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 2q6h_1_A DATA FIRST_RESID 3 DATA SEQUENCE VKREHWATRL GLILAMAGNA VGLGNFLRFP VQAAENGGGA FMIPYIIAFL DATA SEQUENCE LVGIPLMWIE WAMGRYGGAQ GHGTTPAIFY LLWRNRFAKI LGVFGLWIPL DATA SEQUENCE VVAIYYVYIE SWTLGFAIKF LVGLVPEPPP XXTDPDSILR PFKEFLYSYI DATA SEQUENCE GVPKGDEPIL KPSLFAYIVF LITMFINVSI LIRGISKGIE RFAKIAMPTL DATA SEQUENCE FILAVFLVIR VFLLETPNGT AADGLNFLWT PDFEKLKDPG VWIAAVGQIF DATA SEQUENCE FTLSLGFGAI ITYASYVRKD QDIVLSGLTA ATLNEKAEVI LGGSISIPAA DATA SEQUENCE VAFFGVANAV AIAKAGAFNL GFITLPAIFS QTAGGTFLGF LWFFLLFFAG DATA SEQUENCE LTSSIAIMQP MIAFLEDELK LSRKHAVLWT AAIVFFSAHL VMFLNKSLDE DATA SEQUENCE MDFWAGTIGV VFFGLTELII FFWIFGADKA WEEINRGGII KVPRIYYYVM DATA SEQUENCE RYITPAFLAV LLVVWAREYI PKIMEETHWT VWITRFYIIG LFLFLTFLVF DATA SEQUENCE LAERRRNHES AGTL 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.055 176.094 -0.065 0.000 1.182 3 V CA 0.000 62.261 62.300 -0.066 0.000 1.235 3 V CB 0.000 31.769 31.823 -0.090 0.000 1.184 4 K N -0.863 119.496 120.400 -0.068 0.000 4.450 4 K HA 0.600 4.923 4.320 0.006 0.000 0.247 4 K C 0.065 176.592 176.600 -0.121 0.000 1.242 4 K CA -0.191 56.056 56.287 -0.067 0.000 1.820 4 K CB 1.472 33.965 32.500 -0.012 0.000 2.701 4 K HN 0.651 nan 8.250 nan 0.000 0.569 5 R N 1.337 121.728 120.500 -0.181 0.000 2.892 5 R HA 0.226 4.569 4.340 0.006 0.000 0.265 5 R C -0.741 175.233 176.300 -0.543 0.000 1.025 5 R CA -0.468 55.437 56.100 -0.325 0.000 0.982 5 R CB 1.910 32.003 30.300 -0.345 0.000 1.185 5 R HN 0.268 nan 8.270 nan 0.000 0.484 6 E N 0.996 120.963 120.200 -0.389 0.000 2.392 6 E HA 0.097 4.451 4.350 0.006 0.000 0.259 6 E C -0.827 175.420 176.600 -0.588 0.000 1.108 6 E CA 0.093 56.237 56.400 -0.428 0.000 0.916 6 E CB 0.643 30.052 29.700 -0.485 0.000 0.989 6 E HN 0.396 nan 8.360 nan 0.000 0.432 7 H N 0.715 119.668 119.070 -0.194 0.000 2.961 7 H HA 0.133 4.692 4.556 0.006 0.000 0.371 7 H C -0.991 174.204 175.328 -0.221 0.000 1.190 7 H CA -0.731 55.226 56.048 -0.152 0.000 1.138 7 H CB 0.457 30.211 29.762 -0.013 0.000 1.816 7 H HN 0.499 nan 8.280 nan 0.000 0.551 8 W N 1.189 122.571 121.300 0.136 0.000 2.264 8 W HA 0.266 4.930 4.660 0.006 0.000 0.331 8 W C 1.332 177.881 176.519 0.049 0.000 1.364 8 W CA 0.040 57.408 57.345 0.039 0.000 1.253 8 W CB 0.480 29.967 29.460 0.046 0.000 1.215 8 W HN 0.768 nan 8.180 nan 0.000 0.561 9 A N 2.493 125.445 122.820 0.219 0.000 1.873 9 A HA -0.029 4.294 4.320 0.006 0.000 0.215 9 A C 1.131 178.794 177.584 0.131 0.000 1.186 9 A CA 1.798 53.914 52.037 0.133 0.000 0.616 9 A CB -0.804 18.245 19.000 0.081 0.000 0.823 9 A HN 0.567 nan 8.150 nan 0.000 0.442 10 T N -4.985 109.655 114.554 0.144 0.000 2.930 10 T HA 0.557 4.911 4.350 0.006 0.000 0.290 10 T C 0.415 175.174 174.700 0.098 0.000 1.052 10 T CA -0.305 61.855 62.100 0.099 0.000 1.017 10 T CB 1.971 70.878 68.868 0.066 0.000 1.137 10 T HN 0.220 nan 8.240 nan 0.000 0.511 11 R N -0.302 120.236 120.500 0.064 0.000 2.090 11 R HA 0.089 4.432 4.340 0.006 0.000 0.228 11 R C 2.096 178.404 176.300 0.014 0.000 1.110 11 R CA 0.940 57.067 56.100 0.045 0.000 0.973 11 R CB -0.582 29.739 30.300 0.035 0.000 0.869 11 R HN 0.602 nan 8.270 nan 0.000 0.440 12 L N 0.058 121.288 121.223 0.012 0.000 2.056 12 L HA 0.082 4.425 4.340 0.006 0.000 0.207 12 L C 2.065 178.924 176.870 -0.018 0.000 1.078 12 L CA 2.325 57.160 54.840 -0.007 0.000 0.749 12 L CB -1.010 41.047 42.059 -0.003 0.000 0.901 12 L HN 0.256 nan 8.230 nan 0.000 0.433 13 G N -0.302 108.503 108.800 0.008 0.000 2.418 13 G HA2 -0.287 3.676 3.960 0.006 0.000 0.217 13 G HA3 -0.287 3.676 3.960 0.006 0.000 0.217 13 G C 1.574 176.418 174.900 -0.094 0.000 1.158 13 G CA 0.980 46.089 45.100 0.014 0.000 0.771 13 G HN 0.440 nan 8.290 nan 0.000 0.545 14 L N 0.766 121.898 121.223 -0.151 0.000 2.017 14 L HA -0.015 4.329 4.340 0.006 0.000 0.208 14 L C 2.505 179.171 176.870 -0.340 0.000 1.073 14 L CA 1.456 55.990 54.840 -0.510 0.000 0.745 14 L CB -0.370 41.498 42.059 -0.317 0.000 0.894 14 L HN 0.107 nan 8.230 nan 0.000 0.432 15 I N -0.448 120.053 120.570 -0.114 0.000 2.252 15 I HA -0.262 3.911 4.170 0.006 0.000 0.245 15 I C 2.558 178.644 176.117 -0.051 0.000 1.102 15 I CA 1.382 62.663 61.300 -0.031 0.000 1.385 15 I CB -1.182 36.807 38.000 -0.019 0.000 1.064 15 I HN 0.333 nan 8.210 nan 0.000 0.414 16 L N 0.388 121.567 121.223 -0.072 0.000 2.156 16 L HA -0.086 4.257 4.340 0.006 0.000 0.208 16 L C 2.752 179.590 176.870 -0.054 0.000 1.095 16 L CA 0.955 55.761 54.840 -0.057 0.000 0.770 16 L CB -0.625 41.402 42.059 -0.054 0.000 0.914 16 L HN 0.154 nan 8.230 nan 0.000 0.439 17 A N -0.197 122.556 122.820 -0.111 0.000 1.898 17 A HA -0.170 4.153 4.320 0.006 0.000 0.216 17 A C 2.326 179.946 177.584 0.059 0.000 1.181 17 A CA 1.255 53.260 52.037 -0.053 0.000 0.620 17 A CB -0.289 18.523 19.000 -0.315 0.000 0.819 17 A HN 0.224 nan 8.150 nan 0.000 0.442 18 M N -0.474 119.092 119.600 -0.055 0.000 2.175 18 M HA -0.073 4.410 4.480 0.006 0.000 0.264 18 M C 2.491 178.795 176.300 0.006 0.000 1.063 18 M CA 1.502 56.805 55.300 0.005 0.000 1.119 18 M CB -1.236 31.406 32.600 0.071 0.000 1.377 18 M HN 0.495 nan 8.290 nan 0.000 0.415 19 A N 0.080 122.906 122.820 0.009 0.000 1.930 19 A HA 0.015 4.339 4.320 0.006 0.000 0.217 19 A C 2.362 179.943 177.584 -0.006 0.000 1.175 19 A CA 1.829 53.867 52.037 0.002 0.000 0.627 19 A CB -1.246 17.750 