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 3d2h_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 CPTVGTGGHI 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 IPPMANFD 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 54.030 54.000 0.050 0.000 0.868 26 D CB 0.000 40.818 40.800 0.030 0.000 0.688 27 L N 4.356 125.625 121.223 0.077 0.000 2.017 27 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 27 L C 1.498 178.329 176.870 -0.065 0.000 1.073 27 L CA 1.756 56.605 54.840 0.014 0.000 0.745 27 L CB -0.494 41.559 42.059 -0.010 0.000 0.894 27 L HN 0.743 nan 8.230 nan 0.000 0.432 28 L N -1.388 119.804 121.223 -0.052 0.000 2.046 28 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 28 L C 2.462 179.329 176.870 -0.004 0.000 1.077 28 L CA 1.335 56.133 54.840 -0.070 0.000 0.747 28 L CB -0.815 41.258 42.059 0.024 0.000 0.896 28 L HN 0.212 nan 8.230 nan 0.000 0.432 29 S N -0.939 114.777 115.700 0.026 0.000 2.382 29 S HA -0.216 4.254 4.470 -0.000 0.000 0.228 29 S C 2.133 176.777 174.600 0.073 0.000 1.027 29 S CA 1.350 59.581 58.200 0.052 0.000 0.991 29 S CB -0.503 62.716 63.200 0.032 0.000 0.823 29 S HN 0.540 nan 8.310 nan 0.000 0.469 30 c N 1.652 120.274 118.600 0.038 0.000 2.453 30 c HA 0.048 4.618 4.570 -0.000 0.000 0.277 30 c C 2.423 176.567 174.090 0.090 0.000 1.262 30 c CA 0.501 56.869 56.329 0.065 0.000 1.718 30 c CB -1.532 40.994 42.510 0.025 0.000 2.031 30 c HN 0.560 nan 8.230 nan 0.000 0.480 31 L N 0.275 121.492 121.223 -0.012 0.000 2.046 31 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 31 L C 2.782 179.684 176.870 0.054 0.000 1.077 31 L CA 2.113 56.924 54.840 -0.048 0.000 0.747 31 L CB -1.150 40.727 42.059 -0.304 0.000 0.896 31 L HN 0.353 nan 8.230 nan 0.000 0.432 32 T N -0.162 114.450 114.554 0.097 0.000 2.708 32 T HA -0.237 4.113 4.350 -0.000 0.000 0.266 32 T C 1.620 176.390 174.700 0.117 0.000 1.037 32 T CA 1.548 63.726 62.100 0.130 0.000 1.146 32 T CB -0.410 68.539 68.868 0.135 0.000 0.865 32 T HN 0.247 nan 8.240 nan 0.000 0.435 33 F N 2.639 122.596 119.950 0.012 0.000 2.161 33 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 33 F C 1.806 177.607 175.800 0.001 0.000 1.089 33 F CA 1.108 59.111 58.000 0.005 0.000 1.282 33 F CB -0.297 38.703 39.000 0.001 0.000 1.010 33 F HN 0.091 nan 8.300 nan 0.000 0.485 34 N N 0.185 118.880 118.700 -0.009 0.000 2.336 34 N HA 0.095 4.834 4.740 -0.000 0.000 0.189 34 N C 1.306 176.761 175.510 -0.092 0.000 1.113 34 N CA 0.912 53.903 53.050 -0.099 0.000 0.858 34 N CB 0.077 38.583 38.487 0.032 0.000 0.970 34 N HN 0.441 nan 8.380 nan 0.000 0.471 35 G N 0.743 109.504 108.800 -0.066 0.000 2.198 35 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 35 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 35 G C 0.030 174.928 174.900 -0.002 0.000 1.025 35 G CA 0.054 45.129 45.100 -0.041 0.000 0.769 35 G HN 0.189 nan 8.290 nan 0.000 0.507 36 V N 0.548 120.481 119.914 0.030 0.000 2.267 36 V HA 0.269 4.389 4.120 -0.000 0.000 0.254 36 V C 1.578 177.772 176.094 0.166 0.000 1.144 36 V CA 0.230 62.565 62.300 0.059 0.000 0.992 36 V CB 0.436 32.279 31.823 0.035 0.000 1.199 36 V HN 0.485 nan 8.190 nan 0.000 0.493 37 R N 1.600 122.156 120.500 0.093 0.000 2.254 37 R HA 0.110 4.450 4.340 -0.000 0.000 0.195 37 R C 1.002 177.253 176.300 -0.082 0.000 0.957 37 R CA 0.003 56.129 56.100 0.043 0.000 1.024 37 R CB 0.152 30.445 30.300 -0.012 0.000 0.952 37 R HN 0.471 nan 8.270 nan 0.000 0.484 38 N N 2.145 120.837 118.700 -0.013 0.000 2.602 38 N HA -0.003 4.737 4.740 -0.000 0.000 0.238 38 N C -1.382 174.102 175.510 -0.043 0.000 1.084 38 N CA 0.084 53.076 53.050 -0.097 0.000 0.952 38 N CB 0.119 38.547 38.487 -0.098 0.000 1.244 38 N HN 0.346 nan 8.380 nan 0.000 0.512 39 H N -0.580 118.446 119.070 -0.072 0.000 3.046 39 H HA 0.484 5.040 4.556 -0.000 0.000 0.361 39 H C -1.309 174.015 175.328 -0.007 0.000 1.235 39 H CA -0.804 55.208 56.048 -0.061 0.000 1.146 39 H CB 1.204 30.937 29.762 -0.049 0.000 1.859 39 H HN 0.238 nan 8.280 nan 0.000 0.548 40 T N -0.678 113.976 114.554 0.167 0.000 2.909 40 T HA 0.547 4.897 4.350 -0.000 0.000 0.299 40 T C 0.006 174.855 174.700 0.248 0.000 1.073 40 T CA -0.498 61.718 62.100 0.193 0.000 0.999 40 T CB 1.602 70.632 68.868 0.270 0.000 1.098 40 T HN 0.763 nan 8.240 nan 0.000 0.477 41 V N 0.609 120.603 119.914 0.134 0.000 2.966 41 V HA 0.761 4.881 4.120 -0.000 0.000 0.317 41 V C 0.300 176.189 176.094 -0.343 0.000 1.070 41 V CA -1.417 60.880 62.300 -0.005 0.000 1.008 41 V CB 0.744 32.562 31.823 -0.009 0.000 1.070 41 V HN 0.922 nan 8.190 nan 0.000 0.457 42 F N 2.404 121.885 119.950 -0.782 0.000 2.635 42 F HA 0.410 4.937 4.527 -0.000 0.000 0.379 42 F C 0.608 175.888 175.800 -0.867 0.000 1.094 42 F CA 1.645 58.761 58.000 -1.474 0.000 1.300 42 F CB 0.287 38.849 39.000 -0.731 0.000 1.035 42 F HN 0.969 nan 8.300 nan 0.000 0.581 43 S N 3.992 118.644 115.700 -1.746 0.000 2.535 43 S HA 0.657 5.127 4.470 -0.000 0.000 0.272 43 S C -0.003 174.078 174.600 -0.865 0.000 1.149 43 S CA -0.271 57.344 58.200 -0.975 0.000 0.888 43 S CB 1.301 64.275 63.200 -0.375 0.000 1.110 43 S HN 1.062 nan 8.310 nan 0.000 0.463 44 A N 2.465 124.936 122.820 -0.581 0.000 2.218 44 A HA 0.281 4.601 4.320 -0.000 0.000 0.209 44 A C 0.133 177.659 177.584 -0.097 0.000 1.168 44 A CA 0.249 52.139 52.037 -0.245 0.000 0.804 44 A CB -0.497 18.459 19.000 -0.074 0.000 0.834 44 A HN 0.787 nan 8.150 nan 0.000 0.482 45 D N 0.861 121.199 120.400 -0.105 0.000 2.412 45 D HA 0.194 4.834 4.640 -0.000 0.000 0.257 45 D C 1.134 177.407 176.300 -0.045 0.000 1.217 45 D CA 0.414 54.378 54.000 -0.060 0.000 0.897 45 D CB 0.890 41.655 40.800 -0.057 0.000 1.132 45 D HN 0.186 nan 8.370 nan 0.000 0.493 46 S N 1.963 117.633 115.700 -0.050 0.000 2.440 46 S HA -0.189 4.280 4.470 -0.000 0.000 0.240 46 S C 1.102 175.656 174.600 -0.077 0.000 1.014 46 S CA 0.965 59.122 58.200 -0.072 0.000 0.980 46 S CB 0.018 63.170 63.200 -0.081 0.000 0.775 46 S HN 0.501 nan 8.310 nan 0.000 0.499 47 D N 1.549 121.911 120.400 -0.063 0.000 2.249 47 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 47 D C 1.107 177.369 176.300 -0.064 0.000 0.962 47 D CA 0.409 54.368 54.000 -0.067 0.000 0.860 47 D CB -0.387 40.381 40.800 -0.054 0.000 0.955 47 D HN 0.486 nan 8.370 nan 0.000 0.505 48 S N 0.845 116.522 115.700 -0.039 0.000 2.568 48 S HA -0.002 4.468 4.470 -0.000 0.000 0.282 48 S C 0.832 175.425 174.600 -0.011 0.000 1.338 48 S CA -0.528 57.667 58.200 -0.008 0.000 1.045 48 S CB 1.411 64.623 63.200 0.020 0.000 0.873 48 S HN -0.142 nan 8.310 nan 0.000 0.516 49 D N 1.019 121.426 120.400 0.012 0.000 2.149 49 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 49 D C 1.267 177.642 176.300 0.126 0.000 0.990 49 D CA 1.146 55.141 54.000 -0.008 0.000 0.839 49 D CB -0.409 40.483 40.800 0.153 0.000 0.948 49 D HN 0.686 nan 8.370 nan 0.000 0.460 50 F N 1.611 121.598 119.950 0.062 0.000 2.069 50 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 50 F C 2.077 177.907 175.800 0.051 0.000 1.113 50 F CA 1.720 59.769 58.000 0.081 0.000 1.214 50 F CB -0.391 38.599 39.000 -0.018 0.000 0.978 50 F HN -0.135 nan 8.300 nan 0.000 0.474 51 N N 0.144 118.930 118.700 0.142 0.000 2.166 51 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 51 N C 2.084 177.589 175.510 -0.009 0.000 1.019 51 N CA 1.433 54.526 53.050 0.072 0.000 0.856 51 N CB -0.315 38.238 38.487 0.111 0.000 0.993 51 N HN 0.345 nan 8.380 nan 0.000 0.426 52 R N -1.090 119.331 120.500 -0.131 0.000 2.073 52 R HA -0.083 4.256 4.340 -0.000 0.000 0.234 52 R C 1.553 177.675 176.300 -0.296 0.000 1.134 52 R CA 1.476 57.418 56.100 -0.264 0.000 0.952 52 R CB -0.337 29.701 30.300 -0.437 0.000 0.850 52 R HN 0.203 nan 8.270 nan 0.000 0.433 53 F N 0.486 120.340 119.950 -0.160 0.000 2.186 53 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 53 F C 2.041 177.698 175.800 -0.239 0.000 1.090 53 F CA 0.694 58.586 58.000 -0.180 0.000 1.307 53 F CB -0.660 38.245 39.000 -0.157 0.000 1.019 53 F HN 0.093 nan 8.300 nan 0.000 0.489 54 L N -0.349 120.748 121.223 -0.211 0.000 2.012 54 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 54 L C 2.373 179.033 176.870 -0.351 0.000 1.073 54 L CA 2.135 56.760 54.840 -0.359 0.000 0.748 54 L CB -0.962 40.767 42.059 -0.551 0.000 0.891 54 L HN 0.216 nan 8.230 nan 0.000 0.431 55 H N -1.685 117.273 119.070 -0.188 0.000 2.544 55 H HA 0.024 4.580 4.556 -0.000 0.000 0.269 55 H C 2.073 177.304 175.328 -0.162 0.000 0.970 55 H CA 0.751 56.695 56.048 -0.173 0.000 1.219 55 H CB 0.376 30.056 29.762 -0.136 0.000 1.421 55 H HN 0.254 nan 8.280 nan 0.000 0.555 56 L N 0.739 121.925 121.223 -0.061 0.000 2.043 56 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 56 L C 1.403 178.291 176.870 0.030 0.000 1.075 56 L CA 1.725 56.518 54.840 -0.078 0.000 0.752 56 L CB -0.229 41.773 42.059 -0.096 0.000 0.891 56 L HN -0.045 nan 8.230 nan 0.000 0.432 57 S N -1.051 114.648 115.700 -0.001 0.000 2.651 57 S HA 0.368 4.838 4.470 -0.000 0.000 0.246 57 S C 0.443 174.922 174.600 -0.202 0.000 1.039 57 S CA -0.427 57.770 58.200 -0.006 0.000 1.013 57 S CB -0.061 63.178 63.200 0.065 0.000 0.861 57 S HN 0.145 nan 8.310 nan 0.000 0.485 58 I N 2.743 123.125 120.570 -0.313 0.000 2.329 58 I HA 0.137 4.307 4.170 -0.000 0.000 0.295 58 I C 0.976 176.989 176.117 -0.174 0.000 1.109 58 I CA -0.099 60.912 61.300 -0.481 0.000 1.297 58 I CB 0.792 38.472 38.000 -0.533 0.000 1.433 58 I HN 0.121 nan 8.210 nan 0.000 0.509 59 Q N 3.460 123.184 119.800 -0.127 0.000 2.319 59 Q HA 0.126 4.466 4.340 -0.000 0.000 0.202 59 Q C 0.002 176.041 176.000 0.065 0.000 0.896 59 Q CA 0.226 55.938 55.803 -0.152 0.000 0.942 59 Q CB 0.176 28.515 28.738 -0.664 0.000 1.083 59 Q HN 0.504 nan 8.270 nan 0.000 0.510 60 N N 0.941 119.722 118.700 0.135 0.000 2.569 60 N HA 0.208 4.948 4.740 -0.000 0.000 0.254 60 N C -2.333 173.197 175.510 0.034 0.000 1.004 60 N CA -2.043 51.048 53.050 0.067 0.000 0.904 60 N CB 1.719 40.113 38.487 -0.155 0.000 1.165 60 N HN -0.249 nan 8.380 nan 0.000 0.513 61 P HA -0.108 nan 4.420 nan 0.000 0.226 61 P C 1.508 178.735 177.300 -0.122 0.000 1.146 61 P CA 0.327 63.399 63.100 -0.048 0.000 0.773 61 P CB 0.358 32.008 31.700 -0.083 0.000 0.772 62 L N -1.533 119.501 121.223 -0.314 0.000 2.189 62 L HA -0.118 4.221 4.340 -0.000 0.000 0.214 62 L C 1.134 177.695 176.870 -0.515 0.000 1.097 62 L CA 1.900 56.448 54.840 -0.487 0.000 0.764 62 L CB -1.057 40.512 42.059 -0.817 0.000 0.900 62 L HN -0.090 nan 8.230 nan 0.000 0.436 63 F N -0.921 119.058 119.950 0.047 0.000 2.684 63 F HA 0.202 4.729 4.527 -0.000 0.000 0.298 63 F C 1.783 177.688 175.800 0.176 0.000 1.120 63 F CA 0.059 58.139 58.000 0.135 0.000 1.332 63 F CB -0.382 38.740 39.000 0.203 0.000 0.986 63 F HN 0.293 nan 8.300 nan 0.000 0.524 64 Q N 0.092 120.030 119.800 0.230 0.000 2.384 64 Q HA 0.042 4.382 4.340 -0.000 0.000 0.207 64 Q C 0.678 176.848 176.000 0.283 0.000 0.904 64 Q CA -0.103 55.854 55.803 0.258 0.000 0.933 64 Q CB -0.128 28.746 28.738 0.228 0.000 1.077 64 Q HN 0.351 nan 8.270 nan 0.000 0.522 65 N N 0.998 119.820 118.700 0.203 0.000 2.288 65 N HA -0.104 4.635 4.740 -0.000 0.000 0.237 65 N C 0.493 176.123 175.510 0.200 0.000 1.311 65 N CA 0.651 53.805 53.050 0.172 0.000 0.909 65 N CB 0.961 39.524 38.487 0.126 0.000 1.167 65 N HN 0.040 nan 8.380 nan 0.000 0.476 66 S N -0.788 115.011 115.700 0.165 0.000 2.489 66 S HA 0.049 4.519 4.470 -0.000 0.000 0.228 66 S C 1.392 176.097 174.600 0.175 0.000 0.995 66 S CA 0.131 58.437 58.200 0.178 0.000 0.934 66 S CB -0.386 62.897 63.200 0.137 0.000 0.771 66 S HN 0.468 nan 8.310 nan 0.000 0.522 67 L N 1.520 122.834 121.223 0.151 0.000 2.567 67 L HA 0.352 4.691 4.340 -0.000 0.000 0.225 67 L C 0.465 177.427 176.870 0.154 0.000 1.119 67 L CA 0.209 55.131 54.840 0.136 0.000 0.871 67 L CB -0.160 41.963 42.059 0.106 0.000 1.036 67 L HN 0.293 nan 8.230 nan 0.000 0.459 68 I N 0.086 120.769 120.570 0.189 0.000 2.696 68 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 68 I C 1.126 177.382 176.117 0.230 0.000 1.129 68 I CA -0.036 61.393 61.300 0.215 0.000 1.410 68 I CB 0.682 38.843 38.000 0.268 0.000 1.399 68 I HN 0.249 nan 8.210 nan 0.000 0.579 69 S N 6.489 122.321 115.700 0.220 0.000 2.558 69 S HA 0.095 4.565 4.470 -0.000 0.000 0.291 69 S C -0.218 174.632 174.600 0.417 0.000 1.306 69 S CA -0.288 58.081 58.200 0.282 0.000 1.056 69 S CB 0.574 63.922 63.200 0.248 0.000 0.836 69 S HN 0.497 nan 8.310 nan 0.000 0.504 70 K N 2.299 122.949 120.400 0.417 0.000 2.422 70 K HA 0.545 4.865 4.320 -0.000 0.000 0.251 70 K C -3.069 173.549 176.600 0.029 0.000 0.933 70 K CA -2.389 54.137 56.287 0.397 0.000 0.798 70 K CB 1.485 34.301 32.500 0.528 0.000 1.238 70 K HN 0.394 nan 8.250 nan 0.000 0.428 71 P HA 0.164 nan 4.420 nan 0.000 0.272 71 P C 0.280 177.456 177.300 -0.207 0.000 1.223 71 P CA -0.111 62.453 63.100 -0.894 0.000 0.784 71 P CB 0.647 32.032 31.700 -0.526 0.000 0.923 72 S N 0.191 115.685 115.700 -0.343 0.000 2.436 72 S HA 0.221 4.691 4.470 -0.000 0.000 0.228 72 S C 0.812 175.309 174.600 -0.173 0.000 1.014 72 S CA 0.971 59.038 58.200 -0.222 0.000 0.950 72 S CB -0.157 62.891 63.200 -0.253 0.000 0.784 72 S HN 0.781 nan 8.310 nan 0.000 0.504 73 A N 0.362 123.086 122.820 -0.161 0.000 2.612 73 A HA 0.740 5.060 4.320 -0.000 0.000 0.293 73 A C -1.577 176.040 177.584 0.055 0.000 1.075 73 A CA -0.708 51.331 52.037 0.004 0.000 0.680 73 A CB 0.956 19.858 19.000 -0.164 0.000 1.279 73 A HN 0.203 nan 8.150 nan 0.000 0.411 74 I N 1.470 122.128 120.570 0.146 0.000 2.436 74 I HA 0.473 4.643 4.170 -0.000 0.000 0.289 74 I C -0.956 175.167 176.117 0.009 0.000 1.010 74 I CA -0.352 60.965 61.300 0.028 0.000 1.098 74 I CB 1.703 39.677 38.000 -0.045 0.000 1.266 74 I HN 0.477 nan 8.210 nan 0.000 0.434 75 I N 6.739 127.296 120.570 -0.023 0.000 2.465 75 I HA 0.333 4.502 4.170 -0.000 0.000 0.291 75 I C -0.983 175.109 176.117 -0.042 0.000 1.014 75 I CA -0.749 60.546 61.300 -0.009 0.000 1.093 75 I CB 2.104 40.087 38.000 -0.030 0.000 1.267 75 I HN 0.307 nan 8.210 nan 0.000 0.431 76 L N 8.472 129.656 121.223 -0.065 0.000 2.387 76 L HA 0.411 4.751 4.340 -0.000 0.000 0.259 76 L C -2.184 174.665 176.870 -0.034 0.000 1.050 76 L CA -1.445 53.345 54.840 -0.083 0.000 0.922 76 L CB 0.487 42.434 42.059 -0.187 0.000 1.280 76 L HN 0.306 nan 8.230 nan 0.000 0.449 77 P HA 0.152 nan 4.420 nan 0.000 0.271 77 P C 0.581 177.889 177.300 0.012 0.000 1.218 77 P CA -0.121 62.983 63.100 0.006 0.000 0.780 77 P CB 1.392 33.102 31.700 0.017 0.000 0.901 78 G N 0.355 109.159 108.800 0.006 0.000 3.192 78 G HA2 0.258 4.218 3.960 -0.000 0.000 0.239 78 G HA3 0.258 4.218 3.960 -0.000 0.000 0.239 78 G C 0.119 175.030 174.900 0.019 0.000 1.084 78 G CA 0.082 45.191 45.100 0.014 0.000 0.784 78 G HN 0.714 nan 8.290 nan 0.000 0.540 79 S N -1.040 114.657 115.700 -0.004 0.000 2.615 79 S HA 0.365 4.835 4.470 -0.000 0.000 0.269 79 S C 0.894 175.391 174.600 -0.172 0.000 1.161 79 S CA -0.138 58.028 58.200 -0.057 0.000 0.817 79 S CB 1.556 64.701 63.200 -0.091 0.000 1.131 79 S HN 0.178 nan 8.310 nan 0.000 0.467 80 K N 0.479 120.585 120.400 -0.491 0.000 2.097 80 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 80 K C 1.156 177.554 176.600 -0.335 0.000 1.049 80 K CA 1.850 57.700 56.287 -0.728 0.000 0.933 80 K CB -0.476 31.189 32.500 -1.392 0.000 0.717 80 K HN 0.541 nan 8.250 nan 0.000 0.442 81 E N 1.471 121.519 120.200 -0.253 0.000 2.077 81 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 81 E C 1.928 178.469 176.600 -0.097 0.000 0.989 81 E CA 1.665 57.975 56.400 -0.150 0.000 0.800 81 E CB -0.049 29.576 29.700 -0.126 0.000 0.746 81 E HN 0.462 nan 8.360 nan 0.000 0.452 82 E N -0.022 120.126 120.200 -0.086 0.000 2.110 82 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 82 E C 1.990 178.573 176.600 -0.029 0.000 0.988 82 E CA 0.626 56.999 56.400 -0.046 0.000 0.804 82 E CB -0.095 29.587 29.700 -0.031 0.000 0.745 82 E HN 0.116 nan 8.360 nan 0.000 0.458 83 L N 0.850 122.051 121.223 -0.037 0.000 2.046 83 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 83 L C 2.393 179.267 176.870 0.006 0.000 1.077 83 L CA 1.869 56.709 54.840 -0.000 0.000 0.747 83 L CB -0.750 41.320 42.059 0.019 0.000 0.896 83 L HN -0.033 nan 8.230 nan 0.000 0.432 84 S N -0.310 115.375 115.700 -0.025 0.000 2.359 84 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 84 S C 1.878 176.485 174.600 0.011 0.000 1.035 84 S CA 1.686 59.882 58.200 -0.006 0.000 1.018 84 S CB -0.445 62.733 63.200 -0.037 0.000 0.876 84 S HN 0.654 nan 8.310 nan 0.000 0.448 85 N N 0.578 119.277 118.700 -0.001 0.000 2.309 85 N HA -0.025 4.714 4.740 -0.000 0.000 0.182 85 N C 1.717 177.236 175.510 0.016 0.000 1.018 85 N CA 1.450 54.508 53.050 0.014 0.000 0.876 85 N CB -0.964 37.529 38.487 0.010 0.000 0.972 85 N HN 0.458 nan 8.380 nan 0.000 0.434 86 T N 1.851 116.410 114.554 0.008 0.000 2.708 86 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 86 T C 2.131 176.841 174.700 0.016 0.000 1.037 86 T CA 0.657 62.757 62.100 -0.000 0.000 1.146 86 T CB -0.123 68.746 68.868 0.001 0.000 0.865 86 T HN 0.157 nan 8.240 nan 0.000 0.435 87 I N 0.689 121.287 120.570 0.046 0.000 2.163 87 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 87 I C 2.810 178.953 176.117 0.043 0.000 1.085 87 I CA 1.451 62.791 61.300 0.067 0.000 1.347 87 I CB -0.333 37.749 38.000 0.136 0.000 1.044 87 I HN 0.148 nan 8.210 nan 0.000 0.408 88 R N -0.167 120.359 120.500 0.043 0.000 2.091 88 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 88 R C 2.417 178.737 176.300 0.033 0.000 1.136 88 R CA 1.862 57.984 56.100 0.036 0.000 0.959 88 R CB -0.766 29.557 30.300 0.038 0.000 0.856 88 R HN 0.440 nan 8.270 nan 0.000 0.437 89 c N 0.390 119.008 118.600 0.029 0.000 2.425 89 c HA -0.044 4.526 4.570 -0.000 0.000 0.277 89 c C 2.544 176.663 