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 3fw8_1_A DATA FIRST_RESID 26 DATA SEQUENCE DLLScLTFNG VRNHTVFSAD SDSDFNRFLH LSIQNPLFQN SLISKPSAII DATA SEQUENCE LPGSKEELSN TIRcIRKGSW TIRLRSGGHS YEGLSYTSDT PFILIDLMNL DATA SEQUENCE NRVSIDLESE TAWVESGSTL GELYYAITES SSKLGFTAGW APTVGTGGHI DATA SEQUENCE SGGGFGMMSR KYGLAADNVV DAILIDANGA ILDRQAMGED VFWAIRGGGG DATA SEQUENCE GVWGAIYAWK IKLLPVPEKV TVFRVTKNVA IDEATSLLHK WQFVAEELEE DATA SEQUENCE DFTLSVLGGA DEKQVWLTML GFHFGLKTVA KSTFDLLFPE LGLVEEDYLE DATA SEQUENCE MSWGESFAYL AGLETVSQLN NRFLKFDERA FKTKVDLTKE PLPSKAFYGL DATA SEQUENCE LERLSKEPNG FIALNGFGGQ MSKISSDFTP FPHRSGTRLM VEYIVAWNQS DATA SEQUENCE EQKKKTEFLD WLEKVYEFMK PFVSKNPRLG YVNHIDLDLG GIDWGNKTVV DATA SEQUENCE NNAIEISRSW GESYFLSNYE RLIRAKTLID PNNVFNHPQS IPPMA 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.329 176.300 0.048 0.000 2.045 26 D CA 0.000 54.027 54.000 0.045 0.000 0.868 26 D CB 0.000 40.835 40.800 0.058 0.000 0.688 27 L N 1.824 123.096 121.223 0.083 0.000 2.042 27 L HA 0.047 4.378 4.340 -0.015 0.000 0.210 27 L C 2.009 178.841 176.870 -0.063 0.000 1.076 27 L CA 1.762 56.623 54.840 0.036 0.000 0.749 27 L CB -0.674 41.389 42.059 0.006 0.000 0.893 27 L HN 0.120 nan 8.230 nan 0.000 0.432 28 L N -1.232 119.927 121.223 -0.106 0.000 2.046 28 L HA -0.183 4.149 4.340 -0.015 0.000 0.208 28 L C 2.463 179.290 176.870 -0.072 0.000 1.077 28 L CA 1.301 56.022 54.840 -0.199 0.000 0.747 28 L CB -0.756 41.191 42.059 -0.188 0.000 0.896 28 L HN 0.231 nan 8.230 nan 0.000 0.432 29 S N -0.873 114.820 115.700 -0.011 0.000 2.368 29 S HA -0.247 4.214 4.470 -0.015 0.000 0.225 29 S C 2.152 176.791 174.600 0.066 0.000 1.030 29 S CA 1.489 59.709 58.200 0.033 0.000 0.999 29 S CB -0.646 62.565 63.200 0.018 0.000 0.844 29 S HN 0.564 nan 8.310 nan 0.000 0.459 30 c N 1.815 120.439 118.600 0.040 0.000 2.432 30 c HA 0.017 4.579 4.570 -0.015 0.000 0.277 30 c C 2.459 176.620 174.090 0.118 0.000 1.249 30 c CA 0.576 56.950 56.329 0.074 0.000 1.725 30 c CB -1.599 40.936 42.510 0.042 0.000 2.028 30 c HN 0.569 nan 8.230 nan 0.000 0.477 31 L N 0.330 121.582 121.223 0.049 0.000 2.046 31 L HA -0.131 4.201 4.340 -0.015 0.000 0.208 31 L C 2.782 179.714 176.870 0.103 0.000 1.077 31 L CA 2.140 57.013 54.840 0.054 0.000 0.747 31 L CB -1.156 40.890 42.059 -0.021 0.000 0.896 31 L HN 0.353 nan 8.230 nan 0.000 0.432 32 T N -0.203 114.420 114.554 0.115 0.000 2.708 32 T HA -0.242 4.100 4.350 -0.015 0.000 0.266 32 T C 1.633 176.409 174.700 0.127 0.000 1.037 32 T CA 1.541 63.719 62.100 0.129 0.000 1.146 32 T CB -0.438 68.507 68.868 0.129 0.000 0.865 32 T HN 0.225 nan 8.240 nan 0.000 0.435 33 F N 2.451 122.413 119.950 0.020 0.000 2.202 33 F HA -0.069 4.449 4.527 -0.014 0.000 0.301 33 F C 1.831 177.638 175.800 0.011 0.000 1.082 33 F CA 1.043 59.051 58.000 0.014 0.000 1.313 33 F CB -0.242 38.764 39.000 0.010 0.000 1.024 33 F HN 0.117 nan 8.300 nan 0.000 0.495 34 N N -0.244 118.506 118.700 0.084 0.000 2.280 34 N HA 0.121 4.852 4.740 -0.015 0.000 0.192 34 N C 1.233 176.726 175.510 -0.028 0.000 1.109 34 N CA 0.861 53.913 53.050 0.002 0.000 0.855 34 N CB 0.415 38.955 38.487 0.088 0.000 0.974 34 N HN 0.394 nan 8.380 nan 0.000 0.482 35 G N 0.839 109.629 108.800 -0.018 0.000 2.137 35 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.237 35 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.237 35 G C -0.108 174.801 174.900 0.015 0.000 1.002 35 G CA -0.081 45.010 45.100 -0.016 0.000 0.702 35 G HN 0.155 nan 8.290 nan 0.000 0.515 36 V N 0.302 120.247 119.914 0.052 0.000 2.348 36 V HA 0.460 4.572 4.120 -0.015 0.000 0.270 36 V C 1.297 177.477 176.094 0.143 0.000 1.037 36 V CA -0.089 62.257 62.300 0.076 0.000 0.872 36 V CB 1.153 33.026 31.823 0.083 0.000 1.002 36 V HN 0.419 nan 8.190 nan 0.000 0.464 37 R N 2.265 122.799 120.500 0.058 0.000 2.344 37 R HA 0.180 4.512 4.340 -0.015 0.000 0.209 37 R C 0.806 176.943 176.300 -0.271 0.000 0.886 37 R CA -0.183 55.892 56.100 -0.042 0.000 1.040 37 R CB 0.309 30.581 30.300 -0.047 0.000 1.114 37 R HN 0.534 nan 8.270 nan 0.000 0.547 38 N N 2.025 120.644 118.700 -0.136 0.000 2.663 38 N HA 0.007 4.738 4.740 -0.015 0.000 0.250 38 N C -1.502 173.947 175.510 -0.101 0.000 1.129 38 N CA 0.042 52.992 53.050 -0.167 0.000 0.995 38 N CB 0.074 38.497 38.487 -0.107 0.000 1.324 38 N HN 0.269 nan 8.380 nan 0.000 0.512 39 H N -1.256 117.823 119.070 0.015 0.000 3.012 39 H HA 0.612 5.159 4.556 -0.014 0.000 0.367 39 H C -1.177 174.205 175.328 0.089 0.000 1.211 39 H CA -0.825 55.240 56.048 0.029 0.000 1.139 39 H CB 1.015 30.782 29.762 0.008 0.000 1.838 39 H HN -0.041 nan 8.280 nan 0.000 0.550 40 T N 2.087 116.823 114.554 0.303 0.000 2.991 40 T HA 0.450 4.791 4.350 -0.015 0.000 0.303 40 T C -0.169 174.713 174.700 0.303 0.000 1.015 40 T CA -0.687 61.601 62.100 0.313 0.000 1.007 40 T CB 1.250 70.363 68.868 0.409 0.000 1.034 40 T HN 0.816 nan 8.240 nan 0.000 0.446 41 V N 1.578 121.593 119.914 0.169 0.000 2.953 41 V HA 0.700 4.811 4.120 -0.015 0.000 0.304 41 V C 0.383 176.333 176.094 -0.240 0.000 1.073 41 V CA -1.098 61.220 62.300 0.029 0.000 1.064 41 V CB 0.311 32.137 31.823 0.004 0.000 1.047 41 V HN 0.772 nan 8.190 nan 0.000 0.478 42 F N 2.998 122.535 119.950 -0.687 0.000 2.635 42 F HA 0.365 4.884 4.527 -0.015 0.000 0.379 42 F C 0.665 175.979 175.800 -0.810 0.000 1.094 42 F CA 1.471 58.625 58.000 -1.411 0.000 1.300 42 F CB 0.363 38.908 39.000 -0.759 0.000 1.035 42 F HN 0.913 nan 8.300 nan 0.000 0.581 43 S N 4.278 118.943 115.700 -1.726 0.000 2.547 43 S HA 0.680 5.142 4.470 -0.015 0.000 0.281 43 S C 0.317 174.245 174.600 -1.121 0.000 1.118 43 S CA -0.294 57.320 58.200 -0.977 0.000 0.947 43 S CB 1.523 64.480 63.200 -0.404 0.000 1.053 43 S HN 1.030 nan 8.310 nan 0.000 0.482 44 A N 2.642 125.090 122.820 -0.619 0.000 2.119 44 A HA 0.155 4.466 4.320 -0.015 0.000 0.216 44 A C 0.756 178.251 177.584 -0.148 0.000 1.152 44 A CA 0.547 52.418 52.037 -0.276 0.000 0.708 44 A CB -0.509 18.486 19.000 -0.007 0.000 0.805 44 A HN 0.809 nan 8.150 nan 0.000 0.460 45 D N 0.572 120.881 120.400 -0.153 0.000 2.389 45 D HA 0.110 4.741 4.640 -0.015 0.000 0.263 45 D C 1.431 177.691 176.300 -0.066 0.000 1.255 45 D CA 0.763 54.712 54.000 -0.086 0.000 0.914 45 D CB 0.680 41.431 40.800 -0.082 0.000 1.116 45 D HN 0.281 nan 8.370 nan 0.000 0.502 46 S N 2.256 117.931 115.700 -0.041 0.000 2.469 46 S HA -0.204 4.257 4.470 -0.015 0.000 0.238 46 S C 0.701 175.269 174.600 -0.053 0.000 0.998 46 S CA 0.901 59.082 58.200 -0.031 0.000 0.957 46 S CB -0.067 63.115 63.200 -0.029 0.000 0.764 46 S HN 0.542 nan 8.310 nan 0.000 0.514 47 D N 1.747 122.110 120.400 -0.061 0.000 2.395 47 D HA 0.166 4.797 4.640 -0.015 0.000 0.213 47 D C 0.554 176.801 176.300 -0.088 0.000 1.110 47 D CA 0.139 54.093 54.000 -0.077 0.000 0.835 47 D CB 0.321 41.080 40.800 -0.069 0.000 0.965 47 D HN 0.486 nan 8.370 nan 0.000 0.505 48 S N 0.216 115.873 115.700 -0.072 0.000 2.573 48 S HA -0.026 4.435 4.470 -0.015 0.000 0.277 48 S C 0.990 175.515 174.600 -0.124 0.000 1.346 48 S CA -0.454 57.702 58.200 -0.073 0.000 1.034 48 S CB 1.218 64.394 63.200 -0.041 0.000 0.879 48 S HN -0.009 nan 8.310 nan 0.000 0.528 49 D N 0.591 120.887 120.400 -0.172 0.000 2.178 49 D HA -0.113 4.519 4.640 -0.015 0.000 0.201 49 D C 1.372 177.428 176.300 -0.407 0.000 0.980 49 D CA 1.132 54.890 54.000 -0.403 0.000 0.842 49 D CB -0.291 40.291 40.800 -0.364 0.000 0.948 49 D HN 0.670 nan 8.370 nan 0.000 0.472 50 F N 2.520 122.341 119.950 -0.215 0.000 2.069 50 F HA -0.214 4.304 4.527 -0.014 0.000 0.298 50 F C 1.966 177.731 175.800 -0.058 0.000 1.113 50 F CA 1.386 59.342 58.000 -0.074 0.000 1.214 50 F CB -0.264 38.679 39.000 -0.096 0.000 0.978 50 F HN -0.178 nan 8.300 nan 0.000 0.474 51 N N 0.511 119.194 118.700 -0.030 0.000 2.166 51 N HA -0.184 4.548 4.740 -0.015 0.000 0.186 51 N C 2.058 177.542 175.510 -0.043 0.000 1.019 51 N CA 1.200 54.231 53.050 -0.032 0.000 0.856 51 N CB -0.509 38.044 38.487 0.110 0.000 0.993 51 N HN 0.388 nan 8.380 nan 0.000 0.426 52 R N -0.080 120.314 120.500 -0.176 0.000 2.073 52 R HA -0.080 4.251 4.340 -0.015 0.000 0.234 52 R C 1.782 177.989 176.300 -0.155 0.000 1.134 52 R CA 1.285 57.256 56.100 -0.215 0.000 0.952 52 R CB -0.219 29.863 30.300 -0.363 0.000 0.850 52 R HN 0.030 nan 8.270 nan 0.000 0.433 53 F N 0.732 120.582 119.950 -0.166 0.000 2.134 53 F HA -0.153 4.365 4.527 -0.015 0.000 0.299 53 F C 2.104 177.760 175.800 -0.240 0.000 1.097 53 F CA 0.689 58.578 58.000 -0.185 0.000 1.264 53 F CB -1.037 37.866 39.000 -0.161 0.000 1.001 53 F HN 0.109 nan 8.300 nan 0.000 0.479 54 L N -0.221 120.886 121.223 -0.193 0.000 2.012 54 L HA -0.238 4.094 4.340 -0.015 0.000 0.210 54 L C 2.468 179.137 176.870 -0.336 0.000 1.073 54 L CA 2.125 56.759 54.840 -0.344 0.000 0.748 54 L CB -1.034 40.689 42.059 -0.560 0.000 0.891 54 L HN 0.207 nan 8.230 nan 0.000 0.431 55 H N -1.154 117.812 119.070 -0.173 0.000 2.535 55 H HA 0.044 4.591 4.556 -0.015 0.000 0.273 55 H C 2.358 177.595 175.328 -0.151 0.000 0.983 55 H CA 0.889 56.841 56.048 -0.160 0.000 1.238 55 H CB 0.188 29.873 29.762 -0.128 0.000 1.412 55 H HN 0.354 nan 8.280 nan 0.000 0.562 56 L N 0.317 121.505 121.223 -0.059 0.000 2.051 56 L HA -0.174 4.157 4.340 -0.015 0.000 0.214 56 L C 1.158 178.030 176.870 0.003 0.000 1.076 56 L CA 1.357 56.104 54.840 -0.155 0.000 0.758 56 L CB -0.038 41.864 42.059 -0.261 0.000 0.890 56 L HN 0.074 nan 8.230 nan 0.000 0.433 57 S N -0.882 114.830 115.700 0.020 0.000 2.651 57 S HA 0.350 4.812 4.470 -0.015 0.000 0.246 57 S C 0.296 174.826 174.600 -0.118 0.000 1.039 57 S CA -0.393 57.849 58.200 0.070 0.000 1.013 57 S CB 0.242 63.520 63.200 0.130 0.000 0.861 57 S HN 0.116 nan 8.310 nan 0.000 0.485 58 I N 2.684 123.121 120.570 -0.222 0.000 2.322 58 I HA 0.150 4.311 4.170 -0.015 0.000 0.292 58 I C 0.998 177.081 176.117 -0.055 0.000 1.060 58 I CA -0.120 60.969 61.300 -0.351 0.000 1.309 58 I CB 0.976 38.725 38.000 -0.418 0.000 1.415 58 I HN 0.128 nan 8.210 nan 0.000 0.492 59 Q N 3.596 123.412 119.800 0.027 0.000 2.356 59 Q HA 0.139 4.470 4.340 -0.015 0.000 0.205 59 Q C -0.013 176.183 176.000 0.326 0.000 0.901 59 Q CA 0.252 56.112 55.803 0.096 0.000 0.938 59 Q CB 0.216 28.772 28.738 -0.304 0.000 1.081 59 Q HN 0.505 nan 8.270 nan 0.000 0.517 60 N N 1.000 119.873 118.700 0.289 0.000 2.573 60 N HA 0.210 4.941 4.740 -0.015 0.000 0.262 60 N C -2.303 173.256 175.510 0.082 0.000 1.029 60 N CA -2.037 51.123 53.050 0.182 0.000 0.882 60 N CB 1.784 40.261 38.487 -0.018 0.000 1.204 60 N HN -0.262 nan 8.380 nan 0.000 0.519 61 P HA -0.132 nan 4.420 nan 0.000 0.222 61 P C 1.498 178.726 177.300 -0.121 0.000 1.142 61 P CA 0.438 63.512 63.100 -0.043 0.000 0.788 61 P CB 0.381 32.021 31.700 -0.100 0.000 0.767 62 L N -1.791 119.240 121.223 -0.319 0.000 2.263 62 L HA -0.091 4.240 4.340 -0.015 0.000 0.216 62 L C 1.001 177.526 176.870 -0.574 0.000 1.111 62 L CA 1.823 56.350 54.840 -0.522 0.000 0.773 62 L CB -0.986 40.561 42.059 -0.854 0.000 0.906 62 L HN -0.110 nan 8.230 nan 0.000 0.439 63 F N -1.700 118.286 119.950 0.061 0.000 2.791 63 F HA 0.314 4.832 4.527 -0.015 0.000 0.308 63 F C 1.817 177.731 175.800 0.190 0.000 1.138 63 F CA -0.126 57.959 58.000 0.142 0.000 1.294 63 F CB -0.191 38.925 39.000 0.192 0.000 0.975 63 F HN 0.091 nan 8.300 nan 0.000 0.512 64 Q N 0.397 120.337 119.800 0.234 0.000 2.378 64 Q HA 0.056 4.387 4.340 -0.015 0.000 0.229 64 Q C 0.836 176.993 176.000 0.262 0.000 0.882 64 Q CA -0.064 55.887 55.803 0.248 0.000 0.936 64 Q CB 0.380 29.245 28.738 0.212 0.000 1.092 64 Q HN 0.492 nan 8.270 nan 0.000 0.535 65 N N -0.670 118.142 118.700 0.186 0.000 2.297 65 N HA -0.099 4.632 4.740 -0.015 0.000 0.232 65 N C 0.707 176.327 175.510 0.184 0.000 1.311 65 N CA 0.806 53.951 53.050 0.159 0.000 0.897 65 N CB 0.453 39.009 38.487 0.116 0.000 1.137 65 N HN 0.010 nan 8.380 nan 0.000 0.449 66 S N -0.503 115.290 115.700 0.155 0.000 2.474 66 S HA -0.113 4.348 4.470 -0.015 0.000 0.235 66 S C 1.450 176.148 174.600 0.162 0.000 0.997 66 S CA 0.295 58.594 58.200 0.166 0.000 0.949 66 S CB -0.535 62.744 63.200 0.131 0.000 0.766 66 S HN 0.586 nan 8.310 nan 0.000 0.517 67 L N 0.826 122.135 121.223 0.143 0.000 2.558 67 L HA 0.349 4.680 4.340 -0.015 0.000 0.225 67 L C 0.036 176.996 176.870 0.150 0.000 1.128 67 L CA 0.024 54.942 54.840 0.130 0.000 0.868 67 L CB 0.041 42.162 42.059 0.104 0.000 1.006 67 L HN 0.248 nan 8.230 nan 0.000 0.454 68 I N 0.110 120.790 120.570 0.184 0.000 2.662 68 I HA 0.052 4.213 4.170 -0.015 0.000 0.291 68 I C 0.927 177.183 176.117 0.231 0.000 1.046 68 I CA -0.056 61.371 61.300 0.212 0.000 1.361 68 I CB 1.169 39.327 38.000 0.263 0.000 1.429 68 I HN 0.173 nan 8.210 nan 0.000 0.558 69 S N 6.208 122.046 115.700 0.231 0.000 2.558 69 S HA 0.176 4.637 4.470 -0.015 0.000 0.288 69 S C -0.203 174.663 174.600 0.443 0.000 1.318 69 S CA -0.466 57.917 58.200 0.305 0.000 1.056 69 S CB 0.658 64.032 63.200 0.290 0.000 0.853 69 S HN 0.455 nan 8.310 nan 0.000 0.505 70 K N 2.105 122.757 120.400 0.421 0.000 2.318 70 K HA 0.569 4.881 4.320 -0.015 0.000 0.249 70 K C -3.043 173.554 176.600 -0.007 0.000 0.942 70 K CA -2.472 54.051 56.287 0.393 0.000 0.808 70 K CB 1.256 34.048 32.500 0.488 0.000 1.189 70 K HN 0.371 nan 8.250 nan 0.000 0.428 71 P HA 0.171 nan 4.420 nan 0.000 0.272 71 P C 0.253 177.432 177.300 -0.201 0.000 1.223 71 P CA -0.135 62.441 63.100 -0.874 0.000 0.784 71 P CB 0.607 32.069 31.700 -0.397 0.000 0.923 72 S N -0.001 115.506 115.700 -0.321 0.000 2.436 72 S HA 0.241 4.702 4.470 -0.015 0.000 0.228 72 S C 0.780 175.311 174.600 -0.116 0.000 1.014 72 S CA 0.952 59.048 58.200 -0.173 0.000 0.950 72 S CB -0.176 62.946 63.200 -0.129 0.000 0.784 72 S HN 0.775 nan 8.310 nan 0.000 0.504 73 A N 0.351 123.109 122.820 -0.103 0.000 2.612 73 A HA 0.726 5.037 4.320 -0.015 0.000 0.293 73 A C -1.633 176.004 177.584 0.088 0.000 1.075 73 A CA -0.717 51.341 52.037 0.034 0.000 0.680 73 A CB 0.893 19.809 19.000 -0.139 0.000 1.279 73 A HN 0.197 nan 8.150 nan 0.000 0.411 74 I N 1.485 122.166 120.570 0.184 0.000 2.406 74 I HA 0.462 4.623 4.170 -0.015 0.000 0.290 74 I C -0.927 175.232 176.117 0.071 0.000 0.999 74 I CA -0.362 60.996 61.300 0.097 0.000 1.124 74 I CB 1.670 39.717 38.000 0.079 0.000 1.289 74 I HN 0.477 nan 8.210 nan 0.000 0.441 75 I N 6.934 127.518 120.570 0.024 0.000 2.433 75 I HA 0.368 4.529 4.170 -0.015 0.000 0.292 75 I C -0.654 175.453 176.117 -0.017 0.000 1.001 75 I CA -0.600 60.717 61.300 0.028 0.000 1.119 75 I CB 1.944 39.960 38.000 0.026 0.000 1.289 75 I HN 0.363 nan 8.210 nan 0.000 0.438 76 L N 8.073 129.266 121.223 -0.050 0.000 2.426 76 L HA 0.397 4.729 4.340 -0.015 0.000 0.255 76 L C -2.326 174.522 176.870 -0.037 0.000 1.080 76 L CA -1.649 53.141 54.840 -0.083 0.000 0.960 76 L CB 0.422 42.363 42.059 -0.197 0.000 1.326 76 L HN 0.289 nan 8.230 nan 0.000 0.441 77 P HA 0.114 nan 4.420 nan 0.000 0.271 77 P C 0.693 178.001 177.300 0.014 0.000 1.218 77 P CA -0.057 63.051 63.100 0.013 0.000 0.780 77 P CB 1.218 32.937 31.700 0.032 0.000 0.901 78 G N -0.054 108.752 108.800 0.011 0.000 3.228 78 G HA2 0.316 4.267 3.960 -0.015 0.000 0.245 78 G HA3 0.316 4.267 3.960 -0.015 0.000 0.245 78 G C -0.063 174.856 174.900 0.031 0.000 1.051 78 G CA 0.114 45.224 45.100 0.017 0.000 0.809 78 G HN 0.691 nan 8.290 nan 0.000 0.531 79 S N -0.960 114.753 115.700 0.020 0.000 2.615 79 S HA 0.360 4.821 4.470 -0.015 0.000 0.269 79 S C 0.907 175.432 174.600 -0.124 0.000 1.161 79 S CA -0.137 58.051 58.200 -0.020 0.000 0.817 79 S CB 1.518 64.680 63.200 -0.062 0.000 1.131 79 S HN 0.190 nan 8.310 nan 0.000 0.467 80 K N 0.531 120.675 120.400 -0.427 0.000 2.097 80 K HA -0.086 4.225 4.320 -0.015 0.000 0.206 80 K C 1.185 177.605 176.600 -0.300 0.000 1.049 80 K CA 1.877 57.766 56.287 -0.664 0.000 0.933 80 K CB -0.462 31.297 32.500 -1.235 0.000 0.717 80 K HN 0.561 nan 8.250 nan 0.000 0.442 81 E N 1.391 121.459 120.200 -0.219 0.000 2.072 81 E HA -0.128 4.213 4.350 -0.015 0.000 0.191 81 E C 1.915 178.470 176.600 -0.074 0.000 0.985 81 E CA 1.491 57.814 56.400 -0.127 0.000 0.801 81 E CB -0.003 29.634 29.700 -0.105 0.000 0.750 81 E HN 0.441 nan 8.360 nan 0.000 0.452 82 E N 0.040 120.204 120.200 -0.061 0.000 2.110 82 E HA -0.183 4.158 4.350 -0.015 0.000 0.193 82 E C 1.957 178.555 176.600 -0.004 0.000 0.988 82 E CA 0.655 57.042 56.400 -0.021 0.000 0.804 82 E CB -0.081 29.613 29.700 -0.010 0.000 0.745 82 E HN 0.114 nan 8.360 nan 0.000 0.458 83 L N 0.841 122.056 121.223 -0.012 0.000 2.027 83 L HA -0.154 4.178 4.340 -0.015 0.000 0.206 83 L C 2.402 179.286 176.870 0.024 0.000 1.074 83 L CA 1.874 56.727 54.840 0.021 0.000 0.745 83 L CB -0.813 41.270 42.059 0.040 0.000 0.898 83 L HN -0.028 nan 8.230 nan 0.000 0.433 84 S N -0.302 115.392 115.700 -0.011 0.000 2.359 84 S HA -0.212 4.250 4.470 -0.015 0.000 0.224 84 S C 1.870 176.485 174.600 0.025 0.000 1.035 84 S CA 1.753 59.955 58.200 0.004 0.000 1.018 84 S CB -0.422 62.760 63.200 -0.031 0.000 0.876 84 S HN 0.652 nan 8.310 nan 0.000 0.448 85 N N 0.500 119.209 118.700 0.016 0.000 2.331 85 N HA -0.011 4.720 4.740 -0.015 0.000 0.180 85 N C 1.738 177.273 175.510 0.041 0.000 1.019 85 N CA 1.431 54.500 53.050 0.032 0.000 0.881 85 N CB -1.012 37.491 38.487 0.028 0.000 0.972 85 N HN 0.447 nan 8.380 nan 0.000 0.435 86 T N 1.803 116.380 114.554 0.037 0.000 2.708 86 T HA 0.010 4.351 4.350 -0.015 0.000 0.266 86 T C 2.116 176.841 174.700 0.042 0.000 1.037 86 T CA 0.696 62.817 62.100 0.035 0.000 1.146 86 T CB -0.121 68.768 68.868 0.036 0.000 0.865 86 T HN 0.158 nan 8.240 nan 0.000 0.435 87 I N 0.623 121.232 