19.000 -0.007 0.000 0.815 19 A HN 0.519 nan 8.150 nan 0.000 0.443 20 G N -0.066 108.734 108.800 0.000 0.000 2.421 20 G HA2 -0.234 3.729 3.960 0.006 0.000 0.217 20 G HA3 -0.234 3.729 3.960 0.006 0.000 0.217 20 G C 1.517 176.400 174.900 -0.029 0.000 1.143 20 G CA 0.996 46.099 45.100 0.006 0.000 0.784 20 G HN 0.547 nan 8.290 nan 0.000 0.541 21 N N 1.741 120.399 118.700 -0.070 0.000 2.043 21 N HA -0.111 4.632 4.740 0.006 0.000 0.193 21 N C 2.435 177.807 175.510 -0.230 0.000 1.037 21 N CA 1.837 54.745 53.050 -0.237 0.000 0.851 21 N CB -0.452 37.777 38.487 -0.430 0.000 1.027 21 N HN 0.229 nan 8.380 nan 0.000 0.422 22 A N 1.141 123.869 122.820 -0.152 0.000 1.854 22 A HA 0.081 4.404 4.320 0.006 0.000 0.214 22 A C 1.052 178.596 177.584 -0.068 0.000 1.192 22 A CA 0.618 52.582 52.037 -0.122 0.000 0.611 22 A CB -0.716 18.247 19.000 -0.062 0.000 0.832 22 A HN 0.100 nan 8.150 nan 0.000 0.442 23 V N 0.880 120.782 119.914 -0.021 0.000 2.403 23 V HA 0.490 4.614 4.120 0.006 0.000 0.265 23 V C 0.820 176.973 176.094 0.097 0.000 1.034 23 V CA 0.451 62.771 62.300 0.034 0.000 1.036 23 V CB -0.326 31.541 31.823 0.072 0.000 1.032 23 V HN 0.654 nan 8.190 nan 0.000 0.478 24 G N 2.949 111.832 108.800 0.139 0.000 2.896 24 G HA2 0.405 4.368 3.960 0.006 0.000 0.247 24 G HA3 0.405 4.368 3.960 0.006 0.000 0.247 24 G C 0.340 175.429 174.900 0.314 0.000 1.187 24 G CA -0.790 44.450 45.100 0.234 0.000 0.837 24 G HN 0.434 nan 8.290 nan 0.000 0.559 25 L N 0.988 122.405 121.223 0.323 0.000 2.187 25 L HA -0.013 4.330 4.340 0.006 0.000 0.213 25 L C 2.925 179.995 176.870 0.334 0.000 1.100 25 L CA 1.403 56.394 54.840 0.251 0.000 0.765 25 L CB -0.565 41.519 42.059 0.041 0.000 0.904 25 L HN 0.628 nan 8.230 nan 0.000 0.437 26 G N 0.157 109.235 108.800 0.464 0.000 2.432 26 G HA2 -0.241 3.723 3.960 0.006 0.000 0.219 26 G HA3 -0.241 3.723 3.960 0.006 0.000 0.219 26 G C 1.307 176.361 174.900 0.257 0.000 1.135 26 G CA 0.838 46.230 45.100 0.487 0.000 0.767 26 G HN 0.400 nan 8.290 nan 0.000 0.550 27 N N 0.153 118.896 118.700 0.070 0.000 2.171 27 N HA 0.022 4.766 4.740 0.006 0.000 0.184 27 N C 1.508 176.825 175.510 -0.323 0.000 1.021 27 N CA 0.945 53.841 53.050 -0.256 0.000 0.854 27 N CB -0.267 37.827 38.487 -0.655 0.000 0.994 27 N HN 0.372 nan 8.380 nan 0.000 0.426 28 F N -0.465 119.585 119.950 0.166 0.000 2.656 28 F HA 0.336 4.866 4.527 0.005 0.000 0.291 28 F C 1.630 177.568 175.800 0.230 0.000 1.122 28 F CA 0.246 58.362 58.000 0.194 0.000 1.427 28 F CB 0.133 39.160 39.000 0.045 0.000 1.125 28 F HN -0.057 nan 8.300 nan 0.000 0.583 29 L N -1.413 119.993 121.223 0.304 0.000 2.519 29 L HA 0.189 4.533 4.340 0.006 0.000 0.194 29 L C 2.431 179.390 176.870 0.148 0.000 1.072 29 L CA 0.246 55.233 54.840 0.245 0.000 0.845 29 L CB -0.340 41.870 42.059 0.251 0.000 1.138 29 L HN -0.165 nan 8.230 nan 0.000 0.487 30 R N 0.090 120.668 120.500 0.130 0.000 2.062 30 R HA -0.172 4.172 4.340 0.006 0.000 0.231 30 R C 2.376 178.688 176.300 0.021 0.000 1.136 30 R CA 1.741 57.858 56.100 0.028 0.000 0.948 30 R CB -0.304 29.983 30.300 -0.021 0.000 0.845 30 R HN 0.128 nan 8.270 nan 0.000 0.430 31 F N 1.940 121.872 119.950 -0.030 0.000 2.065 31 F HA -0.108 4.422 4.527 0.005 0.000 0.298 31 F C -1.189 174.499 175.800 -0.188 0.000 1.112 31 F CA 1.368 59.310 58.000 -0.096 0.000 1.212 31 F CB -1.044 37.907 39.000 -0.080 0.000 0.975 31 F HN 0.043 nan 8.300 nan 0.000 0.476 32 P HA -0.168 nan 4.420 nan 0.000 0.215 32 P C 2.117 179.214 177.300 -0.339 0.000 1.153 32 P CA 1.943 64.870 63.100 -0.289 0.000 0.853 32 P CB -0.055 31.635 31.700 -0.016 0.000 0.788 33 V N -0.193 119.573 119.914 -0.246 0.000 2.270 33 V HA -0.251 3.872 4.120 0.006 0.000 0.245 33 V C 2.558 178.427 176.094 -0.375 0.000 1.043 33 V CA 1.729 63.884 62.300 -0.242 0.000 1.014 33 V CB -1.192 30.526 31.823 -0.175 0.000 0.645 33 V HN 0.127 nan 8.190 nan 0.000 0.447 34 Q N 0.058 119.569 119.800 -0.482 0.000 2.061 34 Q HA -0.206 4.137 4.340 0.006 0.000 0.204 34 Q C 2.425 177.714 176.000 -1.184 0.000 0.984 34 Q CA 2.150 57.532 55.803 -0.702 0.000 0.846 34 Q CB -0.795 27.556 28.738 -0.644 0.000 0.902 34 Q HN 0.651 nan 8.270 nan 0.000 0.421 35 A N 1.208 123.193 122.820 -1.392 0.000 1.858 35 A HA -0.064 4.259 4.320 0.006 0.000 0.216 35 A C 2.388 179.590 177.584 -0.637 0.000 1.190 35 A CA 2.110 53.364 52.037 -1.305 0.000 0.617 35 A CB -0.885 17.355 19.000 -1.267 0.000 0.827 35 A HN 0.379 nan 8.150 nan 0.000 0.443 36 A N -0.566 122.019 122.820 -0.392 0.000 1.908 36 A HA -0.211 4.112 4.320 0.006 0.000 0.218 36 A C 1.994 179.543 177.584 -0.058 0.000 1.181 36 A CA 1.917 53.939 52.037 -0.025 0.000 0.627 36 A CB -0.578 18.402 19.000 -0.032 0.000 0.818 36 A HN 0.665 nan 8.150 nan 0.000 0.445 37 E N -0.170 119.907 120.200 -0.206 0.000 2.204 37 E HA -0.118 4.236 4.350 0.006 0.000 0.194 37 E C 0.340 176.854 176.600 -0.144 0.000 0.989 37 E CA 0.899 57.198 56.400 -0.169 0.000 0.824 37 E CB -0.012 29.560 29.700 -0.213 0.000 0.756 37 E HN 0.568 nan 8.360 nan 0.000 0.477 38 N N -0.532 118.041 118.700 -0.211 0.000 2.389 38 N HA 0.102 4.845 4.740 0.006 0.000 0.260 38 N C 0.011 175.473 175.510 -0.080 0.000 1.191 38 N CA 0.659 53.638 53.050 -0.119 0.000 0.885 38 N CB 1.432 39.876 38.487 -0.073 0.000 1.162 38 N HN 0.232 nan 8.380 nan 0.000 0.512 39 G N 0.441 109.212 108.800 -0.049 0.000 2.143 39 G HA2 -0.291 3.672 3.960 0.006 