174.090 0.048 0.000 1.280 89 c CA 0.431 56.776 56.329 0.027 0.000 1.744 89 c CB -0.704 41.807 42.510 0.001 0.000 1.989 89 c HN 0.431 nan 8.230 nan 0.000 0.491 90 I N 0.400 120.995 120.570 0.041 0.000 2.394 90 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 90 I C 2.548 178.756 176.117 0.150 0.000 1.136 90 I CA 1.077 62.437 61.300 0.099 0.000 1.425 90 I CB -0.466 37.557 38.000 0.037 0.000 1.079 90 I HN 0.253 nan 8.210 nan 0.000 0.425 91 R N 1.260 121.799 120.500 0.065 0.000 2.193 91 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 91 R C 1.915 178.238 176.300 0.037 0.000 1.110 91 R CA 0.982 57.101 56.100 0.031 0.000 0.988 91 R CB -0.509 29.793 30.300 0.003 0.000 0.871 91 R HN 0.450 nan 8.270 nan 0.000 0.458 92 K N -0.225 120.209 120.400 0.057 0.000 2.365 92 K HA 0.009 4.329 4.320 -0.000 0.000 0.199 92 K C 1.347 177.969 176.600 0.036 0.000 1.045 92 K CA 0.833 57.142 56.287 0.037 0.000 0.962 92 K CB 0.165 32.686 32.500 0.035 0.000 0.759 92 K HN 0.152 nan 8.250 nan 0.000 0.469 93 G N 0.016 108.868 108.800 0.088 0.000 2.828 93 G HA2 0.109 4.069 3.960 -0.000 0.000 0.244 93 G HA3 0.109 4.069 3.960 -0.000 0.000 0.244 93 G C 0.264 175.081 174.900 -0.138 0.000 1.365 93 G CA -0.363 44.724 45.100 -0.021 0.000 1.041 93 G HN 0.118 nan 8.290 nan 0.000 0.560 94 S N -1.800 113.646 115.700 -0.424 0.000 2.554 94 S HA 0.152 4.621 4.470 -0.000 0.000 0.226 94 S C -0.139 174.308 174.600 -0.256 0.000 0.980 94 S CA -0.705 57.304 58.200 -0.318 0.000 0.939 94 S CB -0.238 62.760 63.200 -0.336 0.000 0.832 94 S HN 0.436 nan 8.310 nan 0.000 0.486 95 W N 2.542 123.833 121.300 -0.014 0.000 2.170 95 W HA 0.341 5.001 4.660 -0.001 0.000 0.342 95 W C 0.521 177.042 176.519 0.003 0.000 1.294 95 W CA -0.392 56.959 57.345 0.010 0.000 1.246 95 W CB 0.130 29.595 29.460 0.008 0.000 1.156 95 W HN -0.098 nan 8.180 nan 0.000 0.572 96 T N 4.151 118.894 114.554 0.315 0.000 2.856 96 T HA 0.338 4.688 4.350 -0.000 0.000 0.292 96 T C 0.104 174.929 174.700 0.207 0.000 0.980 96 T CA -0.509 61.696 62.100 0.175 0.000 1.091 96 T CB 0.359 69.316 68.868 0.148 0.000 0.936 96 T HN 0.114 nan 8.240 nan 0.000 0.503 97 I N 3.790 124.398 120.570 0.063 0.000 2.395 97 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 97 I C 0.643 176.837 176.117 0.129 0.000 1.023 97 I CA -0.437 60.908 61.300 0.077 0.000 1.350 97 I CB 0.539 38.503 38.000 -0.060 0.000 1.409 97 I HN 0.233 nan 8.210 nan 0.000 0.507 98 R N 6.911 127.534 120.500 0.205 0.000 2.534 98 R HA 0.613 4.953 4.340 -0.000 0.000 0.301 98 R C -1.158 175.250 176.300 0.180 0.000 0.961 98 R CA -0.874 55.335 56.100 0.180 0.000 0.871 98 R CB 1.905 32.337 30.300 0.219 0.000 1.170 98 R HN 0.542 nan 8.270 nan 0.000 0.446 99 L N 2.723 124.041 121.223 0.158 0.000 2.307 99 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 99 L C 0.334 177.276 176.870 0.121 0.000 1.023 99 L CA -0.701 54.224 54.840 0.142 0.000 0.810 99 L CB 1.622 43.766 42.059 0.141 0.000 1.231 99 L HN 0.321 nan 8.230 nan 0.000 0.423 100 R N 1.228 121.800 120.500 0.120 0.000 2.532 100 R HA 0.418 4.758 4.340 -0.000 0.000 0.297 100 R C -0.249 176.114 176.300 0.106 0.000 0.984 100 R CA -0.173 56.001 56.100 0.125 0.000 0.884 100 R CB 2.214 32.606 30.300 0.154 0.000 1.182 100 R HN 0.734 nan 8.270 nan 0.000 0.442 101 S N 1.727 117.492 115.700 0.108 0.000 2.860 101 S HA 0.193 4.663 4.470 -0.000 0.000 0.181 101 S C 1.312 175.969 174.600 0.094 0.000 0.763 101 S CA 0.671 58.928 58.200 0.095 0.000 0.829 101 S CB 0.039 63.303 63.200 0.107 0.000 0.793 101 S HN 0.747 nan 8.310 nan 0.000 0.614 102 G N -1.098 107.771 108.800 0.116 0.000 2.887 102 G HA2 0.406 4.366 3.960 -0.000 0.000 0.211 102 G HA3 0.406 4.366 3.960 -0.000 0.000 0.211 102 G C 1.036 176.039 174.900 0.172 0.000 1.152 102 G CA 0.475 45.664 45.100 0.148 0.000 0.769 102 G HN 1.459 nan 8.290 nan 0.000 0.541 103 G N -0.082 108.814 108.800 0.161 0.000 2.153 103 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 103 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 103 G C 0.784 175.768 174.900 0.141 0.000 0.994 103 G CA 0.521 45.717 45.100 0.159 0.000 0.698 103 G HN 0.568 nan 8.290 nan 0.000 0.521 104 H N 0.056 119.209 119.070 0.139 0.000 2.547 104 H HA 0.196 4.751 4.556 -0.000 0.000 0.266 104 H C 1.804 177.243 175.328 0.185 0.000 0.988 104 H CA 0.824 56.975 56.048 0.172 0.000 1.147 104 H CB 0.291 30.107 29.762 0.091 0.000 1.365 104 H HN 0.462 nan 8.280 nan 0.000 0.589 105 S N 1.065 116.860 115.700 0.158 0.000 2.784 105 S HA -0.163 4.307 4.470 -0.000 0.000 0.322 105 S C 1.137 175.831 174.600 0.157 0.000 1.234 105 S CA -0.323 57.889 58.200 0.020 0.000 1.064 105 S CB 0.026 63.137 63.200 -0.149 0.000 0.787 105 S HN 0.229 nan 8.310 nan 0.000 0.506 106 Y N 2.877 123.196 120.300 0.033 0.000 2.333 106 Y HA -0.012 4.538 4.550 -0.000 0.000 0.290 106 Y C 2.157 178.058 175.900 0.002 0.000 1.144 106 Y CA 0.898 59.041 58.100 0.071 0.000 1.228 106 Y CB -0.122 38.402 38.460 0.106 0.000 0.985 106 Y HN 0.687 nan 8.280 nan 0.000 0.542 107 E N -1.125 119.081 120.200 0.010 0.000 2.501 107 E HA 0.204 4.554 4.350 -0.000 0.000 0.200 107 E C 1.376 177.350 176.600 -1.043 0.000 1.016 107 E CA 0.477 56.737 56.400 -0.234 0.000 0.921 107 E CB 0.132 29.748 29.700 -0.139 0.000 1.034 107 E HN 0.401 nan 8.360 nan 0.000 0.468 108 G N 1.956 110.157 108.800 -0.998 0.000 2.225 108 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 108 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 108 G C 0.902 175.047 174.900 -1.259 0.000 1.024 108 G CA 0.497 44.728 45.100 -1.448 0.000 0.784 108 G HN 0.371 nan 8.290 nan 0.000 0.507 109 L N 0.673 121.442 121.223 -0.756 0.000 2.552 109 L HA 0.022 4.362 4.340 -0.000 0.000 0.227 109 L C 2.675 179.268 176.870 -0.463 0.000 1.146 109 L CA 1.411 55.902 54.840 -0.582 0.000 0.858 109 L CB -0.237 41.506 42.059 -0.527 0.000 0.969 109 L HN 0.514 nan 8.230 nan 0.000 0.451 110 S N -0.784 114.669 115.700 -0.412 0.000 2.558 110 S HA -0.085 4.385 4.470 -0.000 0.000 0.217 110 S C 1.010 175.608 174.600 -0.003 0.000 0.975 110 S CA 0.050 58.175 58.200 -0.126 0.000 0.912 110 S CB -0.161 63.074 63.200 0.058 0.000 0.776 110 S HN 0.638 nan 8.310 nan 0.000 0.526 111 Y N 0.315 120.561 120.300 -0.091 0.000 2.888 111 Y HA 0.480 5.029 4.550 -0.000 0.000 0.260 111 Y C 0.007 175.902 175.900 -0.007 0.000 1.113 111 Y CA -0.664 57.462 58.100 0.044 0.000 1.237 111 Y CB -0.467 38.018 38.460 0.041 0.000 1.307 111 Y HN 0.226 nan 8.280 nan 0.000 0.580 112 T N -1.661 112.607 114.554 -0.477 0.000 2.916 112 T HA 0.774 5.124 4.350 -0.000 0.000 0.292 112 T C -0.640 173.591 174.700 -0.781 0.000 1.055 112 T CA -0.767 61.041 62.100 -0.487 0.000 1.009 112 T CB 2.135 70.777 68.868 -0.377 0.000 1.118 112 T HN 0.325 nan 8.240 nan 0.000 0.497 113 S N 0.304 115.579 115.700 -0.709 0.000 2.560 113 S HA 0.336 4.806 4.470 -0.000 0.000 0.283 113 S C -0.260 174.243 174.600 -0.162 0.000 1.141 113 S CA -0.385 57.502 58.200 -0.522 0.000 0.902 113 S CB 1.329 64.033 63.200 -0.827 0.000 1.104 113 S HN 0.933 nan 8.310 nan 0.000 0.454 114 D N 2.213 122.578 120.400 -0.059 0.000 2.371 114 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 114 D C 0.883 177.223 176.300 0.066 0.000 0.986 114 D CA 0.946 54.958 54.000 0.020 0.000 0.899 114 D CB -0.298 40.516 40.800 0.022 0.000 0.902 114 D HN 0.577 nan 8.370 nan 0.000 0.530 115 T N -4.135 110.471 114.554 0.087 0.000 2.924 115 T HA 0.594 4.944 4.350 -0.000 0.000 0.291 115 T C -2.995 171.861 174.700 0.260 0.000 1.045 115 T CA -2.367 59.810 62.100 0.129 0.000 1.015 115 T CB 1.896 70.823 68.868 0.099 0.000 1.103 115 T HN -0.317 nan 8.240 nan 0.000 0.496 116 P HA 0.347 nan 4.420 nan 0.000 0.266 116 P C -0.888 176.771 177.300 0.599 0.000 1.195 116 P CA -0.144 63.185 63.100 0.382 0.000 0.768 116 P CB -0.033 31.797 31.700 0.216 0.000 0.838 117 F N 1.205 121.370 119.950 0.358 0.000 2.662 117 F HA 0.709 5.236 4.527 -0.000 0.000 0.312 117 F C -1.601 174.254 175.800 0.091 0.000 1.113 117 F CA -1.354 56.804 58.000 0.263 0.000 0.951 117 F CB 1.151 40.238 39.000 0.145 0.000 1.344 117 F HN -0.043 nan 8.300 nan 0.000 0.462 118 I N 3.458 124.064 120.570 0.061 0.000 2.433 118 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 118 I C -1.045 175.098 176.117 0.045 0.000 1.001 118 I CA -0.789 60.394 61.300 -0.194 0.000 1.119 118 I CB 1.575 39.381 38.000 -0.324 0.000 1.289 118 I HN 0.657 nan 8.210 nan 0.000 0.438 119 L N 8.033 129.258 121.223 0.003 0.000 2.257 119 L HA 0.508 4.847 4.340 -0.000 0.000 0.290 119 L C -0.447 176.459 176.870 0.060 0.000 1.044 119 L CA 0.105 55.025 54.840 0.132 0.000 0.810 119 L CB 0.485 42.626 42.059 0.135 0.000 1.193 119 L HN 0.356 nan 8.230 nan 0.000 0.425 120 I N 5.188 125.809 120.570 0.086 0.000 2.291 120 I HA 0.227 4.396 4.170 -0.000 0.000 0.290 120 I C -0.226 175.929 176.117 0.064 0.000 1.050 120 I CA -0.285 61.049 61.300 0.057 0.000 1.245 120 I CB 0.802 38.848 38.000 0.077 0.000 1.405 120 I HN 0.561 nan 8.210 nan 0.000 0.478 121 D N 7.223 127.641 120.400 0.030 0.000 2.232 121 D HA 0.239 4.879 4.640 -0.000 0.000 0.242 121 D C 0.397 176.714 176.300 0.029 0.000 1.093 121 D CA -0.315 53.705 54.000 0.034 0.000 0.845 121 D CB 1.744 42.547 40.800 0.004 0.000 1.124 121 D HN 0.465 nan 8.370 nan 0.000 0.467 122 L N 4.721 125.975 121.223 0.051 0.000 2.685 122 L HA 0.075 4.415 4.340 -0.000 0.000 0.233 122 L C 2.322 179.218 176.870 0.044 0.000 1.173 122 L CA -0.125 54.745 54.840 0.050 0.000 0.961 122 L CB -0.289 41.805 42.059 0.058 0.000 1.217 122 L HN 0.479 nan 8.230 nan 0.000 0.478 123 M N -1.928 117.702 119.600 0.050 0.000 2.267 123 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 123 M C 1.016 177.343 176.300 0.045 0.000 1.063 123 M CA 1.734 57.068 55.300 0.057 0.000 1.090 123 M CB -0.427 32.251 32.600 0.131 0.000 1.392 123 M HN 0.126 nan 8.290 nan 0.000 0.422 124 N N 1.279 120.001 118.700 0.037 0.000 2.412 124 N HA 0.230 4.970 4.740 -0.000 0.000 0.184 124 N C 0.147 175.682 175.510 0.041 0.000 1.101 124 N CA 0.570 53.642 53.050 0.035 0.000 0.881 124 N CB 0.101 38.599 38.487 0.018 0.000 0.969 124 N HN 0.446 nan 8.380 nan 0.000 0.459 125 L N 2.192 123.443 121.223 0.046 0.000 2.598 125 L HA 0.240 4.580 4.340 -0.000 0.000 0.241 125 L C 0.314 177.194 176.870 0.017 0.000 1.244 125 L CA -0.307 54.567 54.840 0.057 0.000 1.198 125 L CB -0.180 41.932 42.059 0.089 0.000 1.448 125 L HN 0.066 nan 8.230 nan 0.000 0.406 126 N N 0.539 119.248 118.700 0.016 0.000 2.416 126 N HA 0.074 4.814 4.740 -0.000 0.000 0.267 126 N C 0.044 175.559 175.510 0.008 0.000 1.294 126 N CA -0.527 52.523 53.050 -0.001 0.000 0.891 126 N CB 0.342 38.819 38.487 -0.016 0.000 1.238 126 N HN 0.268 nan 8.380 nan 0.000 0.508 127 R N 0.032 120.541 120.500 0.017 0.000 2.390 127 R HA 0.486 4.826 4.340 -0.000 0.000 0.291 127 R C -0.615 175.704 176.300 0.032 0.000 1.070 127 R CA -0.482 55.636 56.100 0.031 0.000 1.014 127 R CB 1.645 31.970 30.300 0.042 0.000 1.007 127 R HN -0.068 nan 8.270 nan 0.000 0.466 128 V N 1.924 121.866 119.914 0.046 0.000 2.448 128 V HA 0.256 4.376 4.120 -0.000 0.000 0.295 128 V C -0.326 175.808 176.094 0.066 0.000 1.025 128 V CA -0.522 61.809 62.300 0.052 0.000 0.859 128 V CB 1.779 33.628 31.823 0.043 0.000 0.988 128 V HN 0.745 nan 8.190 nan 0.000 0.431 129 S N 6.023 121.779 115.700 0.093 0.000 2.566 129 S HA 0.665 5.135 4.470 -0.000 0.000 0.324 129 S C -0.679 173.975 174.600 0.089 0.000 1.081 129 S CA -0.479 57.781 58.200 0.100 0.000 1.105 129 S CB 0.295 63.577 63.200 0.136 0.000 0.981 129 S HN 0.546 nan 8.310 nan 0.000 0.464 130 I N 3.902 124.502 120.570 0.051 0.000 2.353 130 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 130 I C -0.300 175.833 176.117 0.027 0.000 0.992 130 I CA -0.555 60.758 61.300 0.021 0.000 1.268 130 I CB 1.367 39.369 38.000 0.003 0.000 1.387 130 I HN 0.526 nan 8.210 nan 0.000 0.478 131 D N 6.910 127.319 120.400 0.016 0.000 2.441 131 D HA 0.262 4.901 4.640 -0.000 0.000 0.231 131 D C 0.465 176.761 176.300 -0.006 0.000 1.073 131 D CA -0.293 53.718 54.000 0.019 0.000 0.850 131 D CB 1.391 42.213 40.800 0.036 0.000 1.062 131 D HN 0.428 nan 8.370 nan 0.000 0.524 132 L N 2.612 123.831 121.223 -0.006 0.000 2.492 132 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 132 L C 1.831 178.691 176.870 -0.015 0.000 1.132 132 L CA 0.385 55.215 54.840 -0.017 0.000 0.850 132 L CB 0.179 42.230 42.059 -0.014 0.000 0.966 132 L HN 0.312 nan 8.230 nan 0.000 0.454 133 E N -0.075 120.121 120.200 -0.007 0.000 2.112 133 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 133 E C 2.257 178.850 176.600 -0.011 0.000 0.979 133 E CA 1.396 57.792 56.400 -0.006 0.000 0.814 133 E CB 0.017 29.718 29.700 0.002 0.000 0.762 133 E HN 0.457 nan 8.360 nan 0.000 0.460 134 S N -0.265 115.428 115.700 -0.012 0.000 2.517 134 S HA 0.062 4.532 4.470 -0.000 0.000 0.214 134 S C 0.400 174.977 174.600 -0.039 0.000 0.991 134 S CA -0.097 58.091 58.200 -0.021 0.000 0.906 134 S CB 0.065 63.256 63.200 -0.015 0.000 0.789 134 S HN 0.157 nan 8.310 nan 0.000 0.513 135 E N 1.805 121.979 120.200 -0.043 0.000 2.252 135 E HA -0.158 4.192 4.350 -0.000 0.000 0.218 135 E C -0.253 176.298 176.600 -0.082 0.000 1.253 135 E CA 0.743 57.105 56.400 -0.063 0.000 0.705 135 E CB -2.214 27.446 29.700 -0.068 0.000 1.172 135 E HN 0.861 nan 8.360 nan 0.000 0.369 136 T N -3.102 111.401 114.554 -0.086 0.000 2.887 136 T HA 0.858 5.208 4.350 -0.000 0.000 0.292 136 T C -0.504 174.115 174.700 -0.136 0.000 1.087 136 T CA -0.413 61.606 62.100 -0.134 0.000 1.009 136 T CB 2.569 71.341 68.868 -0.159 0.000 1.203 136 T HN 0.444 nan 8.240 nan 0.000 0.518 137 A N 0.020 122.717 122.820 -0.206 0.000 2.486 137 A HA 0.652 4.972 4.320 -0.000 0.000 0.300 137 A C -1.907 175.559 177.584 -0.196 0.000 1.048 137 A CA -1.070 50.884 52.037 -0.139 0.000 0.696 137 A CB 1.005 19.925 19.000 -0.134 0.000 1.278 137 A HN 0.828 nan 8.150 nan 0.000 0.405 138 W N 1.647 122.923 121.300 -0.039 0.000 2.361 138 W HA 0.539 5.199 4.660 -0.000 0.000 0.309 138 W C -0.525 175.960 176.519 -0.057 0.000 1.122 138 W CA -0.224 57.102 57.345 -0.033 0.000 1.208 138 W CB 1.975 31.424 29.460 -0.018 0.000 1.246 138 W HN 0.435 nan 8.180 nan 0.000 0.490 139 V N 4.263 124.297 119.914 0.201 0.000 2.349 139 V HA 0.158 4.278 4.120 -0.000 0.000 0.284 139 V C 0.059 176.174 176.094 0.036 0.000 1.014 139 V CA -1.280 61.073 62.300 0.088 0.000 0.826 139 V CB 0.865 32.720 31.823 0.053 0.000 1.009 139 V HN 0.483 nan 8.190 nan 0.000 0.431 140 E N 1.999 122.156 120.200 -0.071 0.000 2.415 140 E HA 0.028 4.378 4.350 -0.000 0.000 0.262 140 E C 1.017 177.555 176.600 -0.105 0.000 1.038 140 E CA 0.466 56.719 56.400 -0.245 0.000 0.921 140 E CB 0.781 30.364 29.700 -0.195 0.000 0.950 140 E HN 0.852 nan 8.360 nan 0.000 0.438 141 S N 1.456 117.064 115.700 -0.153 0.000 2.561 141 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 141 S C 1.586 176.213 174.600 0.044 0.000 0.977 141 S CA 0.331 58.523 58.200 -0.012 0.000 0.926 141 S CB 0.222 63.361 63.200 -0.102 0.000 0.769 141 S HN 0.618 nan 8.310 nan 0.000 0.533 142 G N 0.861 109.669 108.800 0.014 0.000 2.880 142 G HA2 0.186 4.146 3.960 -0.000 0.000 0.209 142 G HA3 0.186 4.146 3.960 -0.000 0.000 0.209 142 G C 0.295 175.197 174.900 0.003 0.000 1.157 142 G CA -0.316 44.798 45.100 0.024 0.000 0.779 142 G HN 0.492 nan 8.290 nan 0.000 0.539 143 S N 1.168 116.869 115.700 0.001 0.000 2.549 143 S HA 0.330 4.800 4.470 -0.000 0.000 0.286 143 S C 0.898 175.472 174.600 -0.045 0.000 1.314 143 S CA 0.015 58.200 58.200 -0.024 0.000 1.062 143 S CB 0.888 64.080 63.200 -0.013 0.000 0.865 143 S HN 0.544 nan 8.310 nan 0.000 0.498 144 T N 1.101 115.599 114.554 -0.093 0.000 2.816 144 T HA 0.385 4.735 4.350 -0.000 0.000 0.282 144 T C 1.549 176.120 174.700 -0.215 0.000 0.993 144 T CA -0.930 61.086 62.100 -0.140 0.000 0.994 144 T CB 0.272 69.044 68.868 -0.160 0.000 1.025 144 T HN 0.403 nan 8.240 nan 0.000 0.529 145 L N 0.890 121.921 121.223 -0.320 0.000 2.042 145 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 145 L C 3.025 179.479 176.870 -0.693 0.000 1.076 145 L CA 1.781 56.274 54.840 -0.579 0.000 0.749 145 L CB -1.314 40.394 42.059 -0.585 0.000 0.893 145 L HN 0.993 nan 8.230 nan 0.000 0.432 146 G N -0.377 108.231 108.800 -0.321 0.000 2.402 146 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 146 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 146 G C 1.423 176.312 174.900 -0.018 0.000 1.162 146 G CA 0.493 45.540 45.100 -0.088 0.000 0.777 146 G HN 0.401 nan 8.290 nan 0.000 0.539 147 E N -0.377 119.778 120.200 -0.074 0.000 2.085 147 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 147 E C 2.353 178.991 176.600 0.065 0.000 0.994 147 E CA 0.843 57.243 56.400 -0.001 0.000 0.801 147 E CB -0.154 29.516 29.700 -0.049 0.000 0.743 147 E HN 0.356 nan 8.360 nan 0.000 0.453 148 L N 0.176 121.374 121.223 -0.041 0.000 2.005 148 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 148 L C 1.956 178.937 176.870 0.186 0.000 1.072 148 L CA 1.734 56.573 54.840 -0.003 0.000 0.744 148 L CB -0.654 41.328 42.059 -0.130 0.000 0.895 148 L HN 0.082 nan 8.230 nan 0.000 0.433 149 Y N -1.202 119.234 120.300 0.228 0.000 2.165 149 Y HA -0.289 4.261 4.550 -0.000 0.000 0.286 149 Y C 2.626 178.664 175.900 0.230 0.000 1.155 149 Y CA 1.546 59.824 58.100 0.297 0.000 1.164 149 Y CB -1.625 36.935 38.460 0.166 0.000 0.978 149 Y HN 0.357 nan 8.280 nan 0.000 0.513 150 Y N 0.391 120.826 120.300 0.224 0.000 2.145 150 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 150 Y C 2.494 178.473 175.900 0.130 0.000 1.145 150 Y CA 1.501 59.683 58.100 0.137 0.000 1.148 150 Y CB -0.658 37.848 38.460 0.076 0.000 0.981 150 Y HN 0.035 nan 8.280 nan 0.000 0.507 151 A N 0.465 123.395 122.820 0.183 0.000 1.908 151 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 151 A C 