012 4.545 4.556 0.001 0.000 0.299 11 H C 2.746 178.005 175.328 -0.115 0.000 1.099 11 H CA 1.530 57.532 56.048 -0.077 0.000 1.315 11 H CB -0.324 29.439 29.762 0.001 0.000 1.380 11 H HN 0.295 nan 8.280 nan 0.000 0.513 12 S N -0.138 115.575 115.700 0.021 0.000 2.371 12 S HA -0.068 4.403 4.470 0.001 0.000 0.224 12 S C 2.414 176.975 174.600 -0.065 0.000 1.029 12 S CA 0.780 58.954 58.200 -0.043 0.000 0.978 12 S CB -0.285 62.905 63.200 -0.017 0.000 0.833 12 S HN 0.107 nan 8.310 nan 0.000 0.466 13 V N 2.182 122.047 119.914 -0.082 0.000 2.332 13 V HA -0.182 3.939 4.120 0.001 0.000 0.248 13 V C 2.201 178.235 176.094 -0.099 0.000 1.055 13 V CA 1.894 64.137 62.300 -0.095 0.000 1.038 13 V CB -0.648 31.093 31.823 -0.137 0.000 0.651 13 V HN 0.484 nan 8.190 nan 0.000 0.450 14 I N 0.574 121.059 120.570 -0.141 0.000 2.091 14 I HA -0.248 3.923 4.170 0.001 0.000 0.239 14 I C 2.465 178.556 176.117 -0.043 0.000 1.061 14 I CA 2.234 63.458 61.300 -0.126 0.000 1.317 14 I CB -0.495 37.399 38.000 -0.177 0.000 1.031 14 I HN 0.376 nan 8.210 nan 0.000 0.401 15 V N -2.770 117.109 119.914 -0.059 0.000 2.667 15 V HA -0.150 3.970 4.120 0.001 0.000 0.252 15 V C 2.156 178.324 176.094 0.124 0.000 1.065 15 V CA 2.012 64.300 62.300 -0.020 0.000 1.083 15 V CB -1.027 30.545 31.823 -0.418 0.000 0.692 15 V HN 0.373 nan 8.190 nan 0.000 0.468 16 T N -0.277 114.311 114.554 0.056 0.000 2.812 16 T HA -0.101 4.250 4.350 0.001 0.000 0.264 16 T C 2.024 176.778 174.700 0.090 0.000 1.042 16 T CA 1.631 63.792 62.100 0.102 0.000 1.140 16 T CB -0.291 68.607 68.868 0.050 0.000 0.870 16 T HN 0.416 nan 8.240 nan 0.000 0.445 17 Q N 0.832 120.659 119.800 0.045 0.000 2.170 17 Q HA 0.074 4.414 4.340 0.001 0.000 0.203 17 Q C 2.629 178.676 176.000 0.078 0.000 0.976 17 Q CA 1.376 57.201 55.803 0.037 0.000 0.858 17 Q CB -0.673 28.061 28.738 -0.007 0.000 0.907 17 Q HN 0.563 nan 8.270 nan 0.000 0.433 18 A N 0.635 123.520 122.820 0.108 0.000 1.902 18 A HA -0.150 4.170 4.320 0.001 0.000 0.217 18 A C 2.185 179.879 177.584 0.184 0.000 1.181 18 A CA 1.067 53.197 52.037 0.156 0.000 0.623 18 A CB -0.651 18.456 19.000 0.178 0.000 0.818 18 A HN 0.323 nan 8.150 nan 0.000 0.443 19 I N -0.287 120.397 120.570 0.189 0.000 2.163 19 I HA -0.246 3.925 4.170 0.001 0.000 0.243 19 I C 2.418 178.615 176.117 0.133 0.000 1.085 19 I CA 1.405 62.801 61.300 0.161 0.000 1.347 19 I CB -0.286 37.810 38.000 0.161 0.000 1.044 19 I HN 0.292 nan 8.210 nan 0.000 0.408 20 E N 0.199 120.468 120.200 0.114 0.000 2.204 20 E HA -0.199 4.152 4.350 0.001 0.000 0.195 20 E C 2.183 178.853 176.600 0.116 0.000 0.990 20 E CA 1.315 57.772 56.400 0.094 0.000 0.821 20 E CB -0.173 29.562 29.700 0.059 0.000 0.750 20 E HN 0.543 nan 8.360 nan 0.000 0.477 21 M N -0.024 119.656 119.600 0.134 0.000 2.123 21 M HA -0.057 4.423 4.480 0.001 0.000 0.263 21 M C 2.402 178.842 176.300 0.233 0.000 1.069 21 M CA 0.895 56.300 55.300 0.176 0.000 1.133 21 M CB -0.153 32.551 32.600 0.174 0.000 1.356 21 M HN 0.052 nan 8.290 nan 0.000 0.415 22 L N 0.215 121.571 121.223 0.222 0.000 2.046 22 L HA -0.263 4.078 4.340 0.001 0.000 0.208 22 L C 2.362 179.286 176.870 0.090 0.000 1.077 22 L CA 1.701 56.648 54.840 0.178 0.000 0.747 22 L CB -0.306 41.867 42.059 0.190 0.000 0.896 22 L HN 0.293 nan 8.230 nan 0.000 0.432 23 K N -1.069 119.396 120.400 0.108 0.000 2.020 23 K HA -0.290 4.031 4.320 0.001 0.000 0.212 23 K C 2.190 178.839 176.600 0.082 0.000 1.050 23 K CA 1.888 58.224 56.287 0.082 0.000 0.929 23 K CB -0.370 32.185 32.500 0.091 0.000 0.714 23 K HN 0.437 nan 8.250 nan 0.000 0.443 24 H N 0.349 119.439 119.070 0.034 0.000 2.457 24 H HA -0.088 4.469 4.556 0.001 0.000 0.294 24 H C 0.672 176.013 175.328 0.022 0.000 1.064 24 H CA 1.388 57.453 56.048 0.027 0.000 1.330 24 H CB 0.337 30.119 29.762 0.033 0.000 1.395 24 H HN 0.182 nan 8.280 nan 0.000 0.541 25 D N 0.625 121.029 120.400 0.006 0.000 2.349 25 D HA 0.028 4.669 4.640 0.001 0.000 0.215 25 D C 0.275 176.470 176.300 -0.175 0.000 1.016 25 D CA -0.098 53.872 54.000 -0.050 0.000 0.870 25 D CB 0.025 40.910 40.800 0.143 0.000 0.917 25 D HN 0.159 nan 8.370 nan 0.000 0.524 26 L N 1.810 122.937 121.223 -0.159 0.000 2.418 26 L HA 0.075 4.415 4.340 0.001 0.000 0.274 26 L C 0.814 177.611 176.870 -0.121 0.000 1.135 26 L CA -0.332 54.414 54.840 -0.157 0.000 0.870 26 L CB 0.286 42.299 42.059 -0.077 0.000 1.154 26 L HN -0.099 nan 8.230 nan 0.000 0.462 27 S N 2.814 118.446 115.700 -0.113 0.000 2.585 27 S HA 0.095 4.566 4.470 0.001 0.000 0.273 27 S C 1.313 175.885 174.600 -0.046 0.000 1.339 27 S CA -0.363 57.795 58.200 -0.071 0.000 1.028 27 S CB 1.045 64.214 63.200 -0.051 0.000 0.906 27 S HN 0.466 nan 8.310 nan 0.000 0.528 28 K N 0.950 121.329 120.400 -0.036 0.000 2.147 28 K HA -0.094 4.227 4.320 0.001 0.000 0.205 28 K C 1.710 178.301 176.600 -0.015 0.000 1.049 28 K CA 1.444 57.717 56.287 -0.024 0.000 0.936 28 K CB -1.159 31.329 32.500 -0.020 0.000 0.722 28 K HN 0.835 nan 8.250 nan 0.000 0.446 29 D N 0.959 121.351 120.400 -0.013 0.000 2.203 29 D HA -0.130 4.510 4.640 0.001 0.000 0.199 29 D C 0.366 176.664 176.300 -0.003 0.000 0.997 29 D CA 0.919 54.915 54.000 -0.006 0.000 0.863 29 D CB -0.043 40.755 40.800 -0.002 0.000 0.928 29 D HN 0.397 nan 8.370 nan 0.000 0.458 30 E N 1.363 121.562 120.200 -0.002 0.000 2.384 30 E HA 0.126 4.477 4.350 0.001 0.000 0.266 30 E C -1.999 174.599 176.600 -0.003 0.000 1.012 30 E CA -1.462 54.943 56.400 0.007 0.000 0.901 30 E CB 0.107 29.820 29.700 0.022 0.000 0.967 30 E HN 0.213 nan 8.360 nan 0.000 0.435 31 P HA -0.090 nan 4.420 nan 0.000 0.266 31 P C 0.796 178.088 177.300 -0.015 0.000 1.186 31 P CA 0.208 63.297 63.100 -0.018 0.000 0.767 31 P CB 0.588 32.267 31.700 -0.034 0.000 0.820 32 E N 1.742 121.935 120.200 -0.012 0.000 2.160 32 E HA -0.201 4.149 4.350 0.001 0.000 0.195 32 E C 1.908 178.504 176.600 -0.007 0.000 0.991 32 E CA 1.568 57.964 56.400 -0.007 0.000 0.810 32 E CB -0.362 29.335 29.700 -0.005 0.000 0.742 32 E HN 0.538 nan 8.360 nan 0.000 0.466 33 A N 1.325 124.137 122.820 -0.014 0.000 1.892 33 A HA -0.211 4.109 4.320 0.001 0.000 0.218 33 A C 2.292 179.864 177.584 -0.020 0.000 1.188 33 A CA 1.443 53.472 52.037 -0.013 0.000 0.631 33 A CB -0.695 18.287 19.000 -0.029 0.000 0.822 33 A HN 0.192 nan 8.150 nan 0.000 0.447 34 I N -1.431 119.115 120.570 -0.040 0.000 2.179 34 I HA -0.229 3.942 4.170 0.001 0.000 0.242 34 I C 2.866 178.979 176.117 -0.006 0.000 1.088 34 I CA 1.474 62.746 61.300 -0.047 0.000 1.357 34 I CB -0.373 37.595 38.000 -0.052 0.000 1.051 34 I HN 0.305 nan 8.210 nan 0.000 0.409 35 R N 0.660 121.163 120.500 0.004 0.000 2.120 35 R HA -0.096 4.245 4.340 0.001 0.000 0.234 35 R C 1.903 178.214 176.300 0.018 0.000 1.123 35 R CA 1.492 57.600 56.100 0.014 0.000 0.975 35 R CB -1.079 29.226 30.300 0.008 0.000 0.866 35 R HN 0.525 nan 8.270 nan 0.000 0.446 36 N N 0.023 118.733 118.700 0.017 0.000 2.333 36 N HA -0.053 4.687 4.740 0.001 0.000 0.178 36 N C 1.097 176.634 175.510 0.046 0.000 1.018 36 N CA 1.265 54.327 53.050 0.019 0.000 0.882 36 N CB -0.164 38.330 38.487 0.011 0.000 0.984 36 N HN 0.376 nan 8.380 nan 0.000 0.434 37 D N 1.151 121.597 120.400 0.078 0.000 2.149 37 D HA -0.091 4.550 4.640 0.001 0.000 0.201 37 D C 2.003 178.399 176.300 0.160 0.000 0.972 37 D CA 0.310 54.423 54.000 0.189 0.000 0.835 37 D CB -0.119 40.733 40.800 0.086 0.000 0.966 37 D HN 0.104 nan 8.370 nan 0.000 0.476 38 L N 0.658 121.920 121.223 0.066 0.000 2.131 38 L HA -0.094 4.246 4.340 0.001 0.000 0.210 38 L C 2.181 179.089 176.870 0.063 0.000 1.092 38 L CA 1.446 56.321 54.840 0.058 0.000 0.759 38 L CB -0.710 41.378 42.059 0.047 0.000 0.903 38 L HN -0.164 nan 8.230 nan 0.000 0.435 39 S N -0.818 114.911 115.700 0.050 0.000 2.382 39 S HA -0.090 4.381 4.470 0.001 0.000 0.228 39 S C 1.937 176.546 174.600 0.015 0.000 1.027 39 S CA 1.447 59.663 58.200 0.028 0.000 0.991 39 S CB -0.316 62.889 63.200 0.010 0.000 0.823 39 S HN 0.499 nan 8.310 nan 0.000 0.469 40 I N 0.781 121.361 120.570 0.016 0.000 2.315 40 I HA -0.129 4.042 4.170 0.001 0.000 0.248 40 I C 2.116 178.243 176.117 0.018 0.000 1.117 40 I CA 0.529 61.778 61.300 -0.085 0.000 1.404 40 I CB -0.209 37.580 38.000 -0.350 0.000 1.071 40 I HN 0.267 nan 8.210 nan 0.000 0.419 41 L N 0.825 122.150 121.223 0.171 0.000 2.042 41 L HA -0.244 4.097 4.340 0.001 0.000 0.210 41 L C 2.344 179.235 176.870 0.036 0.000 1.076 41 L CA 1.955 56.853 54.840 0.097 0.000 0.749 41 L CB -0.627 41.424 42.059 -0.014 0.000 0.893 41 L HN 0.223 nan 8.230 nan 0.000 0.432 42 E N -1.218 119.007 120.200 0.042 0.000 2.204 42 E HA -0.210 4.141 4.350 0.001 0.000 0.195 42 E C 2.153 178.787 176.600 0.056 0.000 0.990 42 E CA 1.162 57.596 56.400 0.056 0.000 0.821 42 E CB 0.075 29.804 29.700 0.048 0.000 0.750 42 E HN 0.288 nan 8.360 nan 0.000 0.477 43 K N 0.497 120.917 120.400 0.033 0.000 2.148 43 K HA 0.005 4.325 4.320 0.001 0.000 0.204 43 K C 1.102 177.735 176.600 0.055 0.000 1.050 43 K CA 0.646 56.949 56.287 0.027 0.000 0.942 43 K CB -0.194 32.301 32.500 -0.009 0.000 0.724 43 K HN 0.229 nan 8.250 nan 0.000 0.446 44 N N 0.870 119.614 118.700 0.074 0.000 2.376 44 N HA 0.082 4.823 4.740 0.001 0.000 0.249 44 N C 0.823 176.439 175.510 0.177 0.000 1.140 44 N CA -0.049 53.070 53.050 0.115 0.000 0.870 44 N CB 0.681 39.237 38.487 0.114 0.000 1.124 44 N HN 0.070 nan 8.380 nan 0.000 0.505 45 L N 0.876 122.207 121.223 0.180 0.000 2.017 45 L HA -0.148 4.192 4.340 0.001 0.000 0.208 45 L C 2.239 179.269 176.870 0.266 0.000 1.073 45 L CA 1.921 56.908 54.840 0.246 0.000 0.745 45 L CB -0.763 41.410 42.059 0.190 0.000 0.894 45 L HN 0.398 nan 8.230 nan 0.000 0.432 46 H N -0.633 118.508 119.070 0.118 0.000 2.387 46 H HA -0.155 4.401 4.556 0.001 0.000 0.299 46 H C 1.901 177.296 175.328 0.112 0.000 1.099 46 H CA 1.528 57.628 56.048 0.086 0.000 1.315 46 H CB 0.412 30.200 29.762 0.045 0.000 1.380 46 H HN 0.263 nan 8.280 nan 0.000 0.513 47 K N 0.229 120.677 120.400 0.080 0.000 2.097 47 K HA -0.122 4.199 4.320 0.001 0.000 0.205 47 K C 2.134 178.867 176.600 0.222 0.000 1.050 47 K CA 0.604 56.940 56.287 0.082 0.000 0.938 47 K CB -0.543 32.029 32.500 0.120 0.000 0.718 47 K HN 0.222 nan 8.250 nan 0.000 0.442 48 F N 2.719 122.712 119.950 0.072 0.000 2.102 48 F HA -0.173 4.355 4.527 0.001 0.000 0.298 48 F C 2.225 178.039 175.800 0.022 0.000 1.105 48 F CA 1.529 59.562 58.000 0.055 0.000 1.239 48 F CB -0.351 38.688 39.000 0.065 0.000 0.991 48 F HN 0.064 nan 8.300 nan 0.000 0.474 49 Q N 0.091 119.861 119.800 -0.050 0.000 2.084 49 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 49 Q C 2.441 178.372 176.000 -0.114 0.000 0.978 49 Q CA 1.875 57.594 55.803 -0.139 0.000 0.844 49 Q CB -0.378 28.349 28.738 -0.018 0.000 0.898 49 Q HN 0.460 nan 8.270 nan 0.000 0.426 50 L N -0.244 120.922 121.223 -0.095 0.000 2.017 50 L HA -0.154 4.187 4.340 0.001 0.000 0.208 50 L C 2.374 179.268 176.870 0.039 0.000 1.073 50 L CA 1.270 56.083 54.840 -0.045 0.000 0.745 50 L CB -0.733 41.268 42.059 -0.097 0.000 0.894 50 L HN 0.367 nan 8.230 nan 0.000 0.432 51 G N -0.905 107.886 108.800 -0.016 0.000 2.432 51 G HA2 -0.304 3.656 3.960 0.001 0.000 0.219 51 G HA3 -0.304 3.656 3.960 0.001 0.000 0.219 51 G C 1.746 176.468 174.900 -0.298 0.000 1.135 51 G CA 0.950 45.841 45.100 -0.348 0.000 0.767 51 G HN 0.508 nan 8.290 nan 0.000 0.550 52 S N 0.646 116.191 115.700 -0.258 0.000 2.440 52 S HA -0.134 4.336 4.470 0.001 0.000 0.238 52 S C 2.155 176.705 174.600 -0.083 0.000 1.010 52 S CA 2.176 60.247 58.200 -0.215 0.000 0.972 52 S CB -0.541 62.495 63.200 -0.273 0.000 0.774 52 S HN 0.522 nan 8.310 nan 0.000 0.501 53 T N -2.961 111.564 114.554 -0.048 0.000 2.990 53 T HA 0.268 4.619 4.350 0.001 0.000 0.249 53 T C 1.265 175.971 174.700 0.010 0.000 1.039 53 T CA 0.026 62.147 62.100 0.035 0.000 1.036 53 T CB -0.650 68.292 68.868 0.123 0.000 0.994 53 T HN 0.271 nan 8.240 nan 0.000 0.489 54 F N 4.020 123.867 119.950 -0.171 0.000 2.126 54 F HA 0.108 4.636 4.527 0.001 0.000 0.299 54 F C -1.179 174.534 175.800 -0.144 0.000 1.096 54 F CA 0.562 58.520 58.000 -0.071 0.000 1.255 54 F CB -1.109 37.855 39.000 -0.060 0.000 0.997 54 F HN 0.132 nan 8.300 nan 0.000 0.479 55 P HA -0.159 nan 4.420 nan 0.000 0.217 55 P C 1.005 178.144 177.300 -0.268 0.000 1.148 55 P CA 1.935 64.700 63.100 -0.558 0.000 0.828 55 P CB -0.102 30.965 31.700 -1.055 0.000 0.783 56 D N -2.543 117.624 120.400 -0.388 0.000 2.312 56 D HA -0.101 4.540 4.640 0.001 0.000 0.211 56 D C 0.899 176.803 176.300 -0.659 0.000 0.964 56 D CA 1.116 54.810 54.000 -0.509 0.000 0.877 56 D CB -0.364 40.084 40.800 -0.586 0.000 0.924 56 D HN 0.360 nan 8.370 nan 0.000 0.515 57 Y N -0.285 119.874 120.300 -0.235 0.000 2.500 57 Y HA 0.148 