0.000 0.248 39 G HA3 -0.291 3.672 3.960 0.006 0.000 0.248 39 G C 0.972 175.657 174.900 -0.359 0.000 0.991 39 G CA 0.528 45.598 45.100 -0.051 0.000 0.689 39 G HN 0.669 nan 8.290 nan 0.000 0.522 40 G N -0.139 108.340 108.800 -0.536 0.000 2.793 40 G HA2 -0.096 3.868 3.960 0.006 0.000 0.334 40 G HA3 -0.096 3.868 3.960 0.006 0.000 0.334 40 G C 2.219 176.737 174.900 -0.638 0.000 1.186 40 G CA 2.181 46.694 45.100 -0.979 0.000 0.960 40 G HN 1.964 nan 8.290 nan 0.000 0.562 41 G N 0.584 108.983 108.800 -0.668 0.000 2.485 41 G HA2 0.169 4.132 3.960 0.006 0.000 0.221 41 G HA3 0.169 4.132 3.960 0.006 0.000 0.221 41 G C 2.042 176.751 174.900 -0.318 0.000 1.115 41 G CA 2.798 47.641 45.100 -0.428 0.000 0.751 41 G HN 1.811 nan 8.290 nan 0.000 0.567 42 A N -0.115 122.539 122.820 -0.277 0.000 2.066 42 A HA 0.201 4.524 4.320 0.006 0.000 0.218 42 A C 2.012 179.495 177.584 -0.169 0.000 1.157 42 A CA 1.216 53.130 52.037 -0.205 0.000 0.670 42 A CB -0.358 18.559 19.000 -0.139 0.000 0.804 42 A HN 0.433 nan 8.150 nan 0.000 0.453 43 F N -0.261 119.493 119.950 -0.327 0.000 2.335 43 F HA -0.012 4.518 4.527 0.004 0.000 0.296 43 F C 2.020 177.664 175.800 -0.260 0.000 1.091 43 F CA 1.107 58.924 58.000 -0.305 0.000 1.399 43 F CB -0.075 38.715 39.000 -0.349 0.000 1.067 43 F HN 0.056 nan 8.300 nan 0.000 0.520 44 M N 0.219 119.655 119.600 -0.273 0.000 2.159 44 M HA -0.186 4.298 4.480 0.006 0.000 0.263 44 M C 2.199 178.393 176.300 -0.178 0.000 1.063 44 M CA 1.137 56.280 55.300 -0.262 0.000 1.110 44 M CB -1.171 31.250 32.600 -0.299 0.000 1.374 44 M HN 0.163 nan 8.290 nan 0.000 0.411 45 I N 0.376 120.821 120.570 -0.207 0.000 2.113 45 I HA -0.185 3.988 4.170 0.006 0.000 0.238 45 I C -0.335 175.627 176.117 -0.259 0.000 1.070 45 I CA 1.700 62.917 61.300 -0.139 0.000 1.332 45 I CB -2.824 35.123 38.000 -0.089 0.000 1.044 45 I HN 0.112 nan 8.210 nan 0.000 0.402 46 P HA -0.202 nan 4.420 nan 0.000 0.216 46 P C 1.875 178.872 177.300 -0.506 0.000 1.150 46 P CA 1.349 63.848 63.100 -1.001 0.000 0.837 46 P CB -0.208 30.571 31.700 -1.535 0.000 0.786 47 Y N 0.345 120.274 120.300 -0.619 0.000 2.114 47 Y HA -0.197 4.356 4.550 0.006 0.000 0.284 47 Y C 2.081 177.894 175.900 -0.146 0.000 1.143 47 Y CA 1.562 59.392 58.100 -0.450 0.000 1.135 47 Y CB -0.922 37.186 38.460 -0.587 0.000 0.980 47 Y HN -0.190 nan 8.280 nan 0.000 0.499 48 I N -0.221 120.357 120.570 0.014 0.000 2.286 48 I HA -0.330 3.844 4.170 0.006 0.000 0.248 48 I C 2.278 178.423 176.117 0.047 0.000 1.115 48 I CA 1.506 62.846 61.300 0.066 0.000 1.392 48 I CB -0.389 37.692 38.000 0.136 0.000 1.065 48 I HN 0.276 nan 8.210 nan 0.000 0.418 49 I N 0.699 121.274 120.570 0.008 0.000 2.252 49 I HA -0.255 3.918 4.170 0.006 0.000 0.245 49 I C 2.793 178.893 176.117 -0.029 0.000 1.102 49 I CA 1.226 62.548 61.300 0.038 0.000 1.385 49 I CB -0.425 37.670 38.000 0.159 0.000 1.064 49 I HN 0.173 nan 8.210 nan 0.000 0.414 50 A N 0.670 123.471 122.820 -0.030 0.000 1.933 50 A HA -0.257 4.066 4.320 0.006 0.000 0.218 50 A C 2.210 179.729 177.584 -0.107 0.000 1.175 50 A CA 1.370 53.385 52.037 -0.036 0.000 0.628 50 A CB -0.902 18.135 19.000 0.062 0.000 0.814 50 A HN 0.454 nan 8.150 nan 0.000 0.444 51 F N 0.643 120.418 119.950 -0.292 0.000 2.134 51 F HA -0.114 4.416 4.527 0.006 0.000 0.299 51 F C 1.822 177.508 175.800 -0.190 0.000 1.097 51 F CA 1.619 59.442 58.000 -0.295 0.000 1.264 51 F CB -0.302 38.492 39.000 -0.342 0.000 1.001 51 F HN 0.140 nan 8.300 nan 0.000 0.479 52 L N -0.516 120.562 121.223 -0.241 0.000 2.072 52 L HA -0.149 4.195 4.340 0.006 0.000 0.205 52 L C 2.249 179.051 176.870 -0.113 0.000 1.079 52 L CA 0.985 55.697 54.840 -0.213 0.000 0.752 52 L CB -0.580 41.459 42.059 -0.033 0.000 0.906 52 L HN 0.170 nan 8.230 nan 0.000 0.436 53 L N -1.710 119.411 121.223 -0.171 0.000 2.477 53 L HA 0.019 4.362 4.340 0.006 0.000 0.220 53 L C 1.723 178.465 176.870 -0.214 0.000 1.106 53 L CA 0.057 54.782 54.840 -0.192 0.000 0.851 53 L CB 0.304 42.133 42.059 -0.383 0.000 0.994 53 L HN 0.046 nan 8.230 nan 0.000 0.462 54 V N -1.475 118.292 119.914 -0.244 0.000 3.029 54 V HA 0.202 4.325 4.120 0.006 0.000 0.230 54 V C 2.301 178.200 176.094 -0.325 0.000 1.254 54 V CA 0.943 63.116 62.300 -0.212 0.000 1.276 54 V CB -0.267 31.503 31.823 -0.087 0.000 1.080 54 V HN 0.292 nan 8.190 nan 0.000 0.495 55 G N 0.904 109.490 108.800 -0.357 0.000 2.545 55 G HA2 -0.240 3.723 3.960 0.006 0.000 0.217 55 G HA3 -0.240 3.723 3.960 0.006 0.000 0.217 55 G C 1.526 176.111 174.900 -0.525 0.000 1.218 55 G CA 1.530 46.401 45.100 -0.382 0.000 0.787 55 G HN 0.419 nan 8.290 nan 0.000 0.571 56 I N 2.066 122.143 120.570 -0.820 0.000 2.142 56 I HA -0.122 4.051 4.170 0.006 0.000 0.240 56 I C 0.198 175.785 176.117 -0.883 0.000 1.078 56 I CA 1.319 62.002 61.300 -1.029 0.000 1.343 56 I CB -0.952 36.320 38.000 -1.212 0.000 1.046 56 I HN 0.221 nan 8.210 nan 0.000 0.405 57 P HA -0.174 nan 4.420 nan 0.000 0.216 57 P C 2.020 179.227 177.300 -0.156 0.000 1.153 57 P CA 1.667 64.611 63.100 -0.260 0.000 0.848 57 P CB -0.064 31.564 31.700 -0.121 0.000 0.787 58 L N -1.824 119.274 121.223 -0.208 0.000 2.141 58 L HA -0.132 4.211 4.340 0.006 0.000 0.209 58 L C 2.829 179.655 176.870 -0.073 0.000 1.094 58 L CA 1.150 55.911 54.840 -0.132 0.000 0.763 58 L CB -0.723 41.221 42.059 -0.192 0.000 0.908 58 L HN -0.017 nan 8.230 nan 0.000 0.437 59 M N -0.574 118.927 