2.280 179.879 177.584 0.026 0.000 1.181 151 A CA 2.121 54.201 52.037 0.072 0.000 0.627 151 A CB -1.180 17.886 19.000 0.110 0.000 0.818 151 A HN 0.595 nan 8.150 nan 0.000 0.445 152 I N -0.446 120.195 120.570 0.118 0.000 2.179 152 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 152 I C 2.555 178.733 176.117 0.102 0.000 1.088 152 I CA 1.796 63.166 61.300 0.116 0.000 1.357 152 I CB -0.704 37.411 38.000 0.192 0.000 1.051 152 I HN 0.261 nan 8.210 nan 0.000 0.409 153 T N 0.078 114.726 114.554 0.157 0.000 2.788 153 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 153 T C 1.755 176.420 174.700 -0.057 0.000 1.044 153 T CA 1.059 63.213 62.100 0.091 0.000 1.139 153 T CB -0.214 68.694 68.868 0.065 0.000 0.867 153 T HN 0.315 nan 8.240 nan 0.000 0.454 154 E N 1.464 121.551 120.200 -0.189 0.000 2.153 154 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 154 E C 2.618 179.168 176.600 -0.084 0.000 0.988 154 E CA 1.371 57.653 56.400 -0.197 0.000 0.811 154 E CB -0.231 29.280 29.700 -0.314 0.000 0.746 154 E HN 0.677 nan 8.360 nan 0.000 0.466 155 S N -0.813 114.856 115.700 -0.052 0.000 2.458 155 S HA 0.052 4.522 4.470 -0.000 0.000 0.223 155 S C 1.066 175.653 174.600 -0.021 0.000 1.019 155 S CA 0.150 58.333 58.200 -0.027 0.000 0.937 155 S CB 0.480 63.669 63.200 -0.018 0.000 0.788 155 S HN 0.028 nan 8.310 nan 0.000 0.511 156 S N -0.033 115.657 115.700 -0.016 0.000 2.537 156 S HA 0.479 4.948 4.470 -0.000 0.000 0.271 156 S C 0.163 174.765 174.600 0.004 0.000 1.148 156 S CA -0.035 58.156 58.200 -0.015 0.000 0.868 156 S CB 1.406 64.586 63.200 -0.033 0.000 1.115 156 S HN 0.445 nan 8.310 nan 0.000 0.461 157 S N 2.585 118.287 115.700 0.004 0.000 2.575 157 S HA 0.308 4.778 4.470 -0.000 0.000 0.215 157 S C 0.596 175.206 174.600 0.015 0.000 0.966 157 S CA -0.168 58.047 58.200 0.025 0.000 0.911 157 S CB -0.260 62.950 63.200 0.017 0.000 0.780 157 S HN 0.662 nan 8.310 nan 0.000 0.514 158 K N 0.668 121.055 120.400 -0.021 0.000 2.469 158 K HA 0.443 4.763 4.320 -0.000 0.000 0.204 158 K C -0.766 175.770 176.600 -0.106 0.000 1.047 158 K CA -0.054 56.207 56.287 -0.043 0.000 1.072 158 K CB 0.690 33.170 32.500 -0.033 0.000 0.863 158 K HN 0.301 nan 8.250 nan 0.000 0.530 159 L N -0.116 121.013 121.223 -0.157 0.000 2.370 159 L HA 0.651 4.991 4.340 -0.000 0.000 0.266 159 L C 0.175 176.694 176.870 -0.585 0.000 1.002 159 L CA -0.971 53.702 54.840 -0.278 0.000 0.818 159 L CB 2.118 44.063 42.059 -0.190 0.000 1.325 159 L HN 0.072 nan 8.230 nan 0.000 0.418 160 G N 0.547 108.833 108.800 -0.857 0.000 2.870 160 G HA2 0.713 4.672 3.960 -0.000 0.000 0.299 160 G HA3 0.713 4.672 3.960 -0.000 0.000 0.299 160 G C -2.285 172.183 174.900 -0.721 0.000 1.324 160 G CA -0.323 43.763 45.100 -1.690 0.000 0.808 160 G HN 0.292 nan 8.290 nan 0.000 0.535 161 F N -0.481 119.060 119.950 -0.681 0.000 2.641 161 F HA 0.635 5.162 4.527 -0.000 0.000 0.308 161 F C -0.352 175.505 175.800 0.094 0.000 1.105 161 F CA -0.718 57.178 58.000 -0.174 0.000 0.964 161 F CB 2.440 41.464 39.000 0.039 0.000 1.294 161 F HN 0.511 nan 8.300 nan 0.000 0.442 162 T N 4.299 118.344 114.554 -0.848 0.000 2.747 162 T HA 0.803 5.152 4.350 -0.000 0.000 0.301 162 T C -0.501 173.980 174.700 -0.364 0.000 0.952 162 T CA 0.498 62.349 62.100 -0.416 0.000 0.983 162 T CB -0.446 68.222 68.868 -0.333 0.000 0.930 162 T HN 0.988 nan 8.240 nan 0.000 0.494 163 A N 3.771 126.706 122.820 0.192 0.000 2.593 163 A HA 0.920 5.239 4.320 -0.000 0.000 0.304 163 A C 0.398 178.206 177.584 0.372 0.000 1.233 163 A CA -0.458 51.796 52.037 0.361 0.000 0.661 163 A CB 0.359 19.668 19.000 0.515 0.000 1.338 163 A HN 0.975 nan 8.150 nan 0.000 0.495 164 G N -1.092 107.920 108.800 0.353 0.000 2.651 164 G HA2 0.368 4.328 3.960 -0.000 0.000 0.260 164 G HA3 0.368 4.328 3.960 -0.000 0.000 0.260 164 G C 0.728 175.658 174.900 0.050 0.000 1.216 164 G CA 0.359 45.554 45.100 0.159 0.000 0.913 164 G HN 1.282 nan 8.290 nan 0.000 0.535 165 W N -1.052 120.194 121.300 -0.090 0.000 2.942 165 W HA 0.211 4.871 4.660 -0.001 0.000 0.263 165 W C -0.520 175.909 176.519 -0.150 0.000 1.296 165 W CA -0.666 56.553 57.345 -0.211 0.000 1.504 165 W CB -1.050 28.269 29.460 -0.236 0.000 1.096 165 W HN 0.136 nan 8.180 nan 0.000 0.639 166 C N 5.344 124.022 119.300 -1.038 0.000 2.464 166 C HA 0.148 4.607 4.460 -0.000 0.000 0.370 166 C C -0.076 174.584 174.990 -0.550 0.000 1.267 166 C CA -0.937 57.427 59.018 -1.089 0.000 1.781 166 C CB 0.551 27.579 27.740 -1.186 0.000 2.431 166 C HN 0.110 nan 8.230 nan 0.000 0.556 167 P HA -0.078 nan 4.420 nan 0.000 0.223 167 P C 1.192 178.359 177.300 -0.222 0.000 1.151 167 P CA 1.511 64.496 63.100 -0.191 0.000 0.787 167 P CB -0.108 31.537 31.700 -0.091 0.000 0.788 168 T N -3.937 110.476 114.554 -0.235 0.000 3.086 168 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 168 T C 0.739 175.342 174.700 -0.161 0.000 1.074 168 T CA -0.258 61.774 62.100 -0.113 0.000 0.988 168 T CB -0.767 68.156 68.868 0.092 0.000 0.988 168 T HN -0.223 nan 8.240 nan 0.000 0.530 169 V N 2.333 121.942 119.914 -0.507 0.000 2.673 169 V HA 0.463 4.583 4.120 -0.000 0.000 0.303 169 V C 1.356 177.323 176.094 -0.211 0.000 1.046 169 V CA -0.167 61.835 62.300 -0.496 0.000 1.126 169 V CB 0.474 31.903 31.823 -0.657 0.000 0.934 169 V HN 0.628 nan 8.190 nan 0.000 0.487 170 G N 2.647 111.423 108.800 -0.039 0.000 2.415 170 G HA2 0.355 4.315 3.960 -0.000 0.000 0.269 170 G HA3 0.355 4.315 3.960 -0.000 0.000 0.269 170 G C 1.070 175.998 174.900 0.048 0.000 1.209 170 G CA 0.306 45.412 45.100 0.010 0.000 0.835 170 G HN 0.930 nan 8.290 nan 0.000 0.534 171 T N -0.116 114.480 114.554 0.070 0.000 2.915 171 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 171 T C 2.388 177.299 174.700 0.353 0.000 1.071 171 T CA 1.451 63.646 62.100 0.159 0.000 1.132 171 T CB -0.293 68.671 68.868 0.160 0.000 0.878 171 T HN 0.571 nan 8.240 nan 0.000 0.479 172 G N 1.528 110.517 108.800 0.314 0.000 2.480 172 G HA2 0.042 4.002 3.960 -0.000 0.000 0.216 172 G HA3 0.042 4.002 3.960 -0.000 0.000 0.216 172 G C 1.689 176.782 174.900 0.323 0.000 1.200 172 G CA 0.690 45.998 45.100 0.347 0.000 0.782 172 G HN 0.638 nan 8.290 nan 0.000 0.554 173 G N -0.518 108.409 108.800 0.211 0.000 2.394 173 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 173 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 173 G C 1.592 176.581 174.900 0.148 0.000 1.165 173 G CA 1.280 46.474 45.100 0.157 0.000 0.784 173 G HN 0.556 nan 8.290 nan 0.000 0.535 174 H N 0.708 119.797 119.070 0.032 0.000 2.293 174 H HA 0.079 4.635 4.556 -0.000 0.000 0.300 174 H C 2.480 177.777 175.328 -0.052 0.000 1.082 174 H CA 1.632 57.665 56.048 -0.025 0.000 1.308 174 H CB -0.163 29.572 29.762 -0.045 0.000 1.375 174 H HN 0.294 nan 8.280 nan 0.000 0.495 175 I N -0.586 119.924 120.570 -0.101 0.000 2.439 175 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 175 I C 2.224 178.142 176.117 -0.333 0.000 1.139 175 I CA 1.003 62.029 61.300 -0.456 0.000 1.438 175 I CB -0.295 37.046 38.000 -1.098 0.000 1.085 175 I HN 0.215 nan 8.210 nan 0.000 0.427 176 S N 0.801 116.544 115.700 0.072 0.000 2.419 176 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 176 S C 1.850 176.527 174.600 0.128 0.000 1.019 176 S CA 1.426 59.777 58.200 0.252 0.000 0.982 176 S CB -0.323 63.099 63.200 0.371 0.000 0.789 176 S HN 0.662 nan 8.310 nan 0.000 0.490 177 G N -0.769 108.051 108.800 0.034 0.000 3.126 177 G HA2 0.511 4.471 3.960 -0.000 0.000 0.224 177 G HA3 0.511 4.471 3.960 -0.000 0.000 0.224 177 G C 0.691 175.637 174.900 0.076 0.000 1.142 177 G CA 0.368 45.496 45.100 0.046 0.000 0.759 177 G HN 0.701 nan 8.290 nan 0.000 0.550 178 G N -0.601 108.164 108.800 -0.059 0.000 2.130 178 G HA2 0.413 4.373 3.960 -0.000 0.000 0.222 178 G HA3 0.413 4.373 3.960 -0.000 0.000 0.222 178 G C 0.536 175.268 174.900 -0.279 0.000 1.694 178 G CA 0.680 45.725 45.100 -0.092 0.000 1.432 178 G HN 2.004 nan 8.290 nan 0.000 0.476 179 G N -0.393 108.235 108.800 -0.288 0.000 2.798 179 G HA2 0.419 4.379 3.960 -0.000 0.000 0.658 179 G HA3 0.419 4.379 3.960 -0.000 0.000 0.658 179 G C -0.612 174.224 174.900 -0.108 0.000 1.148 179 G CA 0.342 45.060 45.100 -0.636 0.000 1.200 179 G HN 1.776 nan 8.290 nan 0.000 0.519 180 F N 2.616 122.556 119.950 -0.016 0.000 2.443 180 F HA 0.839 5.366 4.527 0.000 0.000 0.335 180 F C 0.725 176.608 175.800 0.138 0.000 1.104 180 F CA 0.866 58.848 58.000 -0.029 0.000 1.013 180 F CB 1.791 40.738 39.000 -0.088 0.000 1.136 180 F HN 0.780 nan 8.300 nan 0.000 0.470 181 G N 4.392 112.833 108.800 -0.599 0.000 2.731 181 G HA2 0.181 4.141 3.960 -0.000 0.000 0.309 181 G HA3 0.181 4.141 3.960 -0.000 0.000 0.309 181 G C -0.195 174.414 174.900 -0.485 0.000 1.273 181 G CA -0.723 44.205 45.100 -0.286 0.000 0.798 181 G HN 0.451 nan 8.290 nan 0.000 0.509 182 M N 0.140 119.563 119.600 -0.296 0.000 2.549 182 M HA 0.177 4.657 4.480 -0.000 0.000 0.260 182 M C 1.896 178.007 176.300 -0.315 0.000 1.076 182 M CA 1.134 56.256 55.300 -0.296 0.000 1.090 182 M CB -0.654 31.706 32.600 -0.401 0.000 1.418 182 M HN 0.390 nan 8.290 nan 0.000 0.486 183 M N -1.612 117.856 119.600 -0.220 0.000 2.356 183 M HA 0.083 4.563 4.480 -0.000 0.000 0.262 183 M C 1.445 177.692 176.300 -0.090 0.000 1.097 183 M CA 0.004 55.270 55.300 -0.056 0.000 0.991 183 M CB 0.048 32.747 32.600 0.164 0.000 1.450 183 M HN 0.018 nan 8.290 nan 0.000 0.495 184 S N 0.908 116.410 115.700 -0.330 0.000 2.423 184 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 184 S C 1.822 176.283 174.600 -0.233 0.000 1.014 184 S CA 0.972 58.930 58.200 -0.404 0.000 0.965 184 S CB -0.139 62.508 63.200 -0.922 0.000 0.785 184 S HN 0.513 nan 8.310 nan 0.000 0.495 185 R N 0.836 121.256 120.500 -0.134 0.000 2.189 185 R HA 0.021 4.361 4.340 -0.000 0.000 0.223 185 R C 2.142 178.390 176.300 -0.087 0.000 1.092 185 R CA 0.988 57.070 56.100 -0.030 0.000 0.989 185 R CB -0.072 30.282 30.300 0.090 0.000 0.876 185 R HN 0.180 nan 8.270 nan 0.000 0.457 186 K N -0.665 119.634 120.400 -0.168 0.000 2.244 186 K HA -0.005 4.315 4.320 -0.000 0.000 0.200 186 K C 0.460 176.731 176.600 -0.548 0.000 1.052 186 K CA 1.048 57.044 56.287 -0.485 0.000 0.980 186 K CB 0.391 32.390 32.500 -0.834 0.000 0.838 186 K HN 0.025 nan 8.250 nan 0.000 0.481 187 Y N -0.596 119.609 120.300 -0.159 0.000 2.610 187 Y HA 0.383 4.933 4.550 -0.000 0.000 0.254 187 Y C 0.682 176.463 175.900 -0.198 0.000 1.110 187 Y CA -0.254 57.734 58.100 -0.186 0.000 1.238 187 Y CB 1.109 39.447 38.460 -0.204 0.000 1.322 187 Y HN 0.245 nan 8.280 nan 0.000 0.547 188 G N 0.883 109.635 108.800 -0.080 0.000 2.593 188 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.237 188 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.237 188 G C -0.465 174.313 174.900 -0.203 0.000 1.312 188 G CA -0.400 44.620 45.100 -0.134 0.000 0.896 188 G HN 0.135 nan 8.290 nan 0.000 0.574 189 L N 0.525 121.630 121.223 -0.197 0.000 2.439 189 L HA 0.556 4.896 4.340 -0.000 0.000 0.259 189 L C 2.336 179.064 176.870 -0.236 0.000 1.129 189 L CA -0.181 54.516 54.840 -0.239 0.000 0.803 189 L CB 0.812 42.710 42.059 -0.269 0.000 1.161 189 L HN 1.090 nan 8.230 nan 0.000 0.462 190 A N 1.536 124.209 122.820 -0.245 0.000 1.892 190 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 190 A C 2.259 179.774 177.584 -0.114 0.000 1.188 190 A CA 2.086 54.006 52.037 -0.195 0.000 0.631 190 A CB -0.875 18.128 19.000 0.004 0.000 0.822 190 A HN 0.905 nan 8.150 nan 0.000 0.447 191 A N -0.471 122.223 122.820 -0.210 0.000 2.070 191 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 191 A C 1.470 178.981 177.584 -0.122 0.000 1.159 191 A CA 1.619 53.506 52.037 -0.250 0.000 0.656 191 A CB -0.453 18.382 19.000 -0.275 0.000 0.800 191 A HN 0.474 nan 8.150 nan 0.000 0.453 192 D N -0.001 120.386 120.400 -0.022 0.000 2.363 192 D HA -0.023 4.617 4.640 -0.000 0.000 0.226 192 D C 0.408 176.822 176.300 0.191 0.000 1.020 192 D CA 0.491 54.603 54.000 0.187 0.000 0.892 192 D CB -0.074 40.823 40.800 0.162 0.000 0.900 192 D HN 0.435 nan 8.370 nan 0.000 0.531 193 N N 0.144 118.897 118.700 0.087 0.000 2.299 193 N HA 0.069 4.809 4.740 -0.000 0.000 0.246 193 N C -0.655 174.945 175.510 0.151 0.000 1.254 193 N CA -0.008 53.118 53.050 0.126 0.000 0.879 193 N CB 2.272 40.816 38.487 0.095 0.000 1.214 193 N HN -0.087 nan 8.380 nan 0.000 0.510 194 V N 1.910 121.878 119.914 0.091 0.000 2.407 194 V HA 0.151 4.271 4.120 -0.000 0.000 0.278 194 V C 1.411 177.644 176.094 0.231 0.000 1.037 194 V CA -0.303 62.051 62.300 0.091 0.000 0.900 194 V CB 1.688 33.513 31.823 0.002 0.000 0.983 194 V HN 0.094 nan 8.190 nan 0.000 0.459 195 V N -0.001 120.021 119.914 0.179 0.000 3.635 195 V HA 0.498 4.618 4.120 -0.000 0.000 0.266 195 V C 0.267 176.392 176.094 0.052 0.000 1.316 195 V CA 0.487 62.882 62.300 0.158 0.000 1.060 195 V CB 0.667 32.495 31.823 0.009 0.000 0.820 195 V HN 0.766 nan 8.190 nan 0.000 0.447 196 D N -0.675 119.767 120.400 0.071 0.000 2.665 196 D HA 0.805 5.445 4.640 -0.000 0.000 0.287 196 D C -1.223 175.233 176.300 0.260 0.000 1.266 196 D CA 0.513 54.514 54.000 0.002 0.000 0.830 196 D CB 2.316 43.062 40.800 -0.091 0.000 1.356 196 D HN 0.555 nan 8.370 nan 0.000 0.437 197 A N 0.543 123.590 122.820 0.378 0.000 2.597 197 A HA 0.574 4.894 4.320 -0.000 0.000 0.292 197 A C -1.899 175.897 177.584 0.354 0.000 1.057 197 A CA -0.587 51.681 52.037 0.386 0.000 0.674 197 A CB 1.109 20.276 19.000 0.278 0.000 1.278 197 A HN 0.317 nan 8.150 nan 0.000 0.416 198 I N 1.702 122.423 120.570 0.251 0.000 2.355 198 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 198 I C -0.789 175.349 176.117 0.034 0.000 0.999 198 I CA -0.367 61.026 61.300 0.155 0.000 1.163 198 I CB 0.910 39.042 38.000 0.221 0.000 1.316 198 I HN 0.599 nan 8.210 nan 0.000 0.454 199 L N 8.005 129.238 121.223 0.017 0.000 2.307 199 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 199 L C -0.696 176.168 176.870 -0.010 0.000 1.023 199 L CA -0.212 54.608 54.840 -0.033 0.000 0.810 199 L CB 1.194 43.240 42.059 -0.022 0.000 1.231 199 L HN 0.227 nan 8.230 nan 0.000 0.423 200 I N 4.730 125.284 120.570 -0.027 0.000 2.312 200 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 200 I C -0.006 176.112 176.117 0.001 0.000 1.008 200 I CA -0.587 60.712 61.300 -0.001 0.000 1.226 200 I CB 0.747 38.756 38.000 0.015 0.000 1.371 200 I HN 0.674 nan 8.210 nan 0.000 0.468 201 D N 5.646 126.077 120.400 0.052 0.000 2.478 201 D HA 0.287 4.927 4.640 -0.000 0.000 0.274 201 D C 1.059 177.518 176.300 0.265 0.000 1.234 201 D CA -0.460 53.606 54.000 0.109 0.000 1.069 201 D CB 0.747 41.607 40.800 0.099 0.000 1.113 201 D HN 0.407 nan 8.370 nan 0.000 0.571 202 A N -0.431 122.607 122.820 0.363 0.000 2.070 202 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 202 A C 1.420 179.088 177.584 0.141 0.000 1.159 202 A CA 1.024 53.257 52.037 0.326 0.000 0.656 202 A CB -0.664 18.459 19.000 0.206 0.000 0.800 202 A HN 0.551 nan 8.150 nan 0.000 0.453 203 N N -0.977 117.791 118.700 0.113 0.000 2.235 203 N HA 0.191 4.931 4.740 -0.000 0.000 0.209 203 N C 1.037 176.584 175.510 0.063 0.000 1.122 203 N CA 0.865 53.955 53.050 0.067 0.000 0.845 203 N CB 0.596 39.112 38.487 0.049 0.000 1.004 203 N HN 0.578 nan 8.380 nan 0.000 0.499 204 G N 0.509 109.360 108.800 0.085 0.000 2.162 204 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.260 204 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.260 204 G C 0.332 175.252 174.900 0.033 0.000 0.976 204 G CA 0.265 45.401 45.100 0.060 0.000 0.655 204 G HN 0.593 nan 8.290 nan 0.000 0.533 205 A N -0.141 122.702 122.820 0.039 0.000 2.477 205 A HA 0.618 4.938 4.320 -0.000 0.000 0.246 205 A C 0.530 178.119 177.584 0.009 0.000 1.078 205 A CA 0.226 52.276 52.037 0.021 0.000 0.770 205 A CB 0.243 19.260 19.000 0.028 0.000 1.011 205 A HN 0.803 nan 8.150 nan 0.000 0.494 206 I N 3.234 123.797 120.570 -0.012 0.000 2.307 206 I HA 0.261 4.430 4.170 -0.000 0.000 0.289 206 I C -0.739 175.370 176.117 -0.012 0.000 1.021 206 I CA 0.103 61.386 61.300 -0.028 0.000 1.224 206 I CB 0.645 38.602 38.000 -0.072 0.000 1.376 206 I HN 0.455 nan 8.210 nan 0.000 0.470 207 L N 6.272 127.500 121.223 0.009 0.000 2.349 207 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 207 L C -0.377 176.522 176.870 0.048 0.000 0.996 207 L CA -0.958 53.897 54.840 0.025 0.000 0.825 207 L CB 1.537 43.617 42.059 0.035 0.000 1.243 207 L HN 0.537 nan 8.230 nan 0.000 0.412 208 D N 1.912 122.342 120.400 0.049 0.000 2.478 208 D HA 0.125 4.764 4.640 -0.000 0.000 0.269 208 D C 1.053 177.384 176.300 0.051 0.000 1.232 208 D CA -0.662 53.389 54.000 0.086 0.000 1.059 208 D CB 0.742 41.600 40.800 0.096 0.000 1.104 208 D HN 0.421 nan 8.370 nan 0.000 0.566 209 R N -0.769 119.726 120.500 -0.008 0.000 2.091 209 R HA -0.236 4.104 4.340 -0.000 0.000 0.238 209 R C 2.114 178.343 176.300 -0.118 0.000 1.136 209 R CA 1.758 57.749 56.100 -0.182 0.000 0.959 209 R CB -0.250 29.664 30.300 -0.642 0.000 0.856 209 R HN 0.655 nan 8.270 nan 0.000 0.437 210 Q N -0.415 119.336 119.800 -0.083 0.000 2.124 210 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 210 Q C 1.864 177.855 176.000 -0.017 0.000 0.977 210 Q CA 1.717 57.490 55.803 -0.050 0.000 0.850 210 Q CB -0.078 28.640 28.738 -0.033 0.000 0.901 210 Q HN 0.513 nan 8.270 nan 0.000 0.429 211 A N 1.041 123.860 122.820 -0.001 0.000 1.929 211 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 211 A C 2.047 179.646 177.584 0.025 0.000 1.176 211 A CA 1.387 53.431 52.037 0.011 0.000 0.628 211 A CB -0.564 18.444 19.000 0.014 0.000 0.816 211 A HN 0.655 nan 8.150 nan 0.000 0.444 212 M N -2.031 117.592 119.600 0.039 0.000 2.419 212 M HA 0.368 4.848 4.480 -0.000 0.000 0.264 212 M C 1.025 177.362 176.300 0.062 0.000 1.082 212 M CA 0.997 56.333 55.300 0.059 0.000 1.119 212 M CB -0.517 32.135 32.600 0.088 0.000 1.398 