120.570 0.066 0.000 2.226 87 I HA -0.187 3.975 4.170 -0.015 0.000 0.245 87 I C 2.761 178.914 176.117 0.060 0.000 1.100 87 I CA 1.348 62.696 61.300 0.081 0.000 1.374 87 I CB -0.307 37.782 38.000 0.148 0.000 1.057 87 I HN 0.134 nan 8.210 nan 0.000 0.413 88 R N -0.214 120.321 120.500 0.059 0.000 2.091 88 R HA -0.177 4.154 4.340 -0.015 0.000 0.238 88 R C 2.418 178.749 176.300 0.052 0.000 1.136 88 R CA 1.793 57.925 56.100 0.052 0.000 0.959 88 R CB -0.744 29.587 30.300 0.052 0.000 0.856 88 R HN 0.422 nan 8.270 nan 0.000 0.437 89 c N 0.436 119.068 118.600 0.054 0.000 2.446 89 c HA -0.020 4.541 4.570 -0.015 0.000 0.277 89 c C 2.548 176.687 174.090 0.082 0.000 1.275 89 c CA 0.364 56.727 56.329 0.057 0.000 1.727 89 c CB -0.682 41.853 42.510 0.042 0.000 2.010 89 c HN 0.434 nan 8.230 nan 0.000 0.486 90 I N 0.577 121.191 120.570 0.073 0.000 2.286 90 I HA -0.209 3.952 4.170 -0.015 0.000 0.248 90 I C 2.689 178.925 176.117 0.197 0.000 1.115 90 I CA 1.408 62.792 61.300 0.140 0.000 1.392 90 I CB -0.489 37.545 38.000 0.057 0.000 1.065 90 I HN 0.353 nan 8.210 nan 0.000 0.418 91 R N 0.856 121.410 120.500 0.091 0.000 2.148 91 R HA -0.118 4.213 4.340 -0.015 0.000 0.227 91 R C 2.054 178.382 176.300 0.046 0.000 1.103 91 R CA 0.871 57.001 56.100 0.049 0.000 0.983 91 R CB -0.247 30.061 30.300 0.014 0.000 0.874 91 R HN 0.378 nan 8.270 nan 0.000 0.451 92 K N 0.134 120.571 120.400 0.061 0.000 2.362 92 K HA -0.026 4.286 4.320 -0.015 0.000 0.200 92 K C 1.262 177.882 176.600 0.034 0.000 1.046 92 K CA 0.814 57.124 56.287 0.038 0.000 0.952 92 K CB 0.139 32.660 32.500 0.035 0.000 0.753 92 K HN 0.167 nan 8.250 nan 0.000 0.466 93 G N 0.111 108.964 108.800 0.088 0.000 2.702 93 G HA2 0.193 4.144 3.960 -0.015 0.000 0.254 93 G HA3 0.193 4.144 3.960 -0.015 0.000 0.254 93 G C -0.771 174.026 174.900 -0.171 0.000 1.380 93 G CA -0.539 44.551 45.100 -0.016 0.000 1.042 93 G HN 0.122 nan 8.290 nan 0.000 0.557 94 S N -0.884 114.503 115.700 -0.522 0.000 2.269 94 S HA 0.504 4.965 4.470 -0.015 0.000 0.194 94 S C -1.346 172.901 174.600 -0.589 0.000 1.547 94 S CA -0.804 57.140 58.200 -0.427 0.000 1.186 94 S CB -0.172 62.817 63.200 -0.352 0.000 1.069 94 S HN 0.473 nan 8.310 nan 0.000 0.473 95 W N 0.781 122.072 121.300 -0.015 0.000 2.882 95 W HA 0.563 5.214 4.660 -0.014 0.000 0.345 95 W C -0.251 176.271 176.519 0.004 0.000 1.125 95 W CA -0.959 56.390 57.345 0.008 0.000 1.167 95 W CB 1.599 31.063 29.460 0.008 0.000 1.431 95 W HN 0.201 nan 8.180 nan 0.000 0.543 96 T N 2.920 117.677 114.554 0.338 0.000 2.767 96 T HA 0.433 4.774 4.350 -0.015 0.000 0.288 96 T C -0.081 174.748 174.700 0.215 0.000 0.963 96 T CA -0.468 61.752 62.100 0.200 0.000 1.019 96 T CB 0.297 69.276 68.868 0.184 0.000 0.923 96 T HN 0.099 nan 8.240 nan 0.000 0.468 97 I N 4.032 124.647 120.570 0.076 0.000 2.441 97 I HA 0.279 4.440 4.170 -0.015 0.000 0.287 97 I C 0.653 176.846 176.117 0.127 0.000 1.049 97 I CA -0.302 61.043 61.300 0.076 0.000 1.381 97 I CB 0.447 38.411 38.000 -0.060 0.000 1.409 97 I HN 0.229 nan 8.210 nan 0.000 0.523 98 R N 7.212 127.826 120.500 0.190 0.000 2.439 98 R HA 0.576 4.908 4.340 -0.015 0.000 0.310 98 R C -1.114 175.290 176.300 0.173 0.000 0.955 98 R CA -0.839 55.363 56.100 0.170 0.000 0.853 98 R CB 1.765 32.181 30.300 0.194 0.000 1.171 98 R HN 0.551 nan 8.270 nan 0.000 0.449 99 L N 2.789 124.104 121.223 0.155 0.000 2.309 99 L HA 0.587 4.919 4.340 -0.015 0.000 0.282 99 L C 0.424 177.366 176.870 0.120 0.000 1.036 99 L CA -0.648 54.277 54.840 0.142 0.000 0.806 99 L CB 1.438 43.584 42.059 0.146 0.000 1.220 99 L HN 0.307 nan 8.230 nan 0.000 0.429 100 R N 1.152 121.723 120.500 0.118 0.000 2.575 100 R HA 0.415 4.746 4.340 -0.015 0.000 0.293 100 R C -0.241 176.118 176.300 0.099 0.000 0.983 100 R CA -0.167 56.006 56.100 0.122 0.000 0.887 100 R CB 2.202 32.595 30.300 0.155 0.000 1.184 100 R HN 0.742 nan 8.270 nan 0.000 0.445 101 S N 1.598 117.357 115.700 0.098 0.000 2.860 101 S HA 0.205 4.666 4.470 -0.015 0.000 0.181 101 S C 1.275 175.923 174.600 0.080 0.000 0.763 101 S CA 0.629 58.878 58.200 0.080 0.000 0.829 101 S CB 0.093 63.345 63.200 0.087 0.000 0.793 101 S HN 0.742 nan 8.310 nan 0.000 0.614 102 G N -1.084 107.773 108.800 0.096 0.000 2.887 102 G HA2 0.411 4.362 3.960 -0.015 0.000 0.211 102 G HA3 0.411 4.362 3.960 -0.015 0.000 0.211 102 G C 1.025 176.035 174.900 0.184 0.000 1.152 102 G CA 0.468 45.645 45.100 0.128 0.000 0.769 102 G HN 1.444 nan 8.290 nan 0.000 0.541 103 G N -0.024 108.878 108.800 0.169 0.000 2.153 103 G HA2 -0.297 3.654 3.960 -0.015 0.000 0.252 103 G HA3 -0.297 3.654 3.960 -0.015 0.000 0.252 103 G C 0.806 175.816 174.900 0.184 0.000 0.994 103 G CA 0.547 45.761 45.100 0.190 0.000 0.698 103 G HN 0.572 nan 8.290 nan 0.000 0.521 104 H N 0.057 119.189 119.070 0.103 0.000 2.547 104 H HA 0.177 4.724 4.556 -0.014 0.000 0.266 104 H C 1.832 177.210 175.328 0.084 0.000 0.988 104 H CA 0.860 56.966 56.048 0.096 0.000 1.147 104 H CB 0.257 29.987 29.762 -0.054 0.000 1.365 104 H HN 0.468 nan 8.280 nan 0.000 0.589 105 S N 1.038 116.798 115.700 0.100 0.000 2.784 105 S HA -0.157 4.304 4.470 -0.015 0.000 0.322 105 S C 1.066 175.725 174.600 0.098 0.000 1.234 105 S CA -0.350 57.823 58.200 -0.044 0.000 1.064 105 S CB 0.035 63.135 63.200 -0.166 0.000 0.787 105 S HN 0.218 nan 8.310 nan 0.000 0.506 106 Y N 2.902 123.234 120.300 0.052 0.000 2.403 106 Y HA -0.003 4.538 4.550 -0.015 0.000 0.291 106 Y C 2.139 178.062 175.900 0.039 0.000 1.143 106 Y CA 0.796 58.965 58.100 0.115 0.000 1.257 106 Y CB -0.111 38.436 38.460 0.144 0.000 0.984 106 Y HN 0.682 nan 8.280 nan 0.000 0.550 107 E N -1.171 119.027 120.200 -0.003 0.000 2.548 107 E HA 0.216 4.557 4.350 -0.015 0.000 0.206 107 E C 1.380 177.337 176.600 -1.071 0.000 1.005 107 E CA 0.484 56.709 56.400 -0.293 0.000 0.951 107 E CB 0.216 29.808 29.700 -0.180 0.000 1.035 107 E HN 0.393 nan 8.360 nan 0.000 0.470 108 G N 1.936 110.167 108.800 -0.949 0.000 2.225 108 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.267 108 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.267 108 G C 0.893 175.060 174.900 -1.222 0.000 1.024 108 G CA 0.490 44.786 45.100 -1.341 0.000 0.784 108 G HN 0.371 nan 8.290 nan 0.000 0.507 109 L N 0.739 121.516 121.223 -0.742 0.000 2.552 109 L HA 0.037 4.368 4.340 -0.015 0.000 0.227 109 L C 2.653 179.260 176.870 -0.438 0.000 1.146 109 L CA 1.356 55.858 54.840 -0.563 0.000 0.858 109 L CB -0.162 41.600 42.059 -0.495 0.000 0.969 109 L HN 0.503 nan 8.230 nan 0.000 0.451 110 S N -0.848 114.616 115.700 -0.393 0.000 2.558 110 S HA -0.079 4.383 4.470 -0.015 0.000 0.217 110 S C 0.959 175.561 174.600 0.003 0.000 0.975 110 S CA 0.032 58.163 58.200 -0.114 0.000 0.912 110 S CB -0.146 63.093 63.200 0.065 0.000 0.776 110 S HN 0.626 nan 8.310 nan 0.000 0.526 111 Y N 0.271 120.515 120.300 -0.094 0.000 2.888 111 Y HA 0.487 5.028 4.550 -0.015 0.000 0.260 111 Y C -0.033 175.833 175.900 -0.057 0.000 1.113 111 Y CA -0.649 57.465 58.100 0.023 0.000 1.237 111 Y CB -0.439 38.050 38.460 0.048 0.000 1.307 111 Y HN 0.233 nan 8.280 nan 0.000 0.580 112 T N -1.691 112.540 114.554 -0.537 0.000 2.903 112 T HA 0.776 5.117 4.350 -0.015 0.000 0.299 112 T C -0.716 173.469 174.700 -0.859 0.000 1.093 112 T CA -0.657 61.086 62.100 -0.595 0.000 1.002 112 T CB 2.122 70.749 68.868 -0.402 0.000 1.127 112 T HN 0.406 nan 8.240 nan 0.000 0.488 113 S N 0.048 115.266 115.700 -0.803 0.000 2.556 113 S HA 0.348 4.809 4.470 -0.015 0.000 0.280 113 S C -0.502 174.017 174.600 -0.134 0.000 1.141 113 S CA -0.583 57.318 58.200 -0.499 0.000 0.883 113 S CB 1.602 64.406 63.200 -0.661 0.000 1.103 113 S HN 0.700 nan 8.310 nan 0.000 0.453 114 D N 1.973 122.351 120.400 -0.037 0.000 2.224 114 D HA 0.069 4.700 4.640 -0.015 0.000 0.205 114 D C 1.182 177.537 176.300 0.092 0.000 0.965 114 D CA 1.515 55.539 54.000 0.040 0.000 0.852 114 D CB -0.046 40.773 40.800 0.031 0.000 0.947 114 D HN 0.747 nan 8.370 nan 0.000 0.494 115 T N -1.431 113.189 114.554 0.109 0.000 2.928 115 T HA 0.502 4.843 4.350 -0.015 0.000 0.284 115 T C -2.765 172.103 174.700 0.279 0.000 1.008 115 T CA -2.198 59.991 62.100 0.147 0.000 1.057 115 T CB 1.767 70.704 68.868 0.115 0.000 1.018 115 T HN -0.297 nan 8.240 nan 0.000 0.493 116 P HA 0.231 nan 4.420 nan 0.000 0.263 116 P C -0.799 176.817 177.300 0.526 0.000 1.175 116 P CA 0.008 63.315 63.100 0.343 0.000 0.761 116 P CB -0.111 31.717 31.700 0.213 0.000 0.794 117 F N 1.630 121.748 119.950 0.279 0.000 2.626 117 F HA 0.721 5.239 4.527 -0.015 0.000 0.311 117 F C -1.278 174.584 175.800 0.103 0.000 1.088 117 F CA -1.443 56.690 58.000 0.222 0.000 0.949 117 F CB 1.207 40.287 39.000 0.133 0.000 1.322 117 F HN -0.040 nan 8.300 nan 0.000 0.461 118 I N 3.586 124.207 120.570 0.084 0.000 2.378 118 I HA 0.324 4.485 4.170 -0.015 0.000 0.291 118 I C -0.897 175.269 176.117 0.082 0.000 0.992 118 I CA -0.755 60.458 61.300 -0.144 0.000 1.154 118 I CB 1.535 39.346 38.000 -0.315 0.000 1.315 118 I HN 0.641 nan 8.210 nan 0.000 0.448 119 L N 8.309 129.569 121.223 0.061 0.000 2.261 119 L HA 0.455 4.786 4.340 -0.015 0.000 0.289 119 L C -0.313 176.607 176.870 0.083 0.000 1.059 119 L CA 0.199 55.134 54.840 0.159 0.000 0.816 119 L CB 0.197 42.361 42.059 0.175 0.000 1.191 119 L HN 0.346 nan 8.230 nan 0.000 0.431 120 I N 5.170 125.798 120.570 0.098 0.000 2.287 120 I HA 0.203 4.364 4.170 -0.015 0.000 0.290 120 I C -0.124 176.035 176.117 0.071 0.000 1.069 120 I CA -0.278 61.065 61.300 0.071 0.000 1.237 120 I CB 0.593 38.645 38.000 0.088 0.000 1.418 120 I HN 0.555 nan 8.210 nan 0.000 0.481 121 D N 7.132 127.553 120.400 0.035 0.000 2.249 121 D HA 0.227 4.858 4.640 -0.015 0.000 0.246 121 D C 0.422 176.732 176.300 0.016 0.000 1.114 121 D CA -0.262 53.754 54.000 0.026 0.000 0.854 121 D CB 1.712 42.502 40.800 -0.016 0.000 1.132 121 D HN 0.459 nan 8.370 nan 0.000 0.461 122 L N 4.669 125.913 121.223 0.036 0.000 2.653 122 L HA 0.078 4.409 4.340 -0.015 0.000 0.231 122 L C 2.297 179.178 176.870 0.019 0.000 1.153 122 L CA -0.127 54.732 54.840 0.032 0.000 0.933 122 L CB -0.292 41.793 42.059 0.043 0.000 1.175 122 L HN 0.482 nan 8.230 nan 0.000 0.473 123 M N -1.840 117.770 119.600 0.018 0.000 2.267 123 M HA -0.132 4.339 4.480 -0.015 0.000 0.263 123 M C 1.072 177.376 176.300 0.007 0.000 1.063 123 M CA 1.740 57.054 55.300 0.023 0.000 1.090 123 M CB -0.425 32.227 32.600 0.086 0.000 1.392 123 M HN 0.132 nan 8.290 nan 0.000 0.422 124 N N 1.399 120.097 118.700 -0.003 0.000 2.463 124 N HA 0.198 4.929 4.740 -0.015 0.000 0.181 124 N C 0.309 175.826 175.510 0.012 0.000 1.078 124 N CA 0.625 53.675 53.050 -0.001 0.000 0.902 124 N CB -0.002 38.475 38.487 -0.016 0.000 0.970 124 N HN 0.457 nan 8.380 nan 0.000 0.451 125 L N 2.378 123.611 121.223 0.016 0.000 2.536 125 L HA 0.212 4.543 4.340 -0.015 0.000 0.242 125 L C 0.309 177.167 176.870 -0.019 0.000 1.280 125 L CA -0.290 54.561 54.840 0.018 0.000 1.221 125 L CB -0.330 41.752 42.059 0.037 0.000 1.449 125 L HN 0.076 nan 8.230 nan 0.000 0.405 126 N N 0.921 119.613 118.700 -0.014 0.000 2.416 126 N HA 0.021 4.752 4.740 -0.015 0.000 0.267 126 N C 0.086 175.588 175.510 -0.014 0.000 1.294 126 N CA -0.505 52.530 53.050 -0.025 0.000 0.891 126 N CB 0.303 38.768 38.487 -0.036 0.000 1.238 126 N HN 0.324 nan 8.380 nan 0.000 0.508 127 R N 0.830 121.324 120.500 -0.009 0.000 2.340 127 R HA 0.360 4.692 4.340 -0.015 0.000 0.300 127 R C -1.148 175.160 176.300 0.013 0.000 1.069 127 R CA -0.250 55.855 56.100 0.008 0.000 0.984 127 R CB 0.783 31.093 30.300 0.018 0.000 1.003 127 R HN -0.064 nan 8.270 nan 0.000 0.459 128 V N 3.629 123.561 119.914 0.030 0.000 2.417 128 V HA 0.262 4.374 4.120 -0.015 0.000 0.291 128 V C -0.497 175.630 176.094 0.055 0.000 1.024 128 V CA -0.541 61.783 62.300 0.040 0.000 0.861 128 V CB 1.917 33.759 31.823 0.033 0.000 0.985 128 V HN 0.799 nan 8.190 nan 0.000 0.436 129 S N 6.043 121.793 115.700 0.082 0.000 2.601 129 S HA 0.594 5.055 4.470 -0.015 0.000 0.312 129 S C -0.320 174.329 174.600 0.081 0.000 1.107 129 S CA -0.325 57.931 58.200 0.092 0.000 1.129 129 S CB 0.613 63.892 63.200 0.130 0.000 0.982 129 S HN 0.541 nan 8.310 nan 0.000 0.469 130 I N 2.809 123.406 120.570 0.044 0.000 2.365 130 I HA 0.238 4.400 4.170 -0.015 0.000 0.291 130 I C -0.092 176.038 176.117 0.023 0.000 1.004 130 I CA -0.335 60.974 61.300 0.016 0.000 1.311 130 I CB 0.866 38.865 38.000 -0.001 0.000 1.401 130 I HN 0.423 nan 8.210 nan 0.000 0.491 131 D N 7.090 127.498 120.400 0.014 0.000 2.460 131 D HA 0.241 4.872 4.640 -0.015 0.000 0.232 131 D C 0.642 176.938 176.300 -0.007 0.000 1.079 131 D CA -0.284 53.727 54.000 0.017 0.000 0.864 131 D CB 1.186 42.008 40.800 0.037 0.000 1.048 131 D HN 0.429 nan 8.370 nan 0.000 0.523 132 L N 2.483 123.701 121.223 -0.008 0.000 2.376 132 L HA -0.041 4.290 4.340 -0.015 0.000 0.219 132 L C 1.818 178.678 176.870 -0.016 0.000 1.133 132 L CA 0.580 55.409 54.840 -0.018 0.000 0.816 132 L CB 0.093 42.142 42.059 -0.016 0.000 0.933 132 L HN 0.320 nan 8.230 nan 0.000 0.449 133 E N -0.197 119.999 120.200 -0.007 0.000 2.158 133 E HA -0.091 4.250 4.350 -0.015 0.000 0.191 133 E C 2.224 178.819 176.600 -0.009 0.000 0.982 133 E CA 1.365 57.762 56.400 -0.005 0.000 0.823 133 E CB -0.013 29.688 29.700 0.002 0.000 0.766 133 E HN 0.486 nan 8.360 nan 0.000 0.468 134 S N -0.382 115.312 115.700 -0.010 0.000 2.511 134 S HA 0.084 4.545 4.470 -0.015 0.000 0.214 134 S C 0.337 174.917 174.600 -0.035 0.000 0.997 134 S CA -0.185 58.005 58.200 -0.017 0.000 0.908 134 S CB 0.111 63.305 63.200 -0.010 0.000 0.803 134 S HN 0.149 nan 8.310 nan 0.000 0.504 135 E N 1.827 122.003 120.200 -0.041 0.000 2.252 135 E HA -0.160 4.181 4.350 -0.015 0.000 0.218 135 E C -0.218 176.334 176.600 -0.080 0.000 1.253 135 E CA 0.750 57.114 56.400 -0.061 0.000 0.705 135 E CB -2.298 27.364 29.700 -0.064 0.000 1.172 135 E HN 0.853 nan 8.360 nan 0.000 0.369 136 T N -3.118 111.386 114.554 -0.083 0.000 2.864 136 T HA 0.857 5.198 4.350 -0.015 0.000 0.289 136 T C -0.575 174.046 174.700 -0.131 0.000 1.082 136 T CA -0.418 61.605 62.100 -0.129 0.000 1.009 136 T CB 2.591 71.371 68.868 -0.147 0.000 1.234 136 T HN 0.494 nan 8.240 nan 0.000 0.526 137 A N -0.022 122.677 122.820 -0.201 0.000 2.520 137 A HA 0.647 4.959 4.320 -0.015 0.000 0.298 137 A C -1.931 175.537 177.584 -0.194 0.000 1.051 137 A CA -1.053 50.901 52.037 -0.138 0.000 0.690 137 A CB 0.988 19.904 19.000 -0.142 0.000 1.281 137 A HN 0.818 nan 8.150 nan 0.000 0.402 138 W N 1.598 122.874 121.300 -0.040 0.000 2.361 138 W HA 0.547 5.196 4.660 -0.018 0.000 0.309 138 W C -0.519 175.968 176.519 -0.055 0.000 1.122 138 W CA -0.217 57.109 57.345 -0.031 0.000 1.208 138 W CB 2.015 31.464 29.460 -0.017 0.000 1.246 138 W HN 0.439 nan 8.180 nan 0.000 0.490 139 V N 4.161 124.203 119.914 0.213 0.000 2.380 139 V HA 0.151 4.262 4.120 -0.015 0.000 0.286 139 V C -0.003 176.113 176.094 0.037 0.000 1.015 139 V CA -1.292 61.064 62.300 0.092 0.000 0.834 139 V CB 0.891 32.747 31.823 0.055 0.000 1.009 139 V HN 0.485 nan 8.190 nan 0.000 0.428 140 E N 1.978 122.128 120.200 -0.083 0.000 2.437 140 E HA 0.019 4.360 4.350 -0.015 0.000 0.263 140 E C 1.064 177.590 176.600 -0.124 0.000 1.030 140 E CA 0.494 56.736 56.400 -0.264 0.000 0.934 140 E CB 0.792 30.341 29.700 -0.251 0.000 0.943 140 E HN 0.855 nan 8.360 nan 0.000 0.444 141 S N 1.661 117.258 115.700 -0.173 0.000 2.515 141 S HA -0.047 4.414 4.470 -0.015 0.000 0.231 141 S C 1.665 176.280 174.600 0.025 0.000 0.987 141 S CA 0.419 58.602 58.200 -0.029 0.000 0.936 141 S CB 0.158 63.293 63.200 -0.109 0.000 0.766 141 S HN 0.628 nan 8.310 nan 0.000 0.528 142 G N 0.942 109.736 108.800 -0.011 0.000 2.712 142 G HA2 0.162 4.113 3.960 -0.015 0.000 0.212 142 G HA3 0.162 4.113 3.960 -0.015 0.000 0.212 142 G C 0.356 175.244 174.900 -0.019 0.000 1.142 142 G CA -0.184 44.916 45.100 0.000 0.000 0.789 142 G HN 0.510 nan 8.290 nan 0.000 0.535 143 S N 0.894 116.582 115.700 -0.020 0.000 2.562 143 S HA 0.367 4.828 4.470 -0.015 0.000 0.281 143 S C 0.799 175.362 174.600 -0.062 0.000 1.333 143 S CA -0.097 58.078 58.200 -0.042 0.000 1.052 143 S CB 1.055 64.238 63.200 -0.028 0.000 0.884 143 S HN 0.517 nan 8.310 nan 0.000 0.506 144 T N 0.688 115.177 114.554 -0.109 0.000 2.874 144 T HA 0.423 4.764 4.350 -0.015 0.000 0.281 144 T C 1.501 176.068 174.700 -0.221 0.000 0.994 144 T CA -0.959 61.047 62.100 -0.157 0.000 1.015 144 T CB 0.302 69.067 68.868 -0.172 0.000 1.028 144 T HN 0.396 nan 8.240 nan 0.000 0.523 145 L N 0.954 121.979 121.223 -0.330 0.000 2.042 145 L HA 0.014 4.346 4.340 -0.015 0.000 0.210 145 L C 3.018 179.521 176.870 -0.612 0.000 1.076 145 L CA 1.747 56.246 54.840 -0.568 0.000 0.749 145 L CB -1.280 40.406 42.059 -0.621 0.000 0.893 145 L HN 0.995 nan 8.230 nan 0.000 0.432 146 G N -0.303 108.334 108.800 -0.271 0.000 2.418 146 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.217 146 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.217 146 G C 1.426 176.335 174.900 0.016 0.000 1.158 146 G CA 0.583 45.659 45.100 -0.041 0.000 0.771 146 G HN 0.410 nan 8.290 nan 0.000 0.545 147 E N -0.345 119.822 120.200 -0.055 0.000 2.077 147 E HA -0.116 4.225 4.350 -0.015 0.000 0.193 147 E C 2.367 179.007 176.600 0.066 0.000 0.989 147 E CA 0.857 57.259 56.400 0.002 0.000 0.800 147 E CB -0.172 29.495 29.700 -0.054 0.000 0.746 147 E HN 0.354 nan 8.360 nan 0.000 0.452 148 L N 0.212 121.414 121.223 -0.036 0.000 2.027 148 L HA -0.188 4.143 4.340 -0.015 0.000 0.206 148 L C 1.982 178.954 176.870 0.170 0.000 1.074 148 L CA 1.732 56.568 54.840 -0.008 0.000 0.745 148 L CB -0.584 41.393 42.059 -0.136 