119.600 -0.166 0.000 2.086 59 M HA -0.242 4.242 4.480 0.006 0.000 0.261 59 M C 1.987 178.349 176.300 0.104 0.000 1.067 59 M CA 1.998 57.263 55.300 -0.058 0.000 1.116 59 M CB -0.539 31.899 32.600 -0.269 0.000 1.348 59 M HN 0.152 nan 8.290 nan 0.000 0.407 60 W N 0.349 121.596 121.300 -0.089 0.000 2.358 60 W HA -0.133 4.530 4.660 0.006 0.000 0.303 60 W C 2.353 178.894 176.519 0.036 0.000 1.208 60 W CA 1.267 58.556 57.345 -0.093 0.000 1.274 60 W CB -1.233 28.114 29.460 -0.187 0.000 1.138 60 W HN 0.277 nan 8.180 nan 0.000 0.515 61 I N 0.193 120.917 120.570 0.255 0.000 2.208 61 I HA -0.300 3.873 4.170 0.006 0.000 0.245 61 I C 2.251 178.365 176.117 -0.006 0.000 1.097 61 I CA 1.539 62.936 61.300 0.163 0.000 1.363 61 I CB -0.508 37.581 38.000 0.147 0.000 1.051 61 I HN -0.021 nan 8.210 nan 0.000 0.413 62 E N -0.300 119.945 120.200 0.075 0.000 2.106 62 E HA -0.225 4.129 4.350 0.006 0.000 0.192 62 E C 2.046 178.706 176.600 0.099 0.000 0.984 62 E CA 1.226 57.654 56.400 0.047 0.000 0.806 62 E CB -0.131 29.614 29.700 0.074 0.000 0.750 62 E HN 0.484 nan 8.360 nan 0.000 0.458 63 W N 1.044 122.348 121.300 0.007 0.000 2.358 63 W HA -0.134 4.529 4.660 0.005 0.000 0.303 63 W C 2.553 179.087 176.519 0.025 0.000 1.208 63 W CA 1.419 58.791 57.345 0.045 0.000 1.274 63 W CB -0.499 29.014 29.460 0.088 0.000 1.138 63 W HN 0.074 nan 8.180 nan 0.000 0.515 64 A N -0.346 122.613 122.820 0.232 0.000 1.877 64 A HA -0.218 4.105 4.320 0.006 0.000 0.216 64 A C 1.954 179.502 177.584 -0.060 0.000 1.186 64 A CA 1.998 54.098 52.037 0.105 0.000 0.620 64 A CB -0.883 18.191 19.000 0.124 0.000 0.822 64 A HN 0.246 nan 8.150 nan 0.000 0.443 65 M N -0.548 118.858 119.600 -0.322 0.000 2.108 65 M HA -0.120 4.363 4.480 0.006 0.000 0.261 65 M C 2.304 178.589 176.300 -0.024 0.000 1.066 65 M CA 1.507 56.613 55.300 -0.324 0.000 1.107 65 M CB -0.633 31.740 32.600 -0.378 0.000 1.356 65 M HN 0.522 nan 8.290 nan 0.000 0.406 66 G N -0.060 108.737 108.800 -0.005 0.000 2.404 66 G HA2 -0.221 3.742 3.960 0.006 0.000 0.215 66 G HA3 -0.221 3.742 3.960 0.006 0.000 0.215 66 G C 1.572 176.497 174.900 0.041 0.000 1.174 66 G CA 0.810 45.914 45.100 0.008 0.000 0.780 66 G HN 0.387 nan 8.290 nan 0.000 0.537 67 R N -0.964 119.597 120.500 0.102 0.000 2.081 67 R HA -0.147 4.197 4.340 0.006 0.000 0.235 67 R C 2.265 178.647 176.300 0.136 0.000 1.131 67 R CA 1.526 57.707 56.100 0.135 0.000 0.960 67 R CB -0.564 29.853 30.300 0.196 0.000 0.856 67 R HN 0.417 nan 8.270 nan 0.000 0.436 68 Y N 0.386 120.706 120.300 0.035 0.000 2.128 68 Y HA -0.123 4.430 4.550 0.006 0.000 0.284 68 Y C 2.123 178.044 175.900 0.034 0.000 1.154 68 Y CA 2.051 60.174 58.100 0.039 0.000 1.149 68 Y CB -0.763 37.705 38.460 0.013 0.000 0.976 68 Y HN 0.177 nan 8.280 nan 0.000 0.505 69 G N -0.821 108.034 108.800 0.092 0.000 2.402 69 G HA2 -0.209 3.755 3.960 0.006 0.000 0.216 69 G HA3 -0.209 3.755 3.960 0.006 0.000 0.216 69 G C 1.910 176.792 174.900 -0.030 0.000 1.162 69 G CA 0.683 45.802 45.100 0.032 0.000 0.777 69 G HN 0.618 nan 8.290 nan 0.000 0.539 70 G N 1.216 109.985 108.800 -0.052 0.000 2.442 70 G HA2 0.002 3.966 3.960 0.006 0.000 0.219 70 G HA3 0.002 3.966 3.960 0.006 0.000 0.219 70 G C 2.031 176.891 174.900 -0.066 0.000 1.141 70 G CA 1.487 46.527 45.100 -0.100 0.000 0.763 70 G HN 0.657 nan 8.290 nan 0.000 0.554 71 A N 0.067 122.858 122.820 -0.048 0.000 2.024 71 A HA -0.070 4.253 4.320 0.006 0.000 0.220 71 A C 2.158 179.693 177.584 -0.082 0.000 1.164 71 A CA 1.703 53.712 52.037 -0.047 0.000 0.643 71 A CB -0.198 18.762 19.000 -0.067 0.000 0.806 71 A HN 0.509 nan 8.150 nan 0.000 0.451 72 Q N -1.852 117.881 119.800 -0.112 0.000 2.198 72 Q HA 0.333 4.677 4.340 0.006 0.000 0.209 72 Q C 0.772 176.663 176.000 -0.182 0.000 0.848 72 Q CA 0.226 55.977 55.803 -0.086 0.000 0.974 72 Q CB 0.510 29.233 28.738 -0.024 0.000 1.115 72 Q HN 0.835 nan 8.270 nan 0.000 0.494 73 G N 1.685 110.343 108.800 -0.238 0.000 2.137 73 G HA2 -0.199 3.764 3.960 0.006 0.000 0.237 73 G HA3 -0.199 3.764 3.960 0.006 0.000 0.237 73 G C -0.405 174.113 174.900 -0.637 0.000 1.002 73 G CA -0.264 44.596 45.100 -0.402 0.000 0.702 73 G HN 0.420 nan 8.290 nan 0.000 0.515 74 H N -0.968 118.044 119.070 -0.097 0.000 2.744 74 H HA 0.544 5.104 4.556 0.006 0.000 0.339 74 H C 0.914 176.181 175.328 -0.102 0.000 1.004 74 H CA -0.027 55.973 56.048 -0.079 0.000 1.257 74 H CB 1.544 31.288 29.762 -0.030 0.000 1.552 74 H HN 0.263 nan 8.280 nan 0.000 0.522 75 G N 2.050 110.838 108.800 -0.020 0.000 3.159 75 G HA2 0.009 3.972 3.960 0.006 0.000 0.232 75 G HA3 0.009 3.972 3.960 0.006 0.000 0.232 75 G C 0.445 175.343 174.900 -0.004 0.000 1.116 75 G CA 0.146 45.187 45.100 -0.098 0.000 0.767 75 G HN 0.565 nan 8.290 nan 0.000 0.547 76 T N -3.057 111.533 114.554 0.060 0.000 2.932 76 T HA 0.435 4.788 4.350 0.006 0.000 0.289 76 T C 1.569 176.267 174.700 -0.002 0.000 1.039 76 T CA 0.420 62.550 62.100 0.051 0.000 1.024 76 T CB 1.558 70.492 68.868 0.110 0.000 1.090 76 T HN 0.032 nan 8.240 nan 0.000 0.496 77 T N -1.502 112.987 114.554 -0.109 0.000 2.803 77 T HA -0.018 4.335 4.350 0.006 0.000 0.269 77 T C -1.034 173.469 174.700 -0.327 0.000 1.052 77 T CA 1.002 62.880 62.100 -0.370 0.000 1.136 77 T CB -1.848 66.608 68.868 -0.687 0.000 0.864 77 T HN 0.454 nan 8.240 nan 0.000 0.467 78 P HA 0.017 nan 4.420 nan 0.000 0.215 78 P C 1.782 179.087 177.300 0.007 