4.699 4.550 0.001 0.000 0.246 57 Y C 0.492 176.183 175.900 -0.347 0.000 1.146 57 Y CA -0.864 57.120 58.100 -0.192 0.000 1.230 57 Y CB 0.467 38.863 38.460 -0.108 0.000 1.214 57 Y HN -0.250 nan 8.280 nan 0.000 0.526 58 D N 2.392 122.491 120.400 -0.502 0.000 2.434 58 D HA 0.003 4.644 4.640 0.001 0.000 0.252 58 D C -1.675 174.517 176.300 -0.180 0.000 1.185 58 D CA -1.513 52.101 54.000 -0.644 0.000 0.886 58 D CB 1.418 41.876 40.800 -0.570 0.000 1.148 58 D HN 0.072 nan 8.370 nan 0.000 0.483 59 P HA -0.129 nan 4.420 nan 0.000 0.218 59 P C 0.144 177.417 177.300 -0.044 0.000 1.146 59 P CA 1.220 64.322 63.100 0.004 0.000 0.820 59 P CB 0.174 31.921 31.700 0.077 0.000 0.778 60 N N -1.277 117.389 118.700 -0.057 0.000 2.322 60 N HA 0.204 4.945 4.740 0.001 0.000 0.194 60 N C 0.358 175.713 175.510 -0.257 0.000 1.126 60 N CA -0.243 52.734 53.050 -0.122 0.000 0.845 60 N CB -0.095 38.355 38.487 -0.062 0.000 0.976 60 N HN 0.076 nan 8.380 nan 0.000 0.475 61 A N 0.460 123.134 122.820 -0.245 0.000 2.507 61 A HA 0.045 4.366 4.320 0.001 0.000 0.235 61 A C -0.470 176.833 177.584 -0.468 0.000 1.070 61 A CA 0.068 51.895 52.037 -0.350 0.000 0.768 61 A CB -0.057 18.725 19.000 -0.363 0.000 1.011 61 A HN 0.223 nan 8.150 nan 0.000 0.502 62 Y N 0.920 121.028 120.300 -0.321 0.000 2.379 62 Y HA 0.152 4.703 4.550 0.001 0.000 0.337 62 Y C 2.050 177.645 175.900 -0.508 0.000 1.238 62 Y CA 0.586 58.497 58.100 -0.315 0.000 1.405 62 Y CB 0.613 38.950 38.460 -0.206 0.000 1.310 62 Y HN 0.818 nan 8.280 nan 0.000 0.569 63 S N 0.636 116.216 115.700 -0.199 0.000 2.419 63 S HA -0.156 4.315 4.470 0.001 0.000 0.235 63 S C 1.137 175.600 174.600 -0.228 0.000 1.019 63 S CA 1.304 59.352 58.200 -0.255 0.000 0.982 63 S CB -0.338 62.748 63.200 -0.189 0.000 0.789 63 S HN 0.694 nan 8.310 nan 0.000 0.490 64 L N -0.619 120.518 121.223 -0.144 0.000 2.769 64 L HA 0.369 4.710 4.340 0.001 0.000 0.240 64 L C -0.375 176.630 176.870 0.225 0.000 1.163 64 L CA -0.430 54.440 54.840 0.049 0.000 0.962 64 L CB -0.386 41.735 42.059 0.103 0.000 1.258 64 L HN 0.136 nan 8.230 nan 0.000 0.513 65 Y N 0.509 120.861 120.300 0.085 0.000 3.396 65 Y HA -0.340 4.210 4.550 0.001 0.000 0.214 65 Y C 2.070 178.172 175.900 0.335 0.000 1.203 65 Y CA 0.853 58.989 58.100 0.061 0.000 1.401 65 Y CB -1.742 36.586 38.460 -0.220 0.000 1.409 65 Y HN 0.507 nan 8.280 nan 0.000 0.594 66 Q N 0.731 120.691 119.800 0.266 0.000 2.224 66 Q HA -0.166 4.175 4.340 0.001 0.000 0.203 66 Q C 1.411 177.560 176.000 0.248 0.000 0.970 66 Q CA 1.728 57.524 55.803 -0.011 0.000 0.865 66 Q CB -0.315 27.984 28.738 -0.732 0.000 0.922 66 Q HN 0.767 nan 8.270 nan 0.000 0.445 67 D N 0.583 121.214 120.400 0.385 0.000 2.371 67 D HA -0.183 4.458 4.640 0.001 0.000 0.221 67 D C 0.803 177.535 176.300 0.721 0.000 0.986 67 D CA 0.497 54.768 54.000 0.452 0.000 0.899 67 D CB -0.573 40.469 40.800 0.403 0.000 0.902 67 D HN 0.544 nan 8.370 nan 0.000 0.530 68 H N -1.087 118.369 119.070 0.644 0.000 2.536 68 H HA 0.170 4.727 4.556 0.001 0.000 0.276 68 H C -0.319 175.188 175.328 0.298 0.000 1.019 68 H CA -0.183 56.175 56.048 0.518 0.000 1.159 68 H CB 0.072 30.039 29.762 0.342 0.000 1.373 68 H HN 0.070 nan 8.280 nan 0.000 0.584 69 F N 0.162 120.400 119.950 0.480 0.000 2.546 69 F HA 0.307 4.835 4.527 0.001 0.000 0.320 69 F C -0.824 175.226 175.800 0.416 0.000 1.076 69 F CA -1.053 57.180 58.000 0.389 0.000 0.928 69 F CB 1.887 41.103 39.000 0.361 0.000 1.189 69 F HN 0.021 nan 8.300 nan 0.000 0.465 70 W N 4.299 125.775 121.300 0.293 0.000 3.473 70 W HA 0.226 4.886 4.660 0.001 0.000 0.324 70 W C -1.773 174.824 176.519 0.130 0.000 1.099 70 W CA -1.078 56.377 57.345 0.183 0.000 1.277 70 W CB 0.856 30.394 29.460 0.130 0.000 1.216 70 W HN 0.383 nan 8.180 nan 0.000 0.423 71 D N 8.086 128.366 120.400 -0.200 0.000 2.336 71 D HA 0.199 4.840 4.640 0.001 0.000 0.249 71 D C -1.133 174.646 176.300 -0.868 0.000 1.213 71 D CA -1.685 52.091 54.000 -0.374 0.000 0.870 71 D CB 2.057 42.767 40.800 -0.149 0.000 1.076 71 D HN 0.165 nan 8.370 nan 0.000 0.483 72 P HA -0.091 nan 4.420 nan 0.000 0.220 72 P C 0.614 177.558 177.300 -0.593 0.000 1.148 72 P CA 0.665 63.003 63.100 -1.270 0.000 0.803 72 P CB 0.635 31.816 31.700 -0.865 0.000 0.782 73 D N -0.404 119.760 120.400 -0.394 0.000 2.183 73 D HA -0.073 4.567 4.640 0.001 0.000 0.203 73 D C 1.892 178.054 176.300 -0.230 0.000 0.969 73 D CA 1.830 55.683 54.000 -0.244 0.000 0.842 73 D CB -0.516 40.174 40.800 -0.184 0.000 0.957 73 D HN 0.316 nan 8.370 nan 0.000 0.484 74 T N -2.885 111.500 114.554 -0.281 0.000 3.040 74 T HA 0.043 4.394 4.350 0.001 0.000 0.250 74 T C 0.664 175.058 174.700 -0.511 0.000 1.058 74 T CA 0.328 62.226 62.100 -0.337 0.000 0.988 74 T CB 0.566 69.287 68.868 -0.246 0.000 0.993 74 T HN -0.188 nan 8.240 nan 0.000 0.519 75 D N 0.930 121.144 120.400 -0.312 0.000 3.059 75 D HA -0.169 4.472 4.640 0.001 0.000 0.220 75 D C -0.385 176.111 176.300 0.327 0.000 1.169 75 D CA 0.995 55.027 54.000 0.054 0.000 0.902 75 D CB -1.869 38.991 40.800 0.100 0.000 1.116 75 D HN 0.848 nan 8.370 nan 0.000 0.417 76 H N -0.538 118.624 119.070 0.155 0.000 2.797 76 H HA 0.422 4.979 4.556 0.001 0.000 0.372 76 H C 0.796 176.240 175.328 0.194 0.000 1.168 76 H CA -0.846 55.304 56.048 0.171 0.000 1.163 76 H CB 1.185 30.988 29.762 0.068 0.000 1.778 76 H HN 0.141 nan 8.280 nan 0.000 0.551 77 N N 1.244 120.109 118.700 0.276 0.000 2.364 77 N HA -0.023 4.718 4.740 0.001 0.000 0.264 77 N C 0.685 176.202 175.510 0.012 0.000 1.263 77 N CA -0.442 52.703 53.050 0.158 0.000 0.959 77 N CB 1.003 39.505 38.487 0.026 0.000 1.204 77 N HN 0.574 nan 8.380 nan 0.000 0.550 78 F N -1.446 118.463 119.950 -0.069 0.000 2.365 78 F HA -0.009 4.519 4.527 0.001 0.000 0.300 78 F C 2.425 178.167 175.800 -0.097 0.000 1.090 78 F CA 0.858 58.765 58.000 -0.154 0.000 1.408 78 F CB -1.278 37.472 39.000 -0.417 0.000 1.060 78 F HN 0.540 nan 8.300 nan 0.000 0.534 79 T N -2.196 112.020 114.554 -0.564 0.000 2.962 79 T HA -0.125 4.226 4.350 0.001 0.000 0.270 79 T C 1.573 176.219 174.700 -0.091 0.000 1.088 79 T CA 1.352 63.316 62.100 -0.227 0.000 1.127 79 T CB -0.507 68.160 68.868 -0.334 0.000 0.883 79 T HN 0.564 nan 8.240 nan 0.000 0.493 80 Q N 0.031 119.757 119.800 -0.123 0.000 2.376 80 Q HA 0.086 4.427 4.340 0.001 0.000 0.206 80 Q C 1.376 177.356 176.000 -0.033 0.000 0.921 80 Q CA 0.758 56.471 55.803 -0.151 0.000 0.911 80 Q CB 0.357 28.871 28.738 -0.373 0.000 1.032 80 Q HN 0.480 nan 8.270 nan 0.000 0.510 81 D N -0.215 120.229 120.400 0.074 0.000 2.525 81 D HA -0.018 4.623 4.640 0.001 0.000 0.248 81 D C 0.244 176.610 176.300 0.110 0.000 1.000 81 D CA 0.411 54.486 54.000 0.124 0.000 0.923 81 D CB 0.131 41.024 40.800 0.155 0.000 1.101 81 D HN -0.012 nan 8.370 nan 0.000 0.493 82 N N 1.668 120.474 118.700 0.177 0.000 2.422 82 N HA -0.006 4.735 4.740 0.001 0.000 0.264 82 N C 1.018 176.611 175.510 0.138 0.000 1.063 82 N CA -0.005 53.173 53.050 0.214 0.000 0.959 82 N CB 1.170 39.920 38.487 0.438 0.000 1.087 82 N HN 0.028 nan 8.380 nan 0.000 0.483 83 K N 2.784 123.151 120.400 -0.055 0.000 2.209 83 K HA -0.092 4.229 4.320 0.001 0.000 0.204 83 K C 1.183 177.635 176.600 -0.247 0.000 1.048 83 K CA 0.921 57.085 56.287 -0.204 0.000 0.940 83 K CB -0.177 32.103 32.500 -0.366 0.000 0.729 83 K HN 0.520 nan 8.250 nan 0.000 0.451 84 W N 0.446 121.694 121.300 -0.087 0.000 2.392 84 W HA -0.112 4.549 4.660 0.001 0.000 0.279 84 W C 0.811 177.149 176.519 -0.301 0.000 1.225 84 W CA 0.219 57.418 57.345 -0.243 0.000 1.233 84 W CB -0.114 29.114 29.460 -0.388 0.000 1.122 84 W HN 0.074 nan 8.180 nan 0.000 0.561 85 Y N -0.732 119.709 120.300 0.235 0.000 2.571 85 Y HA 0.172 4.723 4.550 0.001 0.000 0.275 85 Y C 1.643 177.530 175.900 -0.021 0.000 1.179 85 Y CA -0.325 57.896 58.100 0.201 0.000 1.242 85 Y CB -0.681 37.996 38.460 0.361 0.000 1.126 85 Y HN -0.163 nan 8.280 nan 0.000 0.524 86 L N -0.336 120.889 121.223 0.003 0.000 2.131 86 L HA -0.177 4.164 4.340 0.001 0.000 0.210 86 L C 2.066 178.831 176.870 -0.175 0.000 1.092 86 L CA 1.592 56.384 54.840 -0.080 0.000 0.759 86 L CB -0.387 41.611 42.059 -0.102 0.000 0.903 86 L HN 0.099 nan 8.230 nan 0.000 0.435 87 S N -1.432 114.059 115.700 -0.348 0.000 2.507 87 S HA -0.088 4.383 4.470 0.001 0.000 0.235 87 S C 0.616 174.936 174.600 -0.467 0.000 0.988 87 S CA 0.567 58.491 58.200 -0.460 0.000 0.944 87 S CB -0.353 62.477 63.200 -0.616 0.000 0.762 87 S HN 0.438 nan 8.310 nan 0.000 0.526 88 Y N 1.262 121.561 120.300 -0.002 0.000 2.708 88 Y HA 0.591 5.141 4.550 0.001 0.000 0.287 88 Y C 0.846 176.646 175.900 -0.168 0.000 1.145 88 Y CA -1.802 56.258 58.100 -0.067 0.000 1.249 88 Y CB -1.033 37.412 38.460 -0.026 0.000 1.152 88 Y HN 0.116 nan 8.280 nan 0.000 0.532 89 A N 0.945 123.721 122.820 -0.073 0.000 2.546 89 A HA 0.403 4.724 4.320 0.001 0.000 0.243 89 A C -0.129 177.350 177.584 -0.174 0.000 1.063 89 A CA 0.215 52.172 52.037 -0.133 0.000 0.757 89 A CB 0.138 19.070 19.000 -0.114 0.000 0.991 89 A HN 0.257 nan 8.150 nan 0.000 0.503 90 V N 5.251 125.022 119.914 -0.238 0.000 2.891 90 V HA 0.502 4.623 4.120 0.001 0.000 0.304 90 V C -2.022 173.957 176.094 -0.193 0.000 1.171 90 V CA -1.239 60.908 62.300 -0.254 0.000 0.943 90 V CB 2.521 34.049 31.823 -0.492 0.000 1.037 90 V HN 0.739 nan 8.190 nan 0.000 0.427 91 P HA 0.007 nan 4.420 nan 0.000 0.221 91 P C 0.121 177.390 177.300 -0.050 0.000 1.150 91 P CA 0.566 63.624 63.100 -0.070 0.000 0.800 91 P CB 0.021 31.698 31.700 -0.039 0.000 0.787 92 D N 1.202 121.558 120.400 -0.074 0.000 2.425 92 D HA 0.174 4.815 4.640 0.001 0.000 0.247 92 D C 0.571 176.860 176.300 -0.018 0.000 1.147 92 D CA 0.323 54.288 54.000 -0.058 0.000 0.879 92 D CB 0.046 40.822 40.800 -0.040 0.000 1.179 92 D HN 0.295 nan 8.370 nan 0.000 0.456 93 N N -0.042 118.636 118.700 -0.036 0.000 2.831 93 N HA 0.521 5.261 4.740 0.001 0.000 0.276 93 N C 0.219 175.700 175.510 -0.048 0.000 1.416 93 N CA -0.994 52.084 53.050 0.047 0.000 0.799 93 N CB 0.634 39.212 38.487 0.152 0.000 1.554 93 N HN 0.184 nan 8.380 nan 0.000 0.541 94 A N -0.738 122.150 122.820 0.114 0.000 1.978 94 A HA -0.207 4.114 4.320 0.001 0.000 0.220 94 A C 1.770 179.287 177.584 -0.111 0.000 1.170 94 A CA 1.618 53.741 52.037 0.144 0.000 0.636 94 A CB -0.883 18.292 19.000 0.293 0.000 0.810 94 A HN 0.779 nan 8.150 nan 0.000 0.448 95 E N 0.651 120.559 120.200 -0.488 0.000 2.046 95 E HA -0.142 4.209 4.350 0.001 0.000 0.190 95 E C 2.314 178.680 176.600 -0.389 0.000 0.982 95 E CA 1.679 57.647 56.400 -0.720 0.000 0.800 95 E CB -0.266 28.319 29.700 -1.857 0.000 0.756 95 E HN 0.656 nan 8.360 nan 0.000 0.449 96 S N 0.035 115.523 115.700 -0.354 0.000 2.428 96 S HA -0.065 4.406 4.470 0.001 0.000 0.230 96 S C 1.839 176.317 174.600 -0.202 0.000 1.014 96 S CA 0.535 58.607 58.200 -0.213 0.000 0.957 96 S CB -0.030 63.067 63.200 -0.172 0.000 0.784 96 S HN 0.170 nan 8.310 nan 0.000 0.499 97 Q N 0.861 120.487 119.800 -0.289 0.000 2.212 97 Q HA 0.024 4.364 4.340 0.001 0.000 0.199 97 Q C 2.162 178.096 176.000 -0.109 0.000 0.950 97 Q CA 1.428 56.989 55.803 -0.404 0.000 0.863 97 Q CB -0.857 27.238 28.738 -1.071 0.000 0.944 97 Q HN 0.608 nan 8.270 nan 0.000 0.465 98 T N 2.127 116.681 114.554 0.001 0.000 2.684 98 T HA -0.184 4.167 4.350 0.001 0.000 0.267 98 T C 1.845 176.669 174.700 0.207 0.000 1.036 98 T CA 1.827 64.020 62.100 0.155 0.000 1.148 98 T CB -0.158 68.809 68.868 0.164 0.000 0.863 98 T HN 0.442 nan 8.240 nan 0.000 0.436 99 R N 1.287 121.905 120.500 0.197 0.000 2.115 99 R HA 0.108 4.449 4.340 0.001 0.000 0.226 99 R C 2.352 178.762 176.300 0.182 0.000 1.100 99 R CA 1.154 57.459 56.100 0.341 0.000 0.980 99 R CB -0.307 30.177 30.300 0.306 0.000 0.875 99 R HN 0.264 nan 8.270 nan 0.000 0.445 100 K N 0.519 120.910 120.400 -0.015 0.000 2.032 100 K HA -0.133 4.188 4.320 0.001 0.000 0.209 100 K C 1.586 178.041 176.600 -0.242 0.000 1.048 100 K CA 1.574 57.739 56.287 -0.203 0.000 0.927 100 K CB -0.116 32.139 32.500 -0.409 0.000 0.712 100 K HN 0.124 nan 8.250 nan 0.000 0.441 101 F N 0.512 120.433 119.950 -0.049 0.000 2.293 101 F HA 0.032 4.560 4.527 0.001 0.000 0.297 101 F C 2.336 178.146 175.800 0.017 0.000 1.089 101 F CA 0.890 58.855 58.000 -0.058 0.000 1.377 101 F CB -0.454 38.547 39.000 0.001 0.000 1.051 101 F HN 0.115 nan 8.300 nan 0.000 0.511 102 A N -0.608 122.374 122.820 0.270 0.000 1.898 102 A HA -0.158 4.163 4.320 0.001 0.000 0.216 102 A C 2.275 179.987 177.584 0.213 0.000 1.181 102 A CA 2.260 54.475 52.037 0.298 0.000 0.620 102 A CB -1.263 18.065 19.000 0.548 0.000 0.819 102 A HN 0.303 nan 8.150 nan 0.000 0.442 103 T N 0.449 115.047 114.554 0.073 0.000 2.708 103 T HA -0.086 4.265 4.350 0.001 0.000 0.266 103 T C 1.796 176.475 174.700 -0.035 0.000 1.037 103 T CA 1.468 63.538 62.100 -0.050 0.000 1.146 103 T CB -0.399 68.429 68.868 -0.067 0.000 0.865 103 T HN 0.353 nan 8.240 nan 0.000 0.435 104 L N 0.596 121.759 121.223 -0.100 0.000 2.127 104 L HA -0.122 4.218 4.340 0.001 0.000 0.211 104 L C 2.884 179.783 176.870 0.047 0.000 1.089 104 L CA 1.180 55.894 54.840 -0.211 0.000 0.757 104 L CB -0.512 41.147 42.059 -0.666 0.000 0.899 104 L HN 0.251 nan 8.230 nan 0.000 0.434 105 A N -0.404 122.560 122.820 0.240 0.000 1.930 105 A HA -0.147 4.174 4.320 0.001 0.000 0.215 105 A C 2.304 180.217 177.584 0.549 0.000 1.176 105 A CA 1.114 53.438 52.037 0.478 0.000 0.632 105 A CB -0.184 19.057 19.000 0.402 0.000 0.819 105 A HN 0.263 nan 8.150 nan 0.000 0.445 106 K N -0.038 120.613 120.400 0.417 0.000 1.985 106 K HA -0.182 4.139 4.320 0.001 0.000 0.210 106 K C 2.086 178.789 176.600 0.172 0.000 1.047 106 K CA 1.393 57.780 56.287 0.167 0.000 0.932 106 K CB -0.359 32.091 32.500 -0.084 0.000 0.716 106 K HN 0.567 nan 8.250 nan 0.000 0.439 107 N N 0.896 119.656 118.700 0.100 0.000 2.132 107 N HA -0.229 4.512 4.740 0.001 0.000 0.191 107 N C 1.446 177.028 175.510 0.121 0.000 1.015 107 N CA 1.369 54.460 53.050 0.069 0.000 0.864 107 N CB 0.148 38.642 38.487 0.012 0.000 1.006 107 N HN 0.201 nan 8.380 nan 0.000 0.430 108 E N -0.025 120.302 120.200 0.213 0.000 2.072 108 E HA -0.144 4.207 4.350 0.001 0.000 0.190 108 E C 1.672 178.360 176.600 0.148 0.000 0.982 108 E CA 0.300 56.816 56.400 0.193 0.000 0.803 108 E CB -0.649 29.231 29.700 0.300 0.000 0.755 108 E HN 0.540 nan 8.360 nan 0.000 0.453 109 W N 2.228 123.587 121.300 0.098 0.000 2.338 109 W HA -0.208 4.453 4.660 0.001 0.000 0.304 109 W C 1.012 177.524 176.519 -0.011 0.000 1.212 109 W CA 1.789 59.188 57.345 0.090 0.000 1.264 109 W CB -0.142 29.409 29.460 0.152 0.000 1.142 109 W HN 0.084 nan 8.180 nan 0.000 0.512 110 D N -0.173 120.357 120.400 0.216 0.000 2.149 110 D HA -0.207 4.434 4.640 0.001 0.000 0.198 110 D C 1.969 178.272 176.300 0.006 0.000 0.990 110 D CA 2.026 56.087 54.000 0.103 0.000 0.839 110 D CB -0.278 40.552 40.800 0.050 0.000 0.948 110 D HN 0.320 nan 8.370 nan 0.000 0.460 111 K N -1.110 119.263 120.400 -0.044 0.000 2.397 111 K HA 0.314 4.635 4.320 0.001 0.000 0.202 111 K C 1.021 177.486 176.600 -0.224 0.000 1.022 111 K CA 0.502 56.730 56.287 -0.099 0.000 1.141 111 K CB 0.649 33.111 32.500 -0.062 0.000 0.857 111 K HN 0.080 nan 8.250 nan 0.000 0.514 112 G N 1.959 110.508 108.800 -0.417 0.000 2.159 112 G HA2 -0.267 3.694 3.960 0.001 0.000 0.256 112 G HA3 -0.267 3.694 3.960 0.001 0.000 0.256 112 G C -0.372 173.999 174.900 -0.882 0.000 0.977 112 G CA 0.015 44.621 45.100 -0.824 0.000 0.652 112 G HN 0.442 nan 8.290 nan 0.000 0.531 113 N N 0.579 118.969 118.700 -0.518 0.000 2.807 113 N HA 0.363 5.103 4.740 0.001 0.000 0.259 113 N C 1.071 176.406 175.510 -0.292 0.000 1.149 113 N CA -0.465 52.386 53.050 -0.332 0.000 1.042 113 N CB -0.121 38.280 38.487 -0.142 0.000 1.367 113 N HN 0.292 nan 8.380 nan 0.000 0.516 114 Y N 0.597 120.774 120.300 -0.205 0.000 2.395 114 Y HA 0.014 4.565 4.550 0.001 0.000 0.293 114 Y C 2.175 178.027 175.900 -0.080 0.000 1.123 114 Y CA 0.518 58.447 58.100 -0.284 0.000 1.227 114 Y CB 0.038 38.230 38.460 -0.447 0.000 1.012 114 Y HN 0.516 nan 8.280 nan 0.000 0.552 115 E N 0.659 120.898 120.200 0.066 0.000 2.028 115 E HA -0.233 4.118 4.350 0.001 0.000 0.190 115 E C 2.083 178.724 176.600 0.067 0.000 0.984 115 E CA 1.112 57.545 56.400 0.055 0.000 0.800 115 E CB 0.022 29.716 29.700 -0.010 0.000 0.758 115 E HN 0.285 nan 8.360 nan 0.000 0.448 116 K N 0.240 120.648 120.400 0.014 0.000 2.147 116 K HA -0.107 4.214 4.320 0.001 0.000 0.205 116 K C 1.832 178.527 176.600 0.158 0.000 1.049 116 K CA 1.169 57.456 56.287 -0.001 0.000 0.936 116 K CB -0.138 32.317 32.500 -0.076 0.000 0.722 116 K HN 0.152 nan 8.250 nan 0.000 0.446 117 A N 0.682 123.662 122.820 0.265 0.000 1.902 117 A HA -0.086 4.235 4.320 0.001 0.000 0.217 117 A C 2.328 180.165 177.584 0.421 0.000 1.181 117 A CA 1.820 54.130 52.037 0.455 0.000 0.623 117 A CB -0.897 18.467 19.000 0.605 0.000 0.818 117 A HN 0.440 nan 8.150 nan 0.000 0.443 118 A N -1.849 121.180 122.820 0.349 0.000 1.930 118 A HA -0.122 4.199 4.320 0.001 0.000 0.217 118 A C 1.954 179.762 177.584 0.373 0.000 1.175 118 A CA 1.511 53.731 52.037 0.304 0.000 0.627 118 A CB -0.753 18.402 19.000 0.258 0.000 0.815 118 A HN 0.820 nan 8.150 nan 0.000 0.443 119 W N -0.505 120.844 121.300 0.081 0.000 2.407 119 W HA -0.122 4.539 4.660 0.001 0.000 0.305 119 W C 1.890 178.422 176.519 0.022 0.000 1.196 119 W CA 1.692 59.019 57.345 -0.030 0.000 1.311 119 W CB -0.543 28.791 29.460 -0.211 0.000 1.135 119 W HN 0.399 nan 8.180 nan 0.000 0.514 120 Y N 0.119 120.485 120.300 0.110 0.000 2.145 120 Y HA -0.223 4.328 4.550 0.001 0.000 0.286 120 Y C 2.422 178.308 175.900 -0.023 0.000 1.145 120 Y CA 1.653 59.762 58.100 0.014 0.000 1.148 120 Y CB -1.621 37.001 38.460 0.270 0.000 0.981 120 Y HN -0.051 nan 8.280 nan 0.000 0.507 121 L N -0.175 121.188 121.223 0.233 0.000 2.083 121 L HA -0.086 4.255 4.340 0.001 0.000 0.209 121 L C 2.445 179.414 176.870 0.165 0.000 1.083 121 L CA 2.128 57.030 54.840 0.104 0.000 0.752 121 L CB -1.109 40.878 42.059 -0.119 0.000 0.899 121 L HN 0.205 nan 8.230 nan 0.000 0.433 122 G N -1.711 107.215 108.800 0.210 0.000 2.422 122 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 122 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 122 G C 1.477 176.219 174.900 -0.263 0.000 1.146 122 G CA 0.680 45.703 45.100 -0.129 0.000 0.769 122 G HN 0.507 nan 8.290 nan 0.000 0.547 123 Q N -0.122 119.434 119.800 -0.406 0.000 2.079 123 Q HA -0.022 4.318 4.340 0.001 0.000 0.200 123 Q C 2.873 178.671 176.000 -0.337 0.000 0.974 123 Q CA 1.030 56.440 55.803 -0.655 0.000 0.840 123 Q CB -0.350 27.553 28.738 -1.393 0.000 0.898 123 Q HN 0.460 nan 8.270 nan 0.000 0.430 124 G N 0.489 109.221 108.800 -0.112 0.000 2.422 124 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 124 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 124 G C 1.311 176.262 174.900 0.084 0.000 1.146 124 G CA 0.590 45.788 45.100 0.163 0.000 0.769 124 G HN 0.170 nan 8.290 nan 0.000 0.547 125 M N -0.069 119.525 119.600 -0.011 0.000 2.492 125 M HA 0.122 4.602 4.480 0.001 0.000 0.262 125 M C 1.846 178.183 176.300 0.061 0.000 1.090 125 M CA 0.538 55.843 55.300 0.008 0.000 1.110 125 M CB -0.903 31.678 32.600 -0.032 0.000 1.407 125 M HN 0.495 nan 8.290 nan 0.000 0.470 126 H N 0.009 118.990 119.070 -0.148 0.000 2.276 126 H HA -0.173 4.384 4.556 0.001 0.000 0.301 126 H C 1.628 176.821 175.328 -0.224 0.000 1.073 126 H CA 2.276 58.137 56.048 -0.313 0.000 1.311 126 H CB -0.165 29.202 29.762 -0.659 0.000 1.379 126 H HN 0.224 nan 8.280 nan 0.000 0.494 127 Y N -0.925 119.379 120.300 0.007 0.000 2.256 127 Y HA -0.204 4.347 4.550 0.001 0.000 0.288 127 Y C 2.376 178.276 175.900 0.001 0.000 1.155 127 Y CA 1.410 59.498 58.100 -0.019 0.000 1.203 127 Y CB -0.615 37.863 38.460 0.029 0.000 0.980 127 Y HN 0.306 nan 8.280 nan 0.000 0.530 128 F N 0.155 120.141 119.950 0.059 0.000 2.186 128 F HA -0.043 4.485 4.527 0.001 0.000 0.299 128 F C 2.308 178.125 175.800 0.028 0.000 1.090 128 F CA 1.452 59.469 58.000 0.029 0.000 1.307 128 F CB -0.603 38.369 39.000 -0.047 0.000 1.019 128 F HN -0.026 nan 8.300 nan 0.000 0.489 129 G N -0.487 108.383 108.800 0.118 0.000 2.408 129 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 129 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 129 G C 1.296 176.158 174.900 -0.065 0.000 1.150 129 G CA 1.003 46.177 45.100 0.124 0.000 0.776 129 G HN 0.286 nan 8.290 nan 0.000 0.542 130 D N 0.470 120.738 120.400 -0.220 0.000 2.183 130 D HA -0.069 4.572 4.640 0.001 0.000 0.203 130 D C 2.568 178.650 176.300 -0.363 0.000 0.969 130 D CA 0.724 54.420 54.000 -0.506 0.000 0.842 130 D CB -0.182 40.374 40.800 -0.406 0.000 0.957 130 D HN 0.422 nan 8.370 nan 0.000 0.484 131 L N -1.240 119.887 121.223 -0.160 0.000 2.465 131 L HA 0.128 4.469 4.340 0.001 0.000 0.224 131 L C 1.024 177.816 176.870 -0.129 0.000 1.145 131 L CA 1.262 56.078 54.840 -0.039 0.000 0.834 131 L CB -0.730 41.412 42.059 0.138 0.000 0.944 131 L HN -0.201 nan 8.230 nan 0.000 0.451 132 N N -0.953 117.615 118.700 -0.220 0.000 2.353 132 N HA 0.028 4.769 4.740 0.001 0.000 0.185 132 N C -0.214 175.249 175.510 -0.079 0.000 1.098 132 N CA 0.316 53.308 53.050 -0.096 0.000 0.872 132 N CB 0.200 38.654 38.487 -0.054 0.000 0.970 132 N HN 0.286 nan 8.380 nan 0.000 0.467 133 T N 2.010 116.255 114.554 -0.514 0.000 2.727 133 T HA 0.106 4.457 4.350 0.001 0.000 0.295 133 T C -1.706 172.689 174.700 -0.507 0.000 0.915 133 T CA -1.356 60.117 62.100 -1.045 0.000 1.066 133 T CB 1.460 69.286 68.868 -1.737 0.000 0.891 133 T HN -0.019 nan 8.240 nan 0.000 0.516 134 P HA -0.192 nan 4.420 nan 0.000 0.217 134 P C 0.930 178.022 177.300 -0.347 0.000 1.158 134 P CA 1.426 64.358 63.100 -0.279 0.000 0.887 134 P CB -0.007 31.477 31.700 -0.359 0.000 0.792 135 Y N -1.828 118.158 120.300 -0.523 0.000 2.293 135 Y HA -0.173 4.378 4.550 0.001 0.000 0.291 135 Y C 2.695 178.398 175.900 -0.329 0.000 1.137 135 Y CA 1.403 59.165 58.100 -0.563 0.000 1.202 135 Y CB -0.971 37.069 38.460 -0.700 0.000 0.990 135 Y HN 0.241 nan 8.280 nan 0.000 0.537 136 H N -1.939 116.943 119.070 -0.312 0.000 2.428 136 H HA 0.032 4.589 4.556 0.001 0.000 0.296 136 H C 2.055 177.362 175.328 -0.035 0.000 1.062 136 H CA 0.748 56.641 56.048 -0.259 0.000 1.350 136 H CB 0.135 29.554 29.762 -0.572 0.000 1.403 136 H HN 0.319 nan 8.280 nan 0.000 0.533 137 A N 0.634 123.449 122.820 -0.009 0.000 2.208 137 A HA 0.259 4.580 4.320 0.001 0.000 0.209 137 A C 2.091 179.634 177.584 -0.068 0.000 1.161 137 A CA 0.784 52.810 52.037 -0.018 0.000 0.782 137 A CB -0.038 18.928 19.000 -0.056 0.000 0.816 137 A HN 0.375 nan 8.150 nan 0.000 0.477 138 A N -1.004 121.725 122.820 -0.152 0.000 2.390 138 A HA 0.344 4.665 4.320 0.001 0.000 0.232 138 A C 0.640 178.145 177.584 -0.132 0.000 1.233 138 A CA 0.315 52.224 52.037 -0.214 0.000 0.907 138 A CB -0.602 17.972 19.000 -0.710 0.000 0.967 138 A HN 0.557 nan 8.150 nan 0.000 0.512 139 N N -1.063 117.660 118.700 0.038 0.000 2.747 139 N HA -0.135 4.606 4.740 0.001 0.000 0.249 139 N C -0.752 174.700 175.510 -0.098 0.000 1.107 139 N CA 0.436 53.554 53.050 0.114 0.000 0.707 139 N CB -0.981 37.590 38.487 0.141 0.000 1.054 139 N HN 0.206 nan 8.380 nan 0.000 0.555 140 V N 1.273 121.105 119.914 -0.138 0.000 2.333 140 V HA 0.302 4.423 4.120 0.001 0.000 0.274 140 V C 0.994 177.127 176.094 0.065 0.000 1.028 140 V CA -0.325 61.899 62.300 -0.127 0.000 0.851 140 V CB 1.222 32.895 31.823 -0.250 0.000 1.000 140 V HN 0.258 nan 8.190 nan 0.000 0.456 141 T N 2.300 116.697 114.554 -0.262 0.000 2.847 141 T HA 0.569 4.919 4.350 0.001 0.000 0.279 141 T C 1.397 175.982 174.700 -0.191 0.000 0.984 141 T CA 0.057 61.926 62.100 -0.386 0.000 0.988 141 T CB 1.754 69.983 68.868 -1.065 0.000 1.040 141 T HN 0.646 nan 8.240 nan 0.000 0.528 142 A N 0.643 123.167 122.820 -0.493 0.000 1.972 142 A HA 0.037 4.357 4.320 0.001 0.000 0.219 142 A C 2.340 179.828 177.584 -0.159 0.000 1.169 142 A CA 1.513 53.325 52.037 -0.375 0.000 0.635 142 A CB -1.255 17.468 19.000 -0.462 0.000 0.810 142 A HN 0.737 nan 8.150 nan 0.000 0.446 143 V N 0.754 120.575 119.914 -0.154 0.000 2.343 143 V HA -0.237 3.884 4.120 0.001 0.000 0.247 143 V C 1.890 177.976 176.094 -0.014 0.000 1.051 143 V CA 2.241 64.507 62.300 -0.055 0.000 1.036 143 V CB -0.730 31.098 31.823 0.008 0.000 0.654 143 V HN 0.513 nan 8.190 nan 0.000 0.451 144 D N -0.487 119.908 120.400 -0.008 0.000 2.312 144 D HA 0.047 4.688 4.640 0.001 0.000 0.211 144 D C 0.946 177.290 176.300 0.074 0.000 0.964 144 D CA 0.896 54.920 54.000 0.041 0.000 0.877 144 D CB 0.346 41.176 40.800 0.050 0.000 0.924 144 D HN 0.437 nan 8.370 nan 0.000 0.515 145 S N -0.594 115.154 115.700 0.082 0.000 2.582 145 S HA 0.228 4.699 4.470 0.001 0.000 0.287 145 S C -2.416 172.255 174.600 0.118 0.000 1.146 145 S CA -0.994 57.296 58.200 0.150 0.000 0.941 145 S CB 1.929 65.307 63.200 0.296 0.000 1.115 145 S HN -0.268 nan 8.310 nan 0.000 0.458 146 P HA 0.147 nan 4.420 nan 0.000 0.233 146 P C 1.399 178.792 177.300 0.156 0.000 1.167 146 P CA 0.698 63.862 63.100 0.106 0.000 0.770 146 P CB -0.245 31.517 31.700 0.102 0.000 0.837 147 G N -0.628 108.311 108.800 0.232 0.000 2.471 147 G HA2 -0.248 3.713 3.960 0.001 0.000 0.219 147 G HA3 -0.248 3.713 3.960 0.001 0.000 0.219 147 G C 1.470 176.281 174.900 -0.149 0.000 1.125 147 G CA 0.684 45.983 45.100 0.331 0.000 0.775 147 G HN 0.359 nan 8.290 nan 0.000 0.548 148 H N 0.287 119.015 119.070 -0.570 0.000 2.270 148 H HA -0.119 