0.000 0.898 148 L HN 0.083 nan 8.230 nan 0.000 0.433 149 Y N -1.292 119.133 120.300 0.208 0.000 2.165 149 Y HA -0.275 4.264 4.550 -0.019 0.000 0.286 149 Y C 2.613 178.645 175.900 0.220 0.000 1.155 149 Y CA 1.482 59.742 58.100 0.267 0.000 1.164 149 Y CB -1.528 37.032 38.460 0.167 0.000 0.978 149 Y HN 0.336 nan 8.280 nan 0.000 0.513 150 Y N 0.298 120.734 120.300 0.227 0.000 2.145 150 Y HA -0.206 4.353 4.550 0.015 0.000 0.286 150 Y C 2.497 178.472 175.900 0.125 0.000 1.145 150 Y CA 1.568 59.752 58.100 0.140 0.000 1.148 150 Y CB -0.600 37.911 38.460 0.084 0.000 0.981 150 Y HN 0.036 nan 8.280 nan 0.000 0.507 151 A N 0.300 123.244 122.820 0.206 0.000 1.902 151 A HA -0.174 4.137 4.320 -0.015 0.000 0.217 151 A C 2.280 179.887 177.584 0.038 0.000 1.181 151 A CA 1.989 54.081 52.037 0.092 0.000 0.623 151 A CB -1.115 17.953 19.000 0.113 0.000 0.818 151 A HN 0.584 nan 8.150 nan 0.000 0.443 152 I N 0.177 120.818 120.570 0.117 0.000 2.179 152 I HA -0.241 3.920 4.170 -0.015 0.000 0.242 152 I C 2.923 179.097 176.117 0.095 0.000 1.088 152 I CA 1.872 63.236 61.300 0.107 0.000 1.357 152 I CB -0.678 37.432 38.000 0.183 0.000 1.051 152 I HN 0.556 nan 8.210 nan 0.000 0.409 153 T N -1.679 112.970 114.554 0.158 0.000 2.788 153 T HA -0.166 4.176 4.350 -0.015 0.000 0.268 153 T C 1.727 176.394 174.700 -0.055 0.000 1.044 153 T CA 1.075 63.231 62.100 0.094 0.000 1.139 153 T CB -0.310 68.594 68.868 0.060 0.000 0.867 153 T HN 0.254 nan 8.240 nan 0.000 0.454 154 E N 1.581 121.678 120.200 -0.172 0.000 2.150 154 E HA -0.078 4.264 4.350 -0.015 0.000 0.193 154 E C 2.671 179.221 176.600 -0.084 0.000 0.985 154 E CA 1.477 57.762 56.400 -0.192 0.000 0.814 154 E CB -0.286 29.233 29.700 -0.301 0.000 0.752 154 E HN 0.834 nan 8.360 nan 0.000 0.466 155 S N -0.825 114.844 115.700 -0.052 0.000 2.446 155 S HA 0.045 4.507 4.470 -0.015 0.000 0.225 155 S C 1.059 175.642 174.600 -0.029 0.000 1.016 155 S CA 0.221 58.403 58.200 -0.031 0.000 0.943 155 S CB 0.439 63.626 63.200 -0.021 0.000 0.786 155 S HN 0.027 nan 8.310 nan 0.000 0.508 156 S N -0.100 115.584 115.700 -0.027 0.000 2.543 156 S HA 0.471 4.932 4.470 -0.015 0.000 0.274 156 S C 0.097 174.687 174.600 -0.017 0.000 1.149 156 S CA -0.038 58.144 58.200 -0.031 0.000 0.866 156 S CB 1.345 64.515 63.200 -0.049 0.000 1.111 156 S HN 0.460 nan 8.310 nan 0.000 0.457 157 S N 2.648 118.336 115.700 -0.021 0.000 2.556 157 S HA 0.330 4.791 4.470 -0.015 0.000 0.216 157 S C 0.623 175.202 174.600 -0.035 0.000 0.970 157 S CA -0.207 57.988 58.200 -0.008 0.000 0.912 157 S CB -0.224 62.968 63.200 -0.013 0.000 0.790 157 S HN 0.651 nan 8.310 nan 0.000 0.504 158 K N 0.656 121.015 120.400 -0.068 0.000 2.469 158 K HA 0.443 4.754 4.320 -0.015 0.000 0.204 158 K C -0.731 175.776 176.600 -0.154 0.000 1.047 158 K CA -0.037 56.190 56.287 -0.101 0.000 1.072 158 K CB 0.662 33.116 32.500 -0.077 0.000 0.863 158 K HN 0.316 nan 8.250 nan 0.000 0.530 159 L N -0.128 120.973 121.223 -0.203 0.000 2.370 159 L HA 0.640 4.971 4.340 -0.015 0.000 0.266 159 L C 0.141 176.632 176.870 -0.632 0.000 1.002 159 L CA -0.964 53.690 54.840 -0.310 0.000 0.818 159 L CB 2.129 44.064 42.059 -0.206 0.000 1.325 159 L HN 0.053 nan 8.230 nan 0.000 0.418 160 G N 0.643 108.922 108.800 -0.869 0.000 2.827 160 G HA2 0.722 4.673 3.960 -0.015 0.000 0.296 160 G HA3 0.722 4.673 3.960 -0.015 0.000 0.296 160 G C -2.307 172.176 174.900 -0.694 0.000 1.362 160 G CA -0.320 43.756 45.100 -1.706 0.000 0.809 160 G HN 0.284 nan 8.290 nan 0.000 0.522 161 F N -0.630 118.945 119.950 -0.625 0.000 2.654 161 F HA 0.658 5.175 4.527 -0.016 0.000 0.308 161 F C -0.422 175.458 175.800 0.133 0.000 1.108 161 F CA -0.700 57.215 58.000 -0.141 0.000 0.957 161 F CB 2.418 41.451 39.000 0.055 0.000 1.309 161 F HN 0.536 nan 8.300 nan 0.000 0.446 162 T N 3.781 117.856 114.554 -0.798 0.000 2.733 162 T HA 0.839 5.181 4.350 -0.015 0.000 0.294 162 T C -0.612 173.901 174.700 -0.312 0.000 0.956 162 T CA 0.490 62.363 62.100 -0.378 0.000 0.987 162 T CB -0.114 68.544 68.868 -0.350 0.000 0.920 162 T HN 1.062 nan 8.240 nan 0.000 0.470 163 A N 3.706 126.638 122.820 0.186 0.000 2.588 163 A HA 0.884 5.195 4.320 -0.015 0.000 0.309 163 A C 0.354 178.132 177.584 0.324 0.000 1.173 163 A CA -0.442 51.785 52.037 0.317 0.000 0.631 163 A CB 0.224 19.499 19.000 0.458 0.000 1.364 163 A HN 1.046 nan 8.150 nan 0.000 0.526 164 G N -0.932 108.068 108.800 0.334 0.000 2.684 164 G HA2 0.337 4.288 3.960 -0.015 0.000 0.255 164 G HA3 0.337 4.288 3.960 -0.015 0.000 0.255 164 G C 0.884 175.792 174.900 0.013 0.000 1.219 164 G CA 0.369 45.535 45.100 0.110 0.000 0.901 164 G HN 1.328 nan 8.290 nan 0.000 0.548 165 W N -0.585 120.675 121.300 -0.067 0.000 2.576 165 W HA 0.396 5.046 4.660 -0.017 0.000 0.270 165 W C 0.576 177.039 176.519 -0.093 0.000 1.255 165 W CA 0.193 57.445 57.345 -0.155 0.000 1.314 165 W CB -0.411 28.959 29.460 -0.150 0.000 1.101 165 W HN 0.523 nan 8.180 nan 0.000 0.595 166 A N 4.013 126.242 122.820 -0.984 0.000 2.302 166 A HA 0.288 4.599 4.320 -0.015 0.000 0.295 166 A C -1.104 176.150 177.584 -0.550 0.000 1.235 166 A CA -1.293 50.034 52.037 -1.184 0.000 0.876 166 A CB 0.368 18.276 19.000 -1.820 0.000 1.133 166 A HN 0.027 nan 8.150 nan 0.000 0.533 167 P HA -0.099 nan 4.420 nan 0.000 0.226 167 P C 1.124 178.313 177.300 -0.185 0.000 1.153 167 P CA 1.610 64.638 63.100 -0.120 0.000 0.777 167 P CB -0.015 31.703 31.700 0.030 0.000 0.794 168 T N -3.764 110.671 114.554 -0.197 0.000 3.107 168 T HA 0.140 4.481 4.350 -0.015 0.000 0.249 168 T C 0.784 175.374 174.700 -0.185 0.000 1.096 168 T CA -0.221 61.826 62.100 -0.088 0.000 1.012 168 T CB -0.752 68.211 68.868 0.158 0.000 0.977 168 T HN -0.221 nan 8.240 nan 0.000 0.527 169 V N 2.219 121.789 119.914 -0.572 0.000 2.655 169 V HA 0.494 4.606 4.120 -0.015 0.000 0.300 169 V C 1.306 177.223 176.094 -0.295 0.000 1.044 169 V CA -0.244 61.677 62.300 -0.631 0.000 1.095 169 V CB 0.632 31.951 31.823 -0.841 0.000 0.952 169 V HN 0.618 nan 8.190 nan 0.000 0.485 170 G N 2.383 111.111 108.800 -0.120 0.000 2.395 170 G HA2 0.376 4.327 3.960 -0.015 0.000 0.283 170 G HA3 0.376 4.327 3.960 -0.015 0.000 0.283 170 G C 1.045 175.946 174.900 0.002 0.000 1.178 170 G CA 0.316 45.390 45.100 -0.042 0.000 0.837 170 G HN 0.916 nan 8.290 nan 0.000 0.518 171 T N -0.213 114.362 114.554 0.035 0.000 2.915 171 T HA -0.055 4.286 4.350 -0.015 0.000 0.269 171 T C 2.362 177.251 174.700 0.315 0.000 1.071 171 T CA 1.463 63.638 62.100 0.126 0.000 1.132 171 T CB -0.243 68.710 68.868 0.142 0.000 0.878 171 T HN 0.563 nan 8.240 nan 0.000 0.479 172 G N 1.460 110.428 108.800 0.282 0.000 2.433 172 G HA2 0.076 4.027 3.960 -0.015 0.000 0.216 172 G HA3 0.076 4.027 3.960 -0.015 0.000 0.216 172 G C 1.682 176.757 174.900 0.291 0.000 1.186 172 G CA 0.629 45.921 45.100 0.320 0.000 0.779 172 G HN 0.630 nan 8.290 nan 0.000 0.543 173 G N -0.540 108.367 108.800 0.179 0.000 2.396 173 G HA2 -0.123 3.828 3.960 -0.015 0.000 0.214 173 G HA3 -0.123 3.828 3.960 -0.015 0.000 0.214 173 G C 1.591 176.557 174.900 0.111 0.000 1.166 173 G CA 1.257 46.432 45.100 0.124 0.000 0.793 173 G HN 0.551 nan 8.290 nan 0.000 0.533 174 H N 0.678 119.741 119.070 -0.012 0.000 2.299 174 H HA 0.103 4.650 4.556 -0.014 0.000 0.302 174 H C 2.478 177.755 175.328 -0.085 0.000 1.078 174 H CA 1.538 57.545 56.048 -0.068 0.000 1.323 174 H CB -0.161 29.540 29.762 -0.103 0.000 1.381 174 H HN 0.288 nan 8.280 nan 0.000 0.498 175 I N -0.501 119.988 120.570 -0.136 0.000 2.394 175 I HA -0.204 3.957 4.170 -0.015 0.000 0.251 175 I C 2.239 178.142 176.117 -0.356 0.000 1.136 175 I CA 1.017 62.026 61.300 -0.484 0.000 1.425 175 I CB -0.286 37.044 38.000 -1.118 0.000 1.079 175 I HN 0.218 nan 8.210 nan 0.000 0.425 176 S N 0.804 116.525 115.700 0.036 0.000 2.419 176 S HA -0.122 4.339 4.470 -0.015 0.000 0.235 176 S C 1.875 176.536 174.600 0.100 0.000 1.019 176 S CA 1.466 59.794 58.200 0.213 0.000 0.982 176 S CB -0.359 63.044 63.200 0.338 0.000 0.789 176 S HN 0.664 nan 8.310 nan 0.000 0.490 177 G N -0.768 108.043 108.800 0.019 0.000 3.126 177 G HA2 0.502 4.454 3.960 -0.015 0.000 0.224 177 G HA3 0.502 4.454 3.960 -0.015 0.000 0.224 177 G C 0.720 175.677 174.900 0.094 0.000 1.142 177 G CA 0.389 45.517 45.100 0.048 0.000 0.759 177 G HN 0.710 nan 8.290 nan 0.000 0.550 178 G N -0.568 108.196 108.800 -0.061 0.000 2.134 178 G HA2 0.400 4.351 3.960 -0.015 0.000 0.225 178 G HA3 0.400 4.351 3.960 -0.015 0.000 0.225 178 G C 0.588 175.307 174.900 -0.301 0.000 1.944 178 G CA 0.695 45.730 45.100 -0.109 0.000 1.512 178 G HN 2.017 nan 8.290 nan 0.000 0.493 179 G N -0.351 108.268 108.800 -0.300 0.000 2.798 179 G HA2 0.406 4.358 3.960 -0.015 0.000 0.658 179 G HA3 0.406 4.358 3.960 -0.015 0.000 0.658 179 G C -0.567 174.242 174.900 -0.152 0.000 1.148 179 G CA 0.351 45.091 45.100 -0.600 0.000 1.200 179 G HN 1.784 nan 8.290 nan 0.000 0.519 180 F N 2.562 122.451 119.950 -0.101 0.000 2.443 180 F HA 0.836 5.355 4.527 -0.012 0.000 0.335 180 F C 0.713 176.542 175.800 0.050 0.000 1.104 180 F CA 0.836 58.756 58.000 -0.134 0.000 1.013 180 F CB 1.784 40.635 39.000 -0.247 0.000 1.136 180 F HN 0.767 nan 8.300 nan 0.000 0.470 181 G N 4.462 112.847 108.800 -0.693 0.000 2.731 181 G HA2 0.184 4.135 3.960 -0.015 0.000 0.309 181 G HA3 0.184 4.135 3.960 -0.015 0.000 0.309 181 G C -0.185 174.392 174.900 -0.538 0.000 1.273 181 G CA -0.751 44.142 45.100 -0.346 0.000 0.798 181 G HN 0.460 nan 8.290 nan 0.000 0.509 182 M N 0.062 119.473 119.600 -0.316 0.000 2.549 182 M HA 0.162 4.633 4.480 -0.015 0.000 0.260 182 M C 1.875 177.977 176.300 -0.331 0.000 1.076 182 M CA 1.168 56.289 55.300 -0.298 0.000 1.090 182 M CB -0.623 31.761 32.600 -0.360 0.000 1.418 182 M HN 0.386 nan 8.290 nan 0.000 0.486 183 M N -1.508 117.932 119.600 -0.266 0.000 2.404 183 M HA 0.079 4.550 4.480 -0.015 0.000 0.271 183 M C 1.402 177.556 176.300 -0.243 0.000 1.128 183 M CA -0.008 55.179 55.300 -0.188 0.000 0.982 183 M CB 0.110 32.734 32.600 0.040 0.000 1.445 183 M HN 0.025 nan 8.290 nan 0.000 0.495 184 S N 0.734 116.172 115.700 -0.438 0.000 2.428 184 S HA -0.007 4.454 4.470 -0.015 0.000 0.230 184 S C 1.790 176.193 174.600 -0.328 0.000 1.014 184 S CA 0.970 58.873 58.200 -0.496 0.000 0.957 184 S CB -0.104 62.497 63.200 -0.998 0.000 0.784 184 S HN 0.492 nan 8.310 nan 0.000 0.499 185 R N 0.807 121.158 120.500 -0.247 0.000 2.189 185 R HA 0.017 4.348 4.340 -0.015 0.000 0.223 185 R C 2.159 178.346 176.300 -0.188 0.000 1.092 185 R CA 1.004 57.027 56.100 -0.128 0.000 0.989 185 R CB -0.016 30.278 30.300 -0.011 0.000 0.876 185 R HN 0.146 nan 8.270 nan 0.000 0.457 186 K N -1.124 119.093 120.400 -0.305 0.000 2.244 186 K HA 0.007 4.318 4.320 -0.015 0.000 0.200 186 K C 0.380 176.606 176.600 -0.623 0.000 1.052 186 K CA 1.028 56.976 56.287 -0.565 0.000 0.980 186 K CB 0.436 32.420 32.500 -0.860 0.000 0.838 186 K HN 0.029 nan 8.250 nan 0.000 0.481 187 Y N -0.638 119.524 120.300 -0.231 0.000 2.610 187 Y HA 0.385 4.927 4.550 -0.015 0.000 0.254 187 Y C 0.693 176.448 175.900 -0.242 0.000 1.110 187 Y CA -0.289 57.670 58.100 -0.235 0.000 1.238 187 Y CB 1.085 39.391 38.460 -0.257 0.000 1.322 187 Y HN 0.229 nan 8.280 nan 0.000 0.547 188 G N 0.912 109.632 108.800 -0.133 0.000 2.593 188 G HA2 -0.264 3.687 3.960 -0.015 0.000 0.237 188 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.237 188 G C -0.472 174.279 174.900 -0.248 0.000 1.312 188 G CA -0.409 44.586 45.100 -0.176 0.000 0.896 188 G HN 0.134 nan 8.290 nan 0.000 0.574 189 L N 0.614 121.697 121.223 -0.234 0.000 2.439 189 L HA 0.542 4.873 4.340 -0.015 0.000 0.259 189 L C 2.353 179.059 176.870 -0.273 0.000 1.129 189 L CA -0.159 54.513 54.840 -0.280 0.000 0.803 189 L CB 0.825 42.701 42.059 -0.305 0.000 1.161 189 L HN 1.116 nan 8.230 nan 0.000 0.462 190 A N 1.819 124.469 122.820 -0.283 0.000 1.903 190 A HA -0.256 4.055 4.320 -0.015 0.000 0.219 190 A C 2.253 179.746 177.584 -0.152 0.000 1.191 190 A CA 2.275 54.170 52.037 -0.236 0.000 0.638 190 A CB -0.896 18.072 19.000 -0.052 0.000 0.823 190 A HN 0.915 nan 8.150 nan 0.000 0.451 191 A N -0.652 122.027 122.820 -0.236 0.000 2.067 191 A HA -0.105 4.206 4.320 -0.015 0.000 0.219 191 A C 1.491 178.995 177.584 -0.133 0.000 1.158 191 A CA 1.612 53.489 52.037 -0.267 0.000 0.661 191 A CB -0.451 18.369 19.000 -0.301 0.000 0.801 191 A HN 0.475 nan 8.150 nan 0.000 0.452 192 D N 0.070 120.447 120.400 -0.039 0.000 2.363 192 D HA -0.028 4.603 4.640 -0.015 0.000 0.220 192 D C 0.491 176.888 176.300 0.162 0.000 0.994 192 D CA 0.535 54.637 54.000 0.171 0.000 0.890 192 D CB -0.102 40.776 40.800 0.129 0.000 0.906 192 D HN 0.465 nan 8.370 nan 0.000 0.530 193 N N 0.121 118.860 118.700 0.066 0.000 2.291 193 N HA 0.067 4.798 4.740 -0.015 0.000 0.244 193 N C -0.577 175.025 175.510 0.153 0.000 1.216 193 N CA -0.016 53.102 53.050 0.113 0.000 0.879 193 N CB 2.261 40.791 38.487 0.071 0.000 1.167 193 N HN -0.079 nan 8.380 nan 0.000 0.515 194 V N 1.922 121.891 119.914 0.092 0.000 2.465 194 V HA 0.134 4.245 4.120 -0.015 0.000 0.279 194 V C 1.403 177.639 176.094 0.237 0.000 1.045 194 V CA -0.257 62.101 62.300 0.096 0.000 0.938 194 V CB 1.672 33.501 31.823 0.009 0.000 0.986 194 V HN 0.094 nan 8.190 nan 0.000 0.467 195 V N -0.168 119.861 119.914 0.192 0.000 3.604 195 V HA 0.520 4.631 4.120 -0.015 0.000 0.277 195 V C 0.208 176.332 176.094 0.051 0.000 1.399 195 V CA 0.386 62.787 62.300 0.168 0.000 1.034 195 V CB 0.656 32.489 31.823 0.017 0.000 0.824 195 V HN 0.772 nan 8.190 nan 0.000 0.439 196 D N -0.657 119.790 120.400 0.078 0.000 2.671 196 D HA 0.794 5.425 4.640 -0.015 0.000 0.273 196 D C -1.297 175.140 176.300 0.229 0.000 1.264 196 D CA 0.563 54.555 54.000 -0.012 0.000 0.788 196 D CB 2.250 42.991 40.800 -0.098 0.000 1.324 196 D HN 0.560 nan 8.370 nan 0.000 0.424 197 A N 0.632 123.657 122.820 0.342 0.000 2.597 197 A HA 0.644 4.955 4.320 -0.015 0.000 0.292 197 A C -1.644 176.140 177.584 0.332 0.000 1.057 197 A CA -0.576 51.674 52.037 0.355 0.000 0.674 197 A CB 0.844 19.995 19.000 0.252 0.000 1.278 197 A HN 0.378 nan 8.150 nan 0.000 0.416 198 I N 1.456 122.176 120.570 0.250 0.000 2.355 198 I HA 0.442 4.603 4.170 -0.015 0.000 0.288 198 I C -0.884 175.253 176.117 0.033 0.000 0.999 198 I CA -0.637 60.753 61.300 0.150 0.000 1.163 198 I CB 1.551 39.674 38.000 0.205 0.000 1.316 198 I HN 0.560 nan 8.210 nan 0.000 0.454 199 L N 8.427 129.657 121.223 0.011 0.000 2.313 199 L HA 0.586 4.917 4.340 -0.015 0.000 0.283 199 L C -0.704 176.156 176.870 -0.016 0.000 1.013 199 L CA -0.133 54.685 54.840 -0.037 0.000 0.816 199 L CB 1.278 43.320 42.059 -0.028 0.000 1.236 199 L HN 0.401 nan 8.230 nan 0.000 0.419 200 I N 5.190 125.743 120.570 -0.028 0.000 2.304 200 I HA 0.252 4.414 4.170 -0.015 0.000 0.291 200 I C -0.249 175.867 176.117 -0.001 0.000 1.018 200 I CA -0.733 60.565 61.300 -0.004 0.000 1.260 200 I CB 1.061 39.069 38.000 0.014 0.000 1.390 200 I HN 0.686 nan 8.210 nan 0.000 0.475 201 D N 5.814 126.241 120.400 0.045 0.000 2.478 201 D HA 0.202 4.833 4.640 -0.015 0.000 0.269 201 D C 1.123 177.569 176.300 0.243 0.000 1.232 201 D CA -0.538 53.520 54.000 0.097 0.000 1.059 201 D CB 0.949 41.803 40.800 0.090 0.000 1.104 201 D HN 0.466 nan 8.370 nan 0.000 0.566 202 A N -0.179 122.847 122.820 0.344 0.000 2.076 202 A HA -0.185 4.126 4.320 -0.015 0.000 0.220 202 A C 1.449 179.124 177.584 0.152 0.000 1.160 202 A CA 1.125 53.362 52.037 0.334 0.000 0.653 202 A CB -0.658 18.477 19.000 0.224 0.000 0.801 202 A HN 0.564 nan 8.150 nan 0.000 0.455 203 N N -1.213 117.559 118.700 0.119 0.000 2.236 203 N HA 0.193 4.924 4.740 -0.015 0.000 0.196 203 N C 1.064 176.614 175.510 0.067 0.000 1.114 203 N CA 0.926 54.020 53.050 0.074 0.000 0.859 203 N CB 0.642 39.162 38.487 0.055 0.000 0.982 203 N HN 0.601 nan 8.380 nan 0.000 0.493 204 G N 0.353 109.204 108.800 0.085 0.000 2.157 204 G HA2 -0.269 3.682 3.960 -0.015 0.000 0.248 204 G HA3 -0.269 3.682 3.960 -0.015 0.000 0.248 204 G C 0.314 175.232 174.900 0.031 0.000 0.979 204 G CA 0.148 45.284 45.100 0.060 0.000 0.650 204 G HN 0.594 nan 8.290 nan 0.000 0.529 205 A N -0.027 122.814 122.820 0.036 0.000 2.498 205 A HA 0.597 4.908 4.320 -0.015 0.000 0.239 205 A C 0.575 178.160 177.584 0.002 0.000 1.068 205 A CA 0.348 52.395 52.037 0.017 0.000 0.766 205 A CB 0.184 19.199 19.000 0.025 0.000 1.003 205 A HN 0.845 nan 8.150 nan 0.000 0.497 206 I N 3.310 123.867 120.570 -0.020 0.000 2.307 206 I HA 0.226 4.387 4.170 -0.015 0.000 0.287 206 I C -0.762 175.341 176.117 -0.023 0.000 1.054 206 I CA 0.144 61.419 61.300 -0.042 0.000 1.218 206 I CB 0.394 38.341 38.000 -0.089 0.000 1.398 206 I HN 0.436 nan 8.210 nan 0.000 0.475 207 L N 6.186 127.408 121.223 -0.002 0.000 2.305 207 L HA 0.417 4.748 4.340 -0.015 0.000 0.284 207 L C -0.217 176.676 176.870 0.038 0.000 1.013 207 L CA -0.939 53.911 54.840 0.016 0.000 0.819 207 L CB 1.328 43.403 42.059 0.027 0.000 1.227 207 L HN 0.533 nan 8.230 nan 0.000 0.417 208 D N 1.824 122.247 120.400 0.038 0.000 2.478 208 D HA 0.114 4.745 4.640 -0.015 0.000 0.269 208 D C 1.088 177.410 176.300 0.037 0.000 1.232 208 D CA -0.662 53.382 54.000 0.073 0.000 1.059 208 D CB 0.709 41.556 40.800 0.078 0.000 1.104 208 D HN 0.392 nan 8.370 nan 0.000 0.566 209 R N -0.708 119.778 120.500 -0.023 0.000 2.091 209 R HA -0.222 4.109 4.340 -0.015 0.000 0.238 209 R C 2.028 178.255 176.300 -0.123 0.000 1.136 209 R CA 1.700 57.681 56.100 -0.197 0.000 0.959 209 R CB -0.198 29.736 30.300 -0.611 0.000 0.856 209 R HN 0.540 nan 8.270 nan 0.000 0.437 210 Q N -0.506 119.243 119.800 -0.086 0.000 2.124 210 Q HA -0.132 4.200 4.340 -0.015 0.000 