0.000 1.153 78 P CA 1.659 64.706 63.100 -0.089 0.000 0.853 78 P CB -0.328 31.317 31.700 -0.091 0.000 0.788 79 A N -1.270 121.551 122.820 0.002 0.000 1.903 79 A HA -0.044 4.280 4.320 0.006 0.000 0.213 79 A C 2.165 179.776 177.584 0.044 0.000 1.185 79 A CA 0.872 52.871 52.037 -0.063 0.000 0.628 79 A CB -1.364 17.449 19.000 -0.312 0.000 0.830 79 A HN 0.058 nan 8.150 nan 0.000 0.446 80 I N -1.178 119.446 120.570 0.090 0.000 2.226 80 I HA -0.215 3.958 4.170 0.006 0.000 0.245 80 I C 2.145 178.475 176.117 0.356 0.000 1.100 80 I CA 1.126 62.541 61.300 0.191 0.000 1.374 80 I CB -0.394 37.706 38.000 0.166 0.000 1.057 80 I HN 0.217 nan 8.210 nan 0.000 0.413 81 F N 0.260 120.294 119.950 0.139 0.000 2.171 81 F HA -0.250 4.280 4.527 0.005 0.000 0.300 81 F C 2.510 178.451 175.800 0.235 0.000 1.090 81 F CA 1.121 59.231 58.000 0.183 0.000 1.293 81 F CB -1.326 37.795 39.000 0.203 0.000 1.013 81 F HN 0.094 nan 8.300 nan 0.000 0.486 82 Y N 0.314 120.773 120.300 0.264 0.000 2.242 82 Y HA -0.137 4.417 4.550 0.006 0.000 0.291 82 Y C 2.145 178.135 175.900 0.150 0.000 1.137 82 Y CA 1.258 59.438 58.100 0.134 0.000 1.181 82 Y CB -0.512 37.962 38.460 0.025 0.000 0.989 82 Y HN -0.022 nan 8.280 nan 0.000 0.527 83 L N -0.711 120.599 121.223 0.146 0.000 2.141 83 L HA -0.214 4.129 4.340 0.006 0.000 0.209 83 L C 2.087 179.069 176.870 0.187 0.000 1.094 83 L CA 1.035 55.949 54.840 0.122 0.000 0.763 83 L CB -0.414 41.768 42.059 0.205 0.000 0.908 83 L HN 0.268 nan 8.230 nan 0.000 0.437 84 L N -2.370 118.963 121.223 0.184 0.000 2.375 84 L HA -0.032 4.311 4.340 0.006 0.000 0.215 84 L C 0.256 177.362 176.870 0.394 0.000 1.108 84 L CA 0.154 55.085 54.840 0.152 0.000 0.830 84 L CB 0.094 42.144 42.059 -0.016 0.000 0.959 84 L HN 0.307 nan 8.230 nan 0.000 0.457 85 W N 0.741 122.083 121.300 0.070 0.000 2.680 85 W HA 0.311 4.975 4.660 0.006 0.000 0.305 85 W C -0.563 175.928 176.519 -0.047 0.000 1.033 85 W CA -1.404 55.974 57.345 0.055 0.000 1.242 85 W CB 0.456 29.970 29.460 0.089 0.000 1.138 85 W HN -0.210 nan 8.180 nan 0.000 0.358 86 R N 4.363 124.744 120.500 -0.199 0.000 3.641 86 R HA 0.097 4.440 4.340 0.006 0.000 0.189 86 R C 0.025 176.145 176.300 -0.301 0.000 1.706 86 R CA 0.264 55.992 56.100 -0.619 0.000 1.311 86 R CB -0.377 29.615 30.300 -0.513 0.000 1.330 86 R HN 0.235 nan 8.270 nan 0.000 0.727 87 N N 0.665 119.148 118.700 -0.361 0.000 2.310 87 N HA 0.109 4.853 4.740 0.006 0.000 0.292 87 N C 0.295 175.727 175.510 -0.130 0.000 1.049 87 N CA -0.536 52.273 53.050 -0.402 0.000 0.849 87 N CB 1.486 39.267 38.487 -1.176 0.000 1.532 87 N HN 0.194 nan 8.380 nan 0.000 0.479 88 R N 1.897 122.396 120.500 -0.002 0.000 2.139 88 R HA -0.136 4.207 4.340 0.006 0.000 0.243 88 R C 1.455 177.789 176.300 0.055 0.000 1.145 88 R CA 1.528 57.639 56.100 0.018 0.000 0.976 88 R CB -0.203 30.117 30.300 0.034 0.000 0.866 88 R HN 0.556 nan 8.270 nan 0.000 0.449 89 F N 0.637 120.495 119.950 -0.153 0.000 2.269 89 F HA -0.077 4.453 4.527 0.006 0.000 0.301 89 F C 1.978 177.786 175.800 0.013 0.000 1.082 89 F CA 0.962 58.928 58.000 -0.057 0.000 1.360 89 F CB -0.328 38.647 39.000 -0.043 0.000 1.041 89 F HN 0.066 nan 8.300 nan 0.000 0.512 90 A N 0.002 122.749 122.820 -0.121 0.000 1.930 90 A HA -0.184 4.139 4.320 0.006 0.000 0.217 90 A C 2.291 180.022 177.584 0.244 0.000 1.175 90 A CA 1.628 53.745 52.037 0.133 0.000 0.627 90 A CB -0.521 18.573 19.000 0.156 0.000 0.815 90 A HN 0.407 nan 8.150 nan 0.000 0.443 91 K N -0.378 120.088 120.400 0.111 0.000 2.057 91 K HA -0.009 4.315 4.320 0.006 0.000 0.206 91 K C 1.754 178.347 176.600 -0.012 0.000 1.050 91 K CA 1.451 57.756 56.287 0.030 0.000 0.935 91 K CB -0.330 32.113 32.500 -0.095 0.000 0.715 91 K HN 0.534 nan 8.250 nan 0.000 0.439 92 I N 1.120 121.677 120.570 -0.023 0.000 2.252 92 I HA -0.264 3.909 4.170 0.006 0.000 0.245 92 I C 2.178 178.317 176.117 0.036 0.000 1.102 92 I CA 1.148 62.424 61.300 -0.040 0.000 1.385 92 I CB -0.269 37.729 38.000 -0.004 0.000 1.064 92 I HN 0.099 nan 8.210 nan 0.000 0.414 93 L N 0.584 121.844 121.223 0.062 0.000 2.131 93 L HA -0.133 4.211 4.340 0.006 0.000 0.210 93 L C 2.627 179.856 176.870 0.598 0.000 1.092 93 L CA 1.419 56.501 54.840 0.403 0.000 0.759 93 L CB -1.014 41.245 42.059 0.333 0.000 0.903 93 L HN 0.333 nan 8.230 nan 0.000 0.435 94 G N -0.629 108.376 108.800 0.343 0.000 2.470 94 G HA2 -0.171 3.792 3.960 0.006 0.000 0.220 94 G HA3 -0.171 3.792 3.960 0.006 0.000 0.220 94 G C 1.565 176.389 174.900 -0.128 0.000 1.121 94 G CA 0.643 45.701 45.100 -0.070 0.000 0.766 94 G HN 0.214 nan 8.290 nan 0.000 0.553 95 V N 0.363 120.166 119.914 -0.186 0.000 2.469 95 V HA -0.164 3.959 4.120 0.006 0.000 0.251 95 V C 2.400 178.265 176.094 -0.382 0.000 1.064 95 V CA 1.327 63.343 62.300 -0.473 0.000 1.066 95 V CB -0.630 30.645 31.823 -0.913 0.000 0.667 95 V HN 0.347 nan 8.190 nan 0.000 0.461 96 F N 1.334 121.244 119.950 -0.066 0.000 2.333 96 F HA -0.043 4.488 4.527 0.006 0.000 0.300 96 F C 2.305 177.756 175.800 -0.582 0.000 1.083 96 F CA 1.352 59.286 58.000 -0.111 0.000 1.395 96 F CB -0.933 38.030 39.000 -0.062 0.000 1.056 96 F HN 0.235 nan 8.300 nan 0.000 0.529 97 G N -0.848 107.632 108.800 -0.533 0.000 2.679 97 G HA2 -0.015 3.948 3.960 0.006 0.000 0.212 97 G HA3 -0.015 3.948 3.960 0.006 0.000 0.212 97 G C 1.464 176.246 174.900 -0.197 0.000 1.137 97 G CA 0.432 45.264 45.100 -0.446 0.000 