4.438 4.556 0.001 0.000 0.299 148 H C 2.771 177.874 175.328 -0.376 0.000 1.077 148 H CA 2.289 57.752 56.048 -0.975 0.000 1.294 148 H CB 0.088 29.533 29.762 -0.529 0.000 1.371 148 H HN 0.170 nan 8.280 nan 0.000 0.491 149 V N -0.701 119.256 119.914 0.071 0.000 2.427 149 V HA -0.154 3.967 4.120 0.001 0.000 0.248 149 V C 2.100 178.262 176.094 0.113 0.000 1.051 149 V CA 1.832 64.186 62.300 0.090 0.000 1.048 149 V CB -0.559 31.284 31.823 0.033 0.000 0.666 149 V HN 0.318 nan 8.190 nan 0.000 0.456 150 K N -0.324 120.173 120.400 0.161 0.000 2.063 150 K HA -0.140 4.181 4.320 0.001 0.000 0.208 150 K C 2.024 178.822 176.600 0.330 0.000 1.048 150 K CA 2.153 58.608 56.287 0.280 0.000 0.928 150 K CB -0.418 32.332 32.500 0.416 0.000 0.713 150 K HN 0.595 nan 8.250 nan 0.000 0.442 151 F N 2.353 122.274 119.950 -0.049 0.000 2.084 151 F HA -0.141 4.387 4.527 0.001 0.000 0.296 151 F C 2.017 177.806 175.800 -0.018 0.000 1.111 151 F CA 1.472 59.257 58.000 -0.358 0.000 1.224 151 F CB -0.041 38.504 39.000 -0.759 0.000 0.991 151 F HN 0.006 nan 8.300 nan 0.000 0.471 152 E N -0.532 119.708 120.200 0.067 0.000 2.160 152 E HA -0.191 4.160 4.350 0.001 0.000 0.195 152 E C 2.081 178.706 176.600 0.042 0.000 0.991 152 E CA 1.733 58.181 56.400 0.080 0.000 0.810 152 E CB -0.321 29.455 29.700 0.128 0.000 0.742 152 E HN 0.410 nan 8.360 nan 0.000 0.466 153 T N 0.340 114.932 114.554 0.063 0.000 2.777 153 T HA -0.184 4.167 4.350 0.001 0.000 0.266 153 T C 1.556 176.272 174.700 0.027 0.000 1.040 153 T CA 1.191 63.322 62.100 0.052 0.000 1.141 153 T CB -0.368 68.550 68.868 0.083 0.000 0.868 153 T HN 0.304 nan 8.240 nan 0.000 0.444 154 Y N 2.168 122.433 120.300 -0.059 0.000 2.145 154 Y HA -0.034 4.517 4.550 0.001 0.000 0.286 154 Y C 2.500 178.321 175.900 -0.131 0.000 1.145 154 Y CA 1.049 59.104 58.100 -0.075 0.000 1.148 154 Y CB -0.746 37.725 38.460 0.018 0.000 0.981 154 Y HN 0.161 nan 8.280 nan 0.000 0.507 155 A N 0.155 122.821 122.820 -0.257 0.000 1.902 155 A HA -0.227 4.093 4.320 0.001 0.000 0.217 155 A C 2.102 179.536 177.584 -0.250 0.000 1.181 155 A CA 1.895 53.783 52.037 -0.248 0.000 0.623 155 A CB -0.927 17.968 19.000 -0.174 0.000 0.818 155 A HN 0.567 nan 8.150 nan 0.000 0.443 156 E N 0.593 120.689 120.200 -0.173 0.000 2.097 156 E HA -0.221 4.130 4.350 0.001 0.000 0.196 156 E C 1.781 178.252 176.600 -0.215 0.000 1.000 156 E CA 2.080 58.386 56.400 -0.157 0.000 0.804 156 E CB -0.359 29.301 29.700 -0.067 0.000 0.740 156 E HN 0.731 nan 8.360 nan 0.000 0.454 157 E N -0.679 119.374 120.200 -0.245 0.000 2.274 157 E HA -0.045 4.306 4.350 0.001 0.000 0.194 157 E C 1.680 178.065 176.600 -0.359 0.000 0.996 157 E CA 0.554 56.801 56.400 -0.254 0.000 0.840 157 E CB 0.058 29.631 29.700 -0.212 0.000 0.772 157 E HN 0.118 nan 8.360 nan 0.000 0.491 158 R N 0.546 120.731 120.500 -0.525 0.000 2.432 158 R HA 0.064 4.405 4.340 0.001 0.000 0.260 158 R C 1.737 177.437 176.300 -1.001 0.000 0.935 158 R CA -0.038 55.630 56.100 -0.720 0.000 1.080 158 R CB 0.323 30.120 30.300 -0.837 0.000 1.155 158 R HN 0.065 nan 8.270 nan 0.000 0.531 159 K N 0.348 120.349 120.400 -0.665 0.000 2.160 159 K HA -0.161 4.159 4.320 0.001 0.000 0.206 159 K C 0.613 176.927 176.600 -0.477 0.000 1.047 159 K CA 1.693 57.651 56.287 -0.549 0.000 0.930 159 K CB -0.013 32.293 32.500 -0.323 0.000 0.720 159 K HN 0.009 nan 8.250 nan 0.000 0.450 160 D N 1.366 121.527 120.400 -0.398 0.000 2.219 160 D HA -0.110 4.531 4.640 0.001 0.000 0.205 160 D C 1.969 178.099 176.300 -0.283 0.000 0.970 160 D CA 1.929 55.764 54.000 -0.276 0.000 0.851 160 D CB -0.170 40.505 40.800 -0.208 0.000 0.943 160 D HN 0.580 nan 8.370 nan 0.000 0.488 161 T N -1.632 112.666 114.554 -0.427 0.000 3.035 161 T HA -0.146 4.204 4.350 0.001 0.000 0.268 161 T C 1.502 176.114 174.700 -0.147 0.000 1.109 161 T CA 0.589 62.500 62.100 -0.314 0.000 1.119 161 T CB -0.355 68.302 68.868 -0.352 0.000 0.900 161 T HN 0.071 nan 8.240 nan 0.000 0.503 162 Y N 1.203 121.396 120.300 -0.177 0.000 2.457 162 Y HA 0.451 5.002 4.550 0.001 0.000 0.263 162 Y C 1.193 176.985 175.900 -0.181 0.000 1.164 162 Y CA -1.684 56.298 58.100 -0.196 0.000 1.274 162 Y CB -0.562 37.741 38.460 -0.261 0.000 1.097 162 Y HN 0.115 nan 8.280 nan 0.000 0.523 163 R N 1.301 121.776 120.500 -0.042 0.000 2.502 163 R HA 0.195 4.536 4.340 0.001 0.000 0.292 163 R C -0.643 175.624 176.300 -0.055 0.000 0.998 163 R CA 0.193 56.256 56.100 -0.062 0.000 1.056 163 R CB 0.184 30.438 30.300 -0.077 0.000 0.939 163 R HN 0.146 nan 8.270 nan 0.000 0.411 164 L N 2.624 123.814 121.223 -0.056 0.000 2.331 164 L HA 0.240 4.580 4.340 0.001 0.000 0.275 164 L C 0.363 177.199 176.870 -0.055 0.000 1.022 164 L CA -0.542 54.263 54.840 -0.059 0.000 0.812 164 L CB 1.835 43.859 42.059 -0.057 0.000 1.257 164 L HN 0.601 nan 8.230 nan 0.000 0.435 165 D N -0.286 120.063 120.400 -0.085 0.000 2.379 165 D HA 0.093 4.734 4.640 0.001 0.000 0.208 165 D C 0.429 176.650 176.300 -0.132 0.000 1.065 165 D CA 0.523 54.445 54.000 -0.129 0.000 0.848 165 D CB 0.960 41.635 40.800 -0.207 0.000 0.949 165 D HN 0.473 nan 8.370 nan 0.000 0.509 166 T N -1.294 113.232 114.554 -0.046 0.000 2.893 166 T HA 0.147 4.498 4.350 0.001 0.000 0.337 166 T C 0.660 175.381 174.700 0.035 0.000 1.587 166 T CA -0.215 61.923 62.100 0.064 0.000 1.066 166 T CB 1.196 70.122 68.868 0.096 0.000 1.414 166 T HN -0.077 nan 8.240 nan 0.000 0.488 167 T N 0.269 114.876 114.554 0.088 0.000 3.072 167 T HA 0.311 4.662 4.350 0.001 0.000 0.266 167 T C 1.772 176.331 174.700 -0.236 0.000 1.127 167 T CA 1.359 63.429 62.100 -0.049 0.000 1.107 167 T CB -0.456 68.379 68.868 -0.056 0.000 0.910 167 T HN 1.965 nan 8.240 nan 0.000 0.513 168 G N 0.126 108.820 108.800 -0.177 0.000 2.175 168 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 168 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 168 G C -0.181 174.462 174.900 -0.428 0.000 0.982 168 G CA 0.127 45.016 45.100 -0.352 0.000 0.641 168 G HN 0.642 nan 8.290 nan 0.000 0.527 169 Y N 0.614 120.955 120.300 0.069 0.000 2.570 169 Y HA 0.596 5.147 4.550 0.001 0.000 0.345 169 Y C 0.364 176.408 175.900 0.241 0.000 1.014 169 Y CA -0.849 57.340 58.100 0.149 0.000 1.063 169 Y CB 1.311 39.874 38.460 0.173 0.000 1.272 169 Y HN 0.353 nan 8.280 nan 0.000 0.477 170 N N -2.277 116.621 118.700 0.329 0.000 2.485 170 N HA 0.305 5.046 4.740 0.001 0.000 0.280 170 N C 0.533 176.109 175.510 0.109 0.000 1.205 170 N CA -0.400 52.734 53.050 0.140 0.000 0.959 170 N CB 0.749 39.251 38.487 0.025 0.000 1.206 170 N HN 0.621 nan 8.380 nan 0.000 0.545 171 T N -4.352 110.052 114.554 -0.250 0.000 3.098 171 T HA -0.060 4.291 4.350 0.001 0.000 0.266 171 T C 0.401 175.027 174.700 -0.123 0.000 1.145 171 T CA 0.757 62.566 62.100 -0.486 0.000 1.092 171 T CB -0.362 68.019 68.868 -0.812 0.000 0.908 171 T HN 0.397 nan 8.240 nan 0.000 0.526 172 D N 1.470 121.860 120.400 -0.017 0.000 2.277 172 D HA 0.051 4.691 4.640 0.001 0.000 0.208 172 D C 0.519 176.860 176.300 0.068 0.000 0.962 172 D CA 0.460 54.479 54.000 0.032 0.000 0.865 172 D CB -0.169 40.648 40.800 0.027 0.000 0.939 172 D HN 0.483 nan 8.370 nan 0.000 0.510 173 D N -0.239 120.231 120.400 0.118 0.000 2.360 173 D HA 0.166 4.806 4.640 0.001 0.000 0.242 173 D C 1.247 177.586 176.300 0.066 0.000 1.184 173 D CA -0.062 54.011 54.000 0.121 0.000 0.930 173 D CB 1.094 42.022 40.800 0.214 0.000 1.161 173 D HN -0.066 nan 8.370 nan 0.000 0.447 174 A N 1.363 124.183 122.820 0.002 0.000 1.972 174 A HA -0.216 4.105 4.320 0.001 0.000 0.219 174 A C 1.894 179.423 177.584 -0.091 0.000 1.169 174 A CA 1.028 53.044 52.037 -0.036 0.000 0.635 174 A CB -0.755 18.219 19.000 -0.042 0.000 0.810 174 A HN 0.597 nan 8.150 nan 0.000 0.446 175 F N -0.556 119.158 119.950 -0.392 0.000 2.091 175 F HA -0.256 4.272 4.527 0.001 0.000 0.299 175 F C 2.006 177.672 175.800 -0.223 0.000 1.103 175 F CA 2.067 59.782 58.000 -0.474 0.000 1.228 175 F CB -0.401 38.001 39.000 -0.996 0.000 0.984 175 F HN 0.315 nan 8.300 nan 0.000 0.477 176 Y N -0.025 120.181 120.300 -0.155 0.000 2.301 176 Y HA 0.005 4.556 4.550 0.001 0.000 0.295 176 Y C 2.269 178.118 175.900 -0.085 0.000 1.119 176 Y CA 0.965 58.923 58.100 -0.235 0.000 1.162 176 Y CB -0.432 37.773 38.460 -0.425 0.000 1.046 176 Y HN -0.173 nan 8.280 nan 0.000 0.538 177 K N 0.226 120.690 120.400 0.106 0.000 2.288 177 K HA -0.100 4.221 4.320 0.001 0.000 0.201 177 K C 1.099 177.697 176.600 -0.003 0.000 1.048 177 K CA 0.965 57.305 56.287 0.088 0.000 0.956 177 K CB -0.409 32.128 32.500 0.061 0.000 0.746 177 K HN 0.320 nan 8.250 nan 0.000 0.461 178 D N 0.290 120.668 120.400 -0.038 0.000 2.218 178 D HA -0.108 4.533 4.640 0.001 0.000 0.204 178 D C 1.601 177.859 176.300 -0.070 0.000 0.976 178 D CA 1.455 55.427 54.000 -0.047 0.000 0.853 178 D CB -0.170 40.599 40.800 -0.051 0.000 0.939 178 D HN 0.368 nan 8.370 nan 0.000 0.481 179 T N -2.197 112.280 114.554 -0.128 0.000 3.118 179 T HA 0.046 4.397 4.350 0.001 0.000 0.260 179 T C 1.794 176.050 174.700 -0.740 0.000 1.139 179 T CA 0.303 62.158 62.100 -0.408 0.000 1.085 179 T CB -0.118 68.560 68.868 -0.315 0.000 0.934 179 T HN 0.147 nan 8.240 nan 0.000 0.518 180 L N -0.801 120.192 121.223 -0.383 0.000 2.609 180 L HA 0.344 4.685 4.340 0.001 0.000 0.230 180 L C 2.485 179.195 176.870 -0.267 0.000 1.087 180 L CA 0.093 54.722 54.840 -0.352 0.000 0.874 180 L CB -0.138 41.797 42.059 -0.207 0.000 1.114 180 L HN 0.148 nan 8.230 nan 0.000 0.488 181 K N 0.234 120.515 120.400 -0.198 0.000 2.147 181 K HA -0.087 4.233 4.320 0.001 0.000 0.205 181 K C 0.844 177.379 176.600 -0.108 0.000 1.049 181 K CA 0.625 56.843 56.287 -0.116 0.000 0.936 181 K CB -0.061 32.400 32.500 -0.065 0.000 0.722 181 K HN 0.080 nan 8.250 nan 0.000 0.446 182 N N 1.286 119.904 118.700 -0.137 0.000 2.419 182 N HA -0.030 4.711 4.740 0.001 0.000 0.264 182 N C -0.156 175.295 175.510 -0.098 0.000 1.031 182 N CA 0.098 53.100 53.050 -0.080 0.000 0.951 182 N CB 1.540 40.030 38.487 0.004 0.000 1.101 182 N HN -0.048 nan 8.380 nan 0.000 0.488 183 D N 1.486 121.848 120.400 -0.063 0.000 2.183 183 D HA -0.104 4.536 4.640 0.001 0.000 0.203 183 D C -0.004 176.295 176.300 -0.002 0.000 0.969 183 D CA 0.898 54.874 54.000 -0.040 0.000 0.842 183 D CB 0.055 40.842 40.800 -0.022 0.000 0.957 183 D HN 0.438 nan 8.370 nan 0.000 0.484 184 N N 0.676 119.348 118.700 -0.046 0.000 2.466 184 N HA -0.074 4.667 4.740 0.001 0.000 0.263 184 N C 0.659 176.196 175.510 0.046 0.000 1.178 184 N CA -0.138 52.853 53.050 -0.097 0.000 0.983 184 N CB -0.397 37.865 38.487 -0.374 0.000 1.331 184 N HN 0.036 nan 8.380 nan 0.000 0.500 185 F N 4.623 124.591 119.950 0.029 0.000 2.063 185 F HA -0.277 4.251 4.527 0.001 0.000 0.298 185 F C 1.706 177.631 175.800 0.208 0.000 1.109 185 F CA 1.855 59.926 58.000 0.118 0.000 1.212 185 F CB -0.154 38.904 39.000 0.096 0.000 0.973 185 F HN 0.575 nan 8.300 nan 0.000 0.480 186 N N -0.305 118.557 118.700 0.271 0.000 2.104 186 N HA -0.262 4.479 4.740 0.001 0.000 0.190 186 N C 1.906 177.417 175.510 0.001 0.000 1.024 186 N CA 1.377 54.520 53.050 0.155 0.000 0.853 186 N CB -0.344 38.295 38.487 0.254 0.000 1.008 186 N HN 0.507 nan 8.380 nan 0.000 0.424 187 E N 0.154 120.339 120.200 -0.025 0.000 2.106 187 E HA -0.193 4.158 4.350 0.001 0.000 0.192 187 E C 1.808 178.399 176.600 -0.015 0.000 0.984 187 E CA 0.761 57.139 56.400 -0.037 0.000 0.806 187 E CB -0.056 29.594 29.700 -0.083 0.000 0.750 187 E HN 0.444 nan 8.360 nan 0.000 0.458 188 W N 0.616 121.796 121.300 -0.200 0.000 2.407 188 W HA -0.103 4.558 4.660 0.001 0.000 0.305 188 W C 2.492 178.883 176.519 -0.213 0.000 1.196 188 W CA 1.595 58.813 57.345 -0.212 0.000 1.311 188 W CB -0.678 28.604 29.460 -0.296 0.000 1.135 188 W HN -0.033 nan 8.180 nan 0.000 0.514 189 S N 0.555 115.897 115.700 -0.596 0.000 2.359 189 S HA -0.301 4.170 4.470 0.001 0.000 0.224 189 S C 2.031 176.402 174.600 -0.382 0.000 1.035 189 S CA 2.060 59.764 58.200 -0.828 0.000 1.018 189 S CB -0.647 62.252 63.200 -0.501 0.000 0.876 189 S HN 0.357 nan 8.310 nan 0.000 0.448 190 K N 0.056 120.329 120.400 -0.211 0.000 2.063 190 K HA -0.062 4.259 4.320 0.001 0.000 0.208 190 K C 2.050 178.654 176.600 0.006 0.000 1.048 190 K CA 1.596 57.831 56.287 -0.086 0.000 0.928 190 K CB -0.791 31.695 32.500 -0.023 0.000 0.713 190 K HN 0.419 nan 8.250 nan 0.000 0.442 191 G N -0.828 107.933 108.800 -0.064 0.000 2.430 191 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 191 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 191 G C 1.330 176.227 174.900 -0.005 0.000 1.146 191 G CA 0.549 45.645 45.100 -0.006 0.000 0.793 191 G HN 0.388 nan 8.290 nan 0.000 0.537 192 Y N 0.956 121.037 120.300 -0.364 0.000 2.200 192 Y HA -0.134 4.417 4.550 0.001 0.000 0.290 