0.202 210 Q C 2.125 178.113 176.000 -0.019 0.000 0.977 210 Q CA 1.639 57.411 55.803 -0.051 0.000 0.850 210 Q CB -0.070 28.647 28.738 -0.036 0.000 0.901 210 Q HN 0.491 nan 8.270 nan 0.000 0.429 211 A N 1.397 124.214 122.820 -0.005 0.000 1.929 211 A HA -0.145 4.166 4.320 -0.015 0.000 0.216 211 A C 2.108 179.704 177.584 0.020 0.000 1.176 211 A CA 1.399 53.441 52.037 0.007 0.000 0.628 211 A CB -0.522 18.483 19.000 0.009 0.000 0.816 211 A HN 0.515 nan 8.150 nan 0.000 0.444 212 M N -2.059 117.561 119.600 0.033 0.000 2.419 212 M HA 0.366 4.837 4.480 -0.015 0.000 0.264 212 M C 1.022 177.356 176.300 0.057 0.000 1.082 212 M CA 1.017 56.349 55.300 0.054 0.000 1.119 212 M CB -0.528 32.120 32.600 0.080 0.000 1.398 212 M HN 0.791 nan 8.290 nan 0.000 0.453 213 G N 0.955 109.783 108.800 0.046 0.000 2.699 213 G HA2 -0.156 3.795 3.960 -0.015 0.000 0.686 213 G HA3 -0.156 3.795 3.960 -0.015 0.000 0.686 213 G C -0.200 174.753 174.900 0.087 0.000 1.301 213 G CA -0.215 44.912 45.100 0.044 0.000 0.816 213 G HN 0.366 nan 8.290 nan 0.000 0.595 214 E N -0.033 120.210 120.200 0.072 0.000 2.152 214 E HA -0.063 4.279 4.350 -0.015 0.000 0.192 214 E C 1.988 178.668 176.600 0.134 0.000 0.983 214 E CA 1.357 57.831 56.400 0.123 0.000 0.818 214 E CB -0.081 29.657 29.700 0.063 0.000 0.758 214 E HN 0.569 nan 8.360 nan 0.000 0.467 215 D N 0.253 120.690 120.400 0.061 0.000 2.117 215 D HA -0.099 4.532 4.640 -0.015 0.000 0.198 215 D C 2.085 178.448 176.300 0.105 0.000 0.982 215 D CA 0.727 54.756 54.000 0.048 0.000 0.828 215 D CB 0.002 40.800 40.800 -0.004 0.000 0.967 215 D HN 0.020 nan 8.370 nan 0.000 0.464 216 V N 0.838 120.792 119.914 0.067 0.000 2.453 216 V HA -0.186 3.925 4.120 -0.015 0.000 0.247 216 V C 2.142 178.222 176.094 -0.023 0.000 1.048 216 V CA 0.937 63.230 62.300 -0.012 0.000 1.049 216 V CB -0.521 31.323 31.823 0.036 0.000 0.672 216 V HN 0.070 nan 8.190 nan 0.000 0.457 217 F N -0.170 119.759 119.950 -0.035 0.000 2.216 217 F HA -0.184 4.333 4.527 -0.016 0.000 0.300 217 F C 2.026 177.809 175.800 -0.029 0.000 1.085 217 F CA 1.391 59.376 58.000 -0.025 0.000 1.326 217 F CB -0.347 38.659 39.000 0.010 0.000 1.027 217 F HN 0.320 nan 8.300 nan 0.000 0.497 218 W N 0.961 122.103 121.300 -0.265 0.000 2.378 218 W HA -0.088 4.563 4.660 -0.014 0.000 0.313 218 W C 2.387 178.636 176.519 -0.450 0.000 1.197 218 W CA 2.656 59.779 57.345 -0.370 0.000 1.304 218 W CB -0.861 28.460 29.460 -0.231 0.000 1.148 218 W HN 0.017 nan 8.180 nan 0.000 0.494 219 A N 1.265 123.836 122.820 -0.413 0.000 1.908 219 A HA -0.230 4.082 4.320 -0.015 0.000 0.218 219 A C 2.083 178.991 177.584 -1.128 0.000 1.181 219 A CA 2.363 53.806 52.037 -0.990 0.000 0.627 219 A CB -1.580 16.644 19.000 -1.293 0.000 0.818 219 A HN 0.652 nan 8.150 nan 0.000 0.445 220 I N -3.480 116.570 120.570 -0.867 0.000 2.756 220 I HA -0.044 4.117 4.170 -0.015 0.000 0.262 220 I C 1.204 177.179 176.117 -0.236 0.000 1.225 220 I CA 0.858 61.841 61.300 -0.529 0.000 1.472 220 I CB -0.236 37.623 38.000 -0.235 0.000 1.094 220 I HN 0.060 nan 8.210 nan 0.000 0.454 221 R N 2.090 122.325 120.500 -0.443 0.000 4.609 221 R HA 0.300 4.631 4.340 -0.015 0.000 0.235 221 R C 0.688 176.771 176.300 -0.362 0.000 1.836 221 R CA 0.520 56.370 56.100 -0.416 0.000 1.564 221 R CB 0.074 30.035 30.300 -0.566 0.000 1.382 221 R HN 0.704 nan 8.270 nan 0.000 0.776 222 G N -1.147 107.522 108.800 -0.217 0.000 2.425 222 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.177 222 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.177 222 G C 0.824 175.787 174.900 0.105 0.000 0.999 222 G CA -0.307 44.769 45.100 -0.040 0.000 0.723 222 G HN 0.488 nan 8.290 nan 0.000 0.491 223 G N 0.318 109.073 108.800 -0.075 0.000 2.848 223 G HA2 0.545 4.496 3.960 -0.015 0.000 0.208 223 G HA3 0.545 4.496 3.960 -0.015 0.000 0.208 223 G C 1.120 176.337 174.900 0.528 0.000 1.152 223 G CA 1.467 46.586 45.100 0.031 0.000 0.789 223 G HN 1.962 nan 8.290 nan 0.000 0.531 224 G N -1.710 107.383 108.800 0.489 0.000 2.911 224 G HA2 0.439 4.390 3.960 -0.015 0.000 0.686 224 G HA3 0.439 4.390 3.960 -0.015 0.000 0.686 224 G C 0.214 175.353 174.900 0.398 0.000 1.136 224 G CA -0.386 44.967 45.100 0.421 0.000 0.764 224 G HN 0.925 nan 8.290 nan 0.000 0.626 225 G N -0.608 108.339 108.800 0.245 0.000 2.569 225 G HA2 0.666 4.617 3.960 -0.015 0.000 0.249 225 G HA3 0.666 4.617 3.960 -0.015 0.000 0.249 225 G C 1.463 176.459 174.900 0.161 0.000 1.216 225 G CA 1.313 46.534 45.100 0.202 0.000 0.845 225 G HN 2.544 nan 8.290 nan 0.000 0.568 226 G N -1.253 107.622 108.800 0.125 0.000 2.147 226 G HA2 -0.180 3.771 3.960 -0.015 0.000 0.244 226 G HA3 -0.180 3.771 3.960 -0.015 0.000 0.244 226 G C 0.587 175.551 174.900 0.107 0.000 1.005 226 G CA 0.574 45.770 45.100 0.160 0.000 0.713 226 G HN 1.284 nan 8.290 nan 0.000 0.515 227 V N -2.874 116.934 119.914 -0.175 0.000 3.350 227 V HA 0.238 4.349 4.120 -0.015 0.000 0.246 227 V C 1.818 177.484 176.094 -0.713 0.000 1.363 227 V CA 1.505 63.455 62.300 -0.584 0.000 1.162 227 V CB -0.265 30.896 31.823 -1.103 0.000 0.947 227 V HN 0.491 nan 8.190 nan 0.000 0.454 228 W N 0.767 121.998 121.300 -0.115 0.000 3.058 228 W HA 0.661 5.312 4.660 -0.015 0.000 0.306 228 W C 1.119 177.400 176.519 -0.396 0.000 1.188 228 W CA 0.629 57.877 57.345 -0.162 0.000 1.651 228 W CB 0.719 30.112 29.460 -0.112 0.000 1.051 228 W HN 0.339 nan 8.180 nan 0.000 0.592 229 G N 0.408 108.700 108.800 -0.847 0.000 2.334 229 G HA2 0.340 4.291 3.960 -0.015 0.000 0.315 229 G HA3 0.340 4.291 3.960 -0.015 0.000 0.315 229 G C -1.686 172.680 174.900 -0.889 0.000 1.284 229 G CA -0.685 43.575 45.100 -1.399 0.000 0.985 229 G HN 0.322 nan 8.290 nan 0.000 0.504 230 A N 0.161 122.688 122.820 -0.487 0.000 2.258 230 A HA 0.673 4.984 4.320 -0.015 0.000 0.316 230 A C 0.384 177.891 177.584 -0.129 0.000 1.279 230 A CA -0.573 51.356 52.037 -0.181 0.000 0.876 230 A CB 0.236 19.232 19.000 -0.007 0.000 1.170 230 A HN 0.884 nan 8.150 nan 0.000 0.520 231 I N 3.718 124.188 120.570 -0.166 0.000 2.587 231 I HA -0.087 4.074 4.170 -0.015 0.000 0.284 231 I C 1.044 177.052 176.117 -0.181 0.000 1.134 231 I CA 0.648 61.770 61.300 -0.296 0.000 1.410 231 I CB -0.008 37.614 38.000 -0.629 0.000 1.392 231 I HN 0.938 nan 8.210 nan 0.000 0.545 232 Y N 7.326 127.493 120.300 -0.222 0.000 2.269 232 Y HA 0.393 4.935 4.550 -0.014 0.000 0.294 232 Y C 0.705 176.520 175.900 -0.141 0.000 1.120 232 Y CA 0.656 58.669 58.100 -0.144 0.000 1.159 232 Y CB 0.490 38.885 38.460 -0.108 0.000 1.024 232 Y HN 0.587 nan 8.280 nan 0.000 0.532 233 A N -1.524 121.026 122.820 -0.450 0.000 2.604 233 A HA 0.496 4.808 4.320 -0.015 0.000 0.295 233 A C -2.129 175.391 177.584 -0.107 0.000 1.067 233 A CA -0.655 51.171 52.037 -0.350 0.000 0.683 233 A CB 0.023 18.826 19.000 -0.327 0.000 1.281 233 A HN 0.322 nan 8.150 nan 0.000 0.407 234 W N 1.121 122.489 121.300 0.113 0.000 2.520 234 W HA 0.636 5.286 4.660 -0.016 0.000 0.323 234 W C 0.401 176.776 176.519 -0.240 0.000 1.062 234 W CA -0.444 56.900 57.345 -0.002 0.000 1.215 234 W CB 1.729 31.148 29.460 -0.069 0.000 1.340 234 W HN 0.666 nan 8.180 nan 0.000 0.516 235 K N 5.162 125.344 120.400 -0.364 0.000 2.293 235 K HA 0.482 4.793 4.320 -0.015 0.000 0.267 235 K C -0.642 175.733 176.600 -0.376 0.000 1.010 235 K CA -0.452 55.303 56.287 -0.886 0.000 0.875 235 K CB 0.447 31.938 32.500 -1.681 0.000 1.106 235 K HN 0.624 nan 8.250 nan 0.000 0.450 236 I N 0.310 120.667 120.570 -0.356 0.000 2.648 236 I HA 0.527 4.688 4.170 -0.015 0.000 0.304 236 I C -0.797 175.194 176.117 -0.210 0.000 1.009 236 I CA -1.227 59.914 61.300 -0.266 0.000 1.114 236 I CB 1.725 39.371 38.000 -0.589 0.000 1.293 236 I HN 0.300 nan 8.210 nan 0.000 0.449 237 K N 5.024 125.389 120.400 -0.058 0.000 2.258 237 K HA 0.516 4.828 4.320 -0.015 0.000 0.284 237 K C -0.968 175.625 176.600 -0.012 0.000 1.051 237 K CA -0.275 55.983 56.287 -0.048 0.000 0.923 237 K CB 0.678 33.167 32.500 -0.019 0.000 1.046 237 K HN 0.682 nan 8.250 nan 0.000 0.474 238 L N 5.254 126.427 121.223 -0.084 0.000 2.417 238 L HA 0.361 4.692 4.340 -0.015 0.000 0.268 238 L C -0.158 176.617 176.870 -0.159 0.000 1.158 238 L CA -0.627 54.158 54.840 -0.092 0.000 0.819 238 L CB 0.421 42.401 42.059 -0.131 0.000 1.112 238 L HN 0.463 nan 8.230 nan 0.000 0.458 239 L N 2.918 123.983 121.223 -0.264 0.000 2.346 239 L HA 0.521 4.852 4.340 -0.015 0.000 0.274 239 L C -2.362 174.318 176.870 -0.317 0.000 1.007 239 L CA -2.158 52.416 54.840 -0.443 0.000 0.818 239 L CB 1.872 43.352 42.059 -0.964 0.000 1.284 239 L HN 0.310 nan 8.230 nan 0.000 0.424 240 P HA 0.137 nan 4.420 nan 0.000 0.271 240 P C -1.075 176.320 177.300 0.158 0.000 1.216 240 P CA -0.194 62.912 63.100 0.010 0.000 0.776 240 P CB 0.941 32.715 31.700 0.124 0.000 0.881 241 V N 0.508 120.389 119.914 -0.055 0.000 2.925 241 V HA 0.718 4.829 4.120 -0.015 0.000 0.311 241 V C -2.820 173.069 176.094 -0.342 0.000 1.104 241 V CA -3.127 59.039 62.300 -0.223 0.000 0.954 241 V CB 1.834 33.474 31.823 -0.305 0.000 1.022 241 V HN 0.243 nan 8.190 nan 0.000 0.427 242 P HA 0.306 nan 4.420 nan 0.000 0.272 242 P C 0.609 177.774 177.300 -0.225 0.000 1.240 242 P CA -0.144 62.722 63.100 -0.390 0.000 0.791 242 P CB 0.661 32.053 31.700 -0.513 0.000 0.978 243 E N 0.274 120.385 120.200 -0.148 0.000 2.160 243 E HA -0.121 4.220 4.350 -0.015 0.000 0.195 243 E C 0.095 176.648 176.600 -0.079 0.000 0.991 243 E CA 1.538 57.886 56.400 -0.087 0.000 0.810 243 E CB 0.027 29.686 29.700 -0.069 0.000 0.742 243 E HN 0.377 nan 8.360 nan 0.000 0.466 244 K N 0.558 120.887 120.400 -0.118 0.000 2.443 244 K HA 0.345 4.656 4.320 -0.015 0.000 0.252 244 K C -0.100 176.391 176.600 -0.181 0.000 0.933 244 K CA -0.625 55.596 56.287 -0.110 0.000 0.792 244 K CB 2.478 34.929 32.500 -0.083 0.000 1.185 244 K HN -0.102 nan 8.250 nan 0.000 0.425 245 V N -1.237 118.571 119.914 -0.177 0.000 3.166 245 V HA 0.735 4.846 4.120 -0.015 0.000 0.317 245 V C -0.182 175.778 176.094 -0.223 0.000 1.136 245 V CA -0.643 61.474 62.300 -0.306 0.000 1.035 245 V CB 1.958 33.546 31.823 -0.392 0.000 1.110 245 V HN 0.635 nan 8.190 nan 0.000 0.450 246 T N 1.904 116.303 114.554 -0.260 0.000 2.824 246 T HA 0.749 5.090 4.350 -0.015 0.000 0.282 246 T C -0.390 174.275 174.700 -0.059 0.000 0.993 246 T CA -0.306 61.771 62.100 -0.038 0.000 0.967 246 T CB 1.325 70.301 68.868 0.181 0.000 0.960 246 T HN 1.370 nan 8.240 nan 0.000 0.441 247 V N 0.615 120.544 119.914 0.025 0.000 3.102 247 V HA 1.013 5.124 4.120 -0.015 0.000 0.312 247 V C -1.343 174.799 176.094 0.081 0.000 1.135 247 V CA -1.475 60.830 62.300 0.008 0.000 1.022 247 V CB 1.752 33.628 31.823 0.088 0.000 1.056 247 V HN 0.850 nan 8.190 nan 0.000 0.436 248 F N -0.683 119.280 119.950 0.022 0.000 2.631 248 F HA 0.867 5.385 4.527 -0.014 0.000 0.308 248 F C -0.673 175.118 175.800 -0.015 0.000 1.097 248 F CA -1.204 56.755 58.000 -0.067 0.000 0.952 248 F CB 2.110 40.905 39.000 -0.342 0.000 1.307 248 F HN 0.779 nan 8.300 nan 0.000 0.450 249 R N 2.932 123.581 120.500 0.249 0.000 2.521 249 R HA 0.679 5.011 4.340 -0.015 0.000 0.295 249 R C -2.504 173.847 176.300 0.084 0.000 1.183 249 R CA -0.463 55.705 56.100 0.112 0.000 0.957 249 R CB 1.827 32.123 30.300 -0.007 0.000 1.171 249 R HN 0.767 nan 8.270 nan 0.000 0.494 250 V N 3.250 123.212 119.914 0.080 0.000 2.531 250 V HA 0.364 4.475 4.120 -0.015 0.000 0.301 250 V C -0.109 175.975 176.094 -0.017 0.000 1.034 250 V CA -0.672 61.623 62.300 -0.008 0.000 0.865 250 V CB 2.172 33.936 31.823 -0.098 0.000 0.995 250 V HN 0.643 nan 8.190 nan 0.000 0.424 251 T N 5.588 120.128 114.554 -0.023 0.000 2.744 251 T HA 0.378 4.719 4.350 -0.015 0.000 0.291 251 T C -0.142 174.558 174.700 0.000 0.000 0.957 251 T CA -0.674 61.431 62.100 0.009 0.000 1.002 251 T CB 0.580 69.445 68.868 -0.004 0.000 0.919 251 T HN 0.392 nan 8.240 nan 0.000 0.468 252 K N 4.003 124.409 120.400 0.011 0.000 2.227 252 K HA 0.304 4.615 4.320 -0.015 0.000 0.280 252 K C -0.176 176.450 176.600 0.042 0.000 1.041 252 K CA -0.555 55.729 56.287 -0.005 0.000 0.905 252 K CB 0.770 33.245 32.500 -0.041 0.000 1.068 252 K HN 0.461 nan 8.250 nan 0.000 0.470 253 N N 2.753 121.472 118.700 0.032 0.000 2.546 253 N HA 0.228 4.959 4.740 -0.015 0.000 0.238 253 N C -0.140 175.387 175.510 0.029 0.000 0.984 253 N CA -0.239 52.843 53.050 0.053 0.000 0.935 253 N CB 1.425 39.935 38.487 0.039 0.000 1.122 253 N HN 0.362 nan 8.380 nan 0.000 0.510 254 V N -1.219 118.712 119.914 0.028 0.000 3.156 254 V HA 0.952 5.064 4.120 -0.015 0.000 0.310 254 V C -0.154 175.946 176.094 0.010 0.000 1.234 254 V CA -1.114 61.194 62.300 0.013 0.000 1.065 254 V CB 1.255 33.079 31.823 0.002 0.000 1.088 254 V HN 0.464 nan 8.190 nan 0.000 0.451 255 A N -0.122 122.703 122.820 0.008 0.000 2.248 255 A HA 0.748 5.059 4.320 -0.015 0.000 0.316 255 A C 0.906 178.484 177.584 -0.011 0.000 1.101 255 A CA -0.152 51.886 52.037 0.003 0.000 0.875 255 A CB 0.832 19.842 19.000 0.016 0.000 1.207 255 A HN 1.291 nan 8.150 nan 0.000 0.504 256 I N -0.596 119.952 120.570 -0.036 0.000 2.361 256 I HA -0.190 3.971 4.170 -0.015 0.000 0.251 256 I C 1.301 177.418 176.117 -0.001 0.000 1.133 256 I CA 1.707 62.950 61.300 -0.095 0.000 1.413 256 I CB -0.063 37.780 38.000 -0.261 0.000 1.073 256 I HN 0.680 nan 8.210 nan 0.000 0.424 257 D N 0.482 120.932 120.400 0.083 0.000 2.097 257 D HA -0.269 4.362 4.640 -0.015 0.000 0.195 257 D C 1.934 178.299 176.300 0.107 0.000 0.989 257 D CA 1.593 55.683 54.000 0.150 0.000 0.827 257 D CB -0.149 40.730 40.800 0.132 0.000 0.966 257 D HN 0.549 nan 8.370 nan 0.000 0.456 258 E N 0.585 120.826 120.200 0.069 0.000 2.072 258 E HA -0.092 4.249 4.350 -0.015 0.000 0.190 258 E C 2.038 178.669 176.600 0.050 0.000 0.982 258 E CA 0.821 57.258 56.400 0.061 0.000 0.803 258 E CB 0.054 29.778 29.700 0.041 0.000 0.755 258 E HN 0.126 nan 8.360 nan 0.000 0.453 259 A N 0.320 123.151 122.820 0.018 0.000 1.933 259 A HA -0.174 4.137 4.320 -0.015 0.000 0.218 259 A C 2.366 179.948 177.584 -0.003 0.000 1.175 259 A CA 2.024 54.051 52.037 -0.017 0.000 0.628 259 A CB -0.945 18.020 19.000 -0.059 0.000 0.814 259 A HN 0.332 nan 8.150 nan 0.000 0.444 260 T N 0.521 115.108 114.554 0.054 0.000 2.737 260 T HA -0.142 4.200 4.350 -0.015 0.000 0.265 260 T C 2.355 177.140 174.700 0.141 0.000 1.038 260 T CA 1.997 64.174 62.100 0.129 0.000 1.144 260 T CB -0.428 68.597 68.868 0.262 0.000 0.866 260 T HN 0.800 nan 8.240 nan 0.000 0.434 261 S N 1.611 117.398 115.700 0.145 0.000 2.402 261 S HA 0.048 4.509 4.470 -0.015 0.000 0.229 261 S C 2.091 176.820 174.600 0.214 0.000 1.021 261 S CA 0.612 58.921 58.200 0.182 0.000 0.974 261 S CB -0.756 62.536 63.200 0.152 0.000 0.800 261 S HN 0.384 nan 8.310 nan 0.000 0.484 262 L N 0.679 122.005 121.223 0.171 0.000 2.027 262 L HA -0.001 4.331 4.340 -0.015 0.000 0.206 262 L C 2.664 179.674 176.870 0.233 0.000 1.074 262 L CA 1.231 56.225 54.840 0.256 0.000 0.745 262 L CB -0.562 41.572 42.059 0.124 0.000 0.898 262 L HN 0.310 nan 8.230 nan 0.000 0.433 263 L N -1.237 119.952 121.223 -0.056 0.000 2.093 263 L HA -0.251 4.080 4.340 -0.015 0.000 0.208 263 L C 2.724 179.339 176.870 -0.424 0.000 1.085 263 L CA 1.116 55.704 54.840 -0.418 0.000 0.755 263 L CB -0.840 40.592 42.059 -1.046 0.000 0.904 263 L HN 0.414 nan 8.230 nan 0.000 0.435 264 H N 0.937 119.862 119.070 -0.242 0.000 2.387 264 H HA -0.210 4.337 4.556 -0.014 0.000 0.299 264 H C 2.254 177.685 175.328 0.171 0.000 1.090 264 H CA 1.940 58.057 56.048 0.115 0.000 1.332 264 H CB 0.351 30.272 29.762 0.265 0.000 1.386 264 H HN 0.247 nan 8.280 nan 0.000 0.516 265 K N -0.096 120.402 120.400 0.163 0.000 2.103 265 K HA -0.148 4.163 4.320 -0.015 0.000 0.204 265 K C 2.291 178.784 176.600 -0.178 0.000 1.052 265 K CA 1.066 57.376 56.287 0.039 0.000 0.945 265 K CB -0.426 32.055 32.500 -0.032 0.000 0.722 265 K HN 0.276 nan 8.250 nan 0.000 0.443 266 W N 2.866 124.044 121.300 -0.202 0.000 2.321 266 W HA -0.325 4.326 4.660 -0.016 0.000 0.306 266 W C 1.979 178.421 176.519 -0.129 0.000 1.217 266 W CA 2.533 59.819 57.345 -0.098 0.000 1.257 266 W CB -0.305 29.228 29.460 0.121 0.000 1.145 266 W HN 0.305 nan 8.180 nan 0.000 0.509 267 Q N -1.376 118.144 119.800 -0.467 0.000 2.170 267 Q HA -0.225 4.106 4.340 -0.015 0.000 0.203 267 Q C 1.930 177.424 176.000 -0.843 0.000 0.976 267 Q CA 1.864 57.120 55.803 -0.911 0.000 0.858 267 Q CB -1.285 27.144 28.738 -0.516 0.000 0.907 267 Q HN 0.380 nan 8.270 nan 0.000 0.433 268 F N 0.932 120.641 119.950 -0.402 0.000 2.187 268 F HA -0.041 4.478 4.527 -0.015 0.000 0.295 268 F C 2.382 177.985 175.800 -0.329 0.000 1.091 268 F CA 0.522 58.333 58.000 -0.315 0.000 1.308 268 F CB -0.572 38.274 39.000 -0.257 0.000 1.030 268 F HN -0.123 nan 8.300 nan 0.000 0.487 269 V N 0.284 120.053 119.914 -0.242 0.000 2.287 269 V HA -0.332 3.779 4.120 -0.015 0.000 0.248 269 V C 2.587 178.561 176.094 -0.199 0.000 1.053 269 V CA 1.889 64.054 62.300 -0.225 0.000 1.027 269 V CB -1.394 30.265 31.823 -0.275 0.000 0.646 269 V HN 0.358 nan 8.190 nan 0.000 0.447 270 A N -0.409 122.156 122.820 -0.425 0.000 1.835 270 A HA -0.273 4.038 4.320 -0.015 0.000 0.215 270 A C 2.322 179.810 177.584 -0.160 0.000 1.199 270 A CA 1.934 53.770 52.037 -0.335 0.000 0.615 270 A CB -0.658 17.839 19.000 -0.838 0.000 0.838 270 A HN 0.580 nan 8.150 nan 0.000 0.444 271 E N -0.253 119.812 120.200 -0.225 0.000 2.153 271 E HA -0.218 4.123 4.350 -0.015 0.000 0.194 271 E C 1.714 178.299 176.600 -0.025 0.000 0.988 271 E CA 1.429 57.782 56.400 -0.078 0.000 0.811 271 E CB -0.071 29.570 29.700 -0.098 0.000 0.746 271 E HN 0.771 nan 8.360 nan 0.000 0.466 