0.787 97 G HN 0.359 nan 8.290 nan 0.000 0.534 98 L N -2.521 118.589 121.223 -0.189 0.000 2.526 98 L HA 0.278 4.621 4.340 0.006 0.000 0.210 98 L C 2.330 179.170 176.870 -0.050 0.000 1.048 98 L CA -0.191 54.555 54.840 -0.157 0.000 0.852 98 L CB -0.209 41.652 42.059 -0.330 0.000 1.128 98 L HN 0.317 nan 8.230 nan 0.000 0.482 99 W N 1.896 123.062 121.300 -0.222 0.000 2.354 99 W HA -0.148 4.516 4.660 0.006 0.000 0.315 99 W C 2.206 178.737 176.519 0.020 0.000 1.206 99 W CA 1.690 58.980 57.345 -0.092 0.000 1.290 99 W CB -0.115 29.311 29.460 -0.058 0.000 1.152 99 W HN -0.072 nan 8.180 nan 0.000 0.489 100 I N 1.877 122.540 120.570 0.154 0.000 2.127 100 I HA -0.300 3.873 4.170 0.006 0.000 0.241 100 I C -0.287 175.799 176.117 -0.052 0.000 1.075 100 I CA 1.802 63.078 61.300 -0.040 0.000 1.334 100 I CB -2.093 35.907 38.000 0.001 0.000 1.040 100 I HN -0.031 nan 8.210 nan 0.000 0.405 101 P HA -0.183 nan 4.420 nan 0.000 0.217 101 P C 1.911 179.180 177.300 -0.053 0.000 1.150 101 P CA 1.389 64.501 63.100 0.020 0.000 0.832 101 P CB -0.030 31.678 31.700 0.014 0.000 0.787 102 L N 0.130 121.312 121.223 -0.068 0.000 2.027 102 L HA -0.100 4.243 4.340 0.006 0.000 0.206 102 L C 2.528 179.349 176.870 -0.082 0.000 1.074 102 L CA 1.695 56.507 54.840 -0.047 0.000 0.745 102 L CB -1.270 40.779 42.059 -0.017 0.000 0.898 102 L HN -0.245 nan 8.230 nan 0.000 0.433 103 V N -1.139 118.639 119.914 -0.227 0.000 2.343 103 V HA -0.272 3.851 4.120 0.006 0.000 0.247 103 V C 2.488 178.561 176.094 -0.036 0.000 1.051 103 V CA 1.654 63.835 62.300 -0.199 0.000 1.036 103 V CB -0.471 31.008 31.823 -0.575 0.000 0.654 103 V HN 0.348 nan 8.190 nan 0.000 0.451 104 V N 0.239 120.102 119.914 -0.085 0.000 2.407 104 V HA -0.231 3.892 4.120 0.006 0.000 0.248 104 V C 2.680 178.510 176.094 -0.441 0.000 1.055 104 V CA 1.876 64.022 62.300 -0.257 0.000 1.049 104 V CB -1.045 30.761 31.823 -0.029 0.000 0.662 104 V HN 0.563 nan 8.190 nan 0.000 0.455 105 A N -0.056 122.646 122.820 -0.197 0.000 1.933 105 A HA -0.175 4.149 4.320 0.006 0.000 0.218 105 A C 2.140 179.727 177.584 0.005 0.000 1.175 105 A CA 1.757 53.736 52.037 -0.096 0.000 0.628 105 A CB -0.586 18.394 19.000 -0.033 0.000 0.814 105 A HN 0.523 nan 8.150 nan 0.000 0.444 106 I N -1.103 119.489 120.570 0.037 0.000 2.423 106 I HA -0.289 3.885 4.170 0.006 0.000 0.254 106 I C 2.250 178.467 176.117 0.167 0.000 1.151 106 I CA 1.754 63.136 61.300 0.137 0.000 1.421 106 I CB -0.234 37.865 38.000 0.166 0.000 1.079 106 I HN 0.768 nan 8.210 nan 0.000 0.431 107 Y N -2.947 117.437 120.300 0.141 0.000 2.535 107 Y HA 0.110 4.663 4.550 0.005 0.000 0.264 107 Y C 2.163 178.130 175.900 0.112 0.000 1.087 107 Y CA -0.342 57.825 58.100 0.113 0.000 1.285 107 Y CB -1.030 37.502 38.460 0.121 0.000 1.200 107 Y HN -0.027 nan 8.280 nan 0.000 0.514 108 Y N 1.425 121.472 120.300 -0.421 0.000 2.181 108 Y HA -0.144 4.409 4.550 0.005 0.000 0.288 108 Y C 2.230 178.077 175.900 -0.088 0.000 1.146 108 Y CA 2.175 60.124 58.100 -0.250 0.000 1.164 108 Y CB -0.150 38.106 38.460 -0.340 0.000 0.982 108 Y HN 0.032 nan 8.280 nan 0.000 0.515 109 V N -0.588 119.451 119.914 0.210 0.000 2.515 109 V HA -0.290 3.834 4.120 0.006 0.000 0.250 109 V C 1.909 178.186 176.094 0.306 0.000 1.058 109 V CA 1.949 64.408 62.300 0.265 0.000 1.064 109 V CB -1.024 31.000 31.823 0.334 0.000 0.675 109 V HN 0.512 nan 8.190 nan 0.000 0.461 110 Y N 0.722 121.040 120.300 0.031 0.000 2.200 110 Y HA -0.149 4.404 4.550 0.006 0.000 0.290 110 Y C 2.217 177.687 175.900 -0.717 0.000 1.137 110 Y CA 1.266 59.209 58.100 -0.262 0.000 1.163 110 Y CB -0.303 37.873 38.460 -0.474 0.000 0.988 110 Y HN 0.195 nan 8.280 nan 0.000 0.518 111 I N 0.162 120.114 120.570 -1.030 0.000 2.286 111 I HA -0.287 3.886 4.170 0.006 0.000 0.248 111 I C 2.505 178.127 176.117 -0.824 0.000 1.115 111 I CA 1.838 62.128 61.300 -1.683 0.000 1.392 111 I CB -0.479 36.866 38.000 -1.090 0.000 1.065 111 I HN 0.292 nan 8.210 nan 0.000 0.418 112 E N 1.169 121.122 120.200 -0.412 0.000 2.118 112 E HA -0.260 4.093 4.350 0.006 0.000 0.195 112 E C 2.264 178.935 176.600 0.120 0.000 0.992 112 E CA 1.828 58.177 56.400 -0.084 0.000 0.804 112 E CB 0.028 29.738 29.700 0.016 0.000 0.741 112 E HN 0.538 nan 8.360 nan 0.000 0.458 113 S N -0.323 115.437 115.700 0.101 0.000 2.402 113 S HA -0.143 4.330 4.470 0.006 0.000 0.229 113 S C 1.643 176.400 174.600 0.261 0.000 1.021 113 S CA 0.771 59.113 58.200 0.237 0.000 0.974 113 S CB -0.647 62.815 63.200 0.437 0.000 0.800 113 S HN 0.412 nan 8.310 nan 0.000 0.484 114 W N 2.980 124.235 121.300 -0.075 0.000 2.358 114 W HA 0.003 4.666 4.660 0.005 0.000 0.303 114 W C 3.040 179.501 176.519 -0.097 0.000 1.208 114 W CA 1.377 58.608 57.345 -0.191 0.000 1.274 114 W CB -1.853 27.231 29.460 -0.628 0.000 1.138 114 W HN 0.619 nan 8.180 nan 0.000 0.515 115 T N -1.180 113.523 114.554 0.249 0.000 2.867 115 T HA -0.171 4.182 4.350 0.006 0.000 0.268 115 T C 1.904 176.714 174.700 0.183 0.000 1.057 115 T CA 1.358 63.589 62.100 0.219 0.000 1.136 115 T CB -0.680 68.309 68.868 0.202 0.000 0.874 115 T HN -0.001 nan 8.240 nan 0.000 0.466 116 L N 1.950 123.219 121.223 0.078 0.000 2.072 116 L HA 0.364 4.708 4.340 0.006 0.000 0.205 116 L C 2.685 179.614 176.870 0.099 0.000 1.079 116 L CA 1.943 56.680 54.840 -0.171 0.000 0.752 116 L CB -1.252 40.470 42.059 -0.562 0.000 0.906 116 L HN 0.349 nan 8.230 nan 0.000 