192 Y C 2.823 178.854 175.900 0.219 0.000 1.137 192 Y CA 1.195 59.136 58.100 -0.265 0.000 1.163 192 Y CB -0.437 37.504 38.460 -0.864 0.000 0.988 192 Y HN 0.235 nan 8.280 nan 0.000 0.518 193 C N 0.418 119.904 119.300 0.311 0.000 2.429 193 C HA -0.158 4.303 4.460 0.001 0.000 0.277 193 C C 2.684 177.959 174.990 0.475 0.000 1.262 193 C CA 1.477 60.737 59.018 0.403 0.000 1.733 193 C CB -1.081 26.774 27.740 0.193 0.000 2.010 193 C HN 0.548 nan 8.230 nan 0.000 0.483 194 K N -0.123 120.543 120.400 0.444 0.000 2.032 194 K HA -0.230 4.091 4.320 0.001 0.000 0.209 194 K C 2.048 178.727 176.600 0.133 0.000 1.048 194 K CA 1.814 58.310 56.287 0.349 0.000 0.927 194 K CB -0.465 32.191 32.500 0.259 0.000 0.712 194 K HN 0.615 nan 8.250 nan 0.000 0.441 195 Y N -0.534 119.738 120.300 -0.048 0.000 2.145 195 Y HA -0.246 4.305 4.550 0.001 0.000 0.286 195 Y C 1.588 177.354 175.900 -0.223 0.000 1.145 195 Y CA 1.996 59.965 58.100 -0.218 0.000 1.148 195 Y CB -0.393 37.819 38.460 -0.414 0.000 0.981 195 Y HN 0.179 nan 8.280 nan 0.000 0.507 196 W N -0.355 120.908 121.300 -0.060 0.000 2.418 196 W HA -0.001 4.660 4.660 0.001 0.000 0.292 196 W C 2.640 179.059 176.519 -0.167 0.000 1.213 196 W CA 1.104 58.355 57.345 -0.157 0.000 1.283 196 W CB -0.443 28.958 29.460 -0.098 0.000 1.119 196 W HN 0.119 nan 8.180 nan 0.000 0.542 197 A N 0.258 123.164 122.820 0.142 0.000 1.968 197 A HA -0.173 4.148 4.320 0.001 0.000 0.217 197 A C 1.828 179.374 177.584 -0.062 0.000 1.169 197 A CA 1.800 53.870 52.037 0.055 0.000 0.638 197 A CB -0.554 18.536 19.000 0.151 0.000 0.812 197 A HN 0.129 nan 8.150 nan 0.000 0.446 198 K N 0.434 120.763 120.400 -0.118 0.000 2.097 198 K HA -0.041 4.279 4.320 0.001 0.000 0.205 198 K C 1.800 178.326 176.600 -0.123 0.000 1.050 198 K CA 1.708 57.909 56.287 -0.144 0.000 0.938 198 K CB -0.236 32.164 32.500 -0.167 0.000 0.718 198 K HN 0.448 nan 8.250 nan 0.000 0.442 199 K N -0.443 119.855 120.400 -0.170 0.000 2.097 199 K HA -0.032 4.288 4.320 0.001 0.000 0.205 199 K C 1.992 178.587 176.600 -0.009 0.000 1.050 199 K CA 1.172 57.391 56.287 -0.114 0.000 0.938 199 K CB -0.141 32.263 32.500 -0.160 0.000 0.718 199 K HN 0.222 nan 8.250 nan 0.000 0.442 200 A N 1.404 124.228 122.820 0.008 0.000 1.968 200 A HA -0.159 4.162 4.320 0.001 0.000 0.217 200 A C 1.989 179.569 177.584 -0.007 0.000 1.169 200 A CA 1.342 53.386 52.037 0.012 0.000 0.638 200 A CB -0.223 18.771 19.000 -0.009 0.000 0.812 200 A HN 0.174 nan 8.150 nan 0.000 0.446 201 K N -0.357 120.040 120.400 -0.005 0.000 2.103 201 K HA -0.118 4.203 4.320 0.001 0.000 0.204 201 K C 1.503 178.197 176.600 0.156 0.000 1.052 201 K CA 1.200 57.517 56.287 0.050 0.000 0.945 201 K CB -0.144 32.373 32.500 0.028 0.000 0.722 201 K HN 0.372 nan 8.250 nan 0.000 0.443 202 N N 1.156 119.911 118.700 0.092 0.000 2.166 202 N HA -0.141 4.600 4.740 0.001 0.000 0.186 202 N C 1.767 177.353 175.510 0.126 0.000 1.019 202 N CA 0.951 54.064 53.050 0.105 0.000 0.856 202 N CB -0.145 38.368 38.487 0.044 0.000 0.993 202 N HN 0.205 nan 8.380 nan 0.000 0.426 203 L N -0.444 120.844 121.223 0.108 0.000 2.201 203 L HA -0.157 4.184 4.340 0.001 0.000 0.212 203 L C 2.245 179.137 176.870 0.036 0.000 1.105 203 L CA 0.839 55.761 54.840 0.137 0.000 0.775 203 L CB -0.379 41.729 42.059 0.081 0.000 0.913 203 L HN 0.159 nan 8.230 nan 0.000 0.440 204 Y N -0.515 119.670 120.300 -0.191 0.000 2.184 204 Y HA -0.266 4.285 4.550 0.001 0.000 0.290 204 Y C 2.218 177.879 175.900 -0.399 0.000 1.129 204 Y CA 1.503 59.332 58.100 -0.452 0.000 1.144 204 Y CB -0.357 37.697 38.460 -0.678 0.000 0.995 204 Y HN 0.022 nan 8.280 nan 0.000 0.513 205 Y N -0.092 120.078 120.300 -0.216 0.000 2.516 205 Y HA -0.052 4.499 4.550 0.001 0.000 0.291 205 Y C 2.437 178.166 175.900 -0.284 0.000 1.131 205 Y CA 1.135 59.068 58.100 -0.278 0.000 1.281 205 Y CB -0.157 38.261 38.460 -0.069 0.000 1.013 205 Y HN 0.306 nan 8.280 nan 0.000 0.554 206 S N -2.837 112.778 115.700 -0.142 0.000 2.559 206 S HA 0.163 4.633 4.470 0.001 0.000 0.226 206 S C 0.768 174.993 174.600 -0.624 0.000 1.000 206 S CA -0.025 57.981 58.200 -0.323 0.000 0.948 206 S CB 0.071 63.100 63.200 -0.286 0.000 0.870 206 S HN 0.407 nan 8.310 nan 0.000 0.497 207 H N -0.406 118.608 119.070 -0.094 0.000 3.640 207 H HA 0.431 4.988 4.556 0.001 0.000 0.240 207 H C 1.179 176.536 175.328 0.049 0.000 1.003 207 H CA 0.590 56.654 56.048 0.028 0.000 1.082 207 H CB 0.416 30.267 29.762 0.149 0.000 1.327 207 H HN 0.437 nan 8.280 nan 0.000 0.692 208 A N 1.414 124.141 122.820 -0.155 0.000 2.503 208 A HA 0.269 4.590 4.320 0.001 0.000 0.263 208 A C 0.625 178.071 177.584 -0.230 0.000 1.258 208 A CA -0.055 51.759 52.037 -0.372 0.000 0.936 208 A CB -0.220 18.265 19.000 -0.858 0.000 1.070 208 A HN 0.126 nan 8.150 nan 0.000 0.522 209 T N -0.298 114.082 114.554 -0.290 0.000 2.856 209 T HA 0.195 4.545 4.350 0.001 0.000 0.306 209 T C 1.393 176.262 174.700 0.282 0.000 1.062 209 T CA -0.096 61.891 62.100 -0.189 0.000 1.083 209 T CB 0.538 69.218 68.868 -0.313 0.000 0.984 209 T HN 0.264 nan 8.240 nan 0.000 0.542 210 M N 1.399 121.169 119.600 0.283 0.000 2.143 210 M HA -0.138 4.343 4.480 0.001 0.000 0.258 210 M C 1.878 178.271 176.300 0.155 0.000 1.071 210 M CA 1.648 57.119 55.300 0.285 0.000 1.088 210 M CB -0.322 32.401 32.600 0.205 0.000 1.360 210 M HN 0.758 nan 8.290 nan 0.000 0.404 211 S N -0.903 114.852 115.700 0.093 0.000 2.526 211 S HA 0.290 4.761 4.470 0.001 0.000 0.247 211 S C -0.284 174.329 174.600 0.022 0.000 1.076 211 S CA -0.794 57.426 58.200 0.033 0.000 1.105 211 S CB -0.496 62.712 63.200 0.013 0.000 0.793 211 S HN 0.328 nan 8.310 nan 0.000 0.458 212 N N 1.261 120.003 118.700 0.069 0.000 2.319 212 N HA 0.504 5.245 4.740 0.001 0.000 0.305 212 N C -0.028 175.504 175.510 0.038 0.000 1.103 212 N CA -0.492 52.614 53.050 0.093 0.000 0.815 212 N CB 1.933 40.557 38.487 0.229 0.000 1.288 212 N HN 0.395 nan 8.380 nan 0.000 0.493 213 S N 0.548 116.280 115.700 0.053 0.000 2.634 213 S HA 0.081 4.551 4.470 0.001 0.000 0.254 213 S C 0.430 175.128 174.600 0.164 0.000 1.299 213 S CA -0.083 58.127 58.200 0.017 0.000 0.974 213 S CB 0.458 63.664 63.200 0.009 0.000 1.001 213 S HN 0.614 nan 8.310 nan 0.000 0.584 214 W N 0.184 121.414 121.300 -0.117 0.000 2.539 214 W HA 0.217 4.878 4.660 0.001 0.000 0.281 214 W C 1.916 178.471 176.519 0.059 0.000 1.220 214 W CA 0.045 57.317 57.345 -0.123 0.000 1.332 214 W CB -1.296 28.085 29.460 -0.131 0.000 1.095 214 W HN 0.668 nan 8.180 nan 0.000 0.571 215 D N 0.201 120.790 120.400 0.314 0.000 2.178 215 D HA -0.162 4.478 4.640 0.001 0.000 0.201 215 D C 1.422 177.903 176.300 0.302 0.000 0.980 215 D CA 1.453 55.614 54.000 0.267 0.000 0.842 215 D CB -0.401 40.510 40.800 0.185 0.000 0.948 215 D HN 0.121 nan 8.370 nan 0.000 0.472 216 D N -0.385 120.219 120.400 0.341 0.000 2.117 216 D HA -0.138 4.503 4.640 0.001 0.000 0.197 216 D C 1.932 178.561 176.300 0.549 0.000 0.987 216 D CA 0.589 54.867 54.000 0.464 0.000 0.829 216 D CB -0.284 40.839 40.800 0.539 0.000 0.961 216 D HN 0.311 nan 8.370 nan 0.000 0.460 217 W N 1.383 122.823 121.300 0.234 0.000 2.388 217 W HA -0.056 4.605 4.660 0.001 0.000 0.294 217 W C 2.447 179.117 176.519 0.252 0.000 1.212 217 W CA 0.544 58.026 57.345 0.228 0.000 1.271 217 W CB -0.625 28.798 29.460 -0.062 0.000 1.126 217 W HN 0.019 nan 8.180 nan 0.000 0.535 218 E N -0.941 119.530 120.200 0.452 0.000 2.150 218 E HA -0.258 4.093 4.350 0.001 0.000 0.193 218 E C 2.026 178.810 176.600 0.306 0.000 0.985 218 E CA 1.405 58.080 56.400 0.459 0.000 0.814 218 E CB -0.858 29.090 29.700 0.413 0.000 0.752 218 E HN 0.352 nan 8.360 nan 0.000 0.466 219 Y N 0.121 120.507 120.300 0.143 0.000 2.163 219 Y HA -0.062 4.489 4.550 0.001 0.000 0.288 219 Y C 2.092 178.019 175.900 0.044 0.000 1.136 219 Y CA 1.990 60.102 58.100 0.020 0.000 1.147 219 Y CB -0.611 37.684 38.460 -0.275 0.000 0.987 219 Y HN 0.121 nan 8.280 nan 0.000 0.509 220 A N 0.389 123.296 122.820 0.144 0.000 1.872 220 A HA -0.015 4.306 4.320 0.001 0.000 0.214 220 A C 2.391 180.155 177.584 0.301 0.000 1.187 220 A CA 1.619 53.760 52.037 0.172 0.000 0.614 220 A CB -1.476 17.675 19.000 0.252 0.000 0.826 220 A HN 0.580 nan 8.150 nan 0.000 0.442 221 A N 0.430 123.457 122.820 0.344 0.000 1.877 221 A HA -0.123 4.198 4.320 0.001 0.000 0.216 221 A C 2.578 179.861 177.584 -0.502 0.000 1.186 221 A CA 2.601 54.664 52.037 0.044 0.000 0.620 221 A CB -1.131 17.830 19.000 -0.065 0.000 0.822 221 A HN 1.019 nan 8.150 nan 0.000 0.443 222 S N -0.659 114.604 115.700 -0.728 0.000 2.356 222 S HA -0.261 4.210 4.470 0.001 0.000 0.223 222 S C 1.906 176.110 174.600 -0.659 0.000 1.032 222 S CA 1.543 59.032 58.200 -1.185 0.000 1.005 222 S CB -1.025 61.787 63.200 -0.648 0.000 0.867 222 S HN 0.700 nan 8.310 nan 0.000 0.449 223 H N 0.790 119.588 119.070 -0.453 0.000 2.462 223 H HA 0.078 4.635 4.556 0.001 0.000 0.292 223 H C 2.465 177.693 175.328 -0.167 0.000 1.049 223 H CA 1.043 56.897 56.048 -0.323 0.000 1.334 223 H CB -0.541 28.956 29.762 -0.443 0.000 1.404 223 H HN 0.623 nan 8.280 nan 0.000 0.544 224 G N 0.344 109.163 108.800 0.032 0.000 2.394 224 G HA2 -0.158 3.803 3.960 0.001 0.000 0.214 224 G HA3 -0.158 3.803 3.960 0.001 0.000 0.214 224 G C 1.853 176.782 174.900 0.048 0.000 1.176 224 G CA 0.726 45.974 45.100 0.247 0.000 0.786 224 G HN 0.210 nan 8.290 nan 0.000 0.533 225 V N 1.432 121.099 119.914 -0.413 0.000 2.453 225 V HA 0.010 4.130 4.120 0.001 0.000 0.247 225 V C 3.072 178.950 176.094 -0.360 0.000 1.048 225 V CA 1.822 63.727 62.300 -0.659 0.000 1.049 225 V CB -0.764 30.631 31.823 -0.712 0.000 0.672 225 V HN 0.422 nan 8.190 nan 0.000 0.457 226 G N 0.190 108.805 108.800 -0.308 0.000 2.402 226 G HA2 -0.225 3.736 3.960 0.001 0.000 0.216 226 G HA3 -0.225 3.736 3.960 0.001 0.000 0.216 226 G C 1.414 176.217 174.900 -0.163 0.000 1.162 226 G CA 0.730 45.695 45.100 -0.226 0.000 0.777 226 G HN 0.502 nan 8.290 nan 0.000 0.539 227 N N 1.361 119.989 118.700 -0.120 0.000 2.166 227 N HA -0.074 4.667 4.740 0.001 0.000 0.186 227 N C 2.414 177.675 175.510 -0.416 0.000 1.019 227 N CA 1.286 54.238 53.050 -0.164 0.000 0.856 227 N CB -0.498 38.050 38.487 0.102 0.000 0.993 227 N HN 0.311 nan 8.380 nan 0.000 0.426 228 A N 0.866 123.560 122.820 -0.210 0.000 1.930 228 A HA -0.152 4.169 4.320 0.001 0.000 0.217 228 A C 2.182 179.740 177.584 -0.043 0.000 1.175 228 A CA 1.198 53.174 52.037 -0.101 0.000 0.627 228 A CB -0.471 18.510 19.000 -0.032 0.000 0.815 228 A HN 0.318 nan 8.150 nan 0.000 0.443 229 Q N -0.410 119.330 119.800 -0.101 0.000 2.016 229 Q HA -0.168 4.173 4.340 0.001 0.000 0.200 229 Q C 2.133 178.141 176.000 0.012 0.000 0.978 229 Q CA 1.840 57.621 55.803 -0.037 0.000 0.833 229 Q CB -0.183 28.520 28.738 -0.059 0.000 0.895 229 Q HN 0.626 nan 8.270 nan 0.000 0.427 230 K N -0.137 120.238 120.400 -0.041 0.000 2.063 230 K HA -0.157 4.164 4.320 0.001 0.000 0.208 230 K C 2.064 178.786 176.600 0.203 0.000 1.048 230 K CA 1.337 57.666 56.287 0.071 0.000 0.928 230 K CB -0.439 32.096 32.500 0.059 0.000 0.713 230 K HN 0.319 nan 8.250 nan 0.000 0.442 231 G N 0.372 109.059 108.800 -0.188 0.000 2.418 231 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 231 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 231 G C 1.529 176.502 174.900 0.123 0.000 1.158 231 G CA 0.754 45.795 45.100 -0.098 0.000 0.771 231 G HN 0.125 nan 8.290 nan 0.000 0.545 232 V N 1.486 121.424 119.914 0.040 0.000 2.515 232 V HA -0.093 4.028 4.120 0.001 0.000 0.250 232 V C 3.288 179.511 176.094 0.214 0.000 1.058 232 V CA 1.802 64.111 62.300 0.015 0.000 1.064 232 V CB -0.669 31.198 31.823 0.074 0.000 0.675 232 V HN 0.477 nan 8.190 nan 0.000 0.461 233 A N 0.652 123.639 122.820 0.279 0.000 1.908 233 A HA -0.122 4.199 4.320 0.001 0.000 0.218 233 A C 2.423 180.313 177.584 0.510 0.000 1.181 233 A CA 2.033 54.303 52.037 0.389 0.000 0.627 233 A CB -1.188 18.062 19.000 0.418 0.000 0.818 233 A HN 0.521 nan 8.150 nan 0.000 0.445 234 G N -2.332 106.746 108.800 0.462 0.000 2.408 234 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 234 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 234 G C 1.533 176.596 174.900 0.272 0.000 1.150 234 G CA 1.143 46.429 45.100 0.311 0.000 0.776 234 G HN 0.505 nan 8.290 nan 0.000 0.542 235 Y N 0.886 121.280 120.300 0.156 0.000 2.242 235 Y HA 0.065 4.616 4.550 0.001 0.000 0.291 235 Y C 2.647 178.659 175.900 0.187 0.000 1.137 235 Y CA 0.965 59.136 58.100 0.118 0.000 1.181 235 Y CB -0.087 38.319 38.460 -0.090 0.000 0.989 235 Y HN 0.080 nan 8.280 nan 0.000 0.527 236 L N -1.756 119.701 121.223 0.389 0.000 2.093 236 L HA -0.261 4.080 4.340 0.001 0.000 0.208 236 L C 2.147 179.190 176.870 0.287 0.000 1.085 236 L CA 1.399 56.419 