272 E N -0.018 120.152 120.200 -0.051 0.000 2.318 272 E HA 0.074 4.415 4.350 -0.015 0.000 0.193 272 E C 0.360 176.940 176.600 -0.034 0.000 0.998 272 E CA -0.315 56.067 56.400 -0.030 0.000 0.859 272 E CB 0.249 29.927 29.700 -0.036 0.000 0.812 272 E HN 0.195 nan 8.360 nan 0.000 0.492 273 L N 2.436 123.638 121.223 -0.035 0.000 2.536 273 L HA -0.087 4.244 4.340 -0.015 0.000 0.294 273 L C 0.747 177.639 176.870 0.038 0.000 1.257 273 L CA 0.429 55.242 54.840 -0.044 0.000 0.850 273 L CB 0.231 42.307 42.059 0.029 0.000 1.105 273 L HN 0.110 nan 8.230 nan 0.000 0.517 274 E N 1.392 121.628 120.200 0.061 0.000 2.422 274 E HA -0.100 4.241 4.350 -0.015 0.000 0.260 274 E C 0.885 177.623 176.600 0.231 0.000 1.108 274 E CA 0.179 56.673 56.400 0.158 0.000 0.943 274 E CB 0.453 30.284 29.700 0.219 0.000 0.961 274 E HN 0.650 nan 8.360 nan 0.000 0.443 275 E N 1.416 121.677 120.200 0.100 0.000 2.265 275 E HA -0.234 4.108 4.350 -0.015 0.000 0.196 275 E C 0.348 176.945 176.600 -0.006 0.000 0.996 275 E CA 1.087 57.493 56.400 0.011 0.000 0.832 275 E CB 0.074 29.709 29.700 -0.108 0.000 0.756 275 E HN 0.351 nan 8.360 nan 0.000 0.491 276 D N -0.189 120.239 120.400 0.047 0.000 2.363 276 D HA 0.100 4.731 4.640 -0.015 0.000 0.226 276 D C -0.710 175.561 176.300 -0.048 0.000 1.020 276 D CA 0.465 54.427 54.000 -0.063 0.000 0.892 276 D CB -0.044 40.697 40.800 -0.098 0.000 0.900 276 D HN 0.156 nan 8.370 nan 0.000 0.531 277 F N -0.634 119.480 119.950 0.272 0.000 2.551 277 F HA 0.411 4.932 4.527 -0.012 0.000 0.316 277 F C 0.382 176.370 175.800 0.313 0.000 1.089 277 F CA -0.804 57.404 58.000 0.347 0.000 0.915 277 F CB 2.189 41.308 39.000 0.199 0.000 1.186 277 F HN -0.491 nan 8.300 nan 0.000 0.456 278 T N 3.490 118.389 114.554 0.576 0.000 2.921 278 T HA 0.568 4.910 4.350 -0.015 0.000 0.297 278 T C -1.772 173.206 174.700 0.464 0.000 1.013 278 T CA -0.471 61.887 62.100 0.430 0.000 0.990 278 T CB 1.717 70.758 68.868 0.288 0.000 1.023 278 T HN 0.419 nan 8.240 nan 0.000 0.447 279 L N 3.075 124.585 121.223 0.478 0.000 2.372 279 L HA 0.760 5.091 4.340 -0.015 0.000 0.274 279 L C -0.642 176.604 176.870 0.627 0.000 0.988 279 L CA 0.074 55.219 54.840 0.508 0.000 0.833 279 L CB 1.439 43.908 42.059 0.683 0.000 1.236 279 L HN 0.638 nan 8.230 nan 0.000 0.410 280 S N 2.814 118.749 115.700 0.393 0.000 2.677 280 S HA 0.926 5.387 4.470 -0.015 0.000 0.304 280 S C -1.065 173.542 174.600 0.013 0.000 1.108 280 S CA -0.662 57.726 58.200 0.313 0.000 0.944 280 S CB 2.249 65.590 63.200 0.236 0.000 1.127 280 S HN 0.397 nan 8.310 nan 0.000 0.511 281 V N 1.583 121.373 119.914 -0.207 0.000 2.841 281 V HA 0.542 4.653 4.120 -0.015 0.000 0.310 281 V C -1.185 174.798 176.094 -0.185 0.000 1.090 281 V CA -0.698 61.415 62.300 -0.312 0.000 0.930 281 V CB 1.592 33.007 31.823 -0.680 0.000 1.014 281 V HN 0.688 nan 8.190 nan 0.000 0.425 282 L N 2.937 124.102 121.223 -0.097 0.000 2.346 282 L HA 0.980 5.311 4.340 -0.015 0.000 0.276 282 L C 0.411 177.193 176.870 -0.147 0.000 1.006 282 L CA -0.342 54.498 54.840 0.001 0.000 0.817 282 L CB 2.083 44.216 42.059 0.124 0.000 1.272 282 L HN 0.832 nan 8.230 nan 0.000 0.421 283 G N 0.484 109.074 108.800 -0.351 0.000 2.659 283 G HA2 0.784 4.735 3.960 -0.015 0.000 0.296 283 G HA3 0.784 4.735 3.960 -0.015 0.000 0.296 283 G C -1.147 173.047 174.900 -1.178 0.000 1.369 283 G CA -0.381 44.196 45.100 -0.871 0.000 0.937 283 G HN 0.859 nan 8.290 nan 0.000 0.485 284 G N -1.350 106.305 108.800 -1.909 0.000 2.600 284 G HA2 0.984 4.936 3.960 -0.015 0.000 0.293 284 G HA3 0.984 4.936 3.960 -0.015 0.000 0.293 284 G C -1.134 173.281 174.900 -0.809 0.000 1.408 284 G CA 0.328 44.814 45.100 -1.024 0.000 0.782 284 G HN 1.887 nan 8.290 nan 0.000 0.482 285 A N -0.718 122.018 122.820 -0.141 0.000 2.581 285 A HA 0.798 5.109 4.320 -0.015 0.000 0.290 285 A C -2.280 175.372 177.584 0.113 0.000 1.119 285 A CA -0.311 51.727 52.037 0.002 0.000 0.670 285 A CB 2.273 21.236 19.000 -0.061 0.000 1.280 285 A HN 0.900 nan 8.150 nan 0.000 0.425 286 D N 0.235 120.692 120.400 0.095 0.000 2.365 286 D HA 0.399 5.031 4.640 -0.015 0.000 0.235 286 D C 0.316 176.642 176.300 0.043 0.000 1.368 286 D CA 0.228 54.270 54.000 0.070 0.000 1.001 286 D CB 0.577 41.428 40.800 0.085 0.000 1.364 286 D HN 0.517 nan 8.370 nan 0.000 0.577 287 E N 2.114 122.330 120.200 0.026 0.000 3.289 287 E HA -0.315 4.026 4.350 -0.015 0.000 0.386 287 E C 0.755 177.360 176.600 0.009 0.000 1.526 287 E CA 1.233 57.643 56.400 0.017 0.000 1.519 287 E CB -0.828 28.883 29.700 0.018 0.000 1.657 287 E HN 0.591 nan 8.360 nan 0.000 0.479 288 K N 1.390 121.797 120.400 0.012 0.000 2.432 288 K HA 0.014 4.326 4.320 -0.015 0.000 0.196 288 K C 0.692 177.300 176.600 0.012 0.000 1.038 288 K CA 0.469 56.760 56.287 0.007 0.000 0.986 288 K CB 0.007 32.514 32.500 0.012 0.000 0.782 288 K HN 0.235 nan 8.250 nan 0.000 0.485 289 Q N 1.452 121.270 119.800 0.029 0.000 2.360 289 Q HA 0.237 4.568 4.340 -0.015 0.000 0.254 289 Q C -1.055 174.985 176.000 0.067 0.000 0.975 289 Q CA -0.426 55.408 55.803 0.051 0.000 0.912 289 Q CB 1.812 30.590 28.738 0.066 0.000 1.212 289 Q HN -0.094 nan 8.270 nan 0.000 0.452 290 V N 4.041 123.978 119.914 0.038 0.000 2.483 290 V HA 0.476 4.588 4.120 -0.015 0.000 0.295 290 V C -0.409 175.725 176.094 0.067 0.000 1.035 290 V CA -0.813 61.479 62.300 -0.013 0.000 0.896 290 V CB 0.951 32.726 31.823 -0.079 0.000 0.986 290 V HN 0.714 nan 8.190 nan 0.000 0.447 291 W N 4.860 126.139 121.300 -0.035 0.000 2.656 291 W HA 0.815 5.466 4.660 -0.015 0.000 0.327 291 W C -2.066 174.419 176.519 -0.058 0.000 1.041 291 W CA -1.277 56.037 57.345 -0.051 0.000 1.229 291 W CB 1.182 30.605 29.460 -0.060 0.000 1.397 291 W HN 0.349 nan 8.180 nan 0.000 0.479 292 L N 4.067 125.344 121.223 0.090 0.000 2.372 292 L HA 0.341 4.672 4.340 -0.015 0.000 0.274 292 L C -0.094 176.830 176.870 0.090 0.000 0.988 292 L CA -0.532 54.289 54.840 -0.033 0.000 0.833 292 L CB 2.282 44.270 42.059 -0.117 0.000 1.236 292 L HN 0.339 nan 8.230 nan 0.000 0.410 293 T N 4.391 119.030 114.554 0.142 0.000 2.733 293 T HA 0.465 4.807 4.350 -0.015 0.000 0.294 293 T C 0.124 174.825 174.700 0.001 0.000 0.956 293 T CA -0.532 61.622 62.100 0.090 0.000 0.987 293 T CB 0.682 69.621 68.868 0.119 0.000 0.920 293 T HN 0.258 nan 8.240 nan 0.000 0.470 294 M N 4.578 124.184 119.600 0.009 0.000 2.108 294 M HA 0.399 4.870 4.480 -0.015 0.000 0.354 294 M C -0.566 175.788 176.300 0.089 0.000 1.229 294 M CA -0.577 54.752 55.300 0.048 0.000 1.081 294 M CB 0.384 33.032 32.600 0.081 0.000 1.606 294 M HN 0.411 nan 8.290 nan 0.000 0.467 295 L N 2.909 124.133 121.223 0.001 0.000 2.298 295 L HA 0.751 5.082 4.340 -0.015 0.000 0.284 295 L C 0.578 177.271 176.870 -0.295 0.000 1.013 295 L CA -0.576 54.189 54.840 -0.125 0.000 0.824 295 L CB 1.648 43.651 42.059 -0.094 0.000 1.221 295 L HN 0.836 nan 8.230 nan 0.000 0.418 296 G N 2.318 110.574 108.800 -0.907 0.000 2.452 296 G HA2 0.663 4.614 3.960 -0.015 0.000 0.324 296 G HA3 0.663 4.614 3.960 -0.015 0.000 0.324 296 G C -1.875 172.782 174.900 -0.406 0.000 1.214 296 G CA -0.328 44.086 45.100 -1.143 0.000 0.947 296 G HN 0.354 nan 8.290 nan 0.000 0.478 297 F N 1.653 121.548 119.950 -0.091 0.000 2.574 297 F HA 0.619 5.135 4.527 -0.018 0.000 0.313 297 F C -1.085 174.884 175.800 0.282 0.000 1.130 297 F CA -0.924 57.134 58.000 0.095 0.000 0.936 297 F CB 2.400 41.466 39.000 0.111 0.000 1.219 297 F HN 0.626 nan 8.300 nan 0.000 0.445 298 H N 5.231 124.060 119.070 -0.402 0.000 2.667 298 H HA 0.298 4.846 4.556 -0.012 0.000 0.353 298 H C -1.406 173.604 175.328 -0.530 0.000 1.072 298 H CA -1.135 54.703 56.048 -0.350 0.000 1.214 298 H CB 1.183 30.839 29.762 -0.176 0.000 1.600 298 H HN 0.585 nan 8.280 nan 0.000 0.527 299 F N 5.293 124.717 119.950 -0.877 0.000 2.626 299 F HA 0.404 4.925 4.527 -0.010 0.000 0.374 299 F C 0.730 175.970 175.800 -0.935 0.000 1.184 299 F CA 1.505 59.117 58.000 -0.648 0.000 1.339 299 F CB -0.855 37.958 39.000 -0.311 0.000 1.730 299 F HN 0.774 nan 8.300 nan 0.000 0.650 300 G N 1.012 109.233 108.800 -0.965 0.000 2.323 300 G HA2 0.214 4.165 3.960 -0.015 0.000 0.291 300 G HA3 0.214 4.165 3.960 -0.015 0.000 0.291 300 G C -1.527 173.243 174.900 -0.218 0.000 1.278 300 G CA -1.085 43.657 45.100 -0.596 0.000 0.860 300 G HN 0.171 nan 8.290 nan 0.000 0.504 301 L N 0.746 121.973 121.223 0.007 0.000 2.454 301 L HA 0.385 4.716 4.340 -0.015 0.000 0.256 301 L C 2.208 179.164 176.870 0.144 0.000 1.136 301 L CA -0.632 54.239 54.840 0.053 0.000 0.804 301 L CB 1.272 43.344 42.059 0.021 0.000 1.181 301 L HN 0.920 nan 8.230 nan 0.000 0.469 302 K N -0.967 119.483 120.400 0.084 0.000 2.217 302 K HA -0.073 4.238 4.320 -0.015 0.000 0.202 302 K C 1.377 177.945 176.600 -0.054 0.000 1.051 302 K CA 1.344 57.668 56.287 0.062 0.000 0.952 302 K CB -0.294 32.242 32.500 0.061 0.000 0.736 302 K HN 0.593 nan 8.250 nan 0.000 0.453 303 T N 1.654 116.194 114.554 -0.023 0.000 2.708 303 T HA -0.079 4.262 4.350 -0.015 0.000 0.266 303 T C 2.058 176.737 174.700 -0.035 0.000 1.037 303 T CA 1.476 63.547 62.100 -0.048 0.000 1.146 303 T CB -0.185 68.673 68.868 -0.016 0.000 0.865 303 T HN 0.039 nan 8.240 nan 0.000 0.435 304 V N 1.643 121.574 119.914 0.028 0.000 2.358 304 V HA -0.121 3.991 4.120 -0.015 0.000 0.246 304 V C 2.888 178.990 176.094 0.013 0.000 1.047 304 V CA 1.547 63.873 62.300 0.043 0.000 1.035 304 V CB -1.227 30.677 31.823 0.135 0.000 0.658 304 V HN 0.515 nan 8.190 nan 0.000 0.452 305 A N -0.005 122.839 122.820 0.041 0.000 1.883 305 A HA -0.305 4.006 4.320 -0.015 0.000 0.217 305 A C 2.347 180.053 177.584 0.204 0.000 1.186 305 A CA 2.441 54.618 52.037 0.234 0.000 0.624 305 A CB -0.502 18.778 19.000 0.467 0.000 0.822 305 A HN 0.525 nan 8.150 nan 0.000 0.444 306 K N 0.120 120.380 120.400 -0.233 0.000 2.103 306 K HA -0.121 4.190 4.320 -0.015 0.000 0.204 306 K C 2.289 178.846 176.600 -0.071 0.000 1.052 306 K CA 1.573 57.627 56.287 -0.387 0.000 0.945 306 K CB -0.179 31.870 32.500 -0.751 0.000 0.722 306 K HN 0.621 nan 8.250 nan 0.000 0.443 307 S N -0.375 115.279 115.700 -0.077 0.000 2.382 307 S HA -0.134 4.328 4.470 -0.015 0.000 0.228 307 S C 1.931 176.486 174.600 -0.074 0.000 1.027 307 S CA 1.713 59.882 58.200 -0.052 0.000 0.991 307 S CB -0.679 62.494 63.200 -0.046 0.000 0.823 307 S HN 0.263 nan 8.310 nan 0.000 0.469 308 T N 1.575 116.040 114.554 -0.148 0.000 2.737 308 T HA 0.092 4.434 4.350 -0.015 0.000 0.265 308 T C 1.247 175.747 174.700 -0.334 0.000 1.038 308 T CA 1.442 63.314 62.100 -0.380 0.000 1.144 308 T CB -0.498 67.863 68.868 -0.845 0.000 0.866 308 T HN 0.453 nan 8.240 nan 0.000 0.434 309 F N 1.525 121.495 119.950 0.033 0.000 2.367 309 F HA 0.062 4.579 4.527 -0.016 0.000 0.298 309 F C 2.203 178.069 175.800 0.109 0.000 1.094 309 F CA 0.331 58.411 58.000 0.133 0.000 1.409 309 F CB -0.457 38.697 39.000 0.256 0.000 1.064 309 F HN 0.059 nan 8.300 nan 0.000 0.528 310 D N 0.129 120.650 120.400 0.202 0.000 2.117 310 D HA -0.158 4.473 4.640 -0.015 0.000 0.197 310 D C 2.269 178.623 176.300 0.089 0.000 0.987 310 D CA 1.011 55.085 54.000 0.123 0.000 0.829 310 D CB -0.427 40.409 40.800 0.060 0.000 0.961 310 D HN 0.196 nan 8.370 nan 0.000 0.460 311 L N -0.040 121.205 121.223 0.037 0.000 2.044 311 L HA 0.007 4.338 4.340 -0.015 0.000 0.205 311 L C 1.964 178.847 176.870 0.022 0.000 1.075 311 L CA 1.413 56.256 54.840 0.005 0.000 0.747 311 L CB -0.263 41.766 42.059 -0.051 0.000 0.903 311 L HN -0.009 nan 8.230 nan 0.000 0.435 312 L N -2.291 118.945 121.223 0.022 0.000 2.307 312 L HA 0.062 4.393 4.340 -0.015 0.000 0.211 312 L C 0.666 177.636 176.870 0.167 0.000 1.099 312 L CA 0.415 55.268 54.840 0.022 0.000 0.816 312 L CB 0.126 42.132 42.059 -0.088 0.000 0.952 312 L HN 0.165 nan 8.230 nan 0.000 0.455 313 F N 1.062 121.091 119.950 0.132 0.000 2.577 313 F HA 0.240 4.758 4.527 -0.015 0.000 0.359 313 F C -1.814 174.067 175.800 0.136 0.000 1.535 313 F CA -1.410 56.692 58.000 0.170 0.000 1.093 313 F CB 1.245 40.417 39.000 0.286 0.000 1.613 313 F HN -0.142 nan 8.300 nan 0.000 0.558 314 P HA -0.149 nan 4.420 nan 0.000 0.222 314 P C 0.804 178.168 177.300 0.107 0.000 1.147 314 P CA 1.211 64.409 63.100 0.163 0.000 0.790 314 P CB 0.296 32.071 31.700 0.124 0.000 0.780 315 E N 0.046 120.361 120.200 0.191 0.000 2.265 315 E HA -0.095 4.247 4.350 -0.015 0.000 0.196 315 E C 2.056 178.594 176.600 -0.103 0.000 0.996 315 E CA 0.660 57.125 56.400 0.108 0.000 0.832 315 E CB -0.951 28.918 29.700 0.283 0.000 0.756 315 E HN 0.280 nan 8.360 nan 0.000 0.491 316 L N -0.664 120.354 121.223 -0.343 0.000 2.201 316 L HA -0.045 4.286 4.340 -0.015 0.000 0.212 316 L C 1.386 178.106 176.870 -0.249 0.000 1.105 316 L CA 0.719 55.285 54.840 -0.458 0.000 0.775 316 L CB -0.609 41.051 42.059 -0.665 0.000 0.913 316 L HN 0.389 nan 8.230 nan 0.000 0.440 317 G N 0.909 109.620 108.800 -0.150 0.000 2.273 317 G HA2 -0.287 3.664 3.960 -0.015 0.000 0.280 317 G HA3 -0.287 3.664 3.960 -0.015 0.000 0.280 317 G C 0.170 174.995 174.900 -0.124 0.000 1.047 317 G CA -0.114 44.927 45.100 -0.097 0.000 0.869 317 G HN 0.251 nan 8.290 nan 0.000 0.502 318 L N -0.312 120.809 121.223 -0.170 0.000 2.416 318 L HA 0.476 4.808 4.340 -0.015 0.000 0.272 318 L C 1.258 178.108 176.870 -0.033 0.000 1.161 318 L CA -0.492 54.220 54.840 -0.212 0.000 0.845 318 L CB 0.852 42.662 42.059 -0.414 0.000 1.119 318 L HN 0.249 nan 8.230 nan 0.000 0.464 319 V N -0.200 119.701 119.914 -0.021 0.000 3.096 319 V HA 0.332 4.443 4.120 -0.015 0.000 0.319 319 V C 0.938 177.131 176.094 0.165 0.000 1.103 319 V CA -0.695 61.640 62.300 0.058 0.000 1.016 319 V CB 1.676 33.509 31.823 0.016 0.000 1.090 319 V HN 0.845 nan 8.190 nan 0.000 0.449 320 E N 0.223 120.505 120.200 0.137 0.000 2.097 320 E HA -0.262 4.080 4.350 -0.015 0.000 0.196 320 E C 1.696 178.411 176.600 0.191 0.000 1.000 320 E CA 2.328 58.823 56.400 0.158 0.000 0.804 320 E CB 0.101 29.839 29.700 0.064 0.000 0.740 320 E HN 0.922 nan 8.360 nan 0.000 0.454 321 E N 0.436 120.700 120.200 0.106 0.000 2.418 321 E HA -0.116 4.225 4.350 -0.015 0.000 0.197 321 E C 1.185 177.824 176.600 0.064 0.000 1.026 321 E CA 0.745 57.190 56.400 0.074 0.000 0.862 321 E CB 0.096 29.818 29.700 0.037 0.000 0.799 321 E HN 0.296 nan 8.360 nan 0.000 0.518 322 D N -0.552 119.872 120.400 0.041 0.000 2.234 322 D HA -0.088 4.543 4.640 -0.015 0.000 0.205 322 D C -0.217 176.044 176.300 -0.065 0.000 0.962 322 D CA 0.650 54.601 54.000 -0.082 0.000 0.855 322 D CB 0.064 40.681 40.800 -0.305 0.000 0.951 322 D HN 0.263 nan 8.370 nan 0.000 0.500 323 Y N 0.643 120.982 120.300 0.065 0.000 2.365 323 Y HA 0.321 4.861 4.550 -0.016 0.000 0.340 323 Y C 0.425 176.369 175.900 0.074 0.000 1.016 323 Y CA -0.400 57.780 58.100 0.133 0.000 1.196 323 Y CB 0.756 39.295 38.460 0.132 0.000 1.167 323 Y HN -0.307 nan 8.280 nan 0.000 0.509 324 L N 4.194 125.517 121.223 0.168 0.000 2.341 324 L HA 0.483 4.814 4.340 -0.015 0.000 0.278 324 L C -0.406 176.474 176.870 0.017 0.000 1.005 324 L CA -0.811 54.048 54.840 0.033 0.000 0.818 324 L CB 1.737 43.726 42.059 -0.116 0.000 1.259 324 L HN 0.549 nan 8.230 nan 0.000 0.418 325 E N 5.344 125.543 120.200 -0.002 0.000 2.197 325 E HA 0.648 4.990 4.350 -0.015 0.000 0.281 325 E C -0.605 175.960 176.600 -0.059 0.000 0.995 325 E CA -0.395 55.991 56.400 -0.024 0.000 0.808 325 E CB 1.965 31.658 29.700 -0.011 0.000 1.093 325 E HN 0.539 nan 8.360 nan 0.000 0.394 326 M N -0.869 118.690 119.600 -0.068 0.000 2.880 326 M HA 0.428 4.900 4.480 -0.015 0.000 0.269 326 M C -0.516 175.761 176.300 -0.039 0.000 1.248 326 M CA -1.084 54.177 55.300 -0.064 0.000 0.821 326 M CB 1.529 34.071 32.600 -0.097 0.000 1.650 326 M HN 0.353 nan 8.290 nan 0.000 0.479 327 S N 0.006 115.694 115.700 -0.018 0.000 2.608 327 S HA 0.139 4.600 4.470 -0.015 0.000 0.261 327 S C 0.322 174.959 174.600 0.063 0.000 1.314 327 S CA -0.037 58.175 58.200 0.021 0.000 0.992 327 S CB 0.590 63.806 63.200 0.027 0.000 0.935 327 S HN 0.979 nan 8.310 nan 0.000 0.564 328 W N 2.110 123.371 121.300 -0.065 0.000 2.335 328 W HA 0.046 4.687 4.660 -0.031 0.000 0.311 328 W C 2.146 178.621 176.519 -0.073 0.000 1.213 328 W CA 1.846 59.155 57.345 -0.059 0.000 1.274 328 W CB -1.058 28.319 29.460 -0.140 0.000 1.148 328 W HN 0.845 nan 8.180 nan 0.000 0.498 329 G N 0.059 108.738 108.800 -0.201 0.000 2.418 329 G HA2 -0.294 3.657 3.960 -0.015 0.000 0.217 329 G HA3 -0.294 3.657 3.960 -0.015 0.000 0.217 329 G C 1.308 176.064 174.900 -0.240 0.000 1.158 329 G CA 1.154 46.000 45.100 -0.424 0.000 0.771 329 G HN 0.430 nan 8.290 nan 0.000 0.545 330 E N 0.622 120.768 120.200 -0.091 0.000 2.085 330 E HA -0.170 4.171 4.350 -0.015 0.000 0.194 330 E C 2.919 179.529 176.600 0.018 0.000 0.994 330 E CA 1.434 57.822 56.400 -0.019 0.000 0.801 330 E CB -0.120 29.569 29.700 -0.019 0.000 0.743 330 E HN 0.589 nan 8.360 nan 0.000 0.453 331 S N 0.172 115.873 115.700 0.000 0.000 2.382 331 S HA -0.145 4.316 4.470 -0.015 0.000 0.228 331 S C 1.833 176.553 174.600 0.200 0.000 1.027 331 S CA 0.712 59.000 58.200 0.146 0.000 0.991 331 S CB -0.346 63.018 63.200 0.273 0.000 0.823 331 S HN 0.112 nan 8.310 nan 0.000 0.469 332 F N 2.467 122.203 119.950 -0.356 0.000 2.206 332 F HA 0.343 4.865 4.527 -0.008 0.000 0.298 332 F C 2.852 178.573 175.800 -0.131 0.000 1.090 332 F CA -0.162 57.610 58.000 -0.381 0.000 1.323 332 F CB -1.226 37.244 39.000 -0.883 0.000 1.028 332 F HN 0.326 nan 8.300 nan 0.000 0.492 333 A N -1.086 121.786 122.820 0.087 0.000 1.902 333 A HA -0.260 4.051 4.320 -0.015 0.000 0.217 333 A C 2.121 179.782 177.584 0.128 0.000 1.181 333 A CA 1.516 53.624 52.037 0.118 