0.436 117 G N -1.085 107.829 108.800 0.191 0.000 2.418 117 G HA2 -0.290 3.673 3.960 0.006 0.000 0.217 117 G HA3 -0.290 3.673 3.960 0.006 0.000 0.217 117 G C 1.422 176.621 174.900 0.498 0.000 1.158 117 G CA 0.896 46.200 45.100 0.341 0.000 0.771 117 G HN 0.380 nan 8.290 nan 0.000 0.545 118 F N 1.806 121.765 119.950 0.016 0.000 2.146 118 F HA 0.104 4.635 4.527 0.005 0.000 0.298 118 F C 3.011 178.971 175.800 0.266 0.000 1.096 118 F CA 0.588 58.581 58.000 -0.012 0.000 1.275 118 F CB -0.612 37.846 39.000 -0.903 0.000 1.008 118 F HN 0.244 nan 8.300 nan 0.000 0.480 119 A N 0.460 123.550 122.820 0.450 0.000 1.883 119 A HA -0.190 4.134 4.320 0.006 0.000 0.217 119 A C 2.319 180.290 177.584 0.644 0.000 1.186 119 A CA 1.902 54.302 52.037 0.605 0.000 0.624 119 A CB -1.152 18.138 19.000 0.484 0.000 0.822 119 A HN 0.360 nan 8.150 nan 0.000 0.444 120 I N -0.427 120.434 120.570 0.485 0.000 2.127 120 I HA -0.316 3.857 4.170 0.006 0.000 0.241 120 I C 2.507 178.823 176.117 0.332 0.000 1.075 120 I CA 1.899 63.438 61.300 0.399 0.000 1.334 120 I CB -0.352 37.928 38.000 0.468 0.000 1.040 120 I HN 0.319 nan 8.210 nan 0.000 0.405 121 K N 0.100 120.722 120.400 0.371 0.000 2.097 121 K HA -0.151 4.172 4.320 0.006 0.000 0.206 121 K C 2.083 178.781 176.600 0.164 0.000 1.049 121 K CA 1.476 57.886 56.287 0.205 0.000 0.933 121 K CB -0.240 32.401 32.500 0.236 0.000 0.717 121 K HN 0.155 nan 8.250 nan 0.000 0.442 122 F N 0.939 121.015 119.950 0.210 0.000 2.206 122 F HA -0.120 4.410 4.527 0.005 0.000 0.298 122 F C 2.143 178.055 175.800 0.186 0.000 1.090 122 F CA 0.553 58.694 58.000 0.234 0.000 1.323 122 F CB -0.387 38.866 39.000 0.421 0.000 1.028 122 F HN -0.055 nan 8.300 nan 0.000 0.492 123 L N 0.438 121.841 121.223 0.299 0.000 2.046 123 L HA -0.115 4.229 4.340 0.006 0.000 0.208 123 L C 2.153 179.012 176.870 -0.018 0.000 1.077 123 L CA 1.755 56.550 54.840 -0.075 0.000 0.747 123 L CB -0.787 41.035 42.059 -0.394 0.000 0.896 123 L HN 0.091 nan 8.230 nan 0.000 0.432 124 V N -2.370 117.553 119.914 0.015 0.000 3.646 124 V HA 0.431 4.554 4.120 0.006 0.000 0.277 124 V C 1.477 177.556 176.094 -0.026 0.000 1.274 124 V CA 0.378 62.670 62.300 -0.013 0.000 1.164 124 V CB -0.982 30.832 31.823 -0.016 0.000 0.926 124 V HN 0.673 nan 8.190 nan 0.000 0.442 125 G N 1.037 109.823 108.800 -0.023 0.000 2.153 125 G HA2 -0.260 3.703 3.960 0.006 0.000 0.252 125 G HA3 -0.260 3.703 3.960 0.006 0.000 0.252 125 G C 0.109 174.928 174.900 -0.136 0.000 0.994 125 G CA 0.467 45.524 45.100 -0.073 0.000 0.698 125 G HN 0.632 nan 8.290 nan 0.000 0.521 126 L N 1.063 122.201 121.223 -0.140 0.000 2.583 126 L HA 0.432 4.775 4.340 0.006 0.000 0.239 126 L C 0.967 177.706 176.870 -0.219 0.000 1.347 126 L CA -0.476 54.281 54.840 -0.139 0.000 1.246 126 L CB -0.084 41.911 42.059 -0.107 0.000 1.496 126 L HN 0.297 nan 8.230 nan 0.000 0.413 127 V N -1.778 117.903 119.914 -0.389 0.000 3.046 127 V HA 0.715 4.838 4.120 0.006 0.000 0.316 127 V C -2.240 173.522 176.094 -0.553 0.000 1.104 127 V CA -2.104 59.751 62.300 -0.741 0.000 1.006 127 V CB 1.390 32.567 31.823 -1.075 0.000 1.058 127 V HN 0.164 nan 8.190 nan 0.000 0.440 128 P HA 0.356 nan 4.420 nan 0.000 0.269 128 P C -0.436 176.596 177.300 -0.447 0.000 1.215 128 P CA 0.517 63.271 63.100 -0.577 0.000 0.780 128 P CB 0.551 31.741 31.700 -0.851 0.000 0.898 129 E N 2.807 122.855 120.200 -0.255 0.000 2.063 129 E HA 0.478 4.832 4.350 0.006 0.000 0.265 129 E C -2.516 174.043 176.600 -0.068 0.000 0.919 129 E CA -1.828 54.499 56.400 -0.123 0.000 0.756 129 E CB -0.025 29.628 29.700 -0.080 0.000 1.120 129 E HN 0.395 nan 8.360 nan 0.000 0.414 130 P HA 0.464 nan 4.420 nan 0.000 0.276 130 P C -2.218 175.119 177.300 0.061 0.000 1.261 130 P CA -0.942 62.202 63.100 0.074 0.000 0.800 130 P CB 0.770 32.602 31.700 0.221 0.000 1.066 131 P HA 0.525 nan 4.420 nan 0.000 0.317 131 P C -2.603 174.732 177.300 0.059 0.000 1.301 131 P CA -1.307 61.821 63.100 0.047 0.000 0.799 131 P CB 0.117 31.838 31.700 0.035 0.000 1.344 136 D N 2.087 122.538 120.400 0.085 0.000 2.372 136 D HA 0.340 4.983 4.640 0.006 0.000 0.243 136 D C -1.237 175.142 176.300 0.130 0.000 1.121 136 D CA -1.634 52.417 54.000 0.086 0.000 0.898 136 D CB 1.739 42.577 40.800 0.063 0.000 1.202 136 D HN 0.120 nan 8.370 nan 0.000 0.428 137 P HA -0.006 nan 4.420 nan 0.000 0.215 137 P C 0.563 177.942 177.300 0.132 0.000 1.157 137 P CA 0.702 63.931 63.100 0.216 0.000 0.856 137 P CB 0.268 32.072 31.700 0.174 0.000 0.786 138 D N -0.562 119.878 120.400 0.067 0.000 2.144 138 D HA -0.118 4.526 4.640 0.006 0.000 0.200 138 D C 2.011 178.349 176.300 0.064 0.000 0.978 138 D CA 1.601 55.626 54.000 0.043 0.000 0.833 138 D CB -0.776 40.033 40.800 0.014 0.000 0.961 138 D HN 0.187 nan 8.370 nan 0.000 0.470 139 S N -0.472 115.270 115.700 0.070 0.000 2.474 139 S HA -0.056 4.417 4.470 0.006 0.000 0.235 139 S C 1.969 176.632 174.600 0.104 0.000 0.997 139 S CA 0.381 58.622 58.200 0.068 0.000 0.949 139 S CB -0.234 63.001 63.200 0.059 0.000 0.766 139 S HN 0.239 nan 8.310 nan 0.000 0.517 140 I N -0.025 120.632 120.570 0.144 0.000 2.927 140 I HA 0.170 4.343 4.170 0.006 0.000 0.268 140 I C 2.021 178.308 176.117 0.283 0.000 1.153 140 I CA 0.489 61.916 61.300 0.212 0.000 1.459 140 I CB 0.128 38.260 38.000 0.221 0.000 1.149 140 I HN 0.257 nan 8.210 nan 0.000 0.443 141 L N -0.151 121.196 121.223 0.207 0.000 