54.840 0.300 0.000 0.755 236 L CB -0.746 41.450 42.059 0.228 0.000 0.904 236 L HN 0.246 nan 8.230 nan 0.000 0.435 237 Y N 1.119 121.520 120.300 0.169 0.000 2.114 237 Y HA -0.318 4.233 4.550 0.001 0.000 0.284 237 Y C 2.860 178.736 175.900 -0.040 0.000 1.143 237 Y CA 1.887 60.034 58.100 0.077 0.000 1.135 237 Y CB -0.241 38.335 38.460 0.195 0.000 0.980 237 Y HN 0.001 nan 8.280 nan 0.000 0.499 238 R N 0.141 120.570 120.500 -0.118 0.000 2.105 238 R HA -0.209 4.132 4.340 0.001 0.000 0.239 238 R C 2.137 178.305 176.300 -0.220 0.000 1.135 238 R CA 1.925 57.800 56.100 -0.375 0.000 0.967 238 R CB -1.585 28.265 30.300 -0.750 0.000 0.861 238 R HN 0.453 nan 8.270 nan 0.000 0.442 239 F N 0.248 120.109 119.950 -0.148 0.000 2.084 239 F HA -0.045 4.483 4.527 0.001 0.000 0.296 239 F C 1.720 177.331 175.800 -0.314 0.000 1.111 239 F CA 1.560 59.474 58.000 -0.142 0.000 1.224 239 F CB -0.297 38.697 39.000 -0.010 0.000 0.991 239 F HN 0.022 nan 8.300 nan 0.000 0.471 240 L N 0.301 121.392 121.223 -0.220 0.000 2.131 240 L HA -0.239 4.102 4.340 0.001 0.000 0.210 240 L C 2.279 178.877 176.870 -0.453 0.000 1.092 240 L CA 1.114 55.719 54.840 -0.391 0.000 0.759 240 L CB -0.809 41.139 42.059 -0.185 0.000 0.903 240 L HN 0.259 nan 8.230 nan 0.000 0.435 241 N N -0.163 118.259 118.700 -0.463 0.000 2.171 241 N HA -0.160 4.581 4.740 0.001 0.000 0.184 241 N C 1.312 176.590 175.510 -0.388 0.000 1.021 241 N CA 1.294 54.080 53.050 -0.441 0.000 0.854 241 N CB -0.052 38.118 38.487 -0.527 0.000 0.994 241 N HN 0.318 nan 8.380 nan 0.000 0.426 242 D N 0.608 120.749 120.400 -0.433 0.000 2.117 242 D HA -0.109 4.531 4.640 0.001 0.000 0.197 242 D C 1.957 177.998 176.300 -0.431 0.000 0.987 242 D CA 0.770 54.526 54.000 -0.406 0.000 0.829 242 D CB -0.152 40.382 40.800 -0.444 0.000 0.961 242 D HN 0.218 nan 8.370 nan 0.000 0.460 243 V N -0.742 118.802 119.914 -0.618 0.000 3.573 243 V HA 0.061 4.182 4.120 0.001 0.000 0.270 243 V C 1.608 177.534 176.094 -0.281 0.000 1.221 243 V CA 1.430 63.397 62.300 -0.556 0.000 1.163 243 V CB -0.267 30.881 31.823 -1.125 0.000 0.847 243 V HN 0.135 nan 8.190 nan 0.000 0.468 244 S N -0.720 114.824 115.700 -0.259 0.000 2.520 244 S HA 0.277 4.748 4.470 0.001 0.000 0.219 244 S C 1.097 175.629 174.600 -0.113 0.000 1.028 244 S CA 0.475 58.594 58.200 -0.136 0.000 0.921 244 S CB -1.139 61.974 63.200 -0.146 0.000 0.844 244 S HN 0.998 nan 8.310 nan 0.000 0.495 245 N N 1.569 120.182 118.700 -0.146 0.000 2.427 245 N HA 0.462 5.203 4.740 0.001 0.000 0.269 245 N C 0.930 176.394 175.510 -0.078 0.000 1.235 245 N CA 0.394 53.376 53.050 -0.113 0.000 0.934 245 N CB -0.212 38.196 38.487 -0.131 0.000 1.121 245 N HN 0.717 nan 8.380 nan 0.000 0.480 246 K N 0.021 120.389 120.400 -0.054 0.000 2.365 246 K HA 0.057 4.377 4.320 0.001 0.000 0.199 246 K C 1.934 178.515 176.600 -0.032 0.000 1.045 246 K CA 1.657 57.924 56.287 -0.034 0.000 0.962 246 K CB -1.340 nan 32.500 nan 0.000 0.759 246 K HN 0.902 nan 8.250 nan 0.000 0.469 247 D N -0.597 119.779 120.400 -0.040 0.000 2.084 247 D HA 0.331 4.972 4.640 0.001 0.000 0.196 247 D C 1.457 177.736 176.300 -0.034 0.000 0.985 247 D CA 2.192 56.172 54.000 -0.033 0.000 0.826 247 D CB -0.681 40.098 40.800 -0.035 0.000 0.978 247 D HN 1.579 nan 8.370 nan 0.000 0.456 248 A N -1.300 121.491 122.820 -0.048 0.000 2.610 248 A HA 0.059 4.379 4.320 0.001 0.000 0.299 248 A C 0.595 178.159 177.584 -0.032 0.000 1.487 248 A CA 0.655 52.662 52.037 -0.050 0.000 0.743 248 A CB -2.327 16.645 19.000 -0.047 0.000 1.070 248 A HN 1.131 nan 8.150 nan 0.000 0.439 249 V N 0.238 120.136 119.914 -0.026 0.000 2.455 249 V HA 0.481 4.602 4.120 0.001 0.000 0.273 249 V C 0.926 177.023 176.094 0.005 0.000 1.045 249 V CA 0.350 62.645 62.300 -0.008 0.000 0.976 249 V CB 0.600 32.421 31.823 -0.004 0.000 0.993 249 V HN 0.989 nan 8.190 nan 0.000 0.475 250 D N 3.730 124.137 120.400 0.012 0.000 2.348 250 D HA 0.446 5.086 4.640 0.001 0.000 0.259 250 D C 1.172 177.504 176.300 0.053 0.000 1.296 250 D CA 0.232 54.247 54.000 0.025 0.000 0.931 250 D CB 0.793 41.603 40.800 0.016 0.000 1.067 250 D HN 0.861 nan 8.370 nan 0.000 0.503 251 K N 0.918 121.371 120.400 0.088 0.000 2.209 251 K HA 0.001 4.322 4.320 0.001 0.000 0.204 251 K C 1.324 178.009 176.600 0.141 0.000 1.048 251 K CA 1.192 57.553 56.287 0.123 0.000 0.940 251 K CB -0.669 31.934 32.500 0.171 0.000 0.729 251 K HN 0.859 nan 8.250 nan 0.000 0.451 252 D N -1.009 119.455 120.400 0.106 0.000 2.697 252 D HA -0.179 4.461 4.640 0.001 0.000 0.238 252 D C -0.006 176.319 176.300 0.041 0.000 1.152 252 D CA 1.023 55.041 54.000 0.030 0.000 0.666 252 D CB -1.983 38.850 40.800 0.055 0.000 1.037 252 D HN 0.847 nan 8.370 nan 0.000 0.423 253 Y N -1.410 118.930 120.300 0.067 0.000 2.289 253 Y HA 0.527 5.077 4.550 0.001 0.000 0.332 253 Y C 0.787 176.732 175.900 0.075 0.000 1.324 253 Y CA -1.128 57.011 58.100 0.064 0.000 1.478 253 Y CB 0.527 39.022 38.460 0.059 0.000 1.378 253 Y HN -0.139 nan 8.280 nan 0.000 0.558 254 D N 1.209 121.767 120.400 0.264 0.000 2.424 254 D HA 0.238 4.879 4.640 0.001 0.000 0.244 254 D C -0.511 175.896 176.300 0.177 0.000 1.134 254 D CA 0.251 54.349 54.000 0.165 0.000 0.881 254 D CB 0.674 41.573 40.800 0.166 0.000 1.191 254 D HN 0.511 nan 8.370 nan 0.000 0.445 255 L N 2.641 123.910 121.223 0.077 0.000 2.334 255 L HA 0.298 4.639 4.340 0.001 0.000 0.277 255 L C 1.552 178.499 176.870 0.128 0.000 1.075 255 L CA -0.628 54.258 54.840 0.076 0.000 0.804 255 L CB 0.861 42.941 42.059 0.035 0.000 1.174 255 L HN 0.268 nan 8.230 nan 0.000 0.438 256 N N 1.277 120.060 118.700 0.139 0.000 2.415 256 N HA 0.017 4.758 4.740 0.001 0.000 0.174 256 N C -0.128 175.445 175.510 0.105 0.000 1.048 256 N CA 0.375 53.500 53.050 0.126 0.000 0.895 256 N CB 0.833 39.396 38.487 0.126 0.000 1.036 256 N HN 0.755 nan 8.380 nan 0.000 0.449 257 E N 0.030 120.271 120.200 0.068 0.000 2.412 257 E HA 0.485 4.836 4.350 0.001 0.000 0.279 257 E C -1.377 175.189 176.600 -0.055 0.000 0.984 257 E CA -0.700 55.701 56.400 0.001 0.000 0.788 257 E CB 1.678 31.369 29.700 -0.015 0.000 1.277 257 E HN -0.146 nan 8.360 nan 0.000 0.455 258 I N 1.653 122.119 120.570 -0.174 0.000 2.465 258 I HA 0.339 4.510 4.170 0.001 0.000 0.291 258 I C -0.707 175.230 176.117 -0.301 0.000 1.014 258 I CA -1.438 59.731 61.300 -0.218 0.000 1.093 258 I CB 2.084 39.939 38.000 -0.241 0.000 1.267 258 I HN 0.363 nan 8.210 nan 0.000 0.431 259 V N 6.897 126.668 119.914 -0.238 0.000 2.383 259 V HA 0.332 4.452 4.120 0.001 0.000 0.275 259 V C 0.019 175.951 176.094 -0.269 0.000 1.036 259 V CA -0.553 61.608 62.300 -0.233 0.000 0.889 259 V CB 1.626 33.338 31.823 -0.184 0.000 0.985 259 V HN 0.412 nan 8.190 nan 0.000 0.459 260 V N 6.571 126.322 119.914 -0.271 0.000 2.444 260 V HA 0.503 4.624 4.120 0.001 0.000 0.294 260 V C -0.162 175.932 176.094 0.001 0.000 1.022 260 V CA -0.462 61.692 62.300 -0.244 0.000 0.850 260 V CB 1.634 33.141 31.823 -0.527 0.000 0.992 260 V HN 0.858 nan 8.190 nan 0.000 0.426 261 M N 6.239 125.867 119.600 0.048 0.000 2.149 261 M HA 0.625 5.106 4.480 0.001 0.000 0.342 261 M C -0.904 175.581 176.300 0.310 0.000 1.068 261 M CA 0.033 55.423 55.300 0.150 0.000 0.991 261 M CB 1.641 34.290 32.600 0.082 0.000 1.596 261 M HN 0.447 nan 8.290 nan 0.000 0.439 262 I N 2.495 123.263 120.570 0.329 0.000 2.608 262 I HA 0.517 4.688 4.170 0.001 0.000 0.295 262 I C -0.524 175.630 176.117 0.060 0.000 1.049 262 I CA -0.852 60.619 61.300 0.285 0.000 1.063 262 I CB 2.290 40.594 38.000 0.506 0.000 1.248 262 I HN 0.589 nan 8.210 nan 0.000 0.424 263 K N 3.311 123.490 120.400 -0.367 0.000 2.316 263 K HA 0.593 4.914 4.320 0.001 0.000 0.251 263 K C -1.115 175.373 176.600 -0.187 0.000 0.934 263 K CA -0.385 55.664 56.287 -0.397 0.000 0.802 263 K CB 2.011 33.961 32.500 -0.917 0.000 1.171 263 K HN 0.580 nan 8.250 nan 0.000 0.426 264 T N 1.908 116.467 114.554 0.009 0.000 2.829 264 T HA 0.417 4.768 4.350 0.001 0.000 0.282 264 T C -0.268 174.393 174.700 -0.065 0.000 0.990 264 T CA -0.554 61.585 62.100 0.065 0.000 1.028 264 T CB 1.489 70.574 68.868 0.362 0.000 0.951 264 T HN 0.717 nan 8.240 nan 0.000 0.460 265 A N 1.745 124.466 122.820 -0.165 0.000 2.448 265 A HA 0.227 4.548 4.320 0.001 0.000 0.239 265 A C 0.728 178.273 177.584 -0.064 0.000 1.080 265 A CA -0.302 51.644 52.037 -0.151 0.000 0.779 265 A CB 0.029 18.884 19.000 -0.241 0.000 1.026 265 A HN 0.780 nan 8.150 nan 0.000 0.499 266 D N 0.583 120.960 120.400 -0.038 0.000 3.134 266 D HA 0.322 4.963 4.640 0.001 0.000 0.248 266 D C -0.085 176.223 176.300 0.013 0.000 1.273 266 D CA 0.216 54.217 54.000 0.001 0.000 0.904 266 D CB -0.555 40.251 40.800 0.011 0.000 1.089 266 D HN 0.491 nan 8.370 nan 0.000 0.478 267 V N -2.185 117.739 119.914 0.017 0.000 3.126 267 V HA 0.502 4.623 4.120 0.001 0.000 0.314 267 V C -0.047 176.113 176.094 0.110 0.000 1.138 267 V CA -1.089 61.248 62.300 0.062 0.000 1.034 267 V CB 1.769 33.636 31.823 0.073 0.000 1.075 267 V HN -0.027 nan 8.190 nan 0.000 0.442 268 Q N 0.970 120.853 119.800 0.138 0.000 2.286 268 Q HA 0.072 4.413 4.340 0.001 0.000 0.290 268 Q C -0.223 175.923 176.000 0.244 0.000 1.049 268 Q CA 1.365 57.259 55.803 0.152 0.000 0.923 268 Q CB 0.264 29.074 28.738 0.121 0.000 1.183 268 Q HN 0.987 nan 8.270 nan 0.000 0.383 269 D N 1.276 121.803 120.400 0.211 0.000 3.076 269 D HA -0.254 4.386 4.640 0.001 0.000 0.218 269 D C 0.585 177.126 176.300 0.403 0.000 1.156 269 D CA 1.056 55.216 54.000 0.267 0.000 0.921 269 D CB -1.096 39.841 40.800 0.227 0.000 1.113 269 D HN 0.676 nan 8.370 nan 0.000 0.418 270 A N 0.268 123.254 122.820 0.277 0.000 1.930 270 A HA 0.296 4.617 4.320 0.001 0.000 0.217 270 A C 1.682 179.427 177.584 0.269 0.000 1.175 270 A CA 1.583 53.694 52.037 0.123 0.000 0.627 270 A CB -0.369 18.611 19.000 -0.033 0.000 0.815 270 A HN 0.394 nan 8.150 nan 0.000 0.443 271 G N -1.618 107.336 108.800 0.257 0.000 2.636 271 G HA2 0.428 4.389 3.960 0.001 0.000 0.246 271 G HA3 0.428 4.389 3.960 0.001 0.000 0.246 271 G C -0.235 174.806 174.900 0.234 0.000 1.216 271 G CA 0.760 46.022 45.100 0.270 0.000 0.854 271 G HN 0.420 nan 8.290 nan 0.000 0.572 272 T N -1.271 113.354 114.554 0.119 0.000 2.923 272 T HA 0.373 4.724 4.350 0.001 0.000 0.311 272 T C -0.442 174.232 174.700 -0.044 0.000 1.183 272 T CA -0.654 61.457 62.100 0.018 0.000 1.020 272 T CB 1.775 70.607 68.868 -0.061 0.000 1.165 272 T HN 0.293 nan 8.240 nan 0.000 0.482 273 D N 1.862 122.226 120.400 -0.060 0.000 2.349 273 D HA 0.164 4.805 4.640 0.001 0.000 0.214 273 D C 0.436 176.599 176.300 -0.229 0.000 1.063 273 D CA 0.075 54.010 54.000 -0.108 0.000 0.847 273 D CB 0.165 40.914 40.800 -0.085 0.000 0.933 273 D HN 0.381 nan 8.370 nan 0.000 0.513 274 N N 0.621 119.188 118.700 -0.222 0.000 2.307 274 N HA -0.068 4.673 4.740 0.001 0.000 0.230 274 N C -0.323 174.981 175.510 -0.344 0.000 1.297 274 N CA 0.252 53.136 53.050 -0.277 0.000 0.884 274 N CB 0.126 38.531 38.487 -0.136 0.000 1.115 274 N HN 0.018 nan 8.380 nan 0.000 0.436 275 Y N 0.481 120.739 120.300 -0.071 0.000 2.402 275 Y HA 0.250 4.801 4.550 0.001 0.000 0.333 275 Y C 0.422 176.181 175.900 -0.235 0.000 1.076 275 Y CA -0.133 57.879 58.100 -0.147 0.000 1.299 275 Y CB 0.397 38.839 38.460 -0.030 0.000 1.197 275 Y HN 0.139 nan 8.280 nan 0.000 0.517 276 I N 4.608 125.014 120.570 -0.273 0.000 2.474 276 I HA 0.309 4.480 4.170 0.001 0.000 0.294 276 I C -0.822 175.106 176.117 -0.316 0.000 1.005 276 I CA -1.620 59.478 61.300 -0.338 0.000 1.113 276 I CB 1.052 38.553 38.000 -0.832 0.000 1.289 276 I HN 0.519 nan 8.210 nan 0.000 0.436 277 Y N 4.914 125.249 120.300 0.059 0.000 2.462 277 Y HA 0.488 5.039 4.550 0.001 0.000 0.346 277 Y C -0.451 175.548 175.900 0.165 0.000 0.976 277 Y CA -0.800 57.384 58.100 0.141 0.000 1.044 277 Y CB 2.409 40.968 38.460 0.164 0.000 1.230 277 Y HN 0.423 nan 8.280 nan 0.000 0.455 278 F N 1.388 121.452 119.950 0.190 0.000 2.469 278 F HA 0.855 5.383 4.527 0.001 0.000 0.332 278 F C -0.020 175.782 175.800 0.002 0.000 1.103 278 F CA -0.578 57.445 58.000 0.039 0.000 0.979 278 F CB 1.449 40.452 39.000 0.005 0.000 1.137 278 F HN 0.522 nan 8.300 nan 0.000 0.463 279 G N 5.820 113.821 108.800 -1.331 0.000 2.667 279 G HA2 0.619 4.580 3.960 0.001 0.000 0.298 279 G HA3 0.619 4.580 3.960 0.001 0.000 0.298 279 G C -1.759 172.073 174.900 -1.781 0.000 1.377 279 G CA -0.841 43.365 45.100 -1.490 0.000 0.964 279 G HN 0.917 nan 8.290 nan 0.000 0.493 280 I N -2.310 117.778 120.570 -0.802 0.000 3.108 280 I HA 0.865 5.036 4.170 0.001 0.000 0.312 280 I C -0.875 175.265 176.117 0.038 0.000 1.095 280 I CA -1.088 60.011 61.300 -0.334 0.000 1.000 280 I CB 2.866 40.883 38.000 0.028 0.000 1.229 280 I HN 0.353 nan 8.210 nan 0.000 0.454 281 E N 