0.000 0.623 333 A CB -1.407 17.664 19.000 0.119 0.000 0.818 333 A HN 0.415 nan 8.150 nan 0.000 0.443 334 Y N 0.309 120.615 120.300 0.010 0.000 2.163 334 Y HA -0.098 4.443 4.550 -0.015 0.000 0.288 334 Y C 2.013 177.896 175.900 -0.029 0.000 1.136 334 Y CA 1.737 59.836 58.100 -0.002 0.000 1.147 334 Y CB -0.275 38.188 38.460 0.005 0.000 0.987 334 Y HN 0.210 nan 8.280 nan 0.000 0.509 335 L N -0.708 120.532 121.223 0.029 0.000 2.265 335 L HA -0.170 4.161 4.340 -0.015 0.000 0.215 335 L C 2.378 179.144 176.870 -0.173 0.000 1.117 335 L CA 0.989 55.762 54.840 -0.112 0.000 0.782 335 L CB -0.647 41.339 42.059 -0.121 0.000 0.914 335 L HN 0.276 nan 8.230 nan 0.000 0.441 336 A N -0.520 122.276 122.820 -0.039 0.000 2.238 336 A HA 0.276 4.588 4.320 -0.015 0.000 0.208 336 A C 1.751 179.341 177.584 0.011 0.000 1.177 336 A CA 0.693 52.800 52.037 0.117 0.000 0.804 336 A CB -0.387 18.793 19.000 0.299 0.000 0.823 336 A HN 0.489 nan 8.150 nan 0.000 0.482 337 G N -0.976 107.746 108.800 -0.131 0.000 2.143 337 G HA2 -0.217 3.735 3.960 -0.015 0.000 0.248 337 G HA3 -0.217 3.735 3.960 -0.015 0.000 0.248 337 G C 0.092 174.953 174.900 -0.065 0.000 0.991 337 G CA 0.384 45.383 45.100 -0.167 0.000 0.689 337 G HN 0.444 nan 8.290 nan 0.000 0.522 338 L N -0.250 120.972 121.223 -0.002 0.000 2.439 338 L HA 0.370 4.701 4.340 -0.015 0.000 0.261 338 L C 1.696 178.591 176.870 0.041 0.000 1.153 338 L CA -0.870 53.996 54.840 0.043 0.000 0.808 338 L CB 0.423 42.532 42.059 0.084 0.000 1.126 338 L HN 0.005 nan 8.230 nan 0.000 0.460 339 E N 0.422 120.651 120.200 0.049 0.000 2.112 339 E HA -0.027 4.315 4.350 -0.015 0.000 0.190 339 E C 0.440 177.090 176.600 0.083 0.000 0.979 339 E CA 1.017 57.452 56.400 0.057 0.000 0.814 339 E CB 0.218 29.943 29.700 0.041 0.000 0.762 339 E HN 0.823 nan 8.360 nan 0.000 0.460 340 T N -3.813 110.792 114.554 0.085 0.000 2.868 340 T HA 0.311 4.652 4.350 -0.015 0.000 0.306 340 T C 1.027 175.795 174.700 0.112 0.000 1.224 340 T CA -0.670 61.487 62.100 0.094 0.000 1.012 340 T CB 1.606 70.522 68.868 0.081 0.000 1.221 340 T HN -0.248 nan 8.240 nan 0.000 0.499 341 V N 1.518 121.507 119.914 0.125 0.000 2.392 341 V HA -0.178 3.933 4.120 -0.015 0.000 0.249 341 V C 2.887 179.132 176.094 0.251 0.000 1.059 341 V CA 2.575 64.977 62.300 0.171 0.000 1.051 341 V CB -1.103 30.806 31.823 0.143 0.000 0.658 341 V HN 1.033 nan 8.190 nan 0.000 0.455 342 S N -0.759 115.066 115.700 0.209 0.000 2.387 342 S HA -0.315 4.146 4.470 -0.015 0.000 0.230 342 S C 1.951 176.544 174.600 -0.011 0.000 1.035 342 S CA 1.680 59.958 58.200 0.130 0.000 1.014 342 S CB -0.339 62.914 63.200 0.088 0.000 0.836 342 S HN 0.686 nan 8.310 nan 0.000 0.466 343 Q N 0.221 120.045 119.800 0.039 0.000 2.291 343 Q HA 0.019 4.351 4.340 -0.015 0.000 0.205 343 Q C 2.006 178.014 176.000 0.014 0.000 0.970 343 Q CA 0.629 56.443 55.803 0.018 0.000 0.876 343 Q CB -0.337 28.430 28.738 0.047 0.000 0.935 343 Q HN 0.519 nan 8.270 nan 0.000 0.455 344 L N 0.540 121.801 121.223 0.063 0.000 2.127 344 L HA -0.210 4.122 4.340 -0.015 0.000 0.211 344 L C 1.772 178.629 176.870 -0.021 0.000 1.089 344 L CA 0.813 55.708 54.840 0.091 0.000 0.757 344 L CB -0.292 41.905 42.059 0.231 0.000 0.899 344 L HN 0.220 nan 8.230 nan 0.000 0.434 345 N N -0.153 118.431 118.700 -0.194 0.000 2.383 345 N HA -0.064 4.667 4.740 -0.015 0.000 0.192 345 N C 0.139 175.512 175.510 -0.228 0.000 1.141 345 N CA 0.106 52.955 53.050 -0.336 0.000 0.851 345 N CB -0.068 37.880 38.487 -0.897 0.000 0.976 345 N HN 0.090 nan 8.380 nan 0.000 0.465 346 N N 0.684 119.296 118.700 -0.147 0.000 2.621 346 N HA 0.092 4.823 4.740 -0.015 0.000 0.237 346 N C 0.847 176.281 175.510 -0.126 0.000 0.997 346 N CA -0.333 52.652 53.050 -0.110 0.000 0.918 346 N CB 0.447 38.907 38.487 -0.044 0.000 1.122 346 N HN 0.238 nan 8.380 nan 0.000 0.510 347 R N 1.915 122.252 120.500 -0.273 0.000 2.237 347 R HA 0.011 4.343 4.340 -0.015 0.000 0.219 347 R C -0.090 175.983 176.300 -0.378 0.000 1.080 347 R CA 1.151 57.011 56.100 -0.399 0.000 0.995 347 R CB -0.218 29.703 30.300 -0.632 0.000 0.875 347 R HN 0.232 nan 8.270 nan 0.000 0.462 348 F N 1.031 120.999 119.950 0.030 0.000 2.639 348 F HA 0.334 4.854 4.527 -0.012 0.000 0.302 348 F C 0.571 176.394 175.800 0.038 0.000 1.097 348 F CA -1.101 56.921 58.000 0.037 0.000 1.294 348 F CB 0.285 39.300 39.000 0.025 0.000 1.027 348 F HN -0.074 nan 8.300 nan 0.000 0.550 349 L N 2.675 123.992 121.223 0.157 0.000 2.433 349 L HA 0.156 4.487 4.340 -0.015 0.000 0.284 349 L C 0.259 177.216 176.870 0.145 0.000 1.120 349 L CA -0.318 54.594 54.840 0.120 0.000 0.879 349 L CB 0.007 42.114 42.059 0.080 0.000 1.232 349 L HN -0.134 nan 8.230 nan 0.000 0.454 350 K N 5.175 125.650 120.400 0.125 0.000 2.447 350 K HA -0.079 4.232 4.320 -0.015 0.000 0.281 350 K C 0.855 177.522 176.600 0.111 0.000 1.031 350 K CA 0.116 56.475 56.287 0.120 0.000 1.019 350 K CB 0.557 33.072 32.500 0.025 0.000 0.918 350 K HN 0.563 nan 8.250 nan 0.000 0.476 351 F N 0.602 120.611 119.950 0.099 0.000 2.186 351 F HA -0.046 4.471 4.527 -0.015 0.000 0.299 351 F C 0.311 176.169 175.800 0.095 0.000 1.090 351 F CA 0.404 58.479 58.000 0.124 0.000 1.307 351 F CB 0.233 39.337 39.000 0.174 0.000 1.019 351 F HN 0.507 nan 8.300 nan 0.000 0.489 352 D N -1.474 118.299 120.400 -1.044 0.000 2.683 352 D HA 0.183 4.815 4.640 -0.015 0.000 0.246 352 D C -0.463 175.460 176.300 -0.628 0.000 1.238 352 D CA -0.466 53.041 54.000 -0.821 0.000 0.759 352 D CB 1.070 41.299 40.800 -0.951 0.000 1.349 352 D HN -0.033 nan 8.370 nan 0.000 0.426 353 E N 0.720 120.715 120.200 -0.341 0.000 2.548 353 E HA 0.195 4.536 4.350 -0.015 0.000 0.206 353 E C -0.184 176.307 176.600 -0.181 0.000 1.005 353 E CA 0.022 56.293 56.400 -0.215 0.000 0.951 353 E CB 0.560 30.177 29.700 -0.139 0.000 1.035 353 E HN 0.255 nan 8.360 nan 0.000 0.470 354 R N 0.327 120.704 120.500 -0.204 0.000 2.428 354 R HA 0.559 4.890 4.340 -0.015 0.000 0.294 354 R C 0.064 176.230 176.300 -0.223 0.000 1.000 354 R CA -0.455 55.520 56.100 -0.208 0.000 0.960 354 R CB 1.456 31.652 30.300 -0.173 0.000 1.076 354 R HN -0.067 nan 8.270 nan 0.000 0.475 355 A N 2.996 125.493 122.820 -0.539 0.000 2.445 355 A HA 0.406 4.717 4.320 -0.015 0.000 0.242 355 A C -0.351 176.695 177.584 -0.897 0.000 1.075 355 A CA 0.108 51.670 52.037 -0.793 0.000 0.777 355 A CB -0.084 18.221 19.000 -1.159 0.000 1.013 355 A HN 0.661 nan 8.150 nan 0.000 0.493 356 F N -0.462 119.093 119.950 -0.659 0.000 2.668 356 F HA 0.821 5.340 4.527 -0.014 0.000 0.309 356 F C -0.885 174.852 175.800 -0.105 0.000 1.117 356 F CA -1.316 56.466 58.000 -0.362 0.000 0.951 356 F CB 1.658 40.583 39.000 -0.126 0.000 1.323 356 F HN 0.520 nan 8.300 nan 0.000 0.451 357 K N 0.940 121.490 120.400 0.249 0.000 2.422 357 K HA 0.704 5.016 4.320 -0.015 0.000 0.251 357 K C -1.579 175.166 176.600 0.242 0.000 0.933 357 K CA -0.252 56.153 56.287 0.198 0.000 0.798 357 K CB 2.264 34.905 32.500 0.235 0.000 1.238 357 K HN 1.026 nan 8.250 nan 0.000 0.428 358 T N 2.242 116.881 114.554 0.142 0.000 2.909 358 T HA 0.647 4.988 4.350 -0.015 0.000 0.299 358 T C -1.494 173.269 174.700 0.104 0.000 1.073 358 T CA -0.685 61.456 62.100 0.068 0.000 0.999 358 T CB 0.747 69.522 68.868 -0.155 0.000 1.098 358 T HN 0.613 nan 8.240 nan 0.000 0.477 359 K N 1.600 122.113 120.400 0.188 0.000 2.444 359 K HA 0.850 5.162 4.320 -0.015 0.000 0.252 359 K C -1.619 175.214 176.600 0.387 0.000 0.993 359 K CA -1.017 55.407 56.287 0.227 0.000 0.847 359 K CB 2.655 35.176 32.500 0.035 0.000 1.340 359 K HN 0.387 nan 8.250 nan 0.000 0.446 360 V N 0.731 120.894 119.914 0.415 0.000 2.971 360 V HA 0.451 4.562 4.120 -0.015 0.000 0.309 360 V C -1.777 174.543 176.094 0.377 0.000 1.130 360 V CA -0.534 61.969 62.300 0.337 0.000 0.964 360 V CB 2.247 34.281 31.823 0.351 0.000 1.029 360 V HN 0.725 nan 8.190 nan 0.000 0.427 361 D N 3.576 124.097 120.400 0.201 0.000 2.527 361 D HA 0.555 5.186 4.640 -0.015 0.000 0.233 361 D C -1.328 174.934 176.300 -0.063 0.000 1.063 361 D CA -0.278 53.797 54.000 0.124 0.000 0.880 361 D CB 2.287 43.184 40.800 0.161 0.000 1.457 361 D HN 0.269 nan 8.370 nan 0.000 0.475 362 L N 1.110 122.245 121.223 -0.146 0.000 2.334 362 L HA 0.514 4.845 4.340 -0.015 0.000 0.273 362 L C 0.733 177.472 176.870 -0.219 0.000 1.013 362 L CA -0.566 54.102 54.840 -0.287 0.000 0.816 362 L CB 1.419 43.205 42.059 -0.455 0.000 1.278 362 L HN 0.512 nan 8.230 nan 0.000 0.431 363 T N -1.551 112.864 114.554 -0.230 0.000 2.932 363 T HA 0.598 4.940 4.350 -0.015 0.000 0.289 363 T C 0.351 174.966 174.700 -0.142 0.000 1.039 363 T CA -0.664 61.344 62.100 -0.153 0.000 1.024 363 T CB 2.674 71.470 68.868 -0.119 0.000 1.090 363 T HN 0.630 nan 8.240 nan 0.000 0.496 364 K N -0.061 120.284 120.400 -0.091 0.000 2.474 364 K HA 0.251 4.562 4.320 -0.015 0.000 0.202 364 K C 0.179 176.758 176.600 -0.036 0.000 1.248 364 K CA 0.035 56.286 56.287 -0.059 0.000 0.946 364 K CB 0.847 33.321 32.500 -0.043 0.000 1.102 364 K HN 0.660 nan 8.250 nan 0.000 0.541 365 E N 1.355 121.535 120.200 -0.033 0.000 2.244 365 E HA 0.291 4.632 4.350 -0.015 0.000 0.266 365 E C -2.768 173.819 176.600 -0.022 0.000 0.914 365 E CA -2.489 53.906 56.400 -0.008 0.000 0.794 365 E CB 1.617 31.323 29.700 0.010 0.000 1.210 365 E HN -0.182 nan 8.360 nan 0.000 0.414 366 P HA -0.022 nan 4.420 nan 0.000 0.267 366 P C -0.755 176.521 177.300 -0.040 0.000 1.200 366 P CA 0.239 63.307 63.100 -0.053 0.000 0.772 366 P CB 0.421 32.180 31.700 0.099 0.000 0.855 367 L N 5.121 126.274 121.223 -0.118 0.000 2.331 367 L HA 0.297 4.628 4.340 -0.015 0.000 0.278 367 L C -1.713 175.125 176.870 -0.053 0.000 1.106 367 L CA -1.933 52.787 54.840 -0.199 0.000 0.824 367 L CB 0.364 42.121 42.059 -0.503 0.000 1.142 367 L HN 0.248 nan 8.230 nan 0.000 0.443 368 P HA 0.018 nan 4.420 nan 0.000 0.274 368 P C 0.498 177.807 177.300 0.015 0.000 1.237 368 P CA -0.344 62.762 63.100 0.010 0.000 0.793 368 P CB 1.236 32.883 31.700 -0.089 0.000 0.977 369 S N 2.214 117.930 115.700 0.026 0.000 2.374 369 S HA -0.222 4.239 4.470 -0.015 0.000 0.227 369 S C 1.630 176.282 174.600 0.087 0.000 1.037 369 S CA 2.041 60.261 58.200 0.033 0.000 1.024 369 S CB -0.840 62.226 63.200 -0.223 0.000 0.861 369 S HN 0.641 nan 8.310 nan 0.000 0.456 370 K N 0.606 120.991 120.400 -0.024 0.000 2.280 370 K HA 0.087 4.398 4.320 -0.015 0.000 0.202 370 K C 2.089 178.699 176.600 0.018 0.000 1.047 370 K CA 1.188 57.489 56.287 0.023 0.000 0.942 370 K CB -0.480 32.022 32.500 0.002 0.000 0.739 370 K HN 0.369 nan 8.250 nan 0.000 0.457 371 A N 1.275 123.888 122.820 -0.345 0.000 1.872 371 A HA -0.014 4.298 4.320 -0.015 0.000 0.214 371 A C 1.780 179.321 177.584 -0.072 0.000 1.187 371 A CA 0.866 52.574 52.037 -0.548 0.000 0.614 371 A CB -0.651 17.567 19.000 -1.305 0.000 0.826 371 A HN 0.299 nan 8.150 nan 0.000 0.442 372 F N -1.694 118.294 119.950 0.063 0.000 2.134 372 F HA -0.111 4.407 4.527 -0.015 0.000 0.299 372 F C 2.188 178.068 175.800 0.134 0.000 1.097 372 F CA 1.181 59.251 58.000 0.118 0.000 1.264 372 F CB -1.038 38.038 39.000 0.128 0.000 1.001 372 F HN 0.397 nan 8.300 nan 0.000 0.479 373 Y N 0.576 121.003 120.300 0.213 0.000 2.128 373 Y HA -0.152 4.389 4.550 -0.014 0.000 0.284 373 Y C 2.569 178.511 175.900 0.069 0.000 1.154 373 Y CA 1.710 59.884 58.100 0.123 0.000 1.149 373 Y CB -0.816 37.696 38.460 0.086 0.000 0.976 373 Y HN 0.018 nan 8.280 nan 0.000 0.505 374 G N -0.333 108.626 108.800 0.266 0.000 2.408 374 G HA2 -0.253 3.698 3.960 -0.015 0.000 0.217 374 G HA3 -0.253 3.698 3.960 -0.015 0.000 0.217 374 G C 1.519 176.247 174.900 -0.287 0.000 1.150 374 G CA 0.917 45.965 45.100 -0.088 0.000 0.776 374 G HN 0.390 nan 8.290 nan 0.000 0.542 375 L N 0.504 121.745 121.223 0.029 0.000 2.017 375 L HA 0.113 4.444 4.340 -0.015 0.000 0.208 375 L C 2.744 179.646 176.870 0.053 0.000 1.073 375 L CA 1.327 56.218 54.840 0.086 0.000 0.745 375 L CB -0.530 41.689 42.059 0.266 0.000 0.894 375 L HN 0.201 nan 8.230 nan 0.000 0.432 376 L N -1.042 120.196 121.223 0.026 0.000 2.093 376 L HA -0.197 4.134 4.340 -0.015 0.000 0.208 376 L C 2.455 179.275 176.870 -0.083 0.000 1.085 376 L CA 1.161 55.974 54.840 -0.045 0.000 0.755 376 L CB -0.555 41.438 42.059 -0.111 0.000 0.904 376 L HN 0.334 nan 8.230 nan 0.000 0.435 377 E N 0.049 120.165 120.200 -0.140 0.000 2.085 377 E HA -0.227 4.114 4.350 -0.015 0.000 0.194 377 E C 2.369 178.964 176.600 -0.008 0.000 0.994 377 E CA 1.143 57.478 56.400 -0.109 0.000 0.801 377 E CB -0.017 29.618 29.700 -0.109 0.000 0.743 377 E HN 0.429 nan 8.360 nan 0.000 0.453 378 R N 0.313 120.816 120.500 0.004 0.000 2.075 378 R HA -0.067 4.265 4.340 -0.015 0.000 0.232 378 R C 2.494 179.069 176.300 0.459 0.000 1.126 378 R CA 0.780 56.991 56.100 0.184 0.000 0.963 378 R CB -0.275 30.018 30.300 -0.011 0.000 0.858 378 R HN 0.158 nan 8.270 nan 0.000 0.435 379 L N 0.831 122.262 121.223 0.347 0.000 2.083 379 L HA -0.188 4.144 4.340 -0.015 0.000 0.209 379 L C 2.600 179.531 176.870 0.102 0.000 1.083 379 L CA 1.533 56.542 54.840 0.281 0.000 0.752 379 L CB -0.519 41.634 42.059 0.156 0.000 0.899 379 L HN 0.293 nan 8.230 nan 0.000 0.433 380 S N -0.512 115.227 115.700 0.065 0.000 2.447 380 S HA -0.172 4.290 4.470 -0.015 0.000 0.233 380 S C 1.766 176.387 174.600 0.034 0.000 1.006 380 S CA 0.860 59.077 58.200 0.028 0.000 0.957 380 S CB -0.221 62.976 63.200 -0.005 0.000 0.773 380 S HN 0.422 nan 8.310 nan 0.000 0.507 381 K N 0.284 120.723 120.400 0.065 0.000 2.393 381 K HA 0.252 4.563 4.320 -0.015 0.000 0.193 381 K C 0.133 176.716 176.600 -0.029 0.000 1.026 381 K CA 0.340 56.658 56.287 0.051 0.000 1.064 381 K CB 0.311 32.878 32.500 0.111 0.000 0.833 381 K HN 0.255 nan 8.250 nan 0.000 0.521 382 E N 0.378 120.497 120.200 -0.136 0.000 2.923 382 E HA 0.167 4.508 4.350 -0.015 0.000 0.266 382 E C -2.526 173.903 176.600 -0.285 0.000 1.157 382 E CA -2.322 53.851 56.400 -0.378 0.000 0.795 382 E CB 1.031 30.006 29.700 -1.209 0.000 1.454 382 E HN -0.191 nan 8.360 nan 0.000 0.386 383 P HA 0.009 nan 4.420 nan 0.000 0.228 383 P C 0.176 177.478 177.300 0.003 0.000 1.151 383 P CA 0.667 63.771 63.100 0.006 0.000 0.770 383 P CB 0.325 32.049 31.700 0.040 0.000 0.786 384 N N -1.035 117.607 118.700 -0.096 0.000 2.461 384 N HA 0.066 4.797 4.740 -0.015 0.000 0.188 384 N C 0.996 176.444 175.510 -0.103 0.000 1.134 384 N CA 0.317 53.291 53.050 -0.126 0.000 0.878 384 N CB -0.203 38.060 38.487 -0.373 0.000 0.972 384 N HN 0.082 nan 8.380 nan 0.000 0.456 385 G N -0.226 108.430 108.800 -0.239 0.000 2.412 385 G HA2 0.565 4.516 3.960 -0.015 0.000 0.318 385 G HA3 0.565 4.516 3.960 -0.015 0.000 0.318 385 G C -0.715 174.341 174.900 0.260 0.000 1.146 385 G CA -0.493 44.500 45.100 -0.178 0.000 0.882 385 G HN 0.176 nan 8.290 nan 0.000 0.501 386 F N -0.266 119.800 119.950 0.194 0.000 2.711 386 F HA 0.770 5.288 4.527 -0.015 0.000 0.313 386 F C -0.859 175.053 175.800 0.186 0.000 1.141 386 F CA -1.723 56.372 58.000 0.158 0.000 0.941 386 F CB 1.390 40.511 39.000 0.200 0.000 1.349 386 F HN 0.628 nan 8.300 nan 0.000 0.464 387 I N 0.291 120.988 120.570 0.212 0.000 2.785 387 I HA 0.992 5.154 4.170 -0.015 0.000 0.302 387 I C -1.219 174.970 176.117 0.120 0.000 1.069 387 I CA -1.313 60.035 61.300 0.079 0.000 1.045 387 I CB 2.100 40.148 38.000 0.080 0.000 1.236 387 I HN 0.995 nan 8.210 nan 0.000 0.429 388 A N 6.026 128.870 122.820 0.040 0.000 2.374 388 A HA 0.857 5.168 4.320 -0.015 0.000 0.305 388 A C -1.098 176.483 177.584 -0.004 0.000 1.053 388 A CA -0.582 51.492 52.037 0.062 0.000 0.726 388 A CB 1.320 20.419 19.000 0.165 0.000 1.229 388 A HN 0.731 nan 8.150 nan 0.000 0.431 389 L N 2.827 124.013 121.223 -0.063 0.000 2.385 389 L HA 0.562 4.893 4.340 -0.015 0.000 0.273 389 L C -0.497 176.484 176.870 0.184 0.000 0.990 389 L CA -0.672 54.141 54.840 -0.045 0.000 0.821 389 L CB 1.992 43.785 42.059 -0.444 0.000 1.279 389 L HN 0.661 nan 8.230 nan 0.000 0.412 390 N N 1.237 120.178 118.700 0.400 0.000 2.225 390 N HA 0.484 5.215 4.740 -0.015 0.000 0.298 390 N C -0.622 175.200 175.510 0.521 0.000 1.076 390 N CA -0.425 52.950 53.050 0.542 0.000 0.792 390 N CB 2.971 41.746 38.487 0.480 0.000 1.498 390 N HN 0.760 nan 8.380 nan 0.000 0.474 391 G N 0.838 109.931 108.800 0.488 0.000 2.400 391 G HA2 0.492 4.444 3.960 -0.015 0.000 0.301 391 G HA3 0.492 4.444 3.960 -0.015 0.000 0.301 391 G C -0.272 174.971 174.900 0.571 0.000 1.154 391 G CA -0.085 45.187 45.100 0.286 0.000 0.852 391 G HN 0.285 nan 8.290 nan 0.000 0.511 392 F N 0.780 120.791 119.950 0.102 0.000 2.589 392 F HA 0.728 5.247 4.527 -0.013 0.000 0.207 392 F C 1.574 177.431 175.800 0.096 0.000 1.028 392 F CA -0.037 58.052 58.000 0.148 0.000 1.009 392 F CB -0.554 38.511 39.000 0.109 0.000 2.173 392 F HN 0.950 nan 8.300 nan 0.000 0.637 393 G N -0.532 108.445 108.800 0.295 0.000 2.693 393 G HA2 0.344 4.296 3.960 -0.015 0.000 0.226 393 G HA3 0.344 4.296 3.960 -0.015 0.000 0.226 393 G C 0.445 175.398 174.900 0.088 0.000 1.354 393 G CA -0.058 45.130 45.100 0.147 0.000 0.873 393 G HN 1.776 nan 8.290 nan 0.000 0.562 394 G N -1.786 107.043 108.800 0.048 0.000 2.634 394 G HA2 -0.188 3.763 3.960 -0.015 0.000 0.309 394 G HA3 -0.188 3.763 3.960 -0.015 0.000 0.309 394 G C 1.201 176.089 174.900 -0.020 0.000 1.265 394 G CA 1.495 46.597 45.100 0.004 0.000 0.998 394 G HN 1.548 nan 8.290 nan 0.000 0.551 395 Q N -0.412 119.348 119.800 -0.067 0.000 2.291 395 Q HA 0.061 4.393 4.340 -0.015 0.000 0.205 395 Q C 2.919 178.888 176.000 -0.052 0.000 0.970 395 Q CA 1.323 57.078 55.803 -0.081 0.000 0.876 395 Q CB -0.225 28.434 28.738 -0.131 0.000 0.935 395 Q HN 0.620 nan 8.270 