212 M HN 0.773 nan 8.290 nan 0.000 0.453 213 G N 1.017 109.846 108.800 0.050 0.000 2.730 213 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 213 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 213 G C -0.175 174.779 174.900 0.091 0.000 1.343 213 G CA -0.187 44.941 45.100 0.047 0.000 0.826 213 G HN 0.393 nan 8.290 nan 0.000 0.582 214 E N -0.063 120.181 120.200 0.074 0.000 2.152 214 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 214 E C 1.977 178.659 176.600 0.137 0.000 0.983 214 E CA 1.296 57.771 56.400 0.125 0.000 0.818 214 E CB -0.079 29.661 29.700 0.066 0.000 0.758 214 E HN 0.560 nan 8.360 nan 0.000 0.467 215 D N 0.379 120.818 120.400 0.064 0.000 2.097 215 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 215 D C 2.106 178.469 176.300 0.104 0.000 0.989 215 D CA 0.793 54.822 54.000 0.049 0.000 0.827 215 D CB -0.058 40.743 40.800 0.001 0.000 0.966 215 D HN 0.007 nan 8.370 nan 0.000 0.456 216 V N 0.823 120.778 119.914 0.068 0.000 2.358 216 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 216 V C 2.169 178.249 176.094 -0.023 0.000 1.047 216 V CA 1.052 63.346 62.300 -0.009 0.000 1.035 216 V CB -0.546 31.302 31.823 0.041 0.000 0.658 216 V HN 0.084 nan 8.190 nan 0.000 0.452 217 F N -0.211 119.721 119.950 -0.030 0.000 2.216 217 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 217 F C 2.046 177.833 175.800 -0.023 0.000 1.085 217 F CA 1.435 59.422 58.000 -0.021 0.000 1.326 217 F CB -0.350 38.658 39.000 0.013 0.000 1.027 217 F HN 0.317 nan 8.300 nan 0.000 0.497 218 W N 0.968 122.118 121.300 -0.251 0.000 2.379 218 W HA -0.088 4.572 4.660 -0.001 0.000 0.307 218 W C 2.370 178.629 176.519 -0.434 0.000 1.200 218 W CA 2.587 59.721 57.345 -0.352 0.000 1.297 218 W CB -0.811 28.522 29.460 -0.211 0.000 1.140 218 W HN 0.018 nan 8.180 nan 0.000 0.507 219 A N 1.272 123.874 122.820 -0.364 0.000 1.940 219 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 219 A C 2.064 178.979 177.584 -1.114 0.000 1.176 219 A CA 2.313 53.784 52.037 -0.943 0.000 0.631 219 A CB -1.554 16.676 19.000 -1.282 0.000 0.814 219 A HN 0.650 nan 8.150 nan 0.000 0.446 220 I N -3.538 116.511 120.570 -0.868 0.000 2.830 220 I HA -0.028 4.142 4.170 -0.000 0.000 0.263 220 I C 1.158 177.135 176.117 -0.233 0.000 1.230 220 I CA 0.748 61.718 61.300 -0.551 0.000 1.480 220 I CB -0.231 37.614 38.000 -0.259 0.000 1.095 220 I HN 0.053 nan 8.210 nan 0.000 0.455 221 R N 2.197 122.433 120.500 -0.440 0.000 4.609 221 R HA 0.302 4.642 4.340 -0.000 0.000 0.235 221 R C 0.677 176.770 176.300 -0.344 0.000 1.836 221 R CA 0.520 56.378 56.100 -0.404 0.000 1.564 221 R CB 0.028 29.996 30.300 -0.554 0.000 1.382 221 R HN 0.698 nan 8.270 nan 0.000 0.776 222 G N -1.069 107.617 108.800 -0.189 0.000 2.318 222 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.172 222 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.172 222 G C 0.811 175.806 174.900 0.159 0.000 1.002 222 G CA -0.309 44.784 45.100 -0.012 0.000 0.697 222 G HN 0.502 nan 8.290 nan 0.000 0.483 223 G N 0.262 109.063 108.800 0.001 0.000 2.848 223 G HA2 0.549 4.509 3.960 -0.000 0.000 0.208 223 G HA3 0.549 4.509 3.960 -0.000 0.000 0.208 223 G C 1.104 176.352 174.900 0.581 0.000 1.152 223 G CA 1.436 46.605 45.100 0.115 0.000 0.789 223 G HN 1.961 nan 8.290 nan 0.000 0.531 224 G N -1.603 107.516 108.800 0.532 0.000 2.906 224 G HA2 0.442 4.402 3.960 -0.000 0.000 0.686 224 G HA3 0.442 4.402 3.960 -0.000 0.000 0.686 224 G C 0.220 175.363 174.900 0.405 0.000 1.170 224 G CA -0.388 44.975 45.100 0.439 0.000 0.775 224 G HN 0.912 nan 8.290 nan 0.000 0.630 225 G N -0.490 108.466 108.800 0.260 0.000 2.594 225 G HA2 0.654 4.614 3.960 -0.000 0.000 0.243 225 G HA3 0.654 4.614 3.960 -0.000 0.000 0.243 225 G C 1.475 176.478 174.900 0.171 0.000 1.229 225 G CA 1.367 46.596 45.100 0.215 0.000 0.843 225 G HN 2.544 nan 8.290 nan 0.000 0.578 226 G N -1.225 107.652 108.800 0.127 0.000 2.143 226 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 226 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 226 G C 0.622 175.584 174.900 0.103 0.000 0.991 226 G CA 0.584 45.784 45.100 0.167 0.000 0.689 226 G HN 1.278 nan 8.290 nan 0.000 0.522 227 V N -2.722 117.076 119.914 -0.194 0.000 3.371 227 V HA 0.241 4.361 4.120 -0.000 0.000 0.246 227 V C 1.857 177.521 176.094 -0.716 0.000 1.303 227 V CA 1.557 63.494 62.300 -0.605 0.000 1.156 227 V CB -0.266 30.885 31.823 -1.120 0.000 0.929 227 V HN 0.488 nan 8.190 nan 0.000 0.459 228 W N 0.679 121.915 121.300 -0.107 0.000 2.993 228 W HA 0.652 5.312 4.660 -0.000 0.000 0.290 228 W C 1.114 177.390 176.519 -0.405 0.000 1.203 228 W CA 0.659 57.911 57.345 -0.155 0.000 1.582 228 W CB 0.722 30.118 29.460 -0.107 0.000 1.033 228 W HN 0.335 nan 8.180 nan 0.000 0.594 229 G N 0.291 108.572 108.800 -0.866 0.000 2.346 229 G HA2 0.348 4.308 3.960 -0.000 0.000 0.294 229 G HA3 0.348 4.308 3.960 -0.000 0.000 0.294 229 G C -1.740 172.630 174.900 -0.883 0.000 1.294 229 G CA -0.685 43.580 45.100 -1.391 0.000 0.962 229 G HN 0.295 nan 8.290 nan 0.000 0.508 230 A N 0.204 122.727 122.820 -0.495 0.000 2.249 230 A HA 0.667 4.987 4.320 -0.000 0.000 0.314 230 A C 0.358 177.860 177.584 -0.138 0.000 1.290 230 A CA -0.550 51.375 52.037 -0.187 0.000 0.893 230 A CB 0.196 19.187 19.000 -0.015 0.000 1.165 230 A HN 0.836 nan 8.150 nan 0.000 0.530 231 I N 3.702 124.166 120.570 -0.177 0.000 2.598 231 I HA -0.068 4.101 4.170 -0.000 0.000 0.284 231 I C 1.061 177.061 176.117 -0.196 0.000 1.140 231 I CA 0.559 61.672 61.300 -0.311 0.000 1.420 231 I CB 0.128 37.729 38.000 -0.665 0.000 1.387 231 I HN 0.927 nan 8.210 nan 0.000 0.553 232 Y N 7.401 127.568 120.300 -0.222 0.000 2.231 232 Y HA 0.398 4.947 4.550 -0.000 0.000 0.294 232 Y C 0.687 176.504 175.900 -0.137 0.000 1.120 232 Y CA 0.629 58.643 58.100 -0.143 0.000 1.141 232 Y CB 0.442 38.838 38.460 -0.108 0.000 1.022 232 Y HN 0.574 nan 8.280 nan 0.000 0.523 233 A N -1.604 120.890 122.820 -0.543 0.000 2.606 233 A HA 0.520 4.839 4.320 -0.000 0.000 0.293 233 A C -2.129 175.381 177.584 -0.124 0.000 1.082 233 A CA -0.656 51.130 52.037 -0.418 0.000 0.685 233 A CB 0.115 18.861 19.000 -0.423 0.000 1.284 233 A HN 0.328 nan 8.150 nan 0.000 0.408 234 W N 0.890 122.249 121.300 0.098 0.000 2.573 234 W HA 0.637 5.296 4.660 -0.001 0.000 0.326 234 W C 0.330 176.705 176.519 -0.239 0.000 1.049 234 W CA -0.461 56.880 57.345 -0.006 0.000 1.220 234 W CB 1.821 31.236 29.460 -0.074 0.000 1.373 234 W HN 0.658 nan 8.180 nan 0.000 0.507 235 K N 5.079 125.271 120.400 -0.347 0.000 2.293 235 K HA 0.477 4.797 4.320 -0.000 0.000 0.267 235 K C -0.634 175.742 176.600 -0.374 0.000 1.010 235 K CA -0.446 55.320 56.287 -0.869 0.000 0.875 235 K CB 0.427 31.969 32.500 -1.596 0.000 1.106 235 K HN 0.612 nan 8.250 nan 0.000 0.450 236 I N 0.355 120.713 120.570 -0.354 0.000 2.648 236 I HA 0.520 4.690 4.170 -0.000 0.000 0.304 236 I C -0.737 175.257 176.117 -0.206 0.000 1.009 236 I CA -1.223 59.916 61.300 -0.270 0.000 1.114 236 I CB 1.687 39.318 38.000 -0.616 0.000 1.293 236 I HN 0.288 nan 8.210 nan 0.000 0.449 237 K N 5.257 125.625 120.400 -0.053 0.000 2.258 237 K HA 0.496 4.816 4.320 -0.000 0.000 0.284 237 K C -0.946 175.650 176.600 -0.006 0.000 1.051 237 K CA -0.232 56.029 56.287 -0.044 0.000 0.923 237 K CB 0.553 33.044 32.500 -0.015 0.000 1.046 237 K HN 0.689 nan 8.250 nan 0.000 0.474 238 L N 5.244 126.420 121.223 -0.079 0.000 2.417 238 L HA 0.363 4.703 4.340 -0.000 0.000 0.268 238 L C -0.127 176.638 176.870 -0.176 0.000 1.158 238 L CA -0.627 54.159 54.840 -0.091 0.000 0.819 238 L CB 0.389 42.372 42.059 -0.126 0.000 1.112 238 L HN 0.464 nan 8.230 nan 0.000 0.458 239 L N 2.838 123.887 121.223 -0.289 0.000 2.362 239 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 239 L C -2.388 174.260 176.870 -0.370 0.000 1.002 239 L CA -2.131 52.414 54.840 -0.490 0.000 0.818 239 L CB 2.000 43.455 42.059 -1.007 0.000 1.298 239 L HN 0.307 nan 8.230 nan 0.000 0.420 240 P HA 0.142 nan 4.420 nan 0.000 0.271 240 P C -1.073 176.230 177.300 0.005 0.000 1.216 240 P CA -0.204 62.844 63.100 -0.087 0.000 0.771 240 P CB 0.965 32.654 31.700 -0.017 0.000 0.864 241 V N 0.657 120.553 119.914 -0.030 0.000 3.007 241 V HA 0.737 4.856 4.120 -0.000 0.000 0.311 241 V C -2.778 173.353 176.094 0.061 0.000 1.120 241 V CA -3.052 59.298 62.300 0.084 0.000 0.980 241 V CB 1.763 33.546 31.823 -0.066 0.000 1.033 241 V HN 0.254 nan 8.190 nan 0.000 0.429 242 P HA 0.347 nan 4.420 nan 0.000 0.274 242 P C 0.559 177.876 177.300 0.028 0.000 1.246 242 P CA -0.200 62.922 63.100 0.036 0.000 0.795 242 P CB 0.677 32.383 31.700 0.010 0.000 1.006 243 E N 0.122 120.329 120.200 0.012 0.000 2.204 243 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 243 E C -0.075 176.531 176.600 0.009 0.000 0.990 243 E CA 1.237 57.647 56.400 0.015 0.000 0.821 243 E CB -0.008 29.695 29.700 0.006 0.000 0.750 243 E HN 0.446 nan 8.360 nan 0.000 0.477 244 K N 0.721 121.113 120.400 -0.013 0.000 2.426 244 K HA 0.314 4.633 4.320 -0.000 0.000 0.254 244 K C -0.637 175.909 176.600 -0.091 0.000 0.936 244 K CA -0.481 55.783 56.287 -0.039 0.000 0.801 244 K CB 2.703 35.182 32.500 -0.034 0.000 1.139 244 K HN -0.138 nan 8.250 nan 0.000 0.424 245 V N -1.225 118.604 119.914 -0.142 0.000 3.103 245 V HA 0.675 4.795 4.120 -0.000 0.000 0.318 245 V C -0.437 175.490 176.094 -0.279 0.000 1.114 245 V CA -0.645 61.467 62.300 -0.314 0.000 1.020 245 V CB 2.005 33.528 31.823 -0.501 0.000 1.085 245 V HN 0.652 nan 8.190 nan 0.000 0.446 246 T N 1.822 116.166 114.554 -0.350 0.000 2.824 246 T HA 0.757 5.107 4.350 -0.000 0.000 0.282 246 T C -0.427 174.152 174.700 -0.202 0.000 0.993 246 T CA -0.315 61.705 62.100 -0.134 0.000 0.967 246 T CB 1.388 70.325 68.868 0.115 0.000 0.960 246 T HN 1.387 nan 8.240 nan 0.000 0.441 247 V N 0.590 120.431 119.914 -0.123 0.000 3.040 247 V HA 1.010 5.129 4.120 -0.000 0.000 0.312 247 V C -1.348 174.718 176.094 -0.046 0.000 1.115 247 V CA -1.460 60.757 62.300 -0.139 0.000 0.998 247 V CB 1.721 33.514 31.823 -0.050 0.000 1.042 247 V HN 0.848 nan 8.190 nan 0.000 0.433 248 F N -0.490 119.442 119.950 -0.030 0.000 2.613 248 F HA 0.895 5.422 4.527 -0.001 0.000 0.310 248 F C -0.585 175.228 175.800 0.020 0.000 1.085 248 F CA -1.305 56.652 58.000 -0.071 0.000 0.945 248 F CB 2.170 40.944 39.000 -0.377 0.000 1.298 248 F HN 0.756 nan 8.300 nan 0.000 0.455 249 R N 2.586 123.276 120.500 0.316 0.000 2.575 249 R HA 0.707 5.047 4.340 -0.000 0.000 0.292 249 R C -2.522 173.823 176.300 0.074 0.000 1.246 249 R CA -0.467 55.701 56.100 0.112 0.000 0.973 249 R CB 1.722 31.968 30.300 -0.091 0.000 1.187 249 R HN 0.757 nan 8.270 nan 0.000 0.478 250 V N 3.169 123.120 119.914 0.062 0.000 2.483 250 V HA 0.389 4.508 4.120 -0.000 0.000 0.297 250 V C -0.225 175.850 176.094 -0.032 0.000 1.027 250 V CA -0.708 61.580 62.300 -0.021 0.000 0.855 250 V CB 2.190 33.945 31.823 -0.113 0.000 0.995 250 V HN 0.664 nan 8.190 nan 0.000 0.424 251 T N 5.539 120.074 114.554 -0.032 0.000 2.744 251 T HA 0.386 4.736 4.350 -0.000 0.000 0.291 251 T C -0.149 174.548 174.700 -0.005 0.000 0.957 251 T CA -0.669 61.432 62.100 0.003 0.000 1.002 251 T CB 0.606 69.470 68.868 -0.008 0.000 0.919 251 T HN 0.387 nan 8.240 nan 0.000 0.468 252 K N 3.971 124.374 120.400 0.004 0.000 2.211 252 K HA 0.316 4.636 4.320 -0.000 0.000 0.275 252 K C -0.180 176.442 176.600 0.037 0.000 1.024 252 K CA -0.591 55.689 56.287 -0.012 0.000 0.887 252 K CB 0.858 33.328 32.500 -0.050 0.000 1.084 252 K HN 0.467 nan 8.250 nan 0.000 0.463 253 N N 2.599 121.316 118.700 0.028 0.000 2.457 253 N HA 0.253 4.992 4.740 -0.000 0.000 0.250 253 N C -0.127 175.398 175.510 0.026 0.000 0.982 253 N CA -0.264 52.816 53.050 0.050 0.000 0.941 253 N CB 1.534 40.046 38.487 0.041 0.000 1.120 253 N HN 0.357 nan 8.380 nan 0.000 0.505 254 V N -1.184 118.745 119.914 0.025 0.000 3.156 254 V HA 0.955 5.075 4.120 -0.000 0.000 0.310 254 V C -0.181 175.918 176.094 0.008 0.000 1.234 254 V CA -1.116 61.190 62.300 0.010 0.000 1.065 254 V CB 1.269 33.090 31.823 -0.003 0.000 1.088 254 V HN 0.510 nan 8.190 nan 0.000 0.451 255 A N -0.064 122.761 122.820 0.008 0.000 2.256 255 A HA 0.750 5.070 4.320 -0.000 0.000 0.318 255 A C 0.917 178.496 177.584 -0.008 0.000 1.103 255 A CA -0.173 51.866 52.037 0.005 0.000 0.860 255 A CB 0.864 19.875 19.000 0.019 0.000 1.182 255 A HN 1.277 nan 8.150 nan 0.000 0.501 256 I N -0.541 120.013 120.570 -0.027 0.000 2.286 256 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 256 I C 1.279 177.400 176.117 0.007 0.000 1.115 256 I CA 1.822 63.073 61.300 -0.081 0.000 1.392 256 I CB -0.056 37.812 38.000 -0.219 0.000 1.065 256 I HN 0.686 nan 8.210 nan 0.000 0.418 257 D N 0.422 120.874 120.400 0.088 0.000 2.097 257 D HA -0.262 4.377 4.640 -0.000 0.000 0.195 257 D C 1.947 178.309 176.300 0.104 0.000 0.989 257 D CA 1.467 55.555 54.000 0.147 0.000 0.827 257 D CB -0.267 40.612 40.800 0.132 0.000 0.966 257 D HN 0.531 nan 8.370 nan 0.000 0.456 258 E N 0.657 120.896 120.200 0.066 0.000 2.072 258 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 258 E C 2.030 178.658 176.600 0.046 0.000 0.985 258 E CA 0.924 57.358 56.400 0.057 0.000 0.801 258 E CB 0.036 29.758 29.700 0.037 0.000 0.750 258 E HN 0.144 nan 8.360 nan 0.000 0.452 259 A N 0.282 123.111 122.820 0.015 0.000 1.902 259 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 259 A C 2.369 179.952 177.584 -0.003 0.000 1.181 259 A CA 2.049 54.074 52.037 -0.021 0.000 0.623 259 A CB -0.951 18.011 19.000 -0.064 0.000 0.818 259 A HN 0.334 nan 8.150 nan 0.000 0.443 260 T N -0.680 113.907 114.554 0.055 0.000 2.746 260 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 260 T C 2.275 177.060 174.700 0.142 0.000 1.039 260 T CA 1.696 63.874 62.100 0.130 0.000 1.142 260 T CB -0.343 68.678 68.868 0.256 0.000 0.866 260 T HN 0.529 nan 8.240 nan 0.000 0.444 261 S N 0.546 116.333 115.700 0.144 0.000 2.368 261 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 261 S C 2.013 176.739 174.600 0.210 0.000 1.030 261 S CA 0.821 59.127 58.200 0.178 0.000 0.999 261 S CB -0.476 62.813 63.200 0.149 0.000 0.844 261 S HN 0.396 nan 8.310 nan 0.000 0.459 262 L N 0.811 122.136 121.223 0.169 0.000 2.017 262 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 262 L C 2.445 179.453 176.870 0.230 0.000 1.073 262 L CA 1.196 56.187 54.840 0.251 0.000 0.745 262 L CB -0.487 41.636 42.059 0.107 0.000 0.894 262 L HN 0.342 nan 8.230 nan 0.000 0.432 263 L N -1.300 119.890 121.223 -0.056 0.000 2.093 263 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 263 L C 2.712 179.319 176.870 -0.437 0.000 1.085 263 L CA 1.078 55.669 54.840 -0.415 0.000 0.755 263 L CB -0.843 40.617 42.059 -0.998 0.000 0.904 263 L HN 0.412 nan 8.230 nan 0.000 0.435 264 H N 0.962 119.893 119.070 -0.232 0.000 2.387 264 H HA -0.212 4.344 4.556 -0.000 0.000 0.299 264 H C 2.270 177.702 175.328 0.174 0.000 1.090 264 H CA 1.954 58.068 56.048 0.109 0.000 1.332 264 H CB 0.360 30.280 29.762 0.263 0.000 1.386 264 H HN 0.244 nan 8.280 nan 0.000 0.516 265 K N -0.086 120.405 120.400 0.151 0.000 2.103 265 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 265 K C 2.284 178.773 176.600 -0.185 0.000 1.052 265 K CA 1.097 57.400 56.287 0.026 0.000 0.945 265 K CB -0.427 32.031 32.500 -0.070 0.000 0.722 265 K HN 0.268 nan 8.250 nan 0.000 0.443 266 W N 2.863 124.051 121.300 -0.187 0.000 2.305 266 W HA -0.332 4.328 4.660 -0.001 0.000 0.308 266 W C 1.986 178.432 176.519 -0.123 0.000 1.226 266 W CA 2.621 59.928 57.345 -0.064 0.000 1.253 266 W CB -0.343 29.192 29.460 0.126 0.000 1.146 266 W HN 0.317 nan 8.180 nan 0.000 0.507 267 Q N -1.492 118.007 119.800 -0.502 0.000 2.170 267 Q HA -0.222 4.117 4.340 -0.000 0.000 0.203 267 Q C 1.908 177.381 176.000 -0.878 0.000 0.976 267 Q CA 1.852 57.086 55.803 -0.948 0.000 0.858 267 Q CB -1.236 27.174 28.738 -0.546 0.000 0.907 267 Q HN 0.377 nan 8.270 nan 0.000 0.433 268 F N 0.907 120.613 119.950 -0.407 0.000 2.149 268 F HA -0.029 4.498 4.527 -0.000 0.000 0.294 268 F C 2.380 177.985 175.800 -0.326 0.000 1.095 268 F CA 0.497 58.307 58.000 -0.316 0.000 1.276 268 F CB -0.602 38.241 39.000 -0.261 0.000 1.023 268 F HN -0.128 nan 8.300 nan 0.000 0.480 269 V N 0.307 120.082 119.914 -0.230 0.000 2.332 269 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 269 V C 2.599 178.583 176.094 -0.185 0.000 1.055 269 V CA 1.910 64.084 62.300 -0.211 0.000 1.038 269 V CB -1.451 30.214 31.823 -0.264 0.000 0.651 269 V HN 0.358 nan 8.190 nan 0.000 0.450 270 A N -0.989 121.577 122.820 -0.423 0.000 1.898 270 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 270 A C 2.323 179.807 177.584 -0.166 0.000 1.181 270 A CA 1.626 53.458 52.037 -0.343 0.000 0.620 270 A CB -0.405 18.057 19.000 -0.896 0.000 0.819 270 A HN 0.499 nan 8.150 nan 0.000 0.442 271 E N -0.260 119.803 120.200 -0.228 0.000 2.152 271 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 271 E C 1.350 177.940 176.600 -0.016 0.000 0.983 271 E CA 1.072 57.422 56.400 -0.084 0.000 0.818 271 E CB 0.034 29.668 29.700 -0.110 0.000 0.758 271 E HN 0.761 nan 8.360 nan 0.000 0.467 272 E N -0.231 119.947 120.200 -0.037 0.000 2.476 272 E HA 0.146 4.496 4.350 -0.000 0.000 0.199 272 E C 0.213 176.802 176.600 -0.019 0.000 1.021 272 E CA -0.314 56.076 56.400 -0.016 0.000 0.907 272 E CB 0.514 30.202 29.700 -0.021 0.000 0.974 272 E HN 0.092 nan 8.360 nan 0.000 0.489 273 L N 2.353 123.569 121.223 -0.012 0.000 2.506 273 L HA -0.042 4.298 4.340 -0.000 0.000 0.281 273 L C 0.985 177.892 176.870 0.062 0.000 1.228 273 L CA 0.096 54.925 54.840 -0.019 0.000 0.850 273 L CB 0.405 42.496 42.059 0.053 0.000 1.110 273 L HN 0.116 nan 8.230 nan 0.000 0.496 274 E N 1.951 122.198 120.200 0.079 0.000 2.425 274 E HA -0.107 4.243 4.350 -0.000 0.000 0.258 274 E C 0.904 177.646 176.600 0.236 0.000 1.151 274 E CA 