2.120 122.426 120.200 0.177 0.000 2.274 281 E HA 0.317 4.668 4.350 0.001 0.000 0.269 281 E C -1.324 175.333 176.600 0.094 0.000 0.891 281 E CA -0.505 56.016 56.400 0.202 0.000 0.784 281 E CB 2.328 32.201 29.700 0.288 0.000 1.225 281 E HN 0.863 nan 8.360 nan 0.000 0.412 282 T N 0.157 114.749 114.554 0.064 0.000 2.882 282 T HA 0.128 4.479 4.350 0.001 0.000 0.287 282 T C 1.329 176.039 174.700 0.017 0.000 1.014 282 T CA -0.726 61.391 62.100 0.029 0.000 1.049 282 T CB 1.715 70.601 68.868 0.030 0.000 1.001 282 T HN 0.144 nan 8.240 nan 0.000 0.525 283 K N 0.408 120.808 120.400 0.000 0.000 2.032 283 K HA 0.007 4.328 4.320 0.001 0.000 0.209 283 K C 1.650 178.252 176.600 0.003 0.000 1.048 283 K CA 1.676 57.962 56.287 -0.002 0.000 0.927 283 K CB -1.209 31.285 32.500 -0.010 0.000 0.712 283 K HN 0.959 nan 8.250 nan 0.000 0.441 284 D N 0.129 120.533 120.400 0.007 0.000 2.551 284 D HA 0.464 5.105 4.640 0.001 0.000 0.223 284 D C 0.876 177.182 176.300 0.011 0.000 1.144 284 D CA 0.354 54.359 54.000 0.008 0.000 1.025 284 D CB -1.176 39.630 40.800 0.010 0.000 1.085 284 D HN 0.526 nan 8.370 nan 0.000 0.506 285 G N -0.279 108.526 108.800 0.009 0.000 2.602 285 G HA2 0.209 4.170 3.960 0.001 0.000 0.306 285 G HA3 0.209 4.170 3.960 0.001 0.000 0.306 285 G C 1.161 176.075 174.900 0.022 0.000 1.301 285 G CA 1.424 46.530 45.100 0.010 0.000 0.974 285 G HN 2.422 nan 8.290 nan 0.000 0.547 286 V N -3.418 116.507 119.914 0.019 0.000 3.559 286 V HA 0.450 4.570 4.120 0.001 0.000 0.476 286 V C 0.538 176.662 176.094 0.049 0.000 0.682 286 V CA 2.539 64.854 62.300 0.024 0.000 1.988 286 V CB -2.025 29.812 31.823 0.023 0.000 2.423 286 V HN 2.726 nan 8.190 nan 0.000 0.500 287 K N 4.787 125.219 120.400 0.053 0.000 2.159 287 K HA 0.888 5.209 4.320 0.001 0.000 0.266 287 K C -0.115 176.496 176.600 0.017 0.000 0.975 287 K CA 0.032 56.387 56.287 0.113 0.000 0.865 287 K CB 1.914 34.514 32.500 0.166 0.000 1.087 287 K HN 1.201 nan 8.250 nan 0.000 0.446 288 E N 1.296 121.473 120.200 -0.039 0.000 2.234 288 E HA 0.332 4.683 4.350 0.001 0.000 0.266 288 E C -1.426 174.896 176.600 -0.464 0.000 0.877 288 E CA -0.484 55.731 56.400 -0.309 0.000 0.758 288 E CB 1.931 31.425 29.700 -0.343 0.000 1.170 288 E HN 0.708 nan 8.360 nan 0.000 0.415 289 E N 3.476 123.320 120.200 -0.594 0.000 2.275 289 E HA 0.341 4.691 4.350 0.001 0.000 0.270 289 E C -1.386 175.045 176.600 -0.282 0.000 0.882 289 E CA -0.608 55.635 56.400 -0.262 0.000 0.758 289 E CB 1.336 31.016 29.700 -0.033 0.000 1.195 289 E HN 0.338 nan 8.360 nan 0.000 0.419 290 W N 2.486 123.899 121.300 0.188 0.000 2.736 290 W HA 0.633 5.293 4.660 0.001 0.000 0.335 290 W C -0.258 176.399 176.519 0.230 0.000 1.059 290 W CA -1.215 56.249 57.345 0.198 0.000 1.226 290 W CB 1.817 31.371 29.460 0.156 0.000 1.416 290 W HN 0.601 nan 8.180 nan 0.000 0.505 291 A N 3.315 126.347 122.820 0.354 0.000 2.401 291 A HA 0.515 4.836 4.320 0.001 0.000 0.259 291 A C -0.476 177.136 177.584 0.047 0.000 1.103 291 A CA -0.268 51.768 52.037 -0.001 0.000 0.789 291 A CB 0.355 19.321 19.000 -0.057 0.000 1.035 291 A HN 0.667 nan 8.150 nan 0.000 0.491 292 L N 3.296 124.467 121.223 -0.086 0.000 2.314 292 L HA 0.324 4.665 4.340 0.001 0.000 0.275 292 L C -0.151 176.732 176.870 0.022 0.000 1.068 292 L CA 0.050 54.799 54.840 -0.152 0.000 0.894 292 L CB 0.267 42.069 42.059 -0.429 0.000 1.275 292 L HN 0.730 nan 8.230 nan 0.000 0.432 293 D N 2.297 122.801 120.400 0.175 0.000 2.714 293 D HA 0.103 4.744 4.640 0.001 0.000 0.264 293 D C -0.462 175.943 176.300 0.175 0.000 1.231 293 D CA -0.362 53.735 54.000 0.162 0.000 0.802 293 D CB 0.838 41.697 40.800 0.099 0.000 1.319 293 D HN 0.336 nan 8.370 nan 0.000 0.528 294 N N 1.863 120.698 118.700 0.225 0.000 2.340 294 N HA 0.154 4.895 4.740 0.001 0.000 0.236 294 N C -2.187 173.371 175.510 0.081 0.000 1.296 294 N CA -0.525 52.592 53.050 0.111 0.000 0.896 294 N CB 0.370 38.902 38.487 0.075 0.000 1.127 294 N HN 0.278 nan 8.380 nan 0.000 0.442 295 P HA 0.146 nan 4.420 nan 0.000 0.268 295 P C 0.413 177.777 177.300 0.106 0.000 1.204 295 P CA 0.294 63.437 63.100 0.071 0.000 0.768 295 P CB 0.229 31.951 31.700 0.037 0.000 0.842 296 G N 2.538 111.392 108.800 0.091 0.000 2.710 296 G HA2 -0.189 3.772 3.960 0.001 0.000 0.668 296 G HA3 -0.189 3.772 3.960 0.001 0.000 0.668 296 G C -0.846 174.071 174.900 0.028 0.000 1.320 296 G CA -0.798 44.337 45.100 0.059 0.000 0.860 296 G HN 0.748 nan 8.290 nan 0.000 0.538 297 N N 0.540 119.242 118.700 0.004 0.000 2.430 297 N HA 0.376 5.117 4.740 0.001 0.000 0.265 297 N C -0.561 174.914 175.510 -0.058 0.000 1.100 297 N CA -0.218 52.826 53.050 -0.010 0.000 0.961 297 N CB 0.334 38.820 38.487 -0.001 0.000 1.075 297 N HN 0.493 nan 8.380 nan 0.000 0.478 298 D N 2.043 122.387 120.400 -0.094 0.000 2.253 298 D HA 0.254 4.895 4.640 0.001 0.000 0.249 298 D C -0.248 175.922 176.300 -0.217 0.000 1.049 298 D CA -0.188 53.624 54.000 -0.314 0.000 0.929 298 D CB 0.577 41.064 40.800 -0.522 0.000 1.176 298 D HN 0.423 nan 8.370 nan 0.000 0.437 299 F N -0.815 119.142 119.950 0.012 0.000 3.074 299 F HA -0.223 4.305 4.527 0.001 0.000 0.287 299 F C 0.711 176.527 175.800 0.026 0.000 0.932 299 F CA 0.299 58.292 58.000 -0.011 0.000 0.995 299 F CB -2.751 36.056 39.000 -0.321 0.000 0.966 299 F HN 0.250 nan 8.300 nan 0.000 0.721 300 T N -1.865 112.760 114.554 0.119 0.000 2.902 300 T HA 0.573 4.924 4.350 0.001 0.000 0.280 300 T C 0.531 175.306 174.700 0.124 0.000 0.992 300 T CA -0.947 61.217 62.100 0.107 0.000 1.015 300 T CB 1.697 70.596 68.868 0.052 0.000 1.044 300 T HN 0.566 nan 8.240 nan 0.000 0.520 301 R N 1.627 122.192 120.500 0.108 0.000 2.570 301 R HA 0.083 4.423 4.340 0.001 0.000 0.277 301 R C 0.556 176.894 176.300 0.063 0.000 1.039 301 R CA 0.500 56.655 56.100 0.091 0.000 1.065 301 R CB -0.505 29.844 30.300 0.082 0.000 0.964 301 R HN 1.020 nan 8.270 nan 0.000 0.428 302 N N 0.729 119.457 118.700 0.046 0.000 2.828 302 N HA -0.258 4.483 4.740 0.001 0.000 0.248 302 N C -0.816 174.717 175.510 0.039 0.000 1.044 302 N CA 0.947 54.018 53.050 0.034 0.000 0.851 302 N CB -0.187 38.323 38.487 0.040 0.000 1.136 302 N HN 0.864 nan 8.380 nan 0.000 0.572 303 Q N 1.268 121.095 119.800 0.045 0.000 2.288 303 Q HA 0.147 4.488 4.340 0.001 0.000 0.258 303 Q C -0.849 175.161 176.000 0.017 0.000 0.957 303 Q CA 0.067 55.883 55.803 0.021 0.000 0.919 303 Q CB 0.641 29.379 28.738 -0.000 0.000 1.185 303 Q HN 0.214 nan 8.270 nan 0.000 0.408 304 E N 2.083 122.292 120.200 0.014 0.000 2.197 304 E HA 0.527 4.878 4.350 0.001 0.000 0.281 304 E C -0.612 175.959 176.600 -0.048 0.000 0.995 304 E CA -0.550 55.868 56.400 0.030 0.000 0.808 304 E CB 1.560 31.336 29.700 0.127 0.000 1.093 304 E HN 0.693 nan 8.360 nan 0.000 0.394 305 G N 1.593 110.364 108.800 -0.049 0.000 2.638 305 G HA2 0.413 4.374 3.960 0.001 0.000 0.302 305 G HA3 0.413 4.374 3.960 0.001 0.000 0.302 305 G C -0.812 173.912 174.900 -0.295 0.000 1.365 305 G CA -0.375 44.574 45.100 -0.251 0.000 0.987 305 G HN 0.307 nan 8.290 nan 0.000 0.495 306 T N 1.017 115.268 114.554 -0.505 0.000 2.824 306 T HA 0.536 4.887 4.350 0.001 0.000 0.280 306 T C -1.416 172.915 174.700 -0.616 0.000 0.995 306 T CA 0.021 61.891 62.100 -0.383 0.000 1.009 306 T CB 0.819 69.535 68.868 -0.252 0.000 0.955 306 T HN 0.337 nan 8.240 nan 0.000 0.452 307 Y N 1.310 121.540 120.300 -0.117 0.000 2.488 307 Y HA 0.305 4.856 4.550 0.001 0.000 0.330 307 Y C 0.524 176.290 175.900 -0.224 0.000 1.013 307 Y CA -0.886 57.130 58.100 -0.140 0.000 1.304 307 Y CB 1.237 39.620 38.460 -0.128 0.000 1.098 307 Y HN 0.474 nan 8.280 nan 0.000 0.498 308 T N 5.655 120.157 114.554 -0.087 0.000 2.727 308 T HA 0.480 4.831 4.350 0.001 0.000 0.298 308 T C -0.199 174.393 174.700 -0.180 0.000 0.942 308 T CA -0.349 61.665 62.100 -0.144 0.000 0.997 308 T CB -0.131 68.675 68.868 -0.105 0.000 0.917 308 T HN 0.356 nan 8.240 nan 0.000 0.487 309 L N 3.426 124.437 121.223 -0.353 0.000 2.294 309 L HA 0.533 4.874 4.340 0.001 0.000 0.283 309 L C 0.192 176.869 176.870 -0.321 0.000 1.015 309 L CA -1.193 53.272 54.840 -0.625 0.000 0.831 309 L CB 1.132 42.271 42.059 -1.533 0.000 1.217 309 L HN 0.275 nan 8.230 nan 0.000 0.420 310 K N 3.018 123.446 120.400 0.047 0.000 2.339 310 K HA 0.402 4.723 4.320 0.001 0.000 0.286 310 K C -0.540 176.318 176.600 0.431 0.000 1.050 310 K CA 0.002 56.407 56.287 0.196 0.000 0.956 310 K CB 0.628 33.242 32.500 0.190 0.000 0.990 310 K HN 0.430 nan 8.250 nan 0.000 0.475 311 L N 3.492 124.913 121.223 0.329 0.000 2.397 311 L HA 0.113 4.454 4.340 0.001 0.000 0.271 311 L C 1.503 178.516 176.870 0.238 0.000 1.148 311 L CA 0.034 55.097 54.840 0.372 0.000 0.825 311 L CB 0.970 43.187 42.059 0.264 0.000 1.117 311 L HN 0.720 nan 8.230 nan 0.000 0.456 312 K N 0.915 121.425 120.400 0.184 0.000 2.202 312 K HA 0.047 4.368 4.320 0.001 0.000 0.201 312 K C 0.664 177.313 176.600 0.081 0.000 1.051 312 K CA 0.308 56.655 56.287 0.101 0.000 0.977 312 K CB -0.220 32.302 32.500 0.036 0.000 0.792 312 K HN 0.701 nan 8.250 nan 0.000 0.469 313 N N 0.895 119.645 118.700 0.083 0.000 2.439 313 N HA 0.077 4.818 4.740 0.001 0.000 0.249 313 N C -0.669 174.893 175.510 0.087 0.000 1.003 313 N CA -0.113 52.979 53.050 0.071 0.000 0.942 313 N CB 1.728 40.249 38.487 0.057 0.000 1.115 313 N HN 0.126 nan 8.380 nan 0.000 0.505 314 K N 2.312 122.760 120.400 0.081 0.000 2.551 314 K HA 0.105 4.426 4.320 0.001 0.000 0.204 314 K C 1.092 177.742 176.600 0.083 0.000 1.033 314 K CA 0.611 56.951 56.287 0.090 0.000 1.187 314 K CB -1.186 31.366 32.500 0.087 0.000 0.900 314 K HN 0.773 nan 8.250 nan 0.000 0.499 315 N N 0.034 118.779 118.700 0.074 0.000 2.234 315 N HA 0.047 4.788 4.740 0.001 0.000 0.227 315 N C 0.298 175.847 175.510 0.066 0.000 1.151 315 N CA -0.083 53.007 53.050 0.067 0.000 0.865 315 N CB 0.669 39.188 38.487 0.054 0.000 1.066 315 N HN 0.232 nan 8.380 nan 0.000 0.515 316 T N 1.293 115.892 114.554 0.074 0.000 2.727 316 T HA 0.285 4.636 4.350 0.001 0.000 0.298 316 T C 0.070 174.806 174.700 0.061 0.000 0.942 316 T CA -0.244 61.896 62.100 0.068 0.000 0.997 316 T CB 0.863 69.783 68.868 0.087 0.000 0.917 316 T HN 0.350 nan 8.240 nan 0.000 0.487 317 K N 1.311 121.737 120.400 0.045 0.000 2.127 317 K HA 0.265 4.586 4.320 0.001 0.000 0.240 317 K C 0.668 177.299 176.600 0.052 0.000 1.024 317 K CA -0.752 55.557 56.287 0.037 0.000 0.918 317 K CB 0.630 33.153 32.500 0.037 0.000 1.108 317 K HN 0.544 nan 8.250 nan 0.000 0.485 318 Y N 0.699 120.971 120.300 -0.046 0.000 2.337 318 Y HA -0.118 4.433 4.550 0.001 0.000 0.293 318 Y C 1.752 177.653 175.900 0.002 0.000 1.123 318 Y CA 1.519 59.604 58.100 -0.024 0.000 1.201 318 Y CB 0.133 38.564 38.460 -0.050 0.000 1.011 318 Y HN 0.530 nan 8.280 nan 0.000 0.545 319 S N 0.155 115.828 115.700 -0.045 0.000 2.507 319 S HA -0.141 4.330 4.470 0.001 0.000 0.235 319 S C 1.034 175.561 174.600 -0.122 0.000 0.988 319 S CA 1.169 59.312 58.200 -0.096 0.000 0.944 319 S CB -0.233 62.972 63.200 0.008 0.000 0.762 319 S HN 0.517 nan 8.310 nan 0.000 0.526 320 D N 1.021 121.361 120.400 -0.099 0.000 2.363 320 D HA 0.147 4.788 4.640 0.001 0.000 0.226 320 D C 0.172 176.416 176.300 -0.093 0.000 1.020 320 D CA 0.315 54.276 54.000 -0.065 0.000 0.892 320 D CB -0.020 40.770 40.800 -0.017 0.000 0.900 320 D HN 0.391 nan 8.370 nan 0.000 0.531 321 I N 1.347 121.796 120.570 -0.202 0.000 2.312 321 I HA 0.054 4.225 4.170 0.001 0.000 0.291 321 I C 1.630 177.654 176.117 -0.156 0.000 1.031 321 I CA -0.184 61.008 61.300 -0.180 0.000 1.293 321 I CB 1.680 39.521 38.000 -0.265 0.000 1.403 321 I HN -0.295 nan 8.210 nan 0.000 0.484 322 K N 4.691 125.060 120.400 -0.051 0.000 2.202 322 K HA 0.144 4.465 4.320 0.001 0.000 0.201 322 K C 0.154 176.770 176.600 0.026 0.000 1.051 322 K CA 0.794 57.070 56.287 -0.018 0.000 0.977 322 K CB 0.455 32.957 32.500 0.003 0.000 0.792 322 K HN 0.539 nan 8.250 nan 0.000 0.469 323 N N 0.088 118.838 118.700 0.084 0.000 2.229 323 N HA 0.338 5.079 4.740 0.001 0.000 0.298 323 N C -1.239 174.395 175.510 0.207 0.000 1.114 323 N CA -0.369 52.788 53.050 0.177 0.000 0.776 323 N CB 2.048 40.686 38.487 0.251 0.000 1.501 323 N HN 0.002 nan 8.380 nan 0.000 0.474 324 M N 1.066 120.795 119.600 0.216 0.000 2.433 324 M HA 0.537 5.018 4.480 0.001 0.000 0.290 324 M C -1.739 174.668 176.300 0.178 0.000 1.173 324 M CA -0.716 54.588 55.300 0.007 0.000 0.905 324 M CB 2.637 35.252 32.600 0.024 0.000 1.692 324 M HN 0.727 nan 8.290 nan 0.000 0.462 325 W N 2.359 123.528 121.300 -0.218 0.000 3.025 325 W HA 0.825 5.486 4.660 0.001 0.000 0.343 325 W C -2.502 173.995 176.519 -0.037 0.000 1.246 325 W CA -0.825 56.483 57.345 -0.060 0.000 1.178 325 W CB 0.525 29.967 29.460 -0.031 0.000 1.463 325 W HN 0.432 nan 8.180 