nan 0.000 0.455 396 M N -0.481 119.098 119.600 -0.034 0.000 2.358 396 M HA -0.058 4.413 4.480 -0.015 0.000 0.264 396 M C 1.633 177.984 176.300 0.085 0.000 1.064 396 M CA 1.012 56.315 55.300 0.004 0.000 1.093 396 M CB -0.486 32.083 32.600 -0.051 0.000 1.401 396 M HN -0.046 nan 8.290 nan 0.000 0.440 397 S N -0.219 115.526 115.700 0.075 0.000 2.558 397 S HA 0.068 4.529 4.470 -0.015 0.000 0.217 397 S C 1.582 176.209 174.600 0.045 0.000 0.975 397 S CA 0.361 58.610 58.200 0.082 0.000 0.912 397 S CB 0.194 63.440 63.200 0.076 0.000 0.776 397 S HN 0.462 nan 8.310 nan 0.000 0.526 398 K N 0.492 120.898 120.400 0.011 0.000 2.354 398 K HA 0.287 4.599 4.320 -0.015 0.000 0.194 398 K C -0.083 176.495 176.600 -0.037 0.000 1.038 398 K CA 0.239 56.517 56.287 -0.016 0.000 1.052 398 K CB 0.423 32.899 32.500 -0.040 0.000 0.861 398 K HN 0.294 nan 8.250 nan 0.000 0.535 399 I N 2.415 122.969 120.570 -0.028 0.000 2.365 399 I HA -0.002 4.159 4.170 -0.015 0.000 0.291 399 I C 0.587 176.739 176.117 0.059 0.000 1.004 399 I CA -0.539 60.730 61.300 -0.052 0.000 1.311 399 I CB 1.421 39.390 38.000 -0.052 0.000 1.401 399 I HN 0.050 nan 8.210 nan 0.000 0.491 400 S N 3.308 119.059 115.700 0.085 0.000 2.579 400 S HA 0.014 4.475 4.470 -0.015 0.000 0.275 400 S C 1.295 176.021 174.600 0.211 0.000 1.345 400 S CA -0.197 58.090 58.200 0.145 0.000 1.031 400 S CB 1.219 64.513 63.200 0.157 0.000 0.892 400 S HN 0.787 nan 8.310 nan 0.000 0.529 401 S N 0.342 116.148 115.700 0.176 0.000 2.442 401 S HA -0.155 4.306 4.470 -0.015 0.000 0.236 401 S C 0.960 175.702 174.600 0.236 0.000 1.007 401 S CA 0.963 59.269 58.200 0.177 0.000 0.965 401 S CB -0.624 62.649 63.200 0.122 0.000 0.773 401 S HN 0.930 nan 8.310 nan 0.000 0.504 402 D N -0.471 120.090 120.400 0.268 0.000 2.440 402 D HA 0.083 4.714 4.640 -0.015 0.000 0.216 402 D C 1.076 177.660 176.300 0.472 0.000 1.150 402 D CA -0.619 53.596 54.000 0.357 0.000 0.832 402 D CB -0.717 40.210 40.800 0.211 0.000 0.992 402 D HN 0.353 nan 8.370 nan 0.000 0.502 403 F N 2.872 122.985 119.950 0.271 0.000 2.095 403 F HA -0.071 4.447 4.527 -0.016 0.000 0.298 403 F C 0.809 176.821 175.800 0.354 0.000 1.104 403 F CA 1.768 59.920 58.000 0.254 0.000 1.232 403 F CB -0.231 38.859 39.000 0.150 0.000 0.987 403 F HN 0.039 nan 8.300 nan 0.000 0.475 404 T N -4.342 110.300 114.554 0.146 0.000 2.864 404 T HA 0.405 4.746 4.350 -0.015 0.000 0.289 404 T C -2.109 172.466 174.700 -0.208 0.000 1.082 404 T CA -1.687 60.248 62.100 -0.275 0.000 1.009 404 T CB 1.364 70.052 68.868 -0.300 0.000 1.234 404 T HN -0.328 nan 8.240 nan 0.000 0.526 405 P HA 0.065 nan 4.420 nan 0.000 0.219 405 P C 0.187 177.581 177.300 0.157 0.000 1.146 405 P CA 0.399 63.254 63.100 -0.409 0.000 0.808 405 P CB -0.159 31.124 31.700 -0.695 0.000 0.779 406 F N 2.584 122.565 119.950 0.051 0.000 2.533 406 F HA 0.113 4.632 4.527 -0.013 0.000 0.378 406 F C -1.513 174.302 175.800 0.024 0.000 1.070 406 F CA -1.875 56.179 58.000 0.091 0.000 1.172 406 F CB 0.632 39.676 39.000 0.073 0.000 1.085 406 F HN 0.007 nan 8.300 nan 0.000 0.552 407 P HA -0.015 nan 4.420 nan 0.000 0.264 407 P C -0.465 176.619 177.300 -0.359 0.000 1.259 407 P CA 0.430 63.330 63.100 -0.334 0.000 0.841 407 P CB 0.216 31.728 31.700 -0.313 0.000 1.232 408 H N 1.273 120.106 119.070 -0.394 0.000 2.982 408 H HA 0.291 4.838 4.556 -0.015 0.000 0.261 408 H C 1.030 176.531 175.328 0.289 0.000 1.603 408 H CA 0.019 56.002 56.048 -0.109 0.000 1.398 408 H CB 0.456 30.066 29.762 -0.253 0.000 1.693 408 H HN 0.051 nan 8.280 nan 0.000 0.535 409 R N 0.487 121.167 120.500 0.299 0.000 2.495 409 R HA 0.161 4.493 4.340 -0.015 0.000 0.109 409 R C 0.550 176.990 176.300 0.233 0.000 1.362 409 R CA -0.824 55.452 56.100 0.294 0.000 1.165 409 R CB -0.521 29.909 30.300 0.216 0.000 1.003 409 R HN 0.306 nan 8.270 nan 0.000 0.412 410 S N -0.072 115.722 115.700 0.157 0.000 2.558 410 S HA 0.254 4.715 4.470 -0.015 0.000 0.293 410 S C 1.072 175.736 174.600 0.107 0.000 1.292 410 S CA 1.407 59.678 58.200 0.118 0.000 1.063 410 S CB -0.100 63.151 63.200 0.084 0.000 0.831 410 S HN 0.684 nan 8.310 nan 0.000 0.499 411 G N 3.307 112.160 108.800 0.087 0.000 2.258 411 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.233 411 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.233 411 G C 0.199 175.123 174.900 0.040 0.000 1.006 411 G CA 0.198 45.333 45.100 0.058 0.000 0.620 411 G HN 0.954 nan 8.290 nan 0.000 0.511 412 T N 1.491 116.088 114.554 0.072 0.000 2.761 412 T HA 0.538 4.879 4.350 -0.015 0.000 0.296 412 T C 1.402 176.073 174.700 -0.049 0.000 0.934 412 T CA 0.172 62.263 62.100 -0.015 0.000 1.091 412 T CB 1.747 70.638 68.868 0.040 0.000 0.896 412 T HN 0.411 nan 8.240 nan 0.000 0.515 413 R N 2.001 122.416 120.500 -0.142 0.000 2.062 413 R HA 0.346 4.677 4.340 -0.015 0.000 0.218 413 R C 0.249 176.432 176.300 -0.195 0.000 1.161 413 R CA 0.487 56.514 56.100 -0.120 0.000 0.994 413 R CB 0.132 30.362 30.300 -0.116 0.000 0.888 413 R HN 0.439 nan 8.270 nan 0.000 0.442 414 L N 0.413 121.464 121.223 -0.285 0.000 2.350 414 L HA 0.524 4.855 4.340 -0.015 0.000 0.260 414 L C -0.855 175.753 176.870 -0.437 0.000 1.015 414 L CA -0.863 53.832 54.840 -0.242 0.000 0.821 414 L CB 2.346 44.391 42.059 -0.023 0.000 1.370 414 L HN 0.028 nan 8.230 nan 0.000 0.416 415 M N 2.188 121.587 119.600 -0.335 0.000 2.227 415 M HA 0.604 5.075 4.480 -0.015 0.000 0.335 415 M C -1.717 174.530 176.300 -0.089 0.000 1.053 415 M CA -0.568 54.564 55.300 -0.280 0.000 0.973 415 M CB 1.681 34.106 32.600 -0.292 0.000 1.623 415 M HN 0.330 nan 8.290 nan 0.000 0.434 416 V N 4.498 124.335 119.914 -0.127 0.000 2.407 416 V HA 0.418 4.530 4.120 -0.015 0.000 0.291 416 V C -0.627 175.224 176.094 -0.405 0.000 1.018 416 V CA -0.675 61.501 62.300 -0.206 0.000 0.842 416 V CB 1.538 33.237 31.823 -0.207 0.000 0.996 416 V HN 0.857 nan 8.190 nan 0.000 0.426 417 E N 3.765 123.776 120.200 -0.315 0.000 2.179 417 E HA 0.573 4.914 4.350 -0.015 0.000 0.275 417 E C -1.798 174.559 176.600 -0.405 0.000 0.945 417 E CA -0.626 55.627 56.400 -0.246 0.000 0.792 417 E CB 1.424 31.170 29.700 0.077 0.000 1.125 417 E HN 0.641 nan 8.360 nan 0.000 0.397 418 Y N 3.445 123.794 120.300 0.082 0.000 2.341 418 Y HA 0.486 5.028 4.550 -0.014 0.000 0.338 418 Y C -0.450 175.432 175.900 -0.029 0.000 0.965 418 Y CA -0.926 57.199 58.100 0.042 0.000 1.108 418 Y CB 1.003 39.520 38.460 0.094 0.000 1.180 418 Y HN 0.335 nan 8.280 nan 0.000 0.458 419 I N 3.215 123.750 120.570 -0.059 0.000 2.608 419 I HA 0.581 4.742 4.170 -0.015 0.000 0.295 419 I C -1.034 175.081 176.117 -0.004 0.000 1.049 419 I CA -0.914 60.261 61.300 -0.208 0.000 1.063 419 I CB 2.250 39.734 38.000 -0.860 0.000 1.248 419 I HN 0.412 nan 8.210 nan 0.000 0.424 420 V N 4.815 124.838 119.914 0.182 0.000 2.656 420 V HA 0.957 5.068 4.120 -0.015 0.000 0.307 420 V C -0.949 175.309 176.094 0.272 0.000 1.051 420 V CA -0.189 62.238 62.300 0.211 0.000 0.893 420 V CB 1.620 33.634 31.823 0.317 0.000 0.999 420 V HN 0.943 nan 8.190 nan 0.000 0.426 421 A N 5.908 128.831 122.820 0.173 0.000 2.515 421 A HA 1.015 5.326 4.320 -0.015 0.000 0.298 421 A C -1.557 176.059 177.584 0.053 0.000 1.059 421 A CA -0.464 51.639 52.037 0.111 0.000 0.698 421 A CB 1.542 20.626 19.000 0.141 0.000 1.289 421 A HN 1.733 nan 8.150 nan 0.000 0.404 422 W N 1.539 122.744 121.300 -0.158 0.000 3.137 422 W HA 0.659 5.311 4.660 -0.013 0.000 0.324 422 W C -0.695 175.806 176.519 -0.029 0.000 1.253 422 W CA -0.694 56.550 57.345 -0.168 0.000 1.183 422 W CB 0.513 29.841 29.460 -0.220 0.000 1.424 422 W HN 0.860 nan 8.180 nan 0.000 0.566 423 N N 0.200 118.997 118.700 0.162 0.000 2.478 423 N HA 0.257 4.988 4.740 -0.015 0.000 0.275 423 N C 0.630 176.256 175.510 0.193 0.000 1.221 423 N CA -0.428 52.668 53.050 0.076 0.000 0.979 423 N CB 0.693 39.206 38.487 0.043 0.000 1.202 423 N HN 0.751 nan 8.380 nan 0.000 0.564 424 Q N -0.681 119.183 119.800 0.106 0.000 2.135 424 Q HA -0.171 4.161 4.340 -0.015 0.000 0.204 424 Q C 1.504 177.590 176.000 0.143 0.000 0.981 424 Q CA 2.013 57.892 55.803 0.127 0.000 0.856 424 Q CB -0.296 28.479 28.738 0.061 0.000 0.902 424 Q HN 0.850 nan 8.270 nan 0.000 0.425 425 S N 0.278 116.048 115.700 0.116 0.000 2.507 425 S HA -0.109 4.352 4.470 -0.015 0.000 0.235 425 S C 1.129 175.803 174.600 0.123 0.000 0.988 425 S CA 0.794 59.051 58.200 0.095 0.000 0.944 425 S CB 0.024 63.264 63.200 0.067 0.000 0.762 425 S HN 0.345 nan 8.310 nan 0.000 0.526 426 E N 0.108 120.432 120.200 0.206 0.000 2.499 426 E HA 0.172 4.513 4.350 -0.015 0.000 0.199 426 E C 1.311 178.034 176.600 0.206 0.000 1.016 426 E CA -0.256 56.287 56.400 0.238 0.000 0.933 426 E CB 0.097 30.035 29.700 0.397 0.000 1.050 426 E HN 0.369 nan 8.360 nan 0.000 0.462 427 Q N 1.936 121.852 119.800 0.193 0.000 2.135 427 Q HA -0.209 4.123 4.340 -0.015 0.000 0.204 427 Q C 1.861 177.852 176.000 -0.014 0.000 0.981 427 Q CA 1.679 57.576 55.803 0.158 0.000 0.856 427 Q CB -0.041 28.794 28.738 0.163 0.000 0.902 427 Q HN 0.279 nan 8.270 nan 0.000 0.425 428 K N -0.741 119.634 120.400 -0.042 0.000 2.439 428 K HA -0.051 4.260 4.320 -0.015 0.000 0.197 428 K C 1.116 177.588 176.600 -0.213 0.000 1.041 428 K CA 1.001 57.229 56.287 -0.098 0.000 0.970 428 K CB 0.096 32.556 32.500 -0.067 0.000 0.773 428 K HN -0.018 nan 8.250 nan 0.000 0.479 429 K N 0.999 121.199 120.400 -0.334 0.000 2.404 429 K HA 0.044 4.356 4.320 -0.015 0.000 0.194 429 K C 1.457 177.531 176.600 -0.878 0.000 1.023 429 K CA -0.016 55.868 56.287 -0.672 0.000 1.094 429 K CB 0.290 32.203 32.500 -0.979 0.000 0.841 429 K HN 0.179 nan 8.250 nan 0.000 0.523 430 K N 1.181 121.232 120.400 -0.581 0.000 2.020 430 K HA -0.181 4.130 4.320 -0.015 0.000 0.212 430 K C 1.554 177.912 176.600 -0.403 0.000 1.050 430 K CA 1.969 57.883 56.287 -0.621 0.000 0.929 430 K CB -0.075 32.202 32.500 -0.372 0.000 0.714 430 K HN -0.032 nan 8.250 nan 0.000 0.443 431 T N 0.956 115.347 114.554 -0.272 0.000 2.720 431 T HA -0.195 4.147 4.350 -0.015 0.000 0.268 431 T C 1.682 176.285 174.700 -0.163 0.000 1.037 431 T CA 1.766 63.768 62.100 -0.164 0.000 1.144 431 T CB -0.226 68.570 68.868 -0.120 0.000 0.864 431 T HN 0.468 nan 8.240 nan 0.000 0.444 432 E N -0.124 119.910 120.200 -0.277 0.000 2.077 432 E HA -0.134 4.207 4.350 -0.015 0.000 0.193 432 E C 1.796 178.321 176.600 -0.124 0.000 0.989 432 E CA 0.982 57.237 56.400 -0.242 0.000 0.800 432 E CB -0.151 29.320 29.700 -0.382 0.000 0.746 432 E HN 0.437 nan 8.360 nan 0.000 0.452 433 F N 1.093 120.953 119.950 -0.149 0.000 2.102 433 F HA -0.152 4.366 4.527 -0.014 0.000 0.298 433 F C 2.284 178.131 175.800 0.079 0.000 1.105 433 F CA 0.939 58.886 58.000 -0.088 0.000 1.239 433 F CB -0.710 38.089 39.000 -0.336 0.000 0.991 433 F HN 0.064 nan 8.300 nan 0.000 0.474 434 L N -0.487 120.833 121.223 0.163 0.000 2.093 434 L HA -0.211 4.120 4.340 -0.015 0.000 0.208 434 L C 2.136 179.092 176.870 0.143 0.000 1.085 434 L CA 1.665 56.599 54.840 0.156 0.000 0.755 434 L CB -0.712 41.392 42.059 0.076 0.000 0.904 434 L HN 0.109 nan 8.230 nan 0.000 0.435 435 D N -0.506 119.960 120.400 0.109 0.000 2.117 435 D HA -0.272 4.360 4.640 -0.015 0.000 0.197 435 D C 1.976 178.358 176.300 0.138 0.000 0.987 435 D CA 1.192 55.245 54.000 0.089 0.000 0.829 435 D CB -0.133 40.699 40.800 0.053 0.000 0.961 435 D HN 0.318 nan 8.370 nan 0.000 0.460 436 W N 0.439 121.762 121.300 0.039 0.000 2.335 436 W HA -0.184 4.467 4.660 -0.015 0.000 0.311 436 W C 1.984 178.540 176.519 0.063 0.000 1.213 436 W CA 1.284 58.663 57.345 0.057 0.000 1.274 436 W CB -0.659 28.862 29.460 0.102 0.000 1.148 436 W HN 0.135 nan 8.180 nan 0.000 0.498 437 L N 1.431 122.798 121.223 0.240 0.000 2.046 437 L HA -0.192 4.140 4.340 -0.015 0.000 0.208 437 L C 2.448 179.246 176.870 -0.121 0.000 1.077 437 L CA 2.726 57.566 54.840 -0.000 0.000 0.747 437 L CB -1.392 40.813 42.059 0.243 0.000 0.896 437 L HN 0.288 nan 8.230 nan 0.000 0.432 438 E N -0.546 119.638 120.200 -0.027 0.000 2.085 438 E HA -0.280 4.061 4.350 -0.015 0.000 0.194 438 E C 2.118 178.687 176.600 -0.052 0.000 0.994 438 E CA 1.555 57.944 56.400 -0.017 0.000 0.801 438 E CB -0.048 29.659 29.700 0.012 0.000 0.743 438 E HN 0.524 nan 8.360 nan 0.000 0.453 439 K N -0.037 120.290 120.400 -0.121 0.000 2.097 439 K HA -0.089 4.223 4.320 -0.015 0.000 0.205 439 K C 2.171 178.644 176.600 -0.211 0.000 1.050 439 K CA 1.101 57.303 56.287 -0.141 0.000 0.938 439 K CB 0.052 32.468 32.500 -0.140 0.000 0.718 439 K HN 0.061 nan 8.250 nan 0.000 0.442 440 V N 0.605 120.258 119.914 -0.434 0.000 2.295 440 V HA -0.269 3.842 4.120 -0.015 0.000 0.246 440 V C 2.014 177.916 176.094 -0.320 0.000 1.049 440 V CA 1.668 63.687 62.300 -0.469 0.000 1.024 440 V CB -0.505 30.818 31.823 -0.834 0.000 0.648 440 V HN 0.265 nan 8.190 nan 0.000 0.447 441 Y N 1.160 121.190 120.300 -0.451 0.000 2.224 441 Y HA -0.238 4.303 4.550 -0.015 0.000 0.289 441 Y C 2.558 178.335 175.900 -0.205 0.000 1.146 441 Y CA 2.167 60.038 58.100 -0.381 0.000 1.182 441 Y CB -0.133 38.184 38.460 -0.237 0.000 0.983 441 Y HN 0.362 nan 8.280 nan 0.000 0.524 442 E N -0.150 120.012 120.200 -0.064 0.000 2.077 442 E HA -0.259 4.082 4.350 -0.015 0.000 0.193 442 E C 2.027 178.556 176.600 -0.117 0.000 0.989 442 E CA 1.602 57.946 56.400 -0.093 0.000 0.800 442 E CB -0.920 28.764 29.700 -0.026 0.000 0.746 442 E HN 0.468 nan 8.360 nan 0.000 0.452 443 F N 0.294 120.132 119.950 -0.187 0.000 2.161 443 F HA -0.144 4.374 4.527 -0.015 0.000 0.300 443 F C 1.821 177.557 175.800 -0.105 0.000 1.089 443 F CA 1.435 59.359 58.000 -0.126 0.000 1.282 443 F CB -0.107 38.839 39.000 -0.091 0.000 1.010 443 F HN 0.076 nan 8.300 nan 0.000 0.485 444 M N 0.305 119.723 119.600 -0.303 0.000 2.562 444 M HA -0.072 4.399 4.480 -0.015 0.000 0.257 444 M C 2.087 178.146 176.300 -0.401 0.000 1.099 444 M CA 0.787 55.916 55.300 -0.285 0.000 1.099 444 M CB -1.066 31.462 32.600 -0.119 0.000 1.427 444 M HN 0.242 nan 8.290 nan 0.000 0.489 445 K N 1.281 121.394 120.400 -0.477 0.000 2.077 445 K HA -0.195 4.116 4.320 -0.015 0.000 0.213 445 K C -1.019 175.301 176.600 -0.466 0.000 1.051 445 K CA 1.816 57.836 56.287 -0.446 0.000 0.929 445 K CB -0.855 31.425 32.500 -0.365 0.000 0.715 445 K HN 0.161 nan 8.250 nan 0.000 0.451 446 P HA -0.071 nan 4.420 nan 0.000 0.226 446 P C 0.446 177.366 177.300 -0.635 0.000 1.153 446 P CA 1.017 63.690 63.100 -0.711 0.000 0.777 446 P CB 0.047 31.173 31.700 -0.957 0.000 0.794 447 F N -1.385 118.415 119.950 -0.250 0.000 2.714 447 F HA 0.086 4.604 4.527 -0.015 0.000 0.294 447 F C 1.531 177.225 175.800 -0.177 0.000 1.120 447 F CA -0.239 57.632 58.000 -0.214 0.000 1.398 447 F CB -0.880 37.960 39.000 -0.266 0.000 1.120 447 F HN -0.227 nan 8.300 nan 0.000 0.589 448 V N -2.237 117.642 119.914 -0.058 0.000 3.345 448 V HA 0.623 4.734 4.120 -0.015 0.000 0.308 448 V C 0.573 176.609 176.094 -0.098 0.000 1.168 448 V CA -1.186 61.072 62.300 -0.070 0.000 1.024 448 V CB 0.743 32.520 31.823 -0.076 0.000 1.211 448 V HN 0.104 nan 8.190 nan 0.000 0.461 449 S N 0.451 116.091 115.700 -0.101 0.000 2.558 449 S HA 0.315 4.776 4.470 -0.015 0.000 0.287 449 S C -0.346 174.197 174.600 -0.095 0.000 1.321 449 S CA -0.155 57.988 58.200 -0.096 0.000 1.048 449 S CB -0.313 62.819 63.200 -0.113 0.000 0.844 449 S HN 0.830 nan 8.310 nan 0.000 0.512 450 K N 1.056 121.409 120.400 -0.079 0.000 2.477 450 K HA 0.426 4.738 4.320 -0.015 0.000 0.255 450 K C -0.844 175.723 176.600 -0.056 0.000 0.952 450 K CA -1.110 55.131 56.287 -0.078 0.000 0.826 450 K CB 1.157 33.604 32.500 -0.088 0.000 1.331 450 K HN 0.649 nan 8.250 nan 0.000 0.437 451 N N 1.477 120.145 118.700 -0.053 0.000 2.708 451 N HA -0.108 4.623 4.740 -0.015 0.000 0.255 451 N C -2.438 173.053 175.510 -0.031 0.000 1.046 451 N CA 0.528 53.553 53.050 -0.042 0.000 0.715 451 N CB -1.304 37.160 38.487 -0.038 0.000 0.895 451 N HN 0.566 nan 8.380 nan 0.000 0.545 452 P HA 0.304 nan 4.420 nan 0.000 0.285 452 P C -0.131 177.144 177.300 -0.042 0.000 1.285 452 P CA -0.688 62.387 63.100 -0.042 0.000 0.854 452 P CB 1.291 32.960 31.700 -0.051 0.000 1.180 453 R N 1.027 121.503 120.500 -0.040 0.000 2.351 453 R HA 0.248 4.579 4.340 -0.015 0.000 0.318 453 R C 0.044 176.336 176.300 -0.014 0.000 1.055 453 R CA -0.219 55.859 56.100 -0.036 0.000 0.968 453 R CB -0.496 29.790 30.300 -0.023 0.000 0.974 453 R HN 0.406 nan 8.270 nan 0.000 0.439 454 L N 3.249 124.444 121.223 -0.047 0.000 2.453 454 L HA 0.479 4.811 4.340 -0.015 0.000 0.261 454 L C 1.054 177.921 176.870 -0.004 0.000 1.179 454 L CA -0.157 54.639 54.840 -0.073 0.000 0.813 454 L CB 1.222 43.114 42.059 -0.280 0.000 1.110 454 L HN 0.824 nan 8.230 nan 0.000 0.466 455 G N -0.378 108.477 108.800 0.091 0.000 2.921 455 G HA2 0.507 4.459 3.960 -0.015 0.000 0.291 455 G HA3 0.507 4.459 3.960 -0.015 0.000 0.291 455 G C -2.380 172.801 174.900 0.468 0.000 1.370 455 G CA -0.211 45.066 45.100 0.295 0.000 0.847 455 G HN 0.332 nan 8.290 nan 0.000 0.532 456 Y N 0.120 120.618 120.300 0.331 0.000 2.361 456 Y HA 0.485 5.026 4.550 -0.015 0.000 0.328 456 Y C 0.572 176.413 175.900 -0.098 0.000 1.044 456 Y CA -1.269 56.944 58.100 0.188 0.000 1.085 456 Y CB 1.750 40.295 38.460 0.142 0.000 1.194 456 Y HN 0.472 nan 8.280 nan 0.000 0.438 457 V N 5.078 124.757 119.914 -0.392 0.000 2.594 457 V HA -0.195 3.916 4.120 -0.015 0.000 0.253 457 V C 1.411 177.146 176.094 -0.599 0.000 1.069 457 V CA 2.390 64.178 62.300 -0.854 0.000 1.082 457 V CB -0.248 31.306 31.823 -0.448 0.000 0.680 457 V HN 0.839 nan 8.190 nan 0.000 0.469 458 N N -0.517 117.675 118.700 -0.847 0.000 2.453 458 N HA -0.060 4.671 4.740 -0.015 0.000 0.183 