0.107 56.599 56.400 0.153 0.000 0.958 274 E CB 0.391 30.207 29.700 0.193 0.000 0.968 274 E HN 0.645 nan 8.360 nan 0.000 0.451 275 E N 0.584 120.862 120.200 0.130 0.000 2.338 275 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 275 E C 0.167 176.840 176.600 0.121 0.000 1.007 275 E CA 0.886 57.332 56.400 0.077 0.000 0.849 275 E CB 0.083 29.745 29.700 -0.064 0.000 0.774 275 E HN 0.230 nan 8.360 nan 0.000 0.506 276 D N -0.162 120.349 120.400 0.185 0.000 2.363 276 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 276 D C -0.768 175.728 176.300 0.327 0.000 1.020 276 D CA 0.472 54.609 54.000 0.228 0.000 0.892 276 D CB -0.048 40.812 40.800 0.100 0.000 0.900 276 D HN 0.138 nan 8.370 nan 0.000 0.531 277 F N -0.692 119.509 119.950 0.417 0.000 2.563 277 F HA 0.397 4.924 4.527 -0.000 0.000 0.316 277 F C 0.363 176.391 175.800 0.380 0.000 1.076 277 F CA -0.731 57.524 58.000 0.425 0.000 0.921 277 F CB 2.256 41.409 39.000 0.256 0.000 1.209 277 F HN -0.493 nan 8.300 nan 0.000 0.462 278 T N 3.577 118.486 114.554 0.591 0.000 2.881 278 T HA 0.546 4.895 4.350 -0.000 0.000 0.290 278 T C -1.759 173.213 174.700 0.453 0.000 1.000 278 T CA -0.449 61.916 62.100 0.441 0.000 0.978 278 T CB 1.565 70.608 68.868 0.291 0.000 0.997 278 T HN 0.402 nan 8.240 nan 0.000 0.443 279 L N 3.224 124.738 121.223 0.485 0.000 2.372 279 L HA 0.781 5.121 4.340 -0.000 0.000 0.274 279 L C -0.628 176.608 176.870 0.609 0.000 0.988 279 L CA 0.114 55.255 54.840 0.501 0.000 0.833 279 L CB 1.441 43.904 42.059 0.674 0.000 1.236 279 L HN 0.617 nan 8.230 nan 0.000 0.410 280 S N 2.838 118.748 115.700 0.351 0.000 2.677 280 S HA 0.919 5.389 4.470 -0.000 0.000 0.304 280 S C -1.159 173.413 174.600 -0.045 0.000 1.108 280 S CA -0.654 57.695 58.200 0.248 0.000 0.944 280 S CB 2.268 65.572 63.200 0.173 0.000 1.127 280 S HN 0.400 nan 8.310 nan 0.000 0.511 281 V N 1.706 121.474 119.914 -0.243 0.000 2.760 281 V HA 0.512 4.632 4.120 -0.000 0.000 0.309 281 V C -1.157 174.813 176.094 -0.206 0.000 1.077 281 V CA -0.618 61.482 62.300 -0.333 0.000 0.910 281 V CB 1.590 33.007 31.823 -0.677 0.000 1.008 281 V HN 0.687 nan 8.190 nan 0.000 0.424 282 L N 3.272 124.428 121.223 -0.112 0.000 2.329 282 L HA 0.962 5.302 4.340 -0.000 0.000 0.279 282 L C 0.491 177.277 176.870 -0.141 0.000 1.014 282 L CA -0.201 54.640 54.840 0.000 0.000 0.814 282 L CB 2.052 44.181 42.059 0.116 0.000 1.257 282 L HN 0.844 nan 8.230 nan 0.000 0.424 283 G N 0.762 109.354 108.800 -0.346 0.000 2.659 283 G HA2 0.782 4.742 3.960 -0.000 0.000 0.296 283 G HA3 0.782 4.742 3.960 -0.000 0.000 0.296 283 G C -1.135 173.072 174.900 -1.156 0.000 1.369 283 G CA -0.294 44.284 45.100 -0.870 0.000 0.937 283 G HN 0.854 nan 8.290 nan 0.000 0.485 284 G N -1.389 106.315 108.800 -1.826 0.000 2.548 284 G HA2 0.976 4.936 3.960 -0.000 0.000 0.301 284 G HA3 0.976 4.936 3.960 -0.000 0.000 0.301 284 G C -1.150 173.251 174.900 -0.833 0.000 1.349 284 G CA 0.346 44.830 45.100 -1.027 0.000 0.792 284 G HN 1.963 nan 8.290 nan 0.000 0.481 285 A N -0.851 121.864 122.820 -0.176 0.000 2.564 285 A HA 0.786 5.106 4.320 -0.000 0.000 0.291 285 A C -2.322 175.320 177.584 0.097 0.000 1.102 285 A CA -0.230 51.797 52.037 -0.017 0.000 0.660 285 A CB 2.195 21.152 19.000 -0.072 0.000 1.283 285 A HN 0.995 nan 8.150 nan 0.000 0.430 286 D N 0.201 120.651 120.400 0.083 0.000 2.354 286 D HA 0.403 5.043 4.640 -0.000 0.000 0.230 286 D C 0.314 176.639 176.300 0.041 0.000 1.361 286 D CA 0.355 54.394 54.000 0.065 0.000 0.992 286 D CB 0.341 41.191 40.800 0.084 0.000 1.409 286 D HN 0.670 nan 8.370 nan 0.000 0.573 287 E N 1.594 121.810 120.200 0.026 0.000 3.289 287 E HA -0.353 3.997 4.350 -0.000 0.000 0.386 287 E C 0.625 177.232 176.600 0.012 0.000 1.526 287 E CA 1.548 57.959 56.400 0.019 0.000 1.519 287 E CB -0.515 29.197 29.700 0.020 0.000 1.657 287 E HN 0.456 nan 8.360 nan 0.000 0.479 288 K N 1.341 121.750 120.400 0.016 0.000 2.365 288 K HA -0.017 4.302 4.320 -0.000 0.000 0.199 288 K C 0.597 177.205 176.600 0.014 0.000 1.045 288 K CA 0.726 57.021 56.287 0.012 0.000 0.962 288 K CB -0.047 32.463 32.500 0.016 0.000 0.759 288 K HN 0.231 nan 8.250 nan 0.000 0.469 289 Q N 1.286 121.104 119.800 0.029 0.000 2.314 289 Q HA 0.308 4.648 4.340 -0.000 0.000 0.259 289 Q C -1.059 174.975 176.000 0.058 0.000 0.951 289 Q CA -0.529 55.302 55.803 0.046 0.000 0.909 289 Q CB 2.264 31.040 28.738 0.063 0.000 1.236 289 Q HN -0.116 nan 8.270 nan 0.000 0.444 290 V N 3.655 123.590 119.914 0.034 0.000 2.513 290 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 290 V C -0.535 175.594 176.094 0.059 0.000 1.035 290 V CA -0.824 61.464 62.300 -0.020 0.000 0.889 290 V CB 1.099 32.873 31.823 -0.082 0.000 0.988 290 V HN 0.727 nan 8.190 nan 0.000 0.440 291 W N 4.794 126.073 121.300 -0.035 0.000 2.632 291 W HA 0.823 5.483 4.660 -0.000 0.000 0.328 291 W C -2.004 174.478 176.519 -0.061 0.000 1.044 291 W CA -1.264 56.049 57.345 -0.052 0.000 1.225 291 W CB 1.223 30.647 29.460 -0.060 0.000 1.396 291 W HN 0.347 nan 8.180 nan 0.000 0.499 292 L N 3.996 125.280 121.223 0.101 0.000 2.372 292 L HA 0.312 4.651 4.340 -0.000 0.000 0.274 292 L C -0.145 176.774 176.870 0.082 0.000 0.988 292 L CA -0.483 54.338 54.840 -0.032 0.000 0.833 292 L CB 2.304 44.291 42.059 -0.120 0.000 1.236 292 L HN 0.357 nan 8.230 nan 0.000 0.410 293 T N 4.395 119.032 114.554 0.138 0.000 2.733 293 T HA 0.453 4.803 4.350 -0.000 0.000 0.294 293 T C 0.138 174.827 174.700 -0.019 0.000 0.956 293 T CA -0.505 61.642 62.100 0.079 0.000 0.987 293 T CB 0.702 69.635 68.868 0.108 0.000 0.920 293 T HN 0.245 nan 8.240 nan 0.000 0.470 294 M N 4.614 124.206 119.600 -0.012 0.000 2.108 294 M HA 0.392 4.871 4.480 -0.000 0.000 0.354 294 M C -0.577 175.777 176.300 0.089 0.000 1.229 294 M CA -0.590 54.727 55.300 0.029 0.000 1.081 294 M CB 0.338 32.962 32.600 0.040 0.000 1.606 294 M HN 0.420 nan 8.290 nan 0.000 0.467 295 L N 2.863 124.075 121.223 -0.018 0.000 2.298 295 L HA 0.776 5.115 4.340 -0.000 0.000 0.284 295 L C 0.579 177.251 176.870 -0.329 0.000 1.013 295 L CA -0.563 54.183 54.840 -0.157 0.000 0.824 295 L CB 1.719 43.675 42.059 -0.172 0.000 1.221 295 L HN 0.816 nan 8.230 nan 0.000 0.418 296 G N 2.273 110.514 108.800 -0.931 0.000 2.495 296 G HA2 0.665 4.625 3.960 -0.000 0.000 0.318 296 G HA3 0.665 4.625 3.960 -0.000 0.000 0.318 296 G C -1.920 172.695 174.900 -0.475 0.000 1.257 296 G CA -0.341 44.060 45.100 -1.165 0.000 0.962 296 G HN 0.345 nan 8.290 nan 0.000 0.483 297 F N 1.790 121.627 119.950 -0.189 0.000 2.557 297 F HA 0.603 5.130 4.527 -0.000 0.000 0.316 297 F C -1.015 174.818 175.800 0.056 0.000 1.141 297 F CA -0.927 57.024 58.000 -0.083 0.000 0.922 297 F CB 2.314 41.261 39.000 -0.089 0.000 1.194 297 F HN 0.615 nan 8.300 nan 0.000 0.443 298 H N 5.227 123.939 119.070 -0.598 0.000 2.589 298 H HA 0.377 4.933 4.556 -0.000 0.000 0.351 298 H C -1.388 173.498 175.328 -0.737 0.000 1.074 298 H CA -1.171 54.538 56.048 -0.565 0.000 1.203 298 H CB 0.988 30.485 29.762 -0.442 0.000 1.558 298 H HN 0.536 nan 8.280 nan 0.000 0.522 299 F N 4.980 124.407 119.950 -0.871 0.000 2.662 299 F HA 0.418 4.945 4.527 -0.000 0.000 0.365 299 F C 1.220 176.464 175.800 -0.926 0.000 1.222 299 F CA 1.336 58.951 58.000 -0.642 0.000 1.315 299 F CB -0.257 38.572 39.000 -0.285 0.000 1.711 299 F HN 0.781 nan 8.300 nan 0.000 0.651 300 G N 0.146 108.469 108.800 -0.796 0.000 2.333 300 G HA2 0.298 4.258 3.960 -0.000 0.000 0.288 300 G HA3 0.298 4.258 3.960 -0.000 0.000 0.288 300 G C -1.456 173.356 174.900 -0.148 0.000 1.286 300 G CA -1.179 43.627 45.100 -0.489 0.000 0.865 300 G HN 0.102 nan 8.290 nan 0.000 0.506 301 L N 0.573 121.831 121.223 0.059 0.000 2.439 301 L HA 0.400 4.740 4.340 -0.000 0.000 0.259 301 L C 2.111 179.066 176.870 0.142 0.000 1.129 301 L CA -0.559 54.327 54.840 0.076 0.000 0.803 301 L CB 1.339 43.429 42.059 0.052 0.000 1.161 301 L HN 0.935 nan 8.230 nan 0.000 0.462 302 K N -1.009 119.440 120.400 0.081 0.000 2.228 302 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 302 K C 1.382 177.958 176.600 -0.040 0.000 1.051 302 K CA 1.196 57.525 56.287 0.070 0.000 0.960 302 K CB -0.245 32.301 32.500 0.077 0.000 0.743 302 K HN 0.580 nan 8.250 nan 0.000 0.458 303 T N 1.417 115.959 114.554 -0.019 0.000 2.746 303 T HA -0.082 4.267 4.350 -0.000 0.000 0.267 303 T C 1.999 176.676 174.700 -0.037 0.000 1.039 303 T CA 1.490 63.561 62.100 -0.048 0.000 1.142 303 T CB -0.175 68.682 68.868 -0.019 0.000 0.866 303 T HN 0.046 nan 8.240 nan 0.000 0.444 304 V N 1.614 121.541 119.914 0.022 0.000 2.358 304 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 304 V C 2.874 178.971 176.094 0.004 0.000 1.047 304 V CA 1.509 63.829 62.300 0.034 0.000 1.035 304 V CB -1.222 30.672 31.823 0.119 0.000 0.658 304 V HN 0.507 nan 8.190 nan 0.000 0.452 305 A N 0.144 122.978 122.820 0.023 0.000 1.883 305 A HA -0.292 4.027 4.320 -0.000 0.000 0.217 305 A C 2.350 180.066 177.584 0.220 0.000 1.186 305 A CA 2.382 54.541 52.037 0.204 0.000 0.624 305 A CB -0.511 18.748 19.000 0.431 0.000 0.822 305 A HN 0.520 nan 8.150 nan 0.000 0.444 306 K N -0.573 119.694 120.400 -0.222 0.000 2.097 306 K HA -0.102 4.217 4.320 -0.000 0.000 0.205 306 K C 2.314 178.859 176.600 -0.093 0.000 1.050 306 K CA 1.395 57.409 56.287 -0.455 0.000 0.938 306 K CB -0.218 31.749 32.500 -0.888 0.000 0.718 306 K HN 0.403 nan 8.250 nan 0.000 0.442 307 S N -0.210 115.438 115.700 -0.087 0.000 2.370 307 S HA -0.139 4.330 4.470 -0.000 0.000 0.226 307 S C 1.715 176.272 174.600 -0.070 0.000 1.033 307 S CA 2.035 60.201 58.200 -0.057 0.000 1.011 307 S CB -0.425 62.746 63.200 -0.049 0.000 0.852 307 S HN 0.476 nan 8.310 nan 0.000 0.457 308 T N 1.214 115.683 114.554 -0.142 0.000 2.708 308 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 308 T C 1.315 175.822 174.700 -0.322 0.000 1.037 308 T CA 1.605 63.490 62.100 -0.359 0.000 1.146 308 T CB -0.486 67.912 68.868 -0.783 0.000 0.865 308 T HN 0.453 nan 8.240 nan 0.000 0.435 309 F N 1.609 121.585 119.950 0.042 0.000 2.325 309 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 309 F C 2.210 178.073 175.800 0.105 0.000 1.090 309 F CA 0.373 58.454 58.000 0.134 0.000 1.392 309 F CB -0.556 38.595 39.000 0.253 0.000 1.053 309 F HN 0.071 nan 8.300 nan 0.000 0.521 310 D N 0.213 120.731 120.400 0.196 0.000 2.144 310 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 310 D C 2.404 178.756 176.300 0.086 0.000 0.984 310 D CA 1.168 55.237 54.000 0.115 0.000 0.834 310 D CB -0.298 40.531 40.800 0.049 0.000 0.955 310 D HN 0.239 nan 8.370 nan 0.000 0.465 311 L N -0.349 120.899 121.223 0.040 0.000 2.102 311 L HA 0.015 4.355 4.340 -0.000 0.000 0.202 311 L C 2.284 179.172 176.870 0.029 0.000 1.076 311 L CA 0.536 55.383 54.840 0.011 0.000 0.761 311 L CB -0.072 41.962 42.059 -0.040 0.000 0.921 311 L HN 0.006 nan 8.230 nan 0.000 0.444 312 L N -2.049 119.191 121.223 0.027 0.000 2.375 312 L HA 0.019 4.358 4.340 -0.000 0.000 0.215 312 L C 0.338 177.321 176.870 0.189 0.000 1.108 312 L CA 0.292 55.152 54.840 0.034 0.000 0.830 312 L CB 0.331 42.344 42.059 -0.076 0.000 0.959 312 L HN 0.155 nan 8.230 nan 0.000 0.457 313 F N 0.863 120.894 119.950 0.134 0.000 2.599 313 F HA 0.330 4.857 4.527 -0.001 0.000 0.367 313 F C -2.079 173.804 175.800 0.138 0.000 1.517 313 F CA -2.697 55.406 58.000 0.173 0.000 1.090 313 F CB 0.421 39.595 39.000 0.291 0.000 1.758 313 F HN -0.159 nan 8.300 nan 0.000 0.550 314 P HA -0.125 nan 4.420 nan 0.000 0.225 314 P C 0.805 178.162 177.300 0.095 0.000 1.148 314 P CA 1.160 64.353 63.100 0.155 0.000 0.779 314 P CB 0.390 32.162 31.700 0.120 0.000 0.780 315 E N -0.064 120.241 120.200 0.175 0.000 2.333 315 E HA -0.067 4.282 4.350 -0.000 0.000 0.198 315 E C 1.994 178.525 176.600 -0.115 0.000 1.007 315 E CA 0.571 57.027 56.400 0.093 0.000 0.845 315 E CB -0.878 28.976 29.700 0.256 0.000 0.766 315 E HN 0.288 nan 8.360 nan 0.000 0.507 316 L N -0.651 120.365 121.223 -0.345 0.000 2.275 316 L HA -0.011 4.329 4.340 -0.000 0.000 0.215 316 L C 1.453 178.169 176.870 -0.257 0.000 1.119 316 L CA 0.654 55.217 54.840 -0.461 0.000 0.790 316 L CB -0.555 41.105 42.059 -0.665 0.000 0.919 316 L HN 0.370 nan 8.230 nan 0.000 0.443 317 G N 0.881 109.589 108.800 -0.154 0.000 2.249 317 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.273 317 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.273 317 G C 0.174 175.002 174.900 -0.120 0.000 1.036 317 G CA -0.090 44.951 45.100 -0.099 0.000 0.824 317 G HN 0.252 nan 8.290 nan 0.000 0.504 318 L N -0.269 120.857 121.223 -0.162 0.000 2.426 318 L HA 0.551 4.890 4.340 -0.000 0.000 0.271 318 L C 1.210 178.076 176.870 -0.006 0.000 1.169 318 L CA -0.660 54.072 54.840 -0.181 0.000 0.836 318 L CB 0.952 42.779 42.059 -0.388 0.000 1.112 318 L HN 0.236 nan 8.230 nan 0.000 0.465 319 V N -0.391 119.530 119.914 0.012 0.000 3.096 319 V HA 0.357 4.476 4.120 -0.000 0.000 0.319 319 V C 0.869 177.061 176.094 0.164 0.000 1.103 319 V CA -0.697 61.643 62.300 0.068 0.000 1.016 319 V CB 1.662 33.499 31.823 0.022 0.000 1.090 319 V HN 0.792 nan 8.190 nan 0.000 0.449 320 E N -0.013 120.256 120.200 0.116 0.000 2.097 320 E HA -0.225 4.124 4.350 -0.000 0.000 0.196 320 E C 1.755 178.457 176.600 0.171 0.000 1.000 320 E CA 2.140 58.615 56.400 0.125 0.000 0.804 320 E CB 0.087 29.812 29.700 0.042 0.000 0.740 320 E HN 0.904 nan 8.360 nan 0.000 0.454 321 E N 0.557 120.818 120.200 0.102 0.000 2.409 321 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 321 E C 1.186 177.830 176.600 0.074 0.000 1.024 321 E CA 0.629 57.074 56.400 0.075 0.000 0.861 321 E CB 0.021 29.745 29.700 0.040 0.000 0.788 321 E HN 0.228 nan 8.360 nan 0.000 0.521 322 D N -0.564 119.878 120.400 0.069 0.000 2.224 322 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 322 D C -0.173 176.110 176.300 -0.027 0.000 0.965 322 D CA 0.692 54.669 54.000 -0.038 0.000 0.852 322 D CB 0.017 40.673 40.800 -0.240 0.000 0.947 322 D HN 0.276 nan 8.370 nan 0.000 0.494 323 Y N 0.353 120.683 120.300 0.052 0.000 2.350 323 Y HA 0.317 4.867 4.550 -0.000 0.000 0.340 323 Y C 0.012 175.928 175.900 0.026 0.000 1.006 323 Y CA -0.769 57.396 58.100 0.109 0.000 1.166 323 Y CB 0.766 39.298 38.460 0.120 0.000 1.168 323 Y HN -0.280 nan 8.280 nan 0.000 0.502 324 L N 3.974 125.244 121.223 0.079 0.000 2.333 324 L HA 0.378 4.718 4.340 -0.000 0.000 0.280 324 L C -0.285 176.544 176.870 -0.068 0.000 1.004 324 L CA -0.605 54.197 54.840 -0.064 0.000 0.820 324 L CB 1.617 43.503 42.059 -0.288 0.000 1.247 324 L HN 0.544 nan 8.230 nan 0.000 0.416 325 E N 5.115 125.288 120.200 -0.045 0.000 2.197 325 E HA 0.725 5.075 4.350 -0.000 0.000 0.281 325 E C -0.596 175.957 176.600 -0.078 0.000 0.995 325 E CA -0.312 56.056 56.400 -0.052 0.000 0.808 325 E CB 1.548 31.237 29.700 -0.020 0.000 1.093 325 E HN 0.607 nan 8.360 nan 0.000 0.394 326 M N -0.651 118.895 119.600 -0.089 0.000 3.084 326 M HA 0.405 4.885 4.480 -0.000 0.000 0.273 326 M C -0.591 175.678 176.300 -0.051 0.000 1.242 326 M CA -1.077 54.178 55.300 -0.074 0.000 0.819 326 M CB 1.385 33.922 32.600 -0.106 0.000 1.625 326 M HN 0.331 nan 8.290 nan 0.000 0.493 327 S N -0.028 115.658 115.700 -0.024 0.000 2.600 327 S HA 0.149 4.619 4.470 -0.000 0.000 0.265 327 S C 0.312 174.932 174.600 0.033 0.000 1.325 327 S CA -0.040 58.171 58.200 0.020 0.000 1.002 327 S CB 0.611 63.831 63.200 0.033 0.000 0.921 327 S HN 0.972 nan 8.310 nan 0.000 0.554 328 W N 2.228 123.478 121.300 -0.083 0.000 2.335 328 W HA 0.030 4.689 4.660 -0.000 0.000 0.311 328 W C 2.139 178.576 176.519 -0.137 0.000 1.213 328 W CA 1.892 59.164 57.345 -0.121 0.000 1.274 328 W CB -1.087 28.268 29.460 -0.176 0.000 1.148 328 W HN 0.851 nan 8.180 nan 0.000 0.498 329 G N 0.130 108.766 108.800 -0.274 0.000 2.446 329 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 329 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 329 G C 1.311 176.031 174.900 -0.298 0.000 1.168 329 G CA 1.231 46.040 45.100 -0.484 0.000 0.771 329 G HN 0.444 nan 8.290 nan 0.000 0.551 330 E N 0.595 120.716 120.200 -0.132 0.000 2.085 330 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 330 E C 2.927 179.510 176.600 -0.029 0.000 0.994 330 E CA 1.395 57.764 56.400 -0.052 0.000 0.801 330 E CB -0.136 29.545 29.700 -0.030 0.000 0.743 330 E HN 0.587 nan 8.360 nan 0.000 0.453 331 S N 0.300 115.960 115.700 -0.066 0.000 2.382 331 S HA -0.156 4.313 4.470 -0.000 0.000 0.228 331 S C 1.905 176.604 174.600 0.165 0.000 1.027 331 S CA 0.834 59.072 58.200 0.064 0.000 0.991 331 S CB -0.627 62.644 63.200 0.118 0.000 0.823 331 S HN 0.269 nan 8.310 nan 0.000 0.469 332 F N 1.850 121.564 119.950 -0.393 0.000 2.259 332 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 332 F C 2.917 178.605 175.800 -0.187 0.000 1.088 332 F CA 0.381 58.138 58.000 -0.405 0.000 1.358 332 F CB -0.297 38.179 39.000 -0.874 0.000 1.040 332 F HN 0.358 nan 8.300 nan 0.000 0.505 333 A N -0.575 122.260 122.820 0.024 0.000 1.898 333 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 333 A C 1.856 179.456 177.584 0.027 0.000 1.181 333 A CA 1.382 53.436 52.037 0.028 0.000 0.620 333 A CB -1.252 17.774 19.000 0.044 0.000 0.819 333 A HN 0.529 nan 8.150 nan 0.000 0.442 334 Y N 0.413 120.680 120.300 -0.055 0.000 2.200 334 Y HA -0.087 4.463 4.550 -0.000 0.000 0.290 334 Y C 1.891 177.734 175.900 -0.094 0.000 1.137 334 Y CA 1.729 59.792 58.100 -0.061 0.000 1.163 334 Y CB -0.236 38.199 38.460 -0.042 0.000 0.988 334 Y HN 0.197 nan 8.280 nan 0.000 0.518 335 L N -0.231 120.977 121.223 -0.024 0.000 2.191 335 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 335 L C 2.457 179.178 176.870 -0.249 0.000 1.103 335 L CA 1.051 55.785 54.840 -0.176 0.000 0.769 335 L CB -0.658 41.308 42.059 -0.156 0.000 0.908 335 L HN 0.335 nan 8.230 nan 0.000 0.438 336 A N -0.543 122.198 122.820 -0.131 0.000 2.238 336 A HA 0.290 4.610 