nan 0.000 0.578 326 I N 2.542 123.345 120.570 0.388 0.000 2.418 326 I HA 0.396 4.567 4.170 0.001 0.000 0.287 326 I C -0.083 176.321 176.117 0.477 0.000 1.008 326 I CA -1.129 60.392 61.300 0.369 0.000 1.104 326 I CB 1.829 40.060 38.000 0.384 0.000 1.264 326 I HN 0.509 nan 8.210 nan 0.000 0.438 327 R N 4.155 124.942 120.500 0.480 0.000 2.265 327 R HA 0.278 4.619 4.340 0.001 0.000 0.319 327 R C -1.041 175.469 176.300 0.350 0.000 1.006 327 R CA -0.517 55.830 56.100 0.412 0.000 0.880 327 R CB 0.855 31.389 30.300 0.390 0.000 1.077 327 R HN 0.492 nan 8.270 nan 0.000 0.454 328 D N 2.948 123.509 120.400 0.269 0.000 2.303 328 D HA 0.161 4.802 4.640 0.001 0.000 0.236 328 D C -0.913 175.513 176.300 0.209 0.000 1.068 328 D CA -0.186 53.934 54.000 0.201 0.000 0.830 328 D CB 1.265 42.183 40.800 0.198 0.000 1.109 328 D HN 0.353 nan 8.370 nan 0.000 0.496 329 E N 2.153 122.504 120.200 0.253 0.000 2.238 329 E HA 0.278 4.629 4.350 0.001 0.000 0.267 329 E C -0.236 176.503 176.600 0.231 0.000 0.887 329 E CA -0.682 55.871 56.400 0.254 0.000 0.769 329 E CB 1.903 31.799 29.700 0.327 0.000 1.187 329 E HN 0.308 nan 8.360 nan 0.000 0.416 330 K N 2.035 122.536 120.400 0.169 0.000 2.355 330 K HA 0.129 4.449 4.320 0.001 0.000 0.270 330 K C 1.095 177.761 176.600 0.110 0.000 1.003 330 K CA -0.164 56.186 56.287 0.106 0.000 0.957 330 K CB 1.057 33.609 32.500 0.086 0.000 0.939 330 K HN 0.354 nan 8.250 nan 0.000 0.482 331 L N 1.038 122.247 121.223 -0.022 0.000 2.249 331 L HA -0.016 4.324 4.340 0.001 0.000 0.207 331 L C 0.494 177.378 176.870 0.024 0.000 1.090 331 L CA 1.306 56.099 54.840 -0.078 0.000 0.802 331 L CB 0.437 42.367 42.059 -0.215 0.000 0.947 331 L HN 0.745 nan 8.230 nan 0.000 0.453 332 T N -2.167 112.401 114.554 0.022 0.000 2.645 332 T HA 0.171 4.522 4.350 0.001 0.000 0.273 332 T C 0.445 175.167 174.700 0.036 0.000 0.960 332 T CA -0.122 61.994 62.100 0.027 0.000 1.051 332 T CB 1.735 70.610 68.868 0.011 0.000 1.366 332 T HN -0.099 nan 8.240 nan 0.000 0.536 333 V N -0.593 119.339 119.914 0.030 0.000 3.563 333 V HA 0.558 4.679 4.120 0.001 0.000 0.299 333 V C 1.289 177.399 176.094 0.026 0.000 1.290 333 V CA 0.744 63.061 62.300 0.029 0.000 1.201 333 V CB -1.063 30.775 31.823 0.024 0.000 1.045 333 V HN 0.794 nan 8.190 nan 0.000 0.425 334 A N -1.118 121.717 122.820 0.025 0.000 2.348 334 A HA 0.383 4.703 4.320 0.001 0.000 0.224 334 A C 1.567 179.168 177.584 0.028 0.000 1.227 334 A CA 0.866 52.916 52.037 0.022 0.000 0.885 334 A CB -0.138 18.872 19.000 0.017 0.000 0.933 334 A HN 0.653 nan 8.150 nan 0.000 0.506 335 T N -0.786 113.791 114.554 0.039 0.000 13.097 335 T HA -0.301 4.050 4.350 0.001 0.000 0.418 335 T C 0.504 175.248 174.700 0.074 0.000 1.446 335 T CA 1.815 63.949 62.100 0.056 0.000 2.371 335 T CB -1.632 67.263 68.868 0.044 0.000 2.810 335 T HN 0.790 nan 8.240 nan 0.000 0.655 336 D N 2.544 122.985 120.400 0.068 0.000 2.803 336 D HA -0.077 4.564 4.640 0.001 0.000 0.233 336 D C 0.459 176.865 176.300 0.176 0.000 1.182 336 D CA 1.415 55.472 54.000 0.094 0.000 0.726 336 D CB -1.250 39.580 40.800 0.051 0.000 0.987 336 D HN 1.068 nan 8.370 nan 0.000 0.412 337 G N 0.822 109.751 108.800 0.215 0.000 2.287 337 G HA2 0.140 4.100 3.960 0.001 0.000 0.235 337 G HA3 0.140 4.100 3.960 0.001 0.000 0.235 337 G C -0.253 174.996 174.900 0.581 0.000 1.258 337 G CA -0.031 45.301 45.100 0.387 0.000 0.884 337 G HN 0.368 nan 8.290 nan 0.000 0.518 338 W N 3.484 124.948 121.300 0.274 0.000 2.532 338 W HA 0.561 5.221 4.660 0.001 0.000 0.321 338 W C -0.425 176.011 176.519 -0.137 0.000 1.037 338 W CA -1.721 55.662 57.345 0.064 0.000 1.220 338 W CB 1.471 30.900 29.460 -0.051 0.000 1.361 338 W HN 0.247 nan 8.180 nan 0.000 0.468 339 K N 8.786 128.816 120.400 -0.617 0.000 2.414 339 K HA 0.324 4.645 4.320 0.001 0.000 0.251 339 K C -2.597 173.425 176.600 -0.963 0.000 1.037 339 K CA -1.805 53.818 56.287 -1.107 0.000 0.980 339 K CB 1.396 32.870 32.500 -1.709 0.000 1.280 339 K HN 0.210 nan 8.250 nan 0.000 0.451 340 P HA 0.200 nan 4.420 nan 0.000 0.282 340 P C 0.187 177.152 177.300 -0.557 0.000 1.249 340 P CA -0.273 62.284 63.100 -0.905 0.000 0.806 340 P CB 1.484 32.444 31.700 -1.233 0.000 0.984 341 S N 1.376 116.834 115.700 -0.403 0.000 2.348 341 S HA 0.034 4.504 4.470 0.001 0.000 0.219 341 S C 0.422 174.946 174.600 -0.128 0.000 1.033 341 S CA 1.259 59.305 58.200 -0.257 0.000 0.974 341 S CB -0.629 62.434 63.200 -0.228 0.000 0.868 341 S HN 0.721 nan 8.310 nan 0.000 0.459 342 Y N -1.638 118.604 120.300 -0.098 0.000 2.670 342 Y HA 0.755 5.306 4.550 0.001 0.000 0.334 342 Y C -1.651 174.244 175.900 -0.009 0.000 1.185 342 Y CA -1.873 56.197 58.100 -0.049 0.000 1.053 342 Y CB 0.898 39.361 38.460 0.006 0.000 1.298 342 Y HN -0.212 nan 8.280 nan 0.000 0.459 343 V N 2.001 122.126 119.914 0.352 0.000 2.569 343 V HA 0.487 4.608 4.120 0.001 0.000 0.301 343 V C -0.812 175.428 176.094 0.243 0.000 1.044 343 V CA -1.154 61.332 62.300 0.310 0.000 0.874 343 V CB 1.580 33.535 31.823 0.221 0.000 1.002 343 V HN 0.749 nan 8.190 nan 0.000 0.424 344 K N 2.987 123.507 120.400 0.200 0.000 2.203 344 K HA 0.876 5.197 4.320 0.001 0.000 0.251 344 K C -1.281 175.326 176.600 0.012 0.000 0.944 344 K CA -0.754 55.563 56.287 0.050 0.000 0.829 344 K CB 2.573 35.043 32.500 -0.051 0.000 1.125 344 K HN 0.451 nan 8.250 nan 0.000 0.430 345 V N 3.908 123.811 119.914 -0.018 0.000 2.577 345 V HA 0.432 4.553 4.120 0.001 0.000 0.303 345 V C -0.540 175.492 176.094 -0.104 0.000 1.042 345 V CA -0.825 61.436 62.300 -0.065 0.000 0.872 345 V CB 1.565 33.402 31.823 0.023 0.000 0.998 345 V HN 0.654 nan 8.190 nan 0.000 0.423 346 I N 3.611 124.097 120.570 -0.140 0.000 2.412 346 I HA 0.815 4.986 4.170 0.001 0.000 0.296 346 I C 0.234 176.266 176.117 -0.141 0.000 0.987 346 I CA -0.427 60.783 61.300 -0.150 0.000 1.180 346 I CB 1.894 39.807 38.000 -0.145 0.000 1.340 346 I HN 0.744 nan 8.210 nan 0.000 0.455 347 A N 4.439 127.158 122.820 -0.169 0.000 2.374 347 A HA 0.786 5.106 4.320 0.001 0.000 0.305 347 A C 0.292 177.780 177.584 -0.159 0.000 1.053 347 A CA 0.108 52.066 52.037 -0.132 0.000 0.726 347 A CB 1.185 20.140 19.000 -0.076 0.000 1.229 347 A HN 1.041 nan 8.150 nan 0.000 0.431 348 G N 1.898 110.631 108.800 -0.112 0.000 2.622 348 G HA2 -0.308 3.653 3.960 0.001 0.000 0.307 348 G HA3 -0.308 3.653 3.960 0.001 0.000 0.307 348 G C 0.213 175.157 174.900 0.073 0.000 1.226 348 G CA 0.930 45.992 45.100 -0.063 0.000 0.997 348 G HN 0.783 nan 8.290 nan 0.000 0.551 349 D N 1.766 122.227 120.400 0.101 0.000 2.340 349 D HA 0.248 4.889 4.640 0.001 0.000 0.217 349 D C 1.072 177.347 176.300 -0.042 0.000 1.081 349 D CA 1.214 55.284 54.000 0.116 0.000 0.842 349 D CB 0.253 41.172 40.800 0.198 0.000 0.934 349 D HN 0.819 nan 8.370 nan 0.000 0.511 350 K N -1.291 119.054 120.400 -0.091 0.000 2.532 350 K HA 0.396 4.717 4.320 0.001 0.000 0.265 350 K C -1.075 175.427 176.600 -0.163 0.000 0.948 350 K CA -0.831 55.378 56.287 -0.130 0.000 0.842 350 K CB 1.825 34.249 32.500 -0.128 0.000 1.392 350 K HN -0.317 nan 8.250 nan 0.000 0.436 351 V N 4.340 124.170 119.914 -0.141 0.000 2.403 351 V HA 0.056 4.177 4.120 0.001 0.000 0.265 351 V C 1.041 177.041 176.094 -0.155 0.000 1.034 351 V CA -0.347 61.869 62.300 -0.139 0.000 1.036 351 V CB 0.264 32.023 31.823 -0.107 0.000 1.032 351 V HN 0.705 nan 8.190 nan 0.000 0.478 352 R N 3.524 123.901 120.500 -0.204 0.000 2.200 352 R HA 0.258 4.599 4.340 0.001 0.000 0.208 352 R C 0.045 176.312 176.300 -0.054 0.000 1.033 352 R CA 0.433 56.392 56.100 -0.235 0.000 1.000 352 R CB -0.284 29.728 30.300 -0.480 0.000 0.906 352 R HN 0.558 nan 8.270 nan 0.000 0.462 353 L N 0.417 121.629 121.223 -0.018 0.000 2.543 353 L HA 0.302 4.643 4.340 0.001 0.000 0.265 353 L C -1.542 175.343 176.870 0.025 0.000 0.945 353 L CA -0.135 54.731 54.840 0.043 0.000 0.869 353 L CB 2.339 44.466 42.059 0.114 0.000 1.294 353 L HN -0.063 nan 8.230 nan 0.000 0.405 354 E N 4.893 125.107 120.200 0.024 0.000 2.437 354 E HA 0.277 4.628 4.350 0.001 0.000 0.238 354 E C -1.176 175.450 176.600 0.044 0.000 0.969 354 E CA -0.527 55.875 56.400 0.004 0.000 0.759 354 E CB 1.457 31.137 29.700 -0.035 0.000 1.283 354 E HN 0.287 nan 8.360 nan 0.000 0.416 355 K N 2.686 123.140 120.400 0.090 0.000 2.281 355 K HA 0.267 4.588 4.320 0.001 0.000 0.272 355 K C -0.633 176.038 176.600 0.119 0.000 1.048 355 K CA -0.661 55.694 56.287 0.113 0.000 0.898 355 K CB 0.723 33.320 32.500 0.161 0.000 1.128 355 K HN 0.341 nan 8.250 nan 0.000 0.460 356 N N 4.324 123.080 118.700 0.093 0.000 2.442 356 N HA 0.140 4.880 4.740 0.001 0.000 0.265 356 N C -0.203 175.329 175.510 0.038 0.000 1.138 356 N CA 0.162 53.261 53.050 0.083 0.000 0.956 356 N CB 0.729 39.254 38.487 0.062 0.000 1.067 356 N HN 0.407 nan 8.380 nan 0.000 0.474 357 I N 1.997 122.542 120.570 -0.041 0.000 2.353 357 I HA 0.170 4.341 4.170 0.001 0.000 0.293 357 I C 0.969 176.996 176.117 -0.150 0.000 0.992 357 I CA -0.321 60.902 61.300 -0.129 0.000 1.268 357 I CB 1.018 38.794 38.000 -0.373 0.000 1.387 357 I HN 0.444 nan 8.210 nan 0.000 0.478 358 N N 3.173 121.823 118.700 -0.083 0.000 2.273 358 N HA 0.017 4.757 4.740 0.001 0.000 0.192 358 N C -0.268 175.194 175.510 -0.079 0.000 1.132 358 N CA -0.216 52.790 53.050 -0.073 0.000 0.887 358 N CB 0.536 39.021 38.487 -0.003 0.000 1.048 358 N HN 0.648 nan 8.380 nan 0.000 0.490 359 E N 0.219 120.385 120.200 -0.055 0.000 2.227 359 E HA 0.152 4.503 4.350 0.001 0.000 0.268 359 E C -0.984 175.570 176.600 -0.077 0.000 0.990 359 E CA -0.767 55.651 56.400 0.029 0.000 0.856 359 E CB 1.001 30.789 29.700 0.146 0.000 1.159 359 E HN 0.007 nan 8.360 nan 0.000 0.401 360 W N 0.971 122.252 121.300 -0.031 0.000 2.126 360 W HA 0.342 5.003 4.660 0.001 0.000 0.346 360 W C 0.135 176.658 176.519 0.006 0.000 1.279 360 W CA -0.197 57.126 57.345 -0.036 0.000 1.259 360 W CB 0.464 29.926 29.460 0.003 0.000 1.133 360 W HN 0.345 nan 8.180 nan 0.000 0.592 361 I N 2.672 123.395 120.570 0.255 0.000 2.439 361 I HA 0.162 4.333 4.170 0.001 0.000 0.283 361 I C -0.113 176.180 176.117 0.294 0.000 1.023 361 I CA -0.554 60.893 61.300 0.244 0.000 1.100 361 I CB 1.172 39.289 38.000 0.196 0.000 1.238 361 I HN 0.211 nan 8.210 nan 0.000 0.445 362 S N 3.350 119.190 115.700 0.234 0.000 2.632 362 S HA 0.414 4.885 4.470 0.001 0.000 0.267 362 S C 0.535 175.237 174.600 0.170 0.000 1.276 362 S CA -0.590 57.722 58.200 0.186 0.000 0.998 362 S CB 1.353 64.632 63.200 0.132 0.000 0.953 362 S HN 0.758 nan 8.310 nan 0.000 0.547 363 G N -0.448 108.432 108.800 0.135 0.000 2.398 363 G HA2 0.429 4.390 3.960 0.001 0.000 0.246 363 G HA3 0.429 4.390 3.960 0.001 0.000 0.246 363 G C 0.968 175.931 174.900 0.106 0.000 1.289 363 G CA 0.055 45.224 45.100 0.115 0.000 0.869 363 G HN 1.436 nan 8.290 nan 0.000 0.543 364 G N 0.677 109.545 108.800 0.113 0.000 2.131 364 G HA2 -0.010 3.951 3.960 0.001 0.000 0.223 364 G HA3 -0.010 3.951 3.960 0.001 0.000 0.223 364 G C 0.434 175.386 174.900 0.086 0.000 0.990 364 G CA 1.005 46.160 45.100 0.090 0.000 0.671 364 G HN 1.883 nan 8.290 nan 0.000 0.521 365 T N -2.791 111.833 114.554 0.117 0.000 2.907 365 T HA 0.750 5.101 4.350 0.001 0.000 0.290 365 T C -0.496 174.292 174.700 0.146 0.000 1.066 365 T CA 0.016 62.184 62.100 0.114 0.000 1.012 365 T CB 2.664 71.612 68.868 0.133 0.000 1.184 365 T HN 0.388 nan 8.240 nan 0.000 0.522 366 T N 2.086 116.710 114.554 0.117 0.000 2.791 366 T HA 0.388 4.739 4.350 0.001 0.000 0.288 366 T C -1.582 173.230 174.700 0.188 0.000 0.999 366 T CA -0.364 61.825 62.100 0.148 0.000 0.952 366 T CB 0.232 69.092 68.868 -0.014 0.000 0.938 366 T HN 0.598 nan 8.240 nan 0.000 0.444 367 Y N 3.212 123.611 120.300 0.165 0.000 2.327 367 Y HA 0.372 4.923 4.550 0.001 0.000 0.336 367 Y C 0.521 176.527 175.900 0.176 0.000 1.035 367 Y CA -0.273 57.912 58.100 0.142 0.000 1.165 367 Y CB 0.686 39.227 38.460 0.135 0.000 1.181 367 Y HN 0.486 nan 8.280 nan 0.000 0.494 368 T N 7.797 122.247 114.554 -0.174 0.000 2.817 368 T HA 0.233 4.584 4.350 0.001 0.000 0.293 368 T C 1.182 175.898 174.700 0.027 0.000 0.964 368 T CA -0.325 61.771 62.100 -0.007 0.000 1.085 368 T CB 0.734 69.556 68.868 -0.077 0.000 0.921 368 T HN 0.748 nan 8.240 nan 0.000 0.502 369 L N 1.898 123.244 121.223 0.205 0.000 2.357 369 L HA 0.386 4.727 4.340 0.001 0.000 0.211 369 L C 1.110 178.075 176.870 0.159 0.000 1.075 369 L CA 0.549 55.529 54.840 0.234 0.000 0.830 369 L CB 0.081 42.307 42.059 0.278 0.000 0.996 369 L HN 0.464 nan 8.230 nan 0.000 0.467 370 K N 0.000 120.483 120.400 0.138 0.000 2.780 370 K HA 0.000 4.321 4.320 0.001 0.000 0.191 370 K CA 0.000 56.351 56.287 0.106 0.000 0.838 370 K CB 0.000 32.569 32.500 0.115 0.000 1.064 370 K HN 0.000 nan 8.250 nan 0.000 0.543