458 N C 0.960 176.174 175.510 -0.493 0.000 1.041 458 N CA 0.880 53.510 53.050 -0.700 0.000 0.900 458 N CB -0.322 37.699 38.487 -0.777 0.000 0.961 458 N HN 0.666 nan 8.380 nan 0.000 0.443 459 H N -0.041 118.694 119.070 -0.559 0.000 2.579 459 H HA 0.171 4.718 4.556 -0.015 0.000 0.289 459 H C 0.143 175.506 175.328 0.059 0.000 1.270 459 H CA -0.592 55.441 56.048 -0.025 0.000 1.060 459 H CB 0.240 30.151 29.762 0.249 0.000 1.554 459 H HN 0.126 nan 8.280 nan 0.000 0.515 460 I N 1.942 122.495 120.570 -0.028 0.000 2.826 460 I HA -0.159 4.002 4.170 -0.015 0.000 0.295 460 I C -0.068 176.148 176.117 0.163 0.000 1.213 460 I CA 0.940 62.243 61.300 0.004 0.000 1.436 460 I CB 0.285 38.216 38.000 -0.114 0.000 1.348 460 I HN 0.301 nan 8.210 nan 0.000 0.570 461 D N 7.257 127.787 120.400 0.216 0.000 2.476 461 D HA 0.202 4.833 4.640 -0.015 0.000 0.251 461 D C 0.358 176.698 176.300 0.067 0.000 1.291 461 D CA -0.386 53.707 54.000 0.154 0.000 0.939 461 D CB 1.284 42.185 40.800 0.169 0.000 1.221 461 D HN 0.521 nan 8.370 nan 0.000 0.567 462 L N 2.215 123.443 121.223 0.008 0.000 2.552 462 L HA 0.007 4.338 4.340 -0.015 0.000 0.227 462 L C 1.138 177.976 176.870 -0.052 0.000 1.146 462 L CA 0.254 55.051 54.840 -0.071 0.000 0.858 462 L CB 0.096 42.113 42.059 -0.069 0.000 0.969 462 L HN 0.279 nan 8.230 nan 0.000 0.451 463 D N 0.321 120.714 120.400 -0.012 0.000 2.218 463 D HA -0.136 4.495 4.640 -0.015 0.000 0.204 463 D C 2.023 178.333 176.300 0.016 0.000 0.976 463 D CA 1.026 55.022 54.000 -0.007 0.000 0.853 463 D CB 0.049 40.829 40.800 -0.033 0.000 0.939 463 D HN 0.193 nan 8.370 nan 0.000 0.481 464 L N -0.450 120.790 121.223 0.028 0.000 2.362 464 L HA 0.168 4.500 4.340 -0.015 0.000 0.219 464 L C 1.504 178.490 176.870 0.194 0.000 1.134 464 L CA 0.824 55.734 54.840 0.117 0.000 0.807 464 L CB -0.930 41.220 42.059 0.151 0.000 0.927 464 L HN 0.116 nan 8.230 nan 0.000 0.447 465 G N -2.267 106.521 108.800 -0.019 0.000 2.353 465 G HA2 0.403 4.355 3.960 -0.015 0.000 0.615 465 G HA3 0.403 4.355 3.960 -0.015 0.000 0.615 465 G C -0.497 174.033 174.900 -0.618 0.000 1.280 465 G CA -0.574 44.492 45.100 -0.057 0.000 1.000 465 G HN 0.490 nan 8.290 nan 0.000 0.516 466 G N -1.220 107.296 108.800 -0.472 0.000 2.655 466 G HA2 0.613 4.564 3.960 -0.015 0.000 0.296 466 G HA3 0.613 4.564 3.960 -0.015 0.000 0.296 466 G C -1.099 173.701 174.900 -0.167 0.000 1.485 466 G CA -0.621 44.161 45.100 -0.530 0.000 0.869 466 G HN 0.925 nan 8.290 nan 0.000 0.540 467 I N 1.790 122.245 120.570 -0.191 0.000 2.371 467 I HA 0.237 4.398 4.170 -0.015 0.000 0.290 467 I C -0.413 175.436 176.117 -0.448 0.000 1.028 467 I CA -0.567 60.504 61.300 -0.382 0.000 1.345 467 I CB 1.550 39.009 38.000 -0.902 0.000 1.407 467 I HN 0.465 nan 8.210 nan 0.000 0.501 468 D N 5.912 126.124 120.400 -0.312 0.000 2.411 468 D HA 0.077 4.709 4.640 -0.015 0.000 0.225 468 D C 0.618 176.807 176.300 -0.186 0.000 1.156 468 D CA -0.284 53.608 54.000 -0.180 0.000 0.874 468 D CB 0.389 41.144 40.800 -0.075 0.000 1.034 468 D HN 0.369 nan 8.370 nan 0.000 0.502 469 W N 2.205 123.519 121.300 0.022 0.000 2.721 469 W HA 0.118 4.769 4.660 -0.015 0.000 0.245 469 W C 2.167 178.693 176.519 0.012 0.000 1.276 469 W CA 0.091 57.447 57.345 0.018 0.000 1.342 469 W CB 0.466 29.930 29.460 0.006 0.000 1.135 469 W HN 0.576 nan 8.180 nan 0.000 0.654 470 G N -0.566 108.335 108.800 0.169 0.000 3.042 470 G HA2 -0.102 3.849 3.960 -0.015 0.000 0.212 470 G HA3 -0.102 3.849 3.960 -0.015 0.000 0.212 470 G C 0.299 175.236 174.900 0.062 0.000 1.166 470 G CA -0.250 44.914 45.100 0.106 0.000 0.767 470 G HN -0.036 nan 8.290 nan 0.000 0.546 471 N N 0.876 119.599 118.700 0.038 0.000 2.457 471 N HA 0.171 4.902 4.740 -0.015 0.000 0.250 471 N C 0.986 176.507 175.510 0.018 0.000 0.982 471 N CA -0.309 52.749 53.050 0.013 0.000 0.941 471 N CB 1.294 39.771 38.487 -0.017 0.000 1.120 471 N HN -0.014 nan 8.380 nan 0.000 0.505 472 K N 1.676 122.091 120.400 0.026 0.000 2.097 472 K HA -0.110 4.201 4.320 -0.015 0.000 0.205 472 K C 1.365 177.978 176.600 0.022 0.000 1.050 472 K CA 1.171 57.478 56.287 0.033 0.000 0.938 472 K CB 0.074 32.592 32.500 0.030 0.000 0.718 472 K HN 0.508 nan 8.250 nan 0.000 0.442 473 T N 0.142 114.702 114.554 0.009 0.000 2.821 473 T HA -0.064 4.278 4.350 -0.015 0.000 0.267 473 T C 1.799 176.495 174.700 -0.006 0.000 1.046 473 T CA 1.030 63.132 62.100 0.004 0.000 1.139 473 T CB 0.017 68.886 68.868 0.001 0.000 0.871 473 T HN -0.020 nan 8.240 nan 0.000 0.454 474 V N 1.092 120.993 119.914 -0.021 0.000 2.307 474 V HA -0.094 4.017 4.120 -0.015 0.000 0.245 474 V C 2.740 178.799 176.094 -0.058 0.000 1.045 474 V CA 1.544 63.814 62.300 -0.050 0.000 1.024 474 V CB -0.533 31.239 31.823 -0.085 0.000 0.651 474 V HN 0.368 nan 8.190 nan 0.000 0.449 475 V N 0.589 120.484 119.914 -0.032 0.000 2.407 475 V HA -0.246 3.865 4.120 -0.015 0.000 0.248 475 V C 2.340 178.473 176.094 0.064 0.000 1.055 475 V CA 1.976 64.296 62.300 0.033 0.000 1.049 475 V CB -0.930 30.980 31.823 0.145 0.000 0.662 475 V HN 0.557 nan 8.190 nan 0.000 0.455 476 N N 0.747 119.473 118.700 0.044 0.000 2.137 476 N HA -0.158 4.573 4.740 -0.015 0.000 0.190 476 N C 1.475 177.004 175.510 0.032 0.000 1.017 476 N CA 1.484 54.558 53.050 0.041 0.000 0.859 476 N CB -0.426 38.078 38.487 0.028 0.000 1.002 476 N HN 0.462 nan 8.380 nan 0.000 0.428 477 N N 0.035 118.743 118.700 0.014 0.000 2.321 477 N HA 0.264 4.995 4.740 -0.015 0.000 0.242 477 N C 0.749 176.256 175.510 -0.005 0.000 1.141 477 N CA -0.086 52.967 53.050 0.003 0.000 0.864 477 N CB 0.132 38.613 38.487 -0.010 0.000 1.100 477 N HN 0.081 nan 8.380 nan 0.000 0.510 478 A N 0.222 123.050 122.820 0.015 0.000 1.908 478 A HA -0.110 4.202 4.320 -0.015 0.000 0.218 478 A C 2.051 179.659 177.584 0.040 0.000 1.181 478 A CA 1.007 53.047 52.037 0.005 0.000 0.627 478 A CB -0.489 18.559 19.000 0.079 0.000 0.818 478 A HN 0.422 nan 8.150 nan 0.000 0.445 479 I N -0.814 119.799 120.570 0.072 0.000 2.179 479 I HA -0.261 3.901 4.170 -0.015 0.000 0.242 479 I C 2.638 178.780 176.117 0.042 0.000 1.088 479 I CA 1.863 63.223 61.300 0.100 0.000 1.357 479 I CB -0.353 37.704 38.000 0.096 0.000 1.051 479 I HN 0.543 nan 8.210 nan 0.000 0.409 480 E N 1.515 121.710 120.200 -0.008 0.000 2.051 480 E HA -0.226 4.115 4.350 -0.015 0.000 0.192 480 E C 2.363 178.870 176.600 -0.155 0.000 0.991 480 E CA 1.392 57.755 56.400 -0.060 0.000 0.799 480 E CB -0.036 29.638 29.700 -0.044 0.000 0.748 480 E HN 0.439 nan 8.360 nan 0.000 0.449 481 I N 1.294 121.772 120.570 -0.154 0.000 2.208 481 I HA -0.279 3.882 4.170 -0.015 0.000 0.245 481 I C 2.631 178.382 176.117 -0.609 0.000 1.097 481 I CA 1.531 62.685 61.300 -0.243 0.000 1.363 481 I CB -0.329 37.602 38.000 -0.116 0.000 1.051 481 I HN 0.194 nan 8.210 nan 0.000 0.413 482 S N 0.399 115.777 115.700 -0.536 0.000 2.515 482 S HA -0.135 4.327 4.470 -0.015 0.000 0.231 482 S C 2.012 175.949 174.600 -1.106 0.000 0.987 482 S CA 0.381 58.013 58.200 -0.947 0.000 0.936 482 S CB -0.436 62.732 63.200 -0.053 0.000 0.766 482 S HN 0.384 nan 8.310 nan 0.000 0.528 483 R N 1.122 121.215 120.500 -0.678 0.000 2.152 483 R HA -0.025 4.306 4.340 -0.015 0.000 0.232 483 R C 2.434 178.340 176.300 -0.658 0.000 1.117 483 R CA 1.124 56.839 56.100 -0.642 0.000 0.981 483 R CB -0.541 29.575 30.300 -0.308 0.000 0.870 483 R HN 0.511 nan 8.270 nan 0.000 0.451 484 S N 0.160 115.437 115.700 -0.706 0.000 2.359 484 S HA -0.185 4.276 4.470 -0.015 0.000 0.222 484 S C 1.540 175.933 174.600 -0.345 0.000 1.038 484 S CA 1.775 59.711 58.200 -0.441 0.000 1.051 484 S CB -0.258 62.758 63.200 -0.307 0.000 0.944 484 S HN 0.649 nan 8.310 nan 0.000 0.433 485 W N 0.737 121.878 121.300 -0.264 0.000 2.576 485 W HA 0.444 5.095 4.660 -0.015 0.000 0.275 485 W C 2.273 178.436 176.519 -0.594 0.000 1.241 485 W CA 0.323 57.374 57.345 -0.489 0.000 1.328 485 W CB -1.217 28.013 29.460 -0.383 0.000 1.092 485 W HN 0.224 nan 8.180 nan 0.000 0.586 486 G N 1.335 109.785 108.800 -0.584 0.000 2.446 486 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.217 486 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.217 486 G C 1.439 176.094 174.900 -0.408 0.000 1.168 486 G CA 1.323 46.120 45.100 -0.504 0.000 0.771 486 G HN 0.432 nan 8.290 nan 0.000 0.551 487 E N 0.327 120.226 120.200 -0.502 0.000 2.208 487 E HA -0.007 4.334 4.350 -0.015 0.000 0.193 487 E C 2.809 179.346 176.600 -0.105 0.000 0.988 487 E CA 0.582 56.860 56.400 -0.203 0.000 0.828 487 E CB 0.041 29.632 29.700 -0.182 0.000 0.763 487 E HN 0.342 nan 8.360 nan 0.000 0.478 488 S N 0.256 115.838 115.700 -0.197 0.000 2.382 488 S HA -0.130 4.331 4.470 -0.015 0.000 0.228 488 S C 1.522 176.117 174.600 -0.008 0.000 1.027 488 S CA 0.999 59.121 58.200 -0.130 0.000 0.991 488 S CB -0.133 62.933 63.200 -0.222 0.000 0.823 488 S HN 0.312 nan 8.310 nan 0.000 0.469 489 Y N -0.651 119.566 120.300 -0.138 0.000 2.365 489 Y HA 0.214 4.756 4.550 -0.014 0.000 0.293 489 Y C 1.298 176.841 175.900 -0.594 0.000 1.119 489 Y CA -0.083 57.748 58.100 -0.448 0.000 1.203 489 Y CB -0.295 37.551 38.460 -1.023 0.000 1.026 489 Y HN 0.257 nan 8.280 nan 0.000 0.549 490 F N -2.766 117.323 119.950 0.232 0.000 2.817 490 F HA 0.308 4.826 4.527 -0.015 0.000 0.333 490 F C 1.035 176.888 175.800 0.088 0.000 1.085 490 F CA -0.849 57.240 58.000 0.148 0.000 1.170 490 F CB -0.259 38.940 39.000 0.332 0.000 1.066 490 F HN -0.211 nan 8.300 nan 0.000 0.564 491 L N -0.448 120.888 121.223 0.188 0.000 6.032 491 L HA -0.502 3.829 4.340 -0.015 0.000 0.053 491 L C 1.875 178.867 176.870 0.204 0.000 2.286 491 L CA 1.452 56.375 54.840 0.138 0.000 1.682 491 L CB -1.482 40.628 42.059 0.084 0.000 2.737 491 L HN 0.034 nan 8.230 nan 0.000 0.986 492 S N -0.200 115.601 115.700 0.169 0.000 2.507 492 S HA -0.053 4.408 4.470 -0.015 0.000 0.235 492 S C 1.166 175.904 174.600 0.230 0.000 0.988 492 S CA 1.087 59.390 58.200 0.172 0.000 0.944 492 S CB -0.424 62.847 63.200 0.118 0.000 0.762 492 S HN 0.437 nan 8.310 nan 0.000 0.526 493 N N 0.564 119.449 118.700 0.309 0.000 2.550 493 N HA -0.013 4.719 4.740 -0.015 0.000 0.186 493 N C 1.056 176.815 175.510 0.416 0.000 1.110 493 N CA 0.363 53.662 53.050 0.415 0.000 0.912 493 N CB -0.310 38.481 38.487 0.507 0.000 0.968 493 N HN 0.444 nan 8.380 nan 0.000 0.448 494 Y N 1.953 122.407 120.300 0.256 0.000 2.165 494 Y HA -0.201 4.340 4.550 -0.015 0.000 0.286 494 Y C 1.987 177.991 175.900 0.172 0.000 1.155 494 Y CA 1.561 59.795 58.100 0.224 0.000 1.164 494 Y CB -0.033 38.555 38.460 0.215 0.000 0.978 494 Y HN -0.020 nan 8.280 nan 0.000 0.513 495 E N -0.215 120.086 120.200 0.167 0.000 2.058 495 E HA -0.214 4.127 4.350 -0.015 0.000 0.194 495 E C 2.376 178.987 176.600 0.018 0.000 0.997 495 E CA 1.542 57.975 56.400 0.057 0.000 0.801 495 E CB -0.320 29.423 29.700 0.072 0.000 0.746 495 E HN 0.347 nan 8.360 nan 0.000 0.450 496 R N 0.151 120.678 120.500 0.044 0.000 2.092 496 R HA -0.073 4.258 4.340 -0.015 0.000 0.231 496 R C 2.181 178.572 176.300 0.151 0.000 1.119 496 R CA 0.885 56.979 56.100 -0.010 0.000 0.970 496 R CB -0.231 29.893 30.300 -0.293 0.000 0.864 496 R HN 0.187 nan 8.270 nan 0.000 0.440 497 L N 0.366 121.737 121.223 0.246 0.000 2.046 497 L HA -0.210 4.122 4.340 -0.015 0.000 0.208 497 L C 2.378 179.349 176.870 0.168 0.000 1.077 497 L CA 1.333 56.316 54.840 0.237 0.000 0.747 497 L CB -0.345 41.746 42.059 0.053 0.000 0.896 497 L HN 0.253 nan 8.230 nan 0.000 0.432 498 I N -0.715 119.827 120.570 -0.047 0.000 2.226 498 I HA -0.296 3.865 4.170 -0.015 0.000 0.245 498 I C 2.781 178.924 176.117 0.042 0.000 1.100 498 I CA 1.250 62.517 61.300 -0.055 0.000 1.374 498 I CB -0.295 37.622 38.000 -0.138 0.000 1.057 498 I HN 0.189 nan 8.210 nan 0.000 0.413 499 R N 0.547 121.073 120.500 0.044 0.000 2.081 499 R HA -0.131 4.200 4.340 -0.015 0.000 0.235 499 R C 2.449 178.805 176.300 0.093 0.000 1.131 499 R CA 1.493 57.622 56.100 0.049 0.000 0.960 499 R CB -0.407 29.902 30.300 0.015 0.000 0.856 499 R HN 0.371 nan 8.270 nan 0.000 0.436 500 A N 1.331 124.238 122.820 0.144 0.000 1.930 500 A HA -0.215 4.096 4.320 -0.015 0.000 0.217 500 A C 2.030 179.804 177.584 0.317 0.000 1.175 500 A CA 1.623 53.770 52.037 0.184 0.000 0.627 500 A CB -0.283 18.793 19.000 0.128 0.000 0.815 500 A HN 0.118 nan 8.150 nan 0.000 0.443 501 K N -0.170 120.489 120.400 0.431 0.000 2.026 501 K HA -0.099 4.212 4.320 -0.015 0.000 0.208 501 K C 1.853 178.539 176.600 0.144 0.000 1.048 501 K CA 2.390 58.861 56.287 0.307 0.000 0.929 501 K CB -0.968 31.573 32.500 0.069 0.000 0.713 501 K HN 0.360 nan 8.250 nan 0.000 0.439 502 T N 1.306 115.922 114.554 0.103 0.000 2.788 502 T HA -0.116 4.225 4.350 -0.015 0.000 0.268 502 T C 1.547 176.289 174.700 0.071 0.000 1.044 502 T CA 1.297 63.435 62.100 0.063 0.000 1.139 502 T CB -0.248 68.649 68.868 0.048 0.000 0.867 502 T HN 0.179 nan 8.240 nan 0.000 0.454 503 L N 0.428 121.705 121.223 0.091 0.000 2.044 503 L HA 0.197 4.529 4.340 -0.015 0.000 0.205 503 L C 1.986 178.912 176.870 0.094 0.000 1.075 503 L CA 1.541 56.429 54.840 0.081 0.000 0.747 503 L CB -0.479 41.626 42.059 0.077 0.000 0.903 503 L HN 0.146 nan 8.230 nan 0.000 0.435 504 I N -1.192 119.460 120.570 0.136 0.000 3.228 504 I HA 0.074 4.236 4.170 -0.015 0.000 0.279 504 I C 0.125 176.328 176.117 0.143 0.000 1.221 504 I CA 0.555 61.942 61.300 0.144 0.000 1.458 504 I CB 0.049 38.164 38.000 0.192 0.000 1.105 504 I HN 0.351 nan 8.210 nan 0.000 0.445 505 D N -0.202 120.276 120.400 0.130 0.000 2.945 505 D HA 0.221 4.852 4.640 -0.015 0.000 0.340 505 D C -1.891 174.431 176.300 0.036 0.000 1.240 505 D CA -1.454 52.609 54.000 0.106 0.000 0.749 505 D CB 0.651 41.536 40.800 0.141 0.000 1.217 505 D HN 0.052 nan 8.370 nan 0.000 0.514 506 P HA -0.093 nan 4.420 nan 0.000 0.219 506 P C 0.626 177.915 177.300 -0.019 0.000 1.146 506 P CA 0.763 63.870 63.100 0.011 0.000 0.808 506 P CB 0.421 32.134 31.700 0.022 0.000 0.779 507 N N -0.690 117.994 118.700 -0.026 0.000 2.336 507 N HA -0.022 4.709 4.740 -0.015 0.000 0.189 507 N C 0.301 175.741 175.510 -0.117 0.000 1.113 507 N CA 0.068 53.085 53.050 -0.055 0.000 0.858 507 N CB -0.930 37.533 38.487 -0.040 0.000 0.970 507 N HN 0.004 nan 8.380 nan 0.000 0.471 508 N N 0.260 118.874 118.700 -0.144 0.000 2.740 508 N HA -0.144 4.588 4.740 -0.015 0.000 0.248 508 N C 0.646 175.984 175.510 -0.287 0.000 1.062 508 N CA 0.148 53.036 53.050 -0.271 0.000 0.704 508 N CB -1.333 36.889 38.487 -0.442 0.000 0.968 508 N HN -0.046 nan 8.380 nan 0.000 0.547 509 V N -1.053 118.724 119.914 -0.229 0.000 2.515 509 V HA -0.069 4.042 4.120 -0.015 0.000 0.250 509 V C 0.921 176.654 176.094 -0.602 0.000 1.058 509 V CA 1.537 63.592 62.300 -0.410 0.000 1.064 509 V CB -0.410 31.121 31.823 -0.487 0.000 0.675 509 V HN 0.350 nan 8.190 nan 0.000 0.461 510 F N 1.914 121.770 119.950 -0.156 0.000 2.308 510 F HA 0.483 5.002 4.527 -0.014 0.000 0.370 510 F C 0.236 175.884 175.800 -0.253 0.000 1.100 510 F CA -0.825 57.086 58.000 -0.148 0.000 1.108 510 F CB 0.264 39.196 39.000 -0.114 0.000 1.293 510 F HN 0.279 nan 8.300 nan 0.000 0.478 511 N N 0.978 119.604 118.700 -0.124 0.000 2.494 511 N HA 0.757 5.488 4.740 -0.015 0.000 0.270 511 N C -1.212 174.299 175.510 0.003 0.000 1.285 511 N CA -0.883 52.008 53.050 -0.266 0.000 0.812 511 N CB 2.101 40.164 38.487 -0.706 0.000 1.557 511 N HN 0.513 nan 8.380 nan 0.000 0.487 512 H N -3.580 115.576 119.070 0.142 0.000 2.902 512 H HA 0.504 5.052 4.556 -0.014 0.000 0.297 512 H C -2.733 172.771 175.328 0.293 0.000 1.406 512 H CA -1.557 54.585 56.048 0.157 0.000 1.134 512 H CB 0.343 30.118 29.762 0.022 0.000 1.833 512 H HN 0.275 nan 8.280 nan 0.000 0.527 513 P HA -0.093 nan 4.420 nan 0.000 0.219 513 P C 0.256 177.542 177.300 -0.024 0.000 1.146 513 P CA 1.554 64.699 63.100 0.075 0.000 0.808 513 P CB 0.252 31.922 31.700 -0.051 0.000 0.779 514 Q N -1.049 118.824 119.800 0.122 0.000 2.141 514 Q HA 0.153 4.485 4.340 -0.015 0.000 0.248 514 Q C -0.144 175.968 176.000 0.185 0.000 0.834 514 Q CA -0.225 55.598 55.803 0.033 0.000 1.096 514 Q CB 0.476 29.115 28.738 -0.165 0.000 1.189 514 Q HN 0.197 nan 8.270 nan 0.000 0.471 515 S N -0.216 115.332 115.700 -0.252 0.000 2.580 515 S HA 0.284 4.745 4.470 -0.015 0.000 0.274 515 S C 0.531 175.242 174.600 0.185 0.000 1.329 515 S CA -0.708 57.324 58.200 -0.280 0.000 1.036 515 S CB 1.023 63.909 63.200 -0.524 0.000 0.919 515 S HN 0.134 nan 8.310 nan 0.000 0.515 516 I N 3.015 123.621 120.570 0.060 0.000 2.741 516 I HA 0.154 4.315 4.170 -0.015 0.000 0.288 516 I C -2.136 174.020 176.117 0.065 0.000 1.192 516 I CA -1.870 59.485 61.300 0.091 0.000 1.426 516 I CB -0.745 37.183 38.000 -0.120 0.000 1.367 516 I HN 0.461 nan 8.210 nan 0.000 0.563 517 P HA 0.248 nan 4.420 nan 0.000 0.275 517 P C -2.449 174.893 177.300 0.071 0.000 1.227 517 P CA -1.238 62.018 63.100 0.260 0.000 0.781 517 P CB 0.212 32.138 31.700 0.376 0.000 0.906 518 P HA 0.252 nan 4.420 nan 0.000 0.279 518 P C -0.326 177.003 177.300 0.049 0.000 1.252 518 P CA -0.273 62.834 63.100 0.012 0.000 0.811 518 P CB 0.742 32.425 31.700 -0.028 0.000 1.035 519 M N 1.036 120.660 119.600 0.041 0.000 2.242 519 M HA 0.321 4.792 4.480 -0.015 0.000 0.344 519 M C 1.018 177.344 176.300 0.044 0.000 1.140 519 M CA -0.242 55.086 55.300 0.046 0.000 1.160 519 M CB 0.733 33.355 32.600 0.036 0.000 1.491 519 M HN 0.429 nan 8.290 nan 0.000 0.459 520 A N 0.000 122.850 122.820 0.050 0.000 2.254 520 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 520 A CA 0.000 52.064 52.037 0.045 0.000 0.836 520 A CB 0.000 19.029 19.000 0.049 0.000 0.831 520 A HN 0.000 nan 8.150 nan 0.000 0.486