4.320 -0.000 0.000 0.208 336 A C 1.744 179.142 177.584 -0.309 0.000 1.177 336 A CA 0.666 52.696 52.037 -0.012 0.000 0.804 336 A CB -0.438 18.583 19.000 0.036 0.000 0.823 336 A HN 0.493 nan 8.150 nan 0.000 0.482 337 G N -1.006 107.564 108.800 -0.382 0.000 2.143 337 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 337 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 337 G C 0.113 174.774 174.900 -0.398 0.000 0.991 337 G CA 0.411 45.246 45.100 -0.442 0.000 0.689 337 G HN 0.438 nan 8.290 nan 0.000 0.522 338 L N -0.176 120.881 121.223 -0.277 0.000 2.439 338 L HA 0.353 4.693 4.340 -0.000 0.000 0.261 338 L C 1.706 178.587 176.870 0.018 0.000 1.153 338 L CA -0.841 53.938 54.840 -0.101 0.000 0.808 338 L CB 0.453 42.475 42.059 -0.062 0.000 1.126 338 L HN 0.021 nan 8.230 nan 0.000 0.460 339 E N 0.401 120.649 120.200 0.079 0.000 2.112 339 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 339 E C 0.439 177.083 176.600 0.075 0.000 0.979 339 E CA 0.971 57.421 56.400 0.082 0.000 0.814 339 E CB 0.203 29.953 29.700 0.084 0.000 0.762 339 E HN 0.811 nan 8.360 nan 0.000 0.460 340 T N -3.695 110.900 114.554 0.068 0.000 2.868 340 T HA 0.325 4.675 4.350 -0.000 0.000 0.306 340 T C 1.029 175.777 174.700 0.079 0.000 1.224 340 T CA -0.682 61.461 62.100 0.072 0.000 1.012 340 T CB 1.654 70.563 68.868 0.069 0.000 1.221 340 T HN -0.247 nan 8.240 nan 0.000 0.499 341 V N 1.511 121.483 119.914 0.096 0.000 2.392 341 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 341 V C 2.876 179.095 176.094 0.208 0.000 1.059 341 V CA 2.552 64.936 62.300 0.140 0.000 1.051 341 V CB -1.066 30.837 31.823 0.133 0.000 0.658 341 V HN 1.033 nan 8.190 nan 0.000 0.455 342 S N -0.786 115.017 115.700 0.171 0.000 2.387 342 S HA -0.305 4.165 4.470 -0.000 0.000 0.230 342 S C 1.944 176.509 174.600 -0.057 0.000 1.035 342 S CA 1.592 59.834 58.200 0.070 0.000 1.014 342 S CB -0.327 62.906 63.200 0.055 0.000 0.836 342 S HN 0.678 nan 8.310 nan 0.000 0.466 343 Q N 0.217 120.022 119.800 0.007 0.000 2.291 343 Q HA 0.033 4.373 4.340 -0.000 0.000 0.205 343 Q C 1.966 177.952 176.000 -0.022 0.000 0.970 343 Q CA 0.619 56.418 55.803 -0.007 0.000 0.876 343 Q CB -0.322 28.436 28.738 0.033 0.000 0.935 343 Q HN 0.520 nan 8.270 nan 0.000 0.455 344 L N 0.497 121.729 121.223 0.015 0.000 2.187 344 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 344 L C 1.759 178.598 176.870 -0.050 0.000 1.100 344 L CA 0.737 55.599 54.840 0.037 0.000 0.765 344 L CB -0.290 41.871 42.059 0.170 0.000 0.904 344 L HN 0.206 nan 8.230 nan 0.000 0.437 345 N N -0.064 118.515 118.700 -0.201 0.000 2.383 345 N HA -0.070 4.670 4.740 -0.000 0.000 0.192 345 N C 0.190 175.562 175.510 -0.230 0.000 1.141 345 N CA 0.101 52.957 53.050 -0.324 0.000 0.851 345 N CB -0.107 37.870 38.487 -0.850 0.000 0.976 345 N HN 0.096 nan 8.380 nan 0.000 0.465 346 N N 0.673 119.279 118.700 -0.157 0.000 2.609 346 N HA 0.085 4.825 4.740 -0.000 0.000 0.234 346 N C 0.811 176.233 175.510 -0.147 0.000 1.001 346 N CA -0.360 52.619 53.050 -0.119 0.000 0.926 346 N CB 0.377 38.836 38.487 -0.046 0.000 1.130 346 N HN 0.227 nan 8.380 nan 0.000 0.510 347 R N 1.819 122.136 120.500 -0.304 0.000 2.280 347 R HA 0.024 4.363 4.340 -0.000 0.000 0.207 347 R C -0.075 175.987 176.300 -0.398 0.000 1.043 347 R CA 1.088 56.941 56.100 -0.412 0.000 1.006 347 R CB -0.229 29.706 30.300 -0.607 0.000 0.885 347 R HN 0.241 nan 8.270 nan 0.000 0.467 348 F N 0.572 120.527 119.950 0.008 0.000 2.653 348 F HA 0.284 4.811 4.527 -0.000 0.000 0.304 348 F C 0.322 176.131 175.800 0.015 0.000 1.092 348 F CA -1.315 56.691 58.000 0.010 0.000 1.279 348 F CB 0.126 39.126 39.000 -0.000 0.000 1.044 348 F HN -0.060 nan 8.300 nan 0.000 0.564 349 L N 1.871 123.177 121.223 0.138 0.000 2.418 349 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 349 L C 0.042 176.994 176.870 0.136 0.000 1.135 349 L CA 0.072 54.985 54.840 0.122 0.000 0.870 349 L CB 0.073 42.191 42.059 0.099 0.000 1.154 349 L HN -0.017 nan 8.230 nan 0.000 0.462 350 K N 4.867 125.339 120.400 0.120 0.000 2.334 350 K HA 0.171 4.491 4.320 -0.000 0.000 0.265 350 K C 0.214 176.885 176.600 0.117 0.000 1.039 350 K CA -0.139 56.218 56.287 0.116 0.000 0.920 350 K CB 0.841 33.384 32.500 0.071 0.000 1.160 350 K HN 0.571 nan 8.250 nan 0.000 0.451 351 F N 1.204 121.162 119.950 0.013 0.000 2.387 351 F HA 0.067 4.594 4.527 -0.001 0.000 0.294 351 F C 0.381 176.178 175.800 -0.006 0.000 1.093 351 F CA 0.696 58.697 58.000 0.003 0.000 1.420 351 F CB 0.753 39.761 39.000 0.013 0.000 1.086 351 F HN 0.418 nan 8.300 nan 0.000 0.531 352 D N 0.292 120.787 120.400 0.159 0.000 2.476 352 D HA 0.154 4.794 4.640 -0.000 0.000 0.251 352 D C -0.799 175.530 176.300 0.048 0.000 1.291 352 D CA -0.131 53.913 54.000 0.074 0.000 0.939 352 D CB 0.881 41.748 40.800 0.112 0.000 1.221 352 D HN 0.221 nan 8.370 nan 0.000 0.567 353 E N 2.605 122.808 120.200 0.006 0.000 2.405 353 E HA 0.191 4.541 4.350 -0.000 0.000 0.214 353 E C 0.030 176.616 176.600 -0.023 0.000 1.101 353 E CA -0.243 56.158 56.400 0.002 0.000 1.254 353 E CB 0.774 30.466 29.700 -0.014 0.000 1.240 353 E HN 0.163 nan 8.360 nan 0.000 0.439 354 R N 0.722 121.208 120.500 -0.024 0.000 2.486 354 R HA 0.511 4.851 4.340 -0.000 0.000 0.286 354 R C 0.055 176.262 176.300 -0.154 0.000 0.999 354 R CA -0.508 55.526 56.100 -0.109 0.000 0.993 354 R CB 1.246 31.492 30.300 -0.090 0.000 1.084 354 R HN 0.039 nan 8.270 nan 0.000 0.487 355 A N 2.800 125.327 122.820 -0.489 0.000 2.425 355 A HA 0.456 4.776 4.320 -0.000 0.000 0.242 355 A C -0.352 176.689 177.584 -0.906 0.000 1.077 355 A CA 0.046 51.626 52.037 -0.762 0.000 0.781 355 A CB -0.039 18.282 19.000 -1.131 0.000 1.020 355 A HN 0.673 nan 8.150 nan 0.000 0.494 356 F N -1.064 118.427 119.950 -0.765 0.000 2.693 356 F HA 0.782 5.309 4.527 -0.000 0.000 0.309 356 F C -0.902 174.783 175.800 -0.191 0.000 1.129 356 F CA -1.065 56.651 58.000 -0.473 0.000 0.948 356 F CB 1.592 40.445 39.000 -0.244 0.000 1.315 356 F HN 0.612 nan 8.300 nan 0.000 0.447 357 K N 0.999 121.512 120.400 0.189 0.000 2.422 357 K HA 0.695 5.015 4.320 -0.000 0.000 0.251 357 K C -1.715 175.006 176.600 0.201 0.000 0.933 357 K CA -0.481 55.897 56.287 0.151 0.000 0.798 357 K CB 2.419 35.056 32.500 0.230 0.000 1.238 357 K HN 1.034 nan 8.250 nan 0.000 0.428 358 T N 1.988 116.610 114.554 0.114 0.000 2.916 358 T HA 0.534 4.883 4.350 -0.000 0.000 0.305 358 T C -1.647 173.138 174.700 0.142 0.000 1.119 358 T CA -0.691 61.461 62.100 0.087 0.000 1.008 358 T CB 1.153 69.957 68.868 -0.107 0.000 1.129 358 T HN 0.620 nan 8.240 nan 0.000 0.480 359 K N 1.512 122.043 120.400 0.218 0.000 2.444 359 K HA 0.850 5.169 4.320 -0.000 0.000 0.252 359 K C -1.595 175.233 176.600 0.379 0.000 0.993 359 K CA -1.029 55.396 56.287 0.231 0.000 0.847 359 K CB 2.633 35.137 32.500 0.005 0.000 1.340 359 K HN 0.391 nan 8.250 nan 0.000 0.446 360 V N 0.734 120.882 119.914 0.390 0.000 2.971 360 V HA 0.447 4.567 4.120 -0.000 0.000 0.309 360 V C -1.780 174.517 176.094 0.337 0.000 1.130 360 V CA -0.532 61.941 62.300 0.289 0.000 0.964 360 V CB 2.229 34.224 31.823 0.287 0.000 1.029 360 V HN 0.723 nan 8.190 nan 0.000 0.427 361 D N 3.752 124.247 120.400 0.158 0.000 2.527 361 D HA 0.553 5.193 4.640 -0.000 0.000 0.233 361 D C -1.349 174.905 176.300 -0.078 0.000 1.063 361 D CA -0.280 53.784 54.000 0.107 0.000 0.880 361 D CB 2.306 43.199 40.800 0.154 0.000 1.457 361 D HN 0.280 nan 8.370 nan 0.000 0.475 362 L N 1.205 122.335 121.223 -0.155 0.000 2.346 362 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 362 L C 0.702 177.442 176.870 -0.217 0.000 1.007 362 L CA -0.581 54.084 54.840 -0.291 0.000 0.818 362 L CB 1.455 43.241 42.059 -0.455 0.000 1.284 362 L HN 0.496 nan 8.230 nan 0.000 0.424 363 T N -1.264 113.157 114.554 -0.221 0.000 2.940 363 T HA 0.587 4.936 4.350 -0.000 0.000 0.288 363 T C 0.420 175.044 174.700 -0.127 0.000 1.033 363 T CA -0.664 61.350 62.100 -0.143 0.000 1.033 363 T CB 2.663 71.463 68.868 -0.113 0.000 1.079 363 T HN 0.488 nan 8.240 nan 0.000 0.496 364 K N 0.192 120.545 120.400 -0.078 0.000 2.474 364 K HA 0.284 4.604 4.320 -0.000 0.000 0.202 364 K C 0.178 176.763 176.600 -0.025 0.000 1.248 364 K CA 0.344 56.604 56.287 -0.045 0.000 0.946 364 K CB 0.896 33.379 32.500 -0.029 0.000 1.102 364 K HN 0.755 nan 8.250 nan 0.000 0.541 365 E N 1.608 121.794 120.200 -0.024 0.000 2.244 365 E HA 0.345 4.694 4.350 -0.000 0.000 0.266 365 E C -2.697 173.895 176.600 -0.014 0.000 0.914 365 E CA -2.382 54.018 56.400 0.000 0.000 0.794 365 E CB 1.383 31.093 29.700 0.016 0.000 1.210 365 E HN -0.194 nan 8.360 nan 0.000 0.414 366 P HA -0.014 nan 4.420 nan 0.000 0.267 366 P C -0.673 176.612 177.300 -0.024 0.000 1.200 366 P CA 0.232 63.314 63.100 -0.029 0.000 0.772 366 P CB 0.415 32.195 31.700 0.134 0.000 0.855 367 L N 5.152 126.314 121.223 -0.103 0.000 2.367 367 L HA 0.286 4.625 4.340 -0.000 0.000 0.275 367 L C -1.692 175.159 176.870 -0.031 0.000 1.129 367 L CA -1.942 52.787 54.840 -0.185 0.000 0.839 367 L CB 0.345 42.112 42.059 -0.487 0.000 1.133 367 L HN 0.248 nan 8.230 nan 0.000 0.453 368 P HA 0.039 nan 4.420 nan 0.000 0.272 368 P C 0.474 177.767 177.300 -0.012 0.000 1.223 368 P CA -0.432 62.672 63.100 0.007 0.000 0.784 368 P CB 1.004 32.649 31.700 -0.093 0.000 0.923 369 S N 2.218 117.900 115.700 -0.030 0.000 2.419 369 S HA -0.208 4.262 4.470 -0.000 0.000 0.233 369 S C 1.558 176.206 174.600 0.080 0.000 1.016 369 S CA 1.147 59.369 58.200 0.037 0.000 0.974 369 S CB -0.967 62.075 63.200 -0.264 0.000 0.786 369 S HN 0.627 nan 8.310 nan 0.000 0.492 370 K N 1.558 121.936 120.400 -0.037 0.000 2.209 370 K HA 0.111 4.431 4.320 -0.000 0.000 0.204 370 K C 2.170 178.776 176.600 0.011 0.000 1.048 370 K CA 1.131 57.428 56.287 0.018 0.000 0.940 370 K CB -0.597 31.903 32.500 0.001 0.000 0.729 370 K HN 0.404 nan 8.250 nan 0.000 0.451 371 A N 1.258 123.854 122.820 -0.374 0.000 1.897 371 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 371 A C 1.794 179.341 177.584 -0.062 0.000 1.181 371 A CA 0.872 52.569 52.037 -0.565 0.000 0.620 371 A CB -0.639 17.583 19.000 -1.297 0.000 0.821 371 A HN 0.297 nan 8.150 nan 0.000 0.443 372 F N -1.742 118.250 119.950 0.069 0.000 2.146 372 F HA -0.092 4.435 4.527 0.000 0.000 0.298 372 F C 2.175 178.055 175.800 0.133 0.000 1.096 372 F CA 1.117 59.192 58.000 0.124 0.000 1.275 372 F CB -1.021 38.060 39.000 0.134 0.000 1.008 372 F HN 0.401 nan 8.300 nan 0.000 0.480 373 Y N 0.659 121.094 120.300 0.226 0.000 2.128 373 Y HA -0.169 4.381 4.550 -0.001 0.000 0.284 373 Y C 2.572 178.519 175.900 0.078 0.000 1.154 373 Y CA 1.751 59.930 58.100 0.131 0.000 1.149 373 Y CB -0.845 37.669 38.460 0.090 0.000 0.976 373 Y HN 0.020 nan 8.280 nan 0.000 0.505 374 G N -0.236 108.734 108.800 0.283 0.000 2.408 374 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 374 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 374 G C 1.526 176.272 174.900 -0.257 0.000 1.150 374 G CA 0.943 45.992 45.100 -0.086 0.000 0.776 374 G HN 0.404 nan 8.290 nan 0.000 0.542 375 L N 0.450 121.709 121.223 0.060 0.000 2.017 375 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 375 L C 2.739 179.646 176.870 0.062 0.000 1.073 375 L CA 1.326 56.230 54.840 0.107 0.000 0.745 375 L CB -0.532 41.693 42.059 0.276 0.000 0.894 375 L HN 0.203 nan 8.230 nan 0.000 0.432 376 L N -0.984 120.251 121.223 0.019 0.000 2.093 376 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 376 L C 2.472 179.282 176.870 -0.100 0.000 1.085 376 L CA 1.212 56.017 54.840 -0.059 0.000 0.755 376 L CB -0.540 41.440 42.059 -0.132 0.000 0.904 376 L HN 0.337 nan 8.230 nan 0.000 0.435 377 E N -0.034 120.064 120.200 -0.170 0.000 2.077 377 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 377 E C 2.363 178.953 176.600 -0.016 0.000 0.989 377 E CA 1.064 57.385 56.400 -0.133 0.000 0.800 377 E CB -0.021 29.601 29.700 -0.130 0.000 0.746 377 E HN 0.435 nan 8.360 nan 0.000 0.452 378 R N 0.388 120.888 120.500 0.001 0.000 2.075 378 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 378 R C 2.505 179.093 176.300 0.479 0.000 1.126 378 R CA 0.821 57.033 56.100 0.187 0.000 0.963 378 R CB -0.305 29.986 30.300 -0.014 0.000 0.858 378 R HN 0.151 nan 8.270 nan 0.000 0.435 379 L N 0.848 122.291 121.223 0.366 0.000 2.079 379 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 379 L C 2.606 179.529 176.870 0.088 0.000 1.081 379 L CA 1.559 56.563 54.840 0.274 0.000 0.752 379 L CB -0.539 41.610 42.059 0.150 0.000 0.896 379 L HN 0.296 nan 8.230 nan 0.000 0.433 380 S N -0.510 115.225 115.700 0.058 0.000 2.442 380 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 380 S C 1.792 176.412 174.600 0.033 0.000 1.007 380 S CA 0.883 59.096 58.200 0.023 0.000 0.965 380 S CB -0.247 62.950 63.200 -0.005 0.000 0.773 380 S HN 0.429 nan 8.310 nan 0.000 0.504 381 K N 0.331 120.772 120.400 0.068 0.000 2.426 381 K HA 0.223 4.543 4.320 -0.000 0.000 0.193 381 K C 0.212 176.803 176.600 -0.015 0.000 1.028 381 K CA 0.470 56.793 56.287 0.060 0.000 1.047 381 K CB 0.245 32.820 32.500 0.125 0.000 0.821 381 K HN 0.295 nan 8.250 nan 0.000 0.513 382 E N 0.385 120.501 120.200 -0.140 0.000 2.761 382 E HA 0.167 4.517 4.350 -0.000 0.000 0.266 382 E C -2.532 173.888 176.600 -0.300 0.000 1.097 382 E CA -2.325 53.855 56.400 -0.367 0.000 0.773 382 E CB 1.141 30.167 29.700 -1.122 0.000 1.453 382 E HN -0.200 nan 8.360 nan 0.000 0.388 383 P HA 0.026 nan 4.420 nan 0.000 0.230 383 P C 0.190 177.494 177.300 0.006 0.000 1.158 383 P CA 0.620 63.721 63.100 0.002 0.000 0.769 383 P CB 0.339 32.065 31.700 0.043 0.000 0.807 384 N N -0.965 117.683 118.700 -0.088 0.000 2.467 384 N HA 0.047 4.786 4.740 -0.000 0.000 0.184 384 N C 1.043 176.494 175.510 -0.099 0.000 1.106 384 N CA 0.347 53.331 53.050 -0.111 0.000 0.892 384 N CB -0.300 37.982 38.487 -0.342 0.000 0.969 384 N HN 0.078 nan 8.380 nan 0.000 0.454 385 G N -0.180 108.448 108.800 -0.286 0.000 2.425 385 G HA2 0.528 4.487 3.960 -0.000 0.000 0.302 385 G HA3 0.528 4.487 3.960 -0.000 0.000 0.302 385 G C -0.660 174.359 174.900 0.198 0.000 1.159 385 G CA -0.442 44.477 45.100 -0.302 0.000 0.865 385 G HN 0.188 nan 8.290 nan 0.000 0.515 386 F N -0.154 119.892 119.950 0.161 0.000 2.686 386 F HA 0.755 5.282 4.527 -0.000 0.000 0.311 386 F C -0.757 175.158 175.800 0.192 0.000 1.128 386 F CA -1.744 56.344 58.000 0.147 0.000 0.946 386 F CB 1.401 40.531 39.000 0.216 0.000 1.336 386 F HN 0.619 nan 8.300 nan 0.000 0.457 387 I N 0.489 121.194 120.570 0.225 0.000 2.740 387 I HA 0.985 5.154 4.170 -0.000 0.000 0.303 387 I C -1.124 175.071 176.117 0.130 0.000 1.044 387 I CA -1.301 60.064 61.300 0.108 0.000 1.064 387 I CB 2.070 40.137 38.000 0.112 0.000 1.249 387 I HN 0.974 nan 8.210 nan 0.000 0.433 388 A N 6.340 129.194 122.820 0.057 0.000 2.343 388 A HA 0.826 5.146 4.320 -0.000 0.000 0.308 388 A C -1.028 176.558 177.584 0.003 0.000 1.092 388 A CA -0.565 51.516 52.037 0.073 0.000 0.751 388 A CB 1.194 20.302 19.000 0.180 0.000 1.203 388 A HN 0.739 nan 8.150 nan 0.000 0.452 389 L N 3.103 124.287 121.223 -0.066 0.000 2.356 389 L HA 0.534 4.874 4.340 -0.000 0.000 0.277 389 L C -0.578 176.378 176.870 0.143 0.000 0.996 389 L CA -0.666 54.130 54.840 -0.073 0.000 0.822 389 L CB 1.885 43.628 42.059 -0.526 0.000 1.256 389 L HN 0.671 nan 8.230 nan 0.000 0.413 390 N N 1.485 120.410 118.700 0.375 0.000 2.249 390 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 390 N C -0.554 175.273 175.510 0.529 0.000 1.051 390 N CA -0.394 52.976 53.050 0.533 0.000 0.815 390 N CB 2.968 41.737 38.487 0.471 0.000 1.487 390 N HN 0.730 nan 8.380 nan 0.000 0.475 391 G N 0.913 110.021 108.800 0.514 0.000 2.400 391 G HA2 0.492 4.451 3.960 -0.000 0.000 0.301 391 G HA3 0.492 4.451 3.960 -0.000 0.000 0.301 391 G C -0.255 174.986 174.900 0.568 0.000 1.154 391 G CA -0.078 45.195 45.100 0.289 0.000 0.852 391 G HN 0.285 nan 8.290 nan 0.000 0.511 392 F N 0.792 120.817 119.950 0.125 0.000 2.637 392 F HA 0.730 5.257 4.527 0.000 0.000 0.187 392 F C 1.578 177.447 175.800 0.116 0.000 1.055 392 F CA -0.049 58.053 58.000 0.170 0.000 0.977 392 F CB -0.533 38.546 39.000 0.132 0.000 2.212 392 F HN 0.946 nan 8.300 nan 0.000 0.645 393 G N -0.483 108.504 108.800 0.312 0.000 2.693 393 G HA2 0.338 4.298 3.960 -0.000 0.000 0.226 393 G HA3 0.338 4.298 3.960 -0.000 0.000 0.226 393 G C 0.450 175.417 174.900 0.112 0.000 1.354 393 G CA -0.034 45.165 45.100 0.165 0.000 0.873 393 G HN 1.771 nan 8.290 nan 0.000 0.562 394 G N -1.256 107.587 108.800 0.071 0.000 2.614 394 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.303 394 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.303 394 G C 1.213 176.115 174.900 0.004 0.000 1.270 394 G CA 2.007 47.126 45.100 0.032 0.000 0.988 394 G HN 2.167 nan 8.290 nan 0.000 0.551 395 Q N -0.465 119.312 119.800 -0.038 0.000 2.291 395 Q HA 0.102 4.442 4.340 -0.000 0.000 0.206 395 Q C 2.704 178.684 176.000 -0.034 0.000 0.976 395 Q CA 2.270 58.037 55.803 -0.060 0.000 0.875 395 Q CB -0.211 28.463 28.738 -0.107 0.000 0.927 395 Q HN 0.559 nan 8.270 nan 0.000 0.450 396 M N -0.806 118.786 119.600 -0.014 0.000 2.374 396 M HA -0.024 4.455 4.480 -0.000 0.000 0.264 396 M C 1.606 177.958 176.300 0.086 0.000 1.067 396 M CA 1.038 56.343 55.300 0.009 0.000 1.103 396 M CB -0.442 32.126 32.600 -0.054 0.000 1.402 396 M HN 0.096 nan 8.290 nan 0.000 0.444 397 S N -0.104 115.645 115.700 0.082 0.000 2.528 397 S HA 0.050 4.519 4.470 -0.000 0.000 0.219 397 S C 1.593 176.222 174.600 0.048 0.000 0.985 397 S CA 0.462 58.715 58.200 0.087 0.000 0.914 397 S CB 0.150 63.400 63.200 0.083 0.000 0.776 397 S HN 0.463 nan 8.310 nan 0.000 0.526 398 K N 0.530 120.939 120.400 0.015 0.000 2.367 398 K HA 0.278 4.598 4.320 -0.000 0.000 0.194 398 K C -0.095 176.482 176.600 -0.038 0.000 1.027 398 K CA 0.236 56.514 56.287 -0.014 0.000 1.075 398 K CB 0.371 32.849 32.500 -0.037 0.000 0.845 398 K HN 0.304 nan 8.250 nan 0.000 0.529 399 I N 1.736 122.289 120.570 -0.028 0.000 2.365 399 I HA 0.042 4.212 4.170 -0.000 0.000 0.291 399 I C 0.146 176.296 176.117 0.055 0.000 1.004 399 I CA -0.352 60.914 61.300 -0.057 0.000 1.311 399 I CB 1.613 39.586 38.000 -0.045 0.000 1.401 399 I HN -0.055 nan 8.210 nan 0.000 0.491 400 S N 3.163 118.909 115.700 0.077 0.000 2.573 400 S HA -0.035 4.435 4.470 -0.000 0.000 0.277 400 S C 1.394 176.120 174.600 0.210 0.000 1.346 400 S CA -0.268 58.018 58.200 0.143 0.000 1.034 400 S CB 1.035 64.334 63.200 0.165 0.000 0.879 400 S HN 0.856 nan 8.310 nan 0.000 0.528 401 S N 0.982 116.787 115.700 0.175 0.000 2.442 401 S HA -0.151 4.319 4.470 -0.000 0.000 0.236 401 S C 0.947 175.690 174.600 0.238 0.000 1.007 401 S CA 1.199 59.504 58.200 0.175 0.000 0.965 401 S CB -0.311 62.962 63.200 0.122 0.000 0.773 401 S HN 0.860 nan 8.310 nan 0.000 0.504 402 D N -0.493 120.071 120.400 0.274 0.000 2.402 402 D HA 0.089 4.729 4.640 -0.000 0.000 0.216 402 D C 1.063 177.658 176.300 0.491 0.000 1.128 402 D CA -0.612 53.606 54.000 0.364 0.000 0.833 402 D CB -0.706 40.219 40.800 0.209 0.000 0.971 402 D HN 0.352 nan 8.370 nan 0.000 0.503 403 F N 2.830 122.949 119.950 0.282 0.000 2.095 403 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 403 F C 0.837 176.855 175.800 0.363 0.000 1.104 403 F CA 1.728 59.887 58.000 0.266 0.000 1.232 403 F CB -0.219 38.876 39.000 0.159 0.000 0.987 403 F HN 0.039 nan 8.300 nan 0.000 0.475 404 T N -4.324 110.341 114.554 0.186 0.000 2.864 404 T HA 0.404 4.754 4.350 -0.000 0.000 0.289 404 T C -2.140 172.441 174.700 -0.199 0.000 1.082 404 T CA -1.680 60.264 62.100 -0.260 0.000 1.009 404 T CB 1.382 70.082 68.868 -0.280 0.000 1.234 404 T HN -0.333 nan 8.240 nan 0.000 0.526 405 P HA 0.091 nan 4.420 nan 0.000 0.220 405 P C 0.171 177.580 177.300 0.182 0.000 1.148 405 P CA 0.330 63.200 63.100 -0.382 0.000 0.803 405 P CB -0.155 31.149 31.700 -0.660 0.000 0.782 406 F N 2.699 122.688 119.950 0.064 0.000 2.533 406 F HA 0.104 4.630 4.527 -0.000 0.000 0.378 406 F C -1.494 174.324 175.800 0.030 0.000 1.070 406 F CA -1.821 56.237 58.000 0.097 0.000 1.172 406 F CB 0.610 39.656 39.000 0.077 0.000 1.085 406 F HN 0.009 nan 8.300 nan 0.000 0.552 407 P HA -0.013 nan 4.420 nan 0.000 0.264 407 P C -0.453 176.618 177.300 -0.382 0.000 1.259 407 P CA 0.429 63.319 63.100 -0.350 0.000 0.841 407 P CB 0.238 31.750 31.700 -0.312 0.000 1.232 408 H N 1.232 120.030 119.070 -0.454 0.000 2.982 408 H HA 0.291 4.847 4.556 -0.000 0.000 0.261 408 H C 1.025 176.497 175.328 0.240 0.000 1.603 408 H CA 0.005 55.961 56.048 -0.153 0.000 1.398 408 H CB 0.471 30.064 29.762 -0.281 0.000 1.693 408 H HN 0.045 nan 8.280 nan 0.000 0.535 409 R N 0.467 121.131 120.500 0.273 0.000 2.366 409 R HA 0.155 4.495 4.340 -0.000 0.000 0.113 409 R C 0.585 177.022 176.300 0.229 0.000 1.519 409 R CA -0.770 55.497 56.100 0.279 0.000 1.310 409 R CB -0.531 29.891 30.300 0.203 0.000 1.109 409 R HN 0.291 nan 8.270 nan 0.000 0.432 410 S N -0.115 115.678 115.700 0.156 0.000 2.558 410 S HA 0.273 4.742 4.470 -0.000 0.000 0.293 410 S C 1.064 175.732 174.600 0.112 0.000 1.292 410 S CA 1.359 59.632 58.200 0.121 0.000 1.063 410 S CB -0.028 63.224 63.200 0.086 0.000 0.831 410 S HN 0.676 nan 8.310 nan 0.000 0.499 411 G N 3.278 112.135 108.800 0.096 0.000 2.268 411 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.240 411 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.240 411 G C 0.217 175.151 174.900 0.058 0.000 1.010 411 G CA 0.240 45.381 45.100 0.068 0.000 0.618 411 G HN 0.932 nan 8.290 nan 0.000 0.516 412 T N 1.264 115.876 114.554 0.097 0.000 2.794 412 T HA 0.544 4.894 4.350 -0.000 0.000 0.296 412 T C 1.387 176.086 174.700 -0.002 0.000 0.949 412 T CA 0.153 62.271 62.100 0.030 0.000 1.101 412 T CB 1.779 70.715 68.868 0.113 0.000 0.905 412 T HN 0.392 nan 8.240 nan 0.000 0.516 413 R N 1.906 122.340 120.500 -0.109 0.000 2.072 413 R HA 0.353 4.693 4.340 -0.000 0.000 0.214 413 R C 0.228 176.423 176.300 -0.175 0.000 1.168 413 R CA 0.475 56.517 56.100 -0.097 0.000 1.020 413 R CB 0.183 30.423 30.300 -0.099 0.000 0.914 413 R HN 0.442 nan 8.270 nan 0.000 0.449 414 L N 0.467 121.524 121.223 -0.276 0.000 2.371 414 L HA 0.521 4.861 4.340 -0.000 0.000 0.262 414 L C -0.873 175.713 176.870 -0.472 0.000 1.006 414 L CA -0.880 53.810 54.840 -0.249 0.000 0.818 414 L CB 2.337 44.380 42.059 -0.027 0.000 1.354 414 L HN 0.031 nan 8.230 nan 0.000 0.415 415 M N 2.257 121.617 119.600 -0.400 0.000 2.227 415 M HA 0.603 5.082 4.480 -0.000 0.000 0.335 415 M C -1.737 174.494 176.300 -0.115 0.000 1.053 415 M CA -0.520 54.579 55.300 -0.335 0.000 0.973 415 M CB 1.654 34.031 32.600 -0.372 0.000 1.623 415 M HN 0.324 nan 8.290 nan 0.000 0.434 416 V N 4.536 124.365 119.914 -0.141 0.000 2.407 416 V HA 0.437 4.557 4.120 -0.000 0.000 0.291 416 V C -0.679 175.170 176.094 -0.408 0.000 1.018 416 V CA -0.645 61.538 62.300 -0.195 0.000 0.842 416 V CB 1.627 33.348 31.823 -0.170 0.000 0.996 416 V HN 0.860 nan 8.190 nan 0.000 0.426 417 E N 3.496 123.502 120.200 -0.324 0.000 2.183 417 E HA 0.577 4.926 4.350 -0.000 0.000 0.271 417 E C -1.818 174.541 176.600 -0.402 0.000 0.919 417 E CA -0.654 55.582 56.400 -0.274 0.000 0.781 417 E CB 1.515 31.267 29.700 0.087 0.000 1.140 417 E HN 0.638 nan 8.360 nan 0.000 0.402 418 Y N 3.442 123.810 120.300 0.112 0.000 2.328 418 Y HA 0.488 5.038 4.550 0.001 0.000 0.337 418 Y C -0.362 175.549 175.900 0.018 0.000 0.966 418 Y CA -0.856 57.293 58.100 0.082 0.000 1.136 418 Y CB 0.870 39.396 38.460 0.110 0.000 1.170 418 Y HN 0.327 nan 8.280 nan 0.000 0.470 419 I N 3.208 123.770 120.570 -0.012 0.000 2.608 419 I HA 0.601 4.771 4.170 -0.000 0.000 0.295 419 I C -1.060 175.038 176.117 -0.031 0.000 1.049 419 I CA -0.939 60.233 61.300 -0.214 0.000 1.063 419 I CB 2.324 39.766 38.000 -0.930 0.000 1.248 419 I HN 0.411 nan 8.210 nan 0.000 0.424 420 V N 4.787 124.789 119.914 0.146 0.000 2.638 420 V HA 0.952 5.072 4.120 -0.000 0.000 0.306 420 V C -1.024 175.212 176.094 0.237 0.000 1.052 420 V CA -0.165 62.242 62.300 0.178 0.000 0.885 420 V CB 1.646 33.655 31.823 0.310 0.000 0.999 420 V HN 0.927 nan 8.190 nan 0.000 0.424 421 A N 5.866 128.773 122.820 0.145 0.000 2.515 421 A HA 1.021 5.341 4.320 -0.000 0.000 0.298 421 A C -1.593 176.012 177.584 0.035 0.000 1.059 421 A CA -0.477 51.611 52.037 0.085 0.000 0.698 421 A CB 1.583 20.664 19.000 0.135 0.000 1.289 421 A HN 1.743 nan 8.150 nan 0.000 0.404 422 W N 1.515 122.717 121.300 -0.163 0.000 3.213 422 W HA 0.646 5.306 4.660 0.001 0.000 0.318 422 W C -0.642 175.863 176.519 -0.024 0.000 1.248 422 W CA -0.782 56.456 57.345 -0.177 0.000 1.187 422 W CB 0.466 29.774 29.460 -0.254 0.000 1.403 422 W HN 0.846 nan 8.180 nan 0.000 0.556 423 N N 0.447 119.242 118.700 0.159 0.000 2.447 423 N HA 0.209 4.949 4.740 -0.000 0.000 0.271 423 N C 0.638 176.263 175.510 0.193 0.000 1.226 423 N CA -0.428 52.673 53.050 0.085 0.000 0.980 423 N CB 0.642 39.161 38.487 0.054 0.000 1.206 423 N HN 0.772 nan 8.380 nan 0.000 0.558 424 Q N -0.798 119.070 119.800 0.114 0.000 2.181 424 Q HA -0.155 4.184 4.340 -0.000 0.000 0.205 424 Q C 1.381 177.471 176.000 0.151 0.000 0.980 424 Q CA 1.744 57.629 55.803 0.138 0.000 0.862 424 Q CB -0.196 28.584 28.738 0.070 0.000 0.905 424 Q HN 0.844 nan 8.270 nan 0.000 0.429 425 S N -0.139 115.635 115.700 0.123 0.000 2.507 425 S HA -0.110 4.360 4.470 -0.000 0.000 0.235 425 S C 1.101 175.779 174.600 0.131 0.000 0.988 425 S CA 0.859 59.120 58.200 0.101 0.000 0.944 425 S CB 0.052 63.294 63.200 0.070 0.000 0.762 425 S HN 0.351 nan 8.310 nan 0.000 0.526 426 E N 0.234 120.564 120.200 0.217 0.000 2.498 426 E HA 0.161 4.511 4.350 -0.000 0.000 0.203 426 E C 1.640 178.368 176.600 0.214 0.000 1.013 426 E CA -0.206 56.343 56.400 0.248 0.000 0.927 426 E CB 0.024 29.960 29.700 0.393 0.000 1.012 426 E HN 0.584 nan 8.360 nan 0.000 0.482 427 Q N 0.985 120.933 119.800 0.246 0.000 2.217 427 Q HA -0.230 4.109 4.340 -0.000 0.000 0.209 427 Q C 1.479 177.478 176.000 -0.002 0.000 0.988 427 Q CA 1.402 57.325 55.803 0.200 0.000 0.878 427 Q CB -0.050 28.815 28.738 0.212 0.000 0.909 427 Q HN 0.031 nan 8.270 nan 0.000 0.424 428 K N 0.402 120.787 120.400 -0.024 0.000 2.362 428 K HA -0.083 4.237 4.320 -0.000 0.000 0.200 428 K C 1.173 177.650 176.600 -0.205 0.000 1.046 428 K CA 0.835 57.070 56.287 -0.086 0.000 0.952 428 K CB 0.207 32.673 32.500 -0.058 0.000 0.753 428 K HN 0.039 nan 8.250 nan 0.000 0.466 429 K N 0.130 120.342 120.400 -0.314 0.000 2.417 429 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 429 K C 1.331 177.390 176.600 -0.901 0.000 1.023 429 K CA 0.063 55.961 56.287 -0.648 0.000 1.122 429 K CB 0.298 32.263 32.500 -0.892 0.000 0.850 429 K HN 0.054 nan 8.250 nan 0.000 0.521 430 K N 1.019 121.047 120.400 -0.619 0.000 2.020 430 K HA -0.184 4.135 4.320 -0.000 0.000 0.212 430 K C 1.560 177.884 176.600 -0.459 0.000 1.050 430 K CA 2.003 57.878 56.287 -0.687 0.000 0.929 430 K CB -0.049 32.230 32.500 -0.369 0.000 0.714 430 K HN -0.026 nan 8.250 nan 0.000 0.443 431 T N 0.692 115.063 114.554 -0.305 0.000 2.833 431 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 431 T C 1.619 176.203 174.700 -0.194 0.000 1.054 431 T CA 1.599 63.587 62.100 -0.185 0.000 1.135 431 T CB -0.172 68.620 68.868 -0.127 0.000 0.869 431 T HN 0.467 nan 8.240 nan 0.000 0.466 432 E N 0.045 120.044 120.200 -0.335 0.000 2.077 432 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 432 E C 1.610 178.092 176.600 -0.197 0.000 0.989 432 E CA 1.056 57.269 56.400 -0.312 0.000 0.800 432 E CB -0.157 29.255 29.700 -0.480 0.000 0.746 432 E HN 0.462 nan 8.360 nan 0.000 0.452 433 F N 0.950 120.806 119.950 -0.157 0.000 2.146 433 F HA -0.092 4.436 4.527 0.000 0.000 0.298 433 F C 2.179 178.031 175.800 0.088 0.000 1.096 433 F CA 0.815 58.772 58.000 -0.071 0.000 1.275 433 F CB -0.605 38.222 39.000 -0.287 0.000 1.008 433 F HN 0.058 nan 8.300 nan 0.000 0.480 434 L N -0.468 120.850 121.223 0.157 0.000 2.083 434 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 434 L C 2.085 179.038 176.870 0.139 0.000 1.083 434 L CA 1.222 56.153 54.840 0.153 0.000 0.752 434 L CB -0.795 41.307 42.059 0.071 0.000 0.899 434 L HN 0.060 nan 8.230 nan 0.000 0.433 435 D N -0.446 120.014 120.400 0.099 0.000 2.104 435 D HA -0.243 4.396 4.640 -0.000 0.000 0.194 435 D C 1.734 178.116 176.300 0.137 0.000 0.994 435 D CA 1.242 55.291 54.000 0.083 0.000 0.830 435 D CB -0.286 40.543 40.800 0.049 0.000 0.959 435 D HN 0.432 nan 8.370 nan 0.000 0.452 436 W N 1.256 122.579 121.300 0.039 0.000 2.358 436 W HA -0.162 4.497 4.660 -0.001 0.000 0.303 436 W C 2.064 178.624 176.519 0.067 0.000 1.208 436 W CA 0.907 58.287 57.345 0.059 0.000 1.274 436 W CB -0.427 29.096 29.460 0.104 0.000 1.138 436 W HN -0.011 nan 8.180 nan 0.000 0.515 437 L N 1.309 122.680 121.223 0.248 0.000 2.093 437 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 437 L C 2.398 179.209 176.870 -0.098 0.000 1.085 437 L CA 2.641 57.499 54.840 0.029 0.000 0.755 437 L CB -1.227 40.988 42.059 0.261 0.000 0.904 437 L HN 0.252 nan 8.230 nan 0.000 0.435 438 E N -0.414 119.775 120.200 -0.017 0.000 2.077 438 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 438 E C 2.077 178.650 176.600 -0.045 0.000 0.989 438 E CA 1.415 57.809 56.400 -0.009 0.000 0.800 438 E CB -0.016 29.695 29.700 0.017 0.000 0.746 438 E HN 0.542 nan 8.360 nan 0.000 0.452 439 K N -0.007 120.325 120.400 -0.115 0.000 2.097 439 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 439 K C 2.174 178.650 176.600 -0.207 0.000 1.050 439 K CA 1.195 57.400 56.287 -0.136 0.000 0.938 439 K CB 0.017 32.430 32.500 -0.145 0.000 0.718 439 K HN 0.035 nan 8.250 nan 0.000 0.442 440 V N 0.631 120.282 119.914 -0.437 0.000 2.295 440 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 440 V C 2.027 177.917 176.094 -0.339 0.000 1.049 440 V CA 1.687 63.694 62.300 -0.488 0.000 1.024 440 V CB -0.511 30.775 31.823 -0.894 0.000 0.648 440 V HN 0.267 nan 8.190 nan 0.000 0.447 441 Y N 1.169 121.197 120.300 -0.454 0.000 2.224 441 Y HA -0.230 4.319 4.550 -0.001 0.000 0.289 441 Y C 2.554 178.331 175.900 -0.205 0.000 1.146 441 Y CA 2.137 60.013 58.100 -0.373 0.000 1.182 441 Y CB -0.145 38.191 38.460 -0.206 0.000 0.983 441 Y HN 0.366 nan 8.280 nan 0.000 0.524 442 E N -0.202 119.959 120.200 -0.065 0.000 2.077 442 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 442 E C 2.016 178.536 176.600 -0.133 0.000 0.989 442 E CA 1.522 57.859 56.400 -0.105 0.000 0.800 442 E CB -0.891 28.790 29.700 -0.031 0.000 0.746 442 E HN 0.466 nan 8.360 nan 0.000 0.452 443 F N 0.310 120.141 119.950 -0.197 0.000 2.161 443 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 443 F C 1.779 177.499 175.800 -0.133 0.000 1.089 443 F CA 1.397 59.313 58.000 -0.140 0.000 1.282 443 F CB -0.080 38.859 39.000 -0.100 0.000 1.010 443 F HN 0.078 nan 8.300 nan 0.000 0.485 444 M N 0.145 119.531 119.600 -0.358 0.000 2.558 444 M HA -0.047 4.432 4.480 -0.000 0.000 0.255 444 M C 2.044 178.081 176.300 -0.439 0.000 1.113 444 M CA 0.711 55.812 55.300 -0.332 0.000 1.097 444 M CB -0.978 31.538 32.600 -0.140 0.000 1.426 444 M HN 0.217 nan 8.290 nan 0.000 0.488 445 K N 1.340 121.438 120.400 -0.504 0.000 2.077 445 K HA -0.191 4.128 4.320 -0.000 0.000 0.213 445 K C -0.983 175.329 176.600 -0.479 0.000 1.051 445 K CA 1.851 57.862 56.287 -0.460 0.000 0.929 445 K CB -0.790 31.485 32.500 -0.376 0.000 0.715 445 K HN 0.151 nan 8.250 nan 0.000 0.451 446 P HA -0.090 nan 4.420 nan 0.000 0.223 446 P C 0.466 177.408 177.300 -0.595 0.000 1.151 446 P CA 1.096 63.764 63.100 -0.721 0.000 0.787 446 P CB 0.071 31.159 31.700 -1.020 0.000 0.788 447 F N -1.448 118.356 119.950 -0.243 0.000 2.714 447 F HA 0.085 4.612 4.527 0.000 0.000 0.294 447 F C 1.565 177.263 175.800 -0.171 0.000 1.120 447 F CA -0.238 57.638 58.000 -0.207 0.000 1.398 447 F CB -0.936 37.908 39.000 -0.260 0.000 1.120 447 F HN -0.229 nan 8.300 nan 0.000 0.589 448 V N -2.113 117.774 119.914 -0.046 0.000 3.369 448 V HA 0.622 4.742 4.120 -0.000 0.000 0.301 448 V C 0.590 176.631 176.094 -0.089 0.000 1.184 448 V CA -1.099 61.165 62.300 -0.060 0.000 1.013 448 V CB 0.663 32.445 31.823 -0.068 0.000 1.230 448 V HN 0.103 nan 8.190 nan 0.000 0.464 449 S N 0.432 116.077 115.700 -0.092 0.000 2.563 449 S HA 0.367 4.837 4.470 -0.000 0.000 0.284 449 S C -0.368 174.179 174.600 -0.088 0.000 1.331 449 S CA -0.268 57.880 58.200 -0.087 0.000 1.047 449 S CB -0.240 62.899 63.200 -0.102 0.000 0.859 449 S HN 0.837 nan 8.310 nan 0.000 0.514 450 K N 0.948 121.305 120.400 -0.071 0.000 2.508 450 K HA 0.448 4.768 4.320 -0.000 0.000 0.260 450 K C -0.955 175.616 176.600 -0.048 0.000 0.949 450 K CA -1.148 55.097 56.287 -0.071 0.000 0.834 450 K CB 1.076 33.526 32.500 -0.083 0.000 1.365 450 K HN 0.610 nan 8.250 nan 0.000 0.437 451 N N 1.398 120.071 118.700 -0.045 0.000 2.681 451 N HA -0.105 4.635 4.740 -0.000 0.000 0.259 451 N C -2.421 173.077 175.510 -0.020 0.000 1.066 451 N CA 0.497 53.528 53.050 -0.032 0.000 0.717 451 N CB -1.340 37.129 38.487 -0.029 0.000 0.885 451 N HN 0.594 nan 8.380 nan 0.000 0.547 452 P HA 0.296 nan 4.420 nan 0.000 0.283 452 P C -0.085 177.196 177.300 -0.032 0.000 1.278 452 P CA -0.667 62.414 63.100 -0.031 0.000 0.834 452 P CB 1.255 32.932 31.700 -0.038 0.000 1.150 453 R N 0.912 121.394 120.500 -0.031 0.000 2.370 453 R HA 0.269 4.609 4.340 -0.000 0.000 0.309 453 R C 0.019 176.315 176.300 -0.006 0.000 1.059 453 R CA -0.263 55.820 56.100 -0.030 0.000 0.981 453 R CB -0.428 29.861 30.300 -0.019 0.000 0.972 453 R HN 0.404 nan 8.270 nan 0.000 0.437 454 L N 3.305 124.503 121.223 -0.043 0.000 2.436 454 L HA 0.481 4.821 4.340 -0.000 0.000 0.265 454 L C 1.032 177.898 176.870 -0.007 0.000 1.168 454 L CA -0.186 54.609 54.840 -0.074 0.000 0.815 454 L CB 1.264 43.144 42.059 -0.298 0.000 1.109 454 L HN 0.827 nan 8.230 nan 0.000 0.462 455 G N -0.215 108.639 108.800 0.091 0.000 2.921 455 G HA2 0.524 4.483 3.960 -0.000 0.000 0.291 455 G HA3 0.524 4.483 3.960 -0.000 0.000 0.291 455 G C -2.363 172.821 174.900 0.474 0.000 1.370 455 G CA -0.203 45.076 45.100 0.298 0.000 0.847 455 G HN 0.330 nan 8.290 nan 0.000 0.532 456 Y N 0.067 120.563 120.300 0.328 0.000 2.361 456 Y HA 0.465 5.015 4.550 -0.001 0.000 0.328 456 Y C 0.509 176.343 175.900 -0.110 0.000 1.044 456 Y CA -1.305 56.911 58.100 0.194 0.000 1.085 456 Y CB 1.703 40.248 38.460 0.142 0.000 1.194 456 Y HN 0.463 nan 8.280 nan 0.000 0.438 457 V N 5.046 124.736 119.914 -0.372 0.000 2.594 457 V HA -0.185 3.934 4.120 -0.000 0.000 0.253 457 V C 1.361 177.106 176.094 -0.581 0.000 1.069 457 V CA 2.313 64.119 62.300 -0.823 0.000 1.082 457 V CB -0.247 31.309 31.823 -0.444 0.000 0.680 457 V HN 0.816 nan 8.190 nan 0.000 0.469 458 N N -0.441 117.767 118.700 -0.820 0.000 2.512 458 N HA -0.046 4.693 4.740 -0.000 0.000 0.183 458 N C 0.885 176.066 175.510 -0.549 0.000 1.073 458 N CA 0.831 53.465 53.050 -0.695 0.000 0.911 458 N CB -0.311 37.704 38.487 -0.787 0.000 0.964 458 N HN 0.669 nan 8.380 nan 0.000 0.447 459 H N -0.224 118.478 119.070 -0.614 0.000 2.507 459 H HA 0.179 4.735 4.556 -0.001 0.000 0.271 459 H C 0.087 175.401 175.328 -0.024 0.000 1.224 459 H CA -0.619 55.321 56.048 -0.179 0.000 1.000 459 H CB 0.391 30.261 29.762 0.180 0.000 1.663 459 H HN 0.107 nan 8.280 nan 0.000 0.548 460 I N 2.055 122.566 120.570 -0.097 0.000 2.845 460 I HA -0.163 4.007 4.170 -0.000 0.000 0.296 460 I C 0.026 176.228 176.117 0.142 0.000 1.216 460 I CA 0.951 62.229 61.300 -0.037 0.000 1.438 460 I CB 0.320 38.240 38.000 -0.133 0.000 1.342 460 I HN 0.314 nan 8.210 nan 0.000 0.577 461 D N 7.180 127.700 120.400 0.200 0.000 2.575 461 D HA 0.196 4.836 4.640 -0.000 0.000 0.250 461 D C 0.352 176.686 176.300 0.055 0.000 1.279 461 D CA -0.392 53.697 54.000 0.148 0.000 0.925 461 D CB 1.242 42.145 40.800 0.171 0.000 1.261 461 D HN 0.498 nan 8.370 nan 0.000 0.567 462 L N 2.242 123.465 121.223 0.000 0.000 2.552 462 L HA -0.004 4.336 4.340 -0.000 0.000 0.227 462 L C 1.046 177.882 176.870 -0.056 0.000 1.146 462 L CA 0.285 55.077 54.840 -0.080 0.000 0.858 462 L CB 0.062 42.082 42.059 -0.065 0.000 0.969 462 L HN 0.308 nan 8.230 nan 0.000 0.451 463 D N 0.374 120.766 120.400 -0.012 0.000 2.218 463 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 463 D C 1.954 178.265 176.300 0.018 0.000 0.976 463 D CA 1.022 55.021 54.000 -0.003 0.000 0.853 463 D CB 0.068 40.855 40.800 -0.023 0.000 0.939 463 D HN 0.204 nan 8.370 nan 0.000 0.481 464 L N -0.530 120.709 121.223 0.026 0.000 2.465 464 L HA 0.225 4.565 4.340 -0.000 0.000 0.224 464 L C 1.479 178.456 176.870 0.179 0.000 1.145 464 L CA 0.536 55.447 54.840 0.118 0.000 0.834 464 L CB -1.082 41.076 42.059 0.165 0.000 0.944 464 L HN 0.076 nan 8.230 nan 0.000 0.451 465 G N -2.068 106.712 108.800 -0.033 0.000 2.408 465 G HA2 0.393 4.353 3.960 -0.000 0.000 0.682 465 G HA3 0.393 4.353 3.960 -0.000 0.000 0.682 465 G C -0.460 174.091 174.900 -0.581 0.000 1.303 465 G CA -0.597 44.464 45.100 -0.066 0.000 0.966 465 G HN 0.501 nan 8.290 nan 0.000 0.560 466 G N -1.360 107.210 108.800 -0.384 0.000 2.601 466 G HA2 0.645 4.604 3.960 -0.000 0.000 0.291 466 G HA3 0.645 4.604 3.960 -0.000 0.000 0.291 466 G C -1.153 173.680 174.900 -0.111 0.000 1.456 466 G CA -0.664 44.162 45.100 -0.457 0.000 0.804 466 G HN 0.929 nan 8.290 nan 0.000 0.499 467 I N 1.628 122.103 120.570 -0.158 0.000 2.342 467 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 467 I C -0.466 175.374 176.117 -0.462 0.000 1.010 467 I CA -0.665 60.401 61.300 -0.390 0.000 1.308 467 I CB 1.470 38.909 38.000 -0.934 0.000 1.400 467 I HN 0.441 nan 8.210 nan 0.000 0.488 468 D N 6.054 126.263 120.400 -0.317 0.000 2.422 468 D HA 0.058 4.698 4.640 -0.000 0.000 0.227 468 D C 0.683 176.872 176.300 -0.185 0.000 1.190 468 D CA -0.237 53.654 54.000 -0.182 0.000 0.905 468 D CB 0.284 41.037 40.800 -0.078 0.000 1.034 468 D HN 0.377 nan 8.370 nan 0.000 0.507 469 W N 2.160 123.471 121.300 0.018 0.000 2.721 469 W HA 0.108 4.768 4.660 0.001 0.000 0.245 469 W C 2.190 178.711 176.519 0.003 0.000 1.276 469 W CA 0.081 57.431 57.345 0.009 0.000 1.342 469 W CB 0.445 29.903 29.460 -0.004 0.000 1.135 469 W HN 0.555 nan 8.180 nan 0.000 0.654 470 G N -0.527 108.370 108.800 0.162 0.000 3.042 470 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.212 470 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.212 470 G C 0.305 175.241 174.900 0.060 0.000 1.166 470 G CA -0.211 44.950 45.100 0.101 0.000 0.767 470 G HN -0.027 nan 8.290 nan 0.000 0.546 471 N N 0.711 119.436 118.700 0.041 0.000 2.501 471 N HA 0.170 4.910 4.740 -0.000 0.000 0.245 471 N C 1.175 176.700 175.510 0.024 0.000 0.974 471 N CA -0.414 52.646 53.050 0.018 0.000 0.941 471 N CB 1.663 40.144 38.487 -0.009 0.000 1.122 471 N HN -0.068 nan 8.380 nan 0.000 0.507 472 K N 2.287 122.708 120.400 0.035 0.000 2.074 472 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 472 K C 1.223 177.843 176.600 0.033 0.000 1.048 472 K CA 2.028 58.340 56.287 0.041 0.000 0.926 472 K CB -0.270 32.252 32.500 0.037 0.000 0.713 472 K HN 0.484 nan 8.250 nan 0.000 0.444 473 T N -0.047 114.520 114.554 0.022 0.000 2.746 473 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 473 T C 1.817 176.521 174.700 0.007 0.000 1.039 473 T CA 1.456 63.568 62.100 0.019 0.000 1.142 473 T CB -0.273 68.603 68.868 0.013 0.000 0.866 473 T HN 0.004 nan 8.240 nan 0.000 0.444 474 V N 1.245 121.150 119.914 -0.015 0.000 2.295 474 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 474 V C 2.685 178.740 176.094 -0.065 0.000 1.049 474 V CA 1.262 63.531 62.300 -0.052 0.000 1.024 474 V CB -0.716 31.051 31.823 -0.093 0.000 0.648 474 V HN 0.303 nan 8.190 nan 0.000 0.447 475 V N 0.666 120.559 119.914 -0.034 0.000 2.332 475 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 475 V C 2.360 178.489 176.094 0.058 0.000 1.055 475 V CA 2.120 64.440 62.300 0.032 0.000 1.038 475 V CB -0.918 30.999 31.823 0.157 0.000 0.651 475 V HN 0.567 nan 8.190 nan 0.000 0.450 476 N N 0.522 119.251 118.700 0.048 0.000 2.149 476 N HA -0.144 4.595 4.740 -0.000 0.000 0.188 476 N C 1.470 177.017 175.510 0.061 0.000 1.019 476 N CA 1.229 54.315 53.050 0.060 0.000 0.857 476 N CB -0.407 38.125 38.487 0.075 0.000 0.997 476 N HN 0.409 nan 8.380 nan 0.000 0.426 477 N N 0.120 118.841 118.700 0.034 0.000 2.279 477 N HA 0.225 4.965 4.740 -0.000 0.000 0.226 477 N C 0.827 176.338 175.510 0.003 0.000 1.126 477 N CA -0.093 52.973 53.050 0.026 0.000 0.846 477 N CB 0.438 38.931 38.487 0.010 0.000 1.050 477 N HN 0.112 nan 8.380 nan 0.000 0.502 478 A N 0.547 123.371 122.820 0.005 0.000 1.902 478 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 478 A C 2.148 179.750 177.584 0.030 0.000 1.181 478 A CA 0.856 52.876 52.037 -0.027 0.000 0.623 478 A CB -0.351 18.649 19.000 -0.000 0.000 0.818 478 A HN 0.311 nan 8.150 nan 0.000 0.443 479 I N -0.166 120.449 120.570 0.075 0.000 2.179 479 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 479 I C 2.619 178.792 176.117 0.093 0.000 1.088 479 I CA 1.993 63.361 61.300 0.114 0.000 1.357 479 I CB -0.331 37.720 38.000 0.086 0.000 1.051 479 I HN 0.645 nan 8.210 nan 0.000 0.409 480 E N 1.738 121.957 120.200 0.032 0.000 2.072 480 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 480 E C 2.060 178.588 176.600 -0.120 0.000 0.982 480 E CA 1.412 57.803 56.400 -0.014 0.000 0.803 480 E CB -0.557 29.143 29.700 -0.001 0.000 0.755 480 E HN 0.464 nan 8.360 nan 0.000 0.453 481 I N 0.889 121.381 120.570 -0.130 0.000 2.208 481 I HA -0.243 3.926 4.170 -0.000 0.000 0.245 481 I C 2.068 177.852 176.117 -0.556 0.000 1.097 481 I CA 1.453 62.628 61.300 -0.208 0.000 1.363 481 I CB -0.302 37.637 38.000 -0.102 0.000 1.051 481 I HN 0.140 nan 8.210 nan 0.000 0.413 482 S N -0.044 115.321 115.700 -0.560 0.000 2.481 482 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 482 S C 1.960 175.880 174.600 -1.132 0.000 0.996 482 S CA 0.574 58.125 58.200 -1.082 0.000 0.942 482 S CB -0.308 62.770 63.200 -0.204 0.000 0.768 482 S HN 0.339 nan 8.310 nan 0.000 0.520 483 R N 1.227 121.342 120.500 -0.641 0.000 2.152 483 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 483 R C 2.441 178.353 176.300 -0.646 0.000 1.117 483 R CA 1.245 56.948 56.100 -0.662 0.000 0.981 483 R CB -0.370 29.773 30.300 -0.263 0.000 0.870 483 R HN 0.343 nan 8.270 nan 0.000 0.451 484 S N 0.231 115.552 115.700 -0.631 0.000 2.365 484 S HA -0.199 4.271 4.470 -0.000 0.000 0.221 484 S C 1.594 176.001 174.600 -0.322 0.000 1.037 484 S CA 1.858 59.824 58.200 -0.389 0.000 1.060 484 S CB -0.336 62.710 63.200 -0.256 0.000 0.974 484 S HN 0.655 nan 8.310 nan 0.000 0.427 485 W N 0.946 122.089 121.300 -0.261 0.000 2.494 485 W HA 0.416 5.075 4.660 -0.001 0.000 0.286 485 W C 2.298 178.458 176.519 -0.598 0.000 1.218 485 W CA 0.384 57.435 57.345 -0.490 0.000 1.313 485 W CB -1.274 27.950 29.460 -0.394 0.000 1.105 485 W HN 0.254 nan 8.180 nan 0.000 0.561 486 G N 1.340 109.808 108.800 -0.552 0.000 2.476 486 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.218 486 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.218 486 G C 1.461 176.188 174.900 -0.288 0.000 1.164 486 G CA 1.409 46.295 45.100 -0.358 0.000 0.768 486 G HN 0.445 nan 8.290 nan 0.000 0.560 487 E N 0.316 120.254 120.200 -0.438 0.000 2.152 487 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 487 E C 2.870 179.421 176.600 -0.082 0.000 0.983 487 E CA 0.738 57.033 56.400 -0.174 0.000 0.818 487 E CB -0.016 29.586 29.700 -0.163 0.000 0.758 487 E HN 0.360 nan 8.360 nan 0.000 0.467 488 S N 0.319 115.914 115.700 -0.176 0.000 2.368 488 S HA -0.134 4.335 4.470 -0.000 0.000 0.225 488 S C 1.614 176.217 174.600 0.005 0.000 1.030 488 S CA 1.042 59.175 58.200 -0.111 0.000 0.999 488 S CB -0.167 62.911 63.200 -0.204 0.000 0.844 488 S HN 0.306 nan 8.310 nan 0.000 0.459 489 Y N -0.655 119.582 120.300 -0.104 0.000 2.365 489 Y HA 0.213 4.763 4.550 -0.000 0.000 0.293 489 Y C 1.305 176.852 175.900 -0.588 0.000 1.119 489 Y CA -0.100 57.754 58.100 -0.410 0.000 1.203 489 Y CB -0.303 37.565 38.460 -0.986 0.000 1.026 489 Y HN 0.255 nan 8.280 nan 0.000 0.549 490 F N -2.775 117.311 119.950 0.226 0.000 2.817 490 F HA 0.305 4.832 4.527 -0.000 0.000 0.333 490 F C 1.045 176.892 175.800 0.077 0.000 1.085 490 F CA -0.842 57.238 58.000 0.134 0.000 1.170 490 F CB -0.228 38.944 39.000 0.287 0.000 1.066 490 F HN -0.208 nan 8.300 nan 0.000 0.564 491 L N -0.493 120.845 121.223 0.192 0.000 6.032 491 L HA -0.496 3.844 4.340 -0.000 0.000 0.053 491 L C 1.791 178.786 176.870 0.208 0.000 2.286 491 L CA 1.492 56.419 54.840 0.145 0.000 1.682 491 L CB -1.505 40.605 42.059 0.085 0.000 2.737 491 L HN 0.017 nan 8.230 nan 0.000 0.986 492 S N -0.075 115.728 115.700 0.172 0.000 2.555 492 S HA -0.024 4.445 4.470 -0.000 0.000 0.230 492 S C 1.100 175.836 174.600 0.227 0.000 0.978 492 S CA 0.893 59.199 58.200 0.176 0.000 0.934 492 S CB -0.420 62.853 63.200 0.122 0.000 0.766 492 S HN 0.413 nan 8.310 nan 0.000 0.533 493 N N 0.412 119.299 118.700 0.312 0.000 2.467 493 N HA 0.040 4.780 4.740 -0.000 0.000 0.184 493 N C 1.048 176.811 175.510 0.422 0.000 1.106 493 N CA 0.191 53.490 53.050 0.415 0.000 0.892 493 N CB -0.255 38.544 38.487 0.519 0.000 0.969 493 N HN 0.451 nan 8.380 nan 0.000 0.454 494 Y N 2.219 122.673 120.300 0.257 0.000 2.165 494 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 494 Y C 1.834 177.834 175.900 0.167 0.000 1.155 494 Y CA 1.670 59.901 58.100 0.219 0.000 1.164 494 Y CB -0.102 38.490 38.460 0.219 0.000 0.978 494 Y HN -0.036 nan 8.280 nan 0.000 0.513 495 E N -0.033 120.211 120.200 0.073 0.000 2.051 495 E HA -0.205 4.144 4.350 -0.000 0.000 0.192 495 E C 2.392 178.974 176.600 -0.029 0.000 0.991 495 E CA 1.622 57.992 56.400 -0.050 0.000 0.799 495 E CB -0.357 29.351 29.700 0.012 0.000 0.748 495 E HN 0.392 nan 8.360 nan 0.000 0.449 496 R N 0.241 120.755 120.500 0.023 0.000 2.120 496 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 496 R C 2.097 178.492 176.300 0.158 0.000 1.123 496 R CA 0.830 56.913 56.100 -0.029 0.000 0.975 496 R CB -0.189 29.901 30.300 -0.350 0.000 0.866 496 R HN 0.191 nan 8.270 nan 0.000 0.446 497 L N 0.251 121.640 121.223 0.277 0.000 2.083 497 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 497 L C 2.312 179.330 176.870 0.247 0.000 1.083 497 L CA 1.199 56.226 54.840 0.311 0.000 0.752 497 L CB -0.280 41.889 42.059 0.183 0.000 0.899 497 L HN 0.237 nan 8.230 nan 0.000 0.433 498 I N -0.700 119.884 120.570 0.023 0.000 2.226 498 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 498 I C 2.744 178.889 176.117 0.048 0.000 1.100 498 I CA 1.131 62.417 61.300 -0.024 0.000 1.374 498 I CB -0.307 37.577 38.000 -0.193 0.000 1.057 498 I HN 0.195 nan 8.210 nan 0.000 0.413 499 R N 0.821 121.343 120.500 0.037 0.000 2.083 499 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 499 R C 2.438 178.793 176.300 0.092 0.000 1.137 499 R CA 1.646 57.771 56.100 0.041 0.000 0.951 499 R CB -0.591 29.711 30.300 0.003 0.000 0.851 499 R HN 0.371 nan 8.270 nan 0.000 0.434 500 A N 1.603 124.511 122.820 0.146 0.000 1.930 500 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 500 A C 2.103 179.880 177.584 0.322 0.000 1.175 500 A CA 1.599 53.745 52.037 0.181 0.000 0.627 500 A CB -0.299 18.768 19.000 0.113 0.000 0.815 500 A HN 0.132 nan 8.150 nan 0.000 0.443 501 K N -0.100 120.576 120.400 0.461 0.000 2.063 501 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 501 K C 1.849 178.548 176.600 0.165 0.000 1.048 501 K CA 2.428 58.924 56.287 0.349 0.000 0.928 501 K CB -0.922 31.656 32.500 0.129 0.000 0.713 501 K HN 0.388 nan 8.250 nan 0.000 0.442 502 T N 1.240 115.862 114.554 0.113 0.000 2.788 502 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 502 T C 1.688 176.432 174.700 0.072 0.000 1.044 502 T CA 1.420 63.558 62.100 0.064 0.000 1.139 502 T CB -0.169 68.723 68.868 0.040 0.000 0.867 502 T HN 0.126 nan 8.240 nan 0.000 0.454 503 L N -0.287 120.992 121.223 0.093 0.000 2.046 503 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 503 L C 2.324 179.251 176.870 0.096 0.000 1.077 503 L CA 1.037 55.926 54.840 0.082 0.000 0.747 503 L CB -0.284 41.823 42.059 0.080 0.000 0.896 503 L HN 0.219 nan 8.230 nan 0.000 0.432 504 I N -1.410 119.245 120.570 0.140 0.000 3.708 504 I HA 0.025 4.194 4.170 -0.000 0.000 0.302 504 I C 0.253 176.459 176.117 0.149 0.000 1.255 504 I CA 0.811 62.200 61.300 0.150 0.000 1.362 504 I CB 0.410 38.530 38.000 0.199 0.000 1.100 504 I HN 0.058 nan 8.210 nan 0.000 0.434 505 D N -0.085 120.397 120.400 0.137 0.000 3.060 505 D HA 0.229 4.869 4.640 -0.000 0.000 0.326 505 D C -1.932 174.391 176.300 0.037 0.000 1.253 505 D CA -1.406 52.661 54.000 0.112 0.000 0.737 505 D CB 0.678 41.568 40.800 0.151 0.000 1.260 505 D HN 0.056 nan 8.370 nan 0.000 0.542 506 P HA -0.080 nan 4.420 nan 0.000 0.220 506 P C 0.668 177.946 177.300 -0.037 0.000 1.148 506 P CA 0.706 63.805 63.100 -0.002 0.000 0.803 506 P CB 0.434 32.138 31.700 0.007 0.000 0.782 507 N N -0.520 118.156 118.700 -0.040 0.000 2.336 507 N HA -0.025 4.714 4.740 -0.000 0.000 0.189 507 N C 0.312 175.742 175.510 -0.133 0.000 1.113 507 N CA 0.100 53.107 53.050 -0.073 0.000 0.858 507 N CB -1.015 37.438 38.487 -0.057 0.000 0.970 507 N HN 0.008 nan 8.380 nan 0.000 0.471 508 N N 0.160 118.767 118.700 -0.155 0.000 2.740 508 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 508 N C 0.618 175.937 175.510 -0.319 0.000 1.062 508 N CA 0.153 53.033 53.050 -0.283 0.000 0.704 508 N CB -1.293 36.926 38.487 -0.446 0.000 0.968 508 N HN -0.046 nan 8.380 nan 0.000 0.547 509 V N -0.975 118.781 119.914 -0.262 0.000 2.515 509 V HA -0.048 4.072 4.120 -0.000 0.000 0.250 509 V C 0.901 176.612 176.094 -0.639 0.000 1.058 509 V CA 1.475 63.508 62.300 -0.445 0.000 1.064 509 V CB -0.396 31.118 31.823 -0.514 0.000 0.675 509 V HN 0.347 nan 8.190 nan 0.000 0.461 510 F N 2.023 121.867 119.950 -0.177 0.000 2.313 510 F HA 0.473 4.999 4.527 -0.000 0.000 0.369 510 F C 0.263 175.894 175.800 -0.281 0.000 1.109 510 F CA -0.816 57.083 58.000 -0.167 0.000 1.132 510 F CB 0.167 39.090 39.000 -0.127 0.000 1.291 510 F HN 0.292 nan 8.300 nan 0.000 0.496 511 N N 1.020 119.616 118.700 -0.173 0.000 2.396 511 N HA 0.757 5.497 4.740 -0.000 0.000 0.275 511 N C -1.203 174.276 175.510 -0.052 0.000 1.218 511 N CA -0.895 51.951 53.050 -0.341 0.000 0.812 511 N CB 2.137 40.101 38.487 -0.871 0.000 1.592 511 N HN 0.513 nan 8.380 nan 0.000 0.480 512 H N -3.493 115.648 119.070 0.118 0.000 2.902 512 H HA 0.498 5.053 4.556 -0.001 0.000 0.297 512 H C -2.765 172.755 175.328 0.321 0.000 1.406 512 H CA -1.510 54.633 56.048 0.158 0.000 1.134 512 H CB 0.321 30.094 29.762 0.018 0.000 1.833 512 H HN 0.271 nan 8.280 nan 0.000 0.527 513 P HA -0.075 nan 4.420 nan 0.000 0.219 513 P C 0.174 177.492 177.300 0.030 0.000 1.146 513 P CA 1.530 64.699 63.100 0.115 0.000 0.808 513 P CB 0.265 31.951 31.700 -0.024 0.000 0.779 514 Q N -0.985 118.915 119.800 0.167 0.000 2.155 514 Q HA 0.163 4.503 4.340 -0.000 0.000 0.273 514 Q C -0.175 175.932 176.000 0.178 0.000 0.857 514 Q CA -0.215 55.645 55.803 0.095 0.000 1.116 514 Q CB 0.503 29.155 28.738 -0.143 0.000 1.209 514 Q HN 0.190 nan 8.270 nan 0.000 0.460 515 S N -0.275 115.260 115.700 -0.274 0.000 2.592 515 S HA 0.310 4.779 4.470 -0.000 0.000 0.271 515 S C 0.544 175.237 174.600 0.156 0.000 1.326 515 S CA -0.707 57.301 58.200 -0.319 0.000 1.024 515 S CB 1.090 63.955 63.200 -0.558 0.000 0.921 515 S HN 0.157 nan 8.310 nan 0.000 0.527 516 I N 3.015 123.617 120.570 0.053 0.000 2.668 516 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 516 I C -2.107 174.067 176.117 0.096 0.000 1.168 516 I CA -1.731 59.650 61.300 0.134 0.000 1.424 516 I CB -0.672 37.317 38.000 -0.018 0.000 1.377 516 I HN 0.459 nan 8.210 nan 0.000 0.560 517 P HA 0.260 nan 4.420 nan 0.000 0.274 517 P C -2.457 174.888 177.300 0.076 0.000 1.231 517 P CA -1.274 61.977 63.100 0.251 0.000 0.790 517 P CB 0.079 31.997 31.700 0.362 0.000 0.951 518 P HA 0.149 nan 4.420 nan 0.000 0.274 518 P C -0.017 177.288 177.300 0.008 0.000 1.246 518 P CA -0.118 62.983 63.100 0.002 0.000 0.795 518 P CB 0.264 31.946 31.700 -0.030 0.000 1.006 519 M N 0.342 119.939 119.600 -0.007 0.000 2.252 519 M HA 0.126 4.605 4.480 -0.000 0.000 0.329 519 M C 0.788 177.050 176.300 -0.063 0.000 1.101 519 M CA 0.033 55.322 55.300 -0.018 0.000 1.117 519 M CB -0.396 32.199 32.600 -0.009 0.000 1.563 519 M HN 0.419 nan 8.290 nan 0.000 0.445 520 A N 4.091 126.862 122.820 -0.083 0.000 2.511 520 A HA 0.143 4.463 4.320 -0.000 0.000 0.242 520 A C 0.293 177.630 177.584 -0.411 0.000 1.069 520 A CA -0.137 51.738 52.037 -0.270 0.000 0.763 520 A CB -0.094 18.789 19.000 -0.196 0.000 1.001 520 A HN 0.899 nan 8.150 nan 0.000 0.498 521 N N 1.477 119.807 118.700 -0.616 0.000 2.269 521 N HA 0.572 5.312 4.740 -0.000 0.000 0.304 521 N C -1.521 173.563 175.510 -0.710 0.000 1.072 521 N CA -0.356 52.427 53.050 -0.445 0.000 0.802 521 N CB 1.109 39.473 38.487 -0.206 0.000 1.348 521 N HN 0.399 nan 8.380 nan 0.000 0.484 522 F N 0.562 120.523 119.950 0.019 0.000 2.810 522 F HA 0.323 4.849 4.527 -0.001 0.000 0.353 522 F C 0.279 176.088 175.800 0.014 0.000 1.227 522 F CA -0.690 57.320 58.000 0.017 0.000 1.210 522 F CB 0.284 39.293 39.000 0.015 0.000 1.039 522 F HN 0.220 nan 8.300 nan 0.000 0.509 523 D N 0.000 120.459 120.400 0.098 0.000 6.856 523 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 523 D CA 0.000 54.042 54.000 0.070 0.000 0.868 523 D CB 0.000 40.821 40.800 0.035 0.000 0.688 523 D HN 0.000 nan 8.370 nan 0.000 0.683