2.249 141 L HA -0.020 4.324 4.340 0.006 0.000 0.207 141 L C 2.567 179.550 176.870 0.188 0.000 1.090 141 L CA 0.571 55.532 54.840 0.202 0.000 0.802 141 L CB -0.439 41.659 42.059 0.066 0.000 0.947 141 L HN 0.128 nan 8.230 nan 0.000 0.453 142 R N 0.714 121.274 120.500 0.101 0.000 2.096 142 R HA -0.195 4.149 4.340 0.006 0.000 0.240 142 R C -0.453 175.864 176.300 0.028 0.000 1.139 142 R CA 2.019 58.140 56.100 0.034 0.000 0.952 142 R CB -1.110 29.197 30.300 0.012 0.000 0.854 142 R HN 0.211 nan 8.270 nan 0.000 0.436 143 P HA -0.133 nan 4.420 nan 0.000 0.218 143 P C 0.625 177.831 177.300 -0.155 0.000 1.148 143 P CA 1.370 64.407 63.100 -0.105 0.000 0.822 143 P CB -0.053 31.525 31.700 -0.203 0.000 0.784 144 F N -0.167 119.834 119.950 0.084 0.000 2.293 144 F HA -0.007 4.524 4.527 0.006 0.000 0.297 144 F C 2.365 178.288 175.800 0.205 0.000 1.089 144 F CA 1.122 59.223 58.000 0.168 0.000 1.377 144 F CB -0.533 38.568 39.000 0.169 0.000 1.051 144 F HN -0.175 nan 8.300 nan 0.000 0.511 145 K N 0.902 121.415 120.400 0.188 0.000 2.057 145 K HA -0.159 4.164 4.320 0.006 0.000 0.206 145 K C 1.749 178.246 176.600 -0.172 0.000 1.050 145 K CA 1.656 57.903 56.287 -0.066 0.000 0.935 145 K CB -0.138 32.202 32.500 -0.268 0.000 0.715 145 K HN 0.238 nan 8.250 nan 0.000 0.439 146 E N -0.262 119.892 120.200 -0.078 0.000 2.110 146 E HA -0.195 4.158 4.350 0.006 0.000 0.193 146 E C 1.822 178.487 176.600 0.109 0.000 0.988 146 E CA 1.086 57.477 56.400 -0.014 0.000 0.804 146 E CB -0.215 29.479 29.700 -0.011 0.000 0.745 146 E HN 0.311 nan 8.360 nan 0.000 0.458 147 F N 1.556 121.501 119.950 -0.008 0.000 2.102 147 F HA -0.203 4.328 4.527 0.006 0.000 0.298 147 F C 2.134 178.011 175.800 0.128 0.000 1.105 147 F CA 1.133 59.131 58.000 -0.003 0.000 1.239 147 F CB -0.180 38.775 39.000 -0.074 0.000 0.991 147 F HN -0.002 nan 8.300 nan 0.000 0.474 148 L N -0.496 120.977 121.223 0.417 0.000 2.027 148 L HA -0.211 4.132 4.340 0.006 0.000 0.206 148 L C 2.112 179.136 176.870 0.257 0.000 1.074 148 L CA 1.847 56.938 54.840 0.418 0.000 0.745 148 L CB -1.404 40.957 42.059 0.504 0.000 0.898 148 L HN 0.157 nan 8.230 nan 0.000 0.433 149 Y N -0.124 120.185 120.300 0.015 0.000 2.207 149 Y HA -0.159 4.395 4.550 0.006 0.000 0.287 149 Y C 2.837 178.688 175.900 -0.081 0.000 1.156 149 Y CA 1.217 59.290 58.100 -0.044 0.000 1.182 149 Y CB -1.148 37.309 38.460 -0.006 0.000 0.979 149 Y HN 0.263 nan 8.280 nan 0.000 0.521 150 S N -1.413 114.333 115.700 0.077 0.000 2.414 150 S HA -0.148 4.326 4.470 0.006 0.000 0.227 150 S C 1.791 176.331 174.600 -0.100 0.000 1.022 150 S CA 0.568 58.749 58.200 -0.033 0.000 0.958 150 S CB -0.508 62.653 63.200 -0.064 0.000 0.797 150 S HN 0.538 nan 8.310 nan 0.000 0.493 151 Y N 2.912 123.055 120.300 -0.262 0.000 2.133 151 Y HA -0.064 4.490 4.550 0.006 0.000 0.287 151 Y C 1.951 177.674 175.900 -0.295 0.000 1.134 151 Y CA 1.728 59.656 58.100 -0.287 0.000 1.133 151 Y CB -0.188 38.085 38.460 -0.311 0.000 0.987 151 Y HN 0.313 nan 8.280 nan 0.000 0.502 152 I N -2.825 117.610 120.570 -0.226 0.000 3.419 152 I HA 0.353 4.526 4.170 0.006 0.000 0.286 152 I C 1.307 177.262 176.117 -0.271 0.000 1.268 152 I CA 0.757 61.830 61.300 -0.378 0.000 1.414 152 I CB -0.428 37.166 38.000 -0.676 0.000 1.074 152 I HN 0.294 nan 8.210 nan 0.000 0.457 153 G N 2.430 111.106 108.800 -0.208 0.000 2.291 153 G HA2 -0.186 3.777 3.960 0.006 0.000 0.271 153 G HA3 -0.186 3.777 3.960 0.006 0.000 0.271 153 G C 0.007 174.809 174.900 -0.165 0.000 1.099 153 G CA 0.097 45.102 45.100 -0.158 0.000 0.919 153 G HN 0.275 nan 8.290 nan 0.000 0.496 154 V N 0.802 120.585 119.914 -0.219 0.000 2.788 154 V HA 0.188 4.311 4.120 0.006 0.000 0.307 154 V C -0.922 175.081 176.094 -0.151 0.000 1.069 154 V CA -0.454 61.674 62.300 -0.287 0.000 1.173 154 V CB 0.732 32.170 31.823 -0.640 0.000 0.925 154 V HN 0.353 nan 8.190 nan 0.000 0.492 155 P HA 0.102 nan 4.420 nan 0.000 0.263 155 P C 0.168 177.446 177.300 -0.037 0.000 1.195 155 P CA 0.224 63.279 63.100 -0.074 0.000 0.762 155 P CB 0.317 31.965 31.700 -0.086 0.000 0.799 156 K N 1.490 121.883 120.400 -0.012 0.000 2.354 156 K HA 0.183 4.507 4.320 0.006 0.000 0.194 156 K C 1.263 177.867 176.600 0.008 0.000 1.038 156 K CA 0.157 56.452 56.287 0.012 0.000 1.052 156 K CB 0.539 33.050 32.500 0.018 0.000 0.861 156 K HN 0.556 nan 8.250 nan 0.000 0.535 157 G N 0.148 108.947 108.800 -0.002 0.000 3.175 157 G HA2 0.198 4.161 3.960 0.006 0.000 0.153 157 G HA3 0.198 4.161 3.960 0.006 0.000 0.153 157 G C 0.270 175.166 174.900 -0.007 0.000 1.216 157 G CA 0.431 45.532 45.100 0.001 0.000 0.943 157 G HN 0.063 nan 8.290 nan 0.000 0.611 158 D N -0.570 119.831 120.400 0.001 0.000 2.355 158 D HA 0.237 4.880 4.640 0.006 0.000 0.206 158 D C 0.932 177.222 176.300 -0.016 0.000 1.010 158 D CA 0.249 54.248 54.000 -0.003 0.000 0.875 158 D CB -0.147 40.669 40.800 0.025 0.000 0.966 158 D HN 0.483 nan 8.370 nan 0.000 0.512 159 E N 1.215 121.414 120.200 -0.001 0.000 2.376 159 E HA 0.161 4.514 4.350 0.006 0.000 0.266 159 E C -1.897 174.669 176.600 -0.057 0.000 1.009 159 E CA -1.207 55.195 56.400 0.002 0.000 0.902 159 E CB 1.352 31.067 29.700 0.025 0.000 0.972 159 E HN 0.324 nan 8.360 nan 0.000 0.439 160 P HA 0.089 nan 4.420 nan 0.000 0.246 160 P C -0.630 176.608 177.300 -0.103 0.000 1.686 160 P CA 0.308 63.300 63.100 -0.180 0.000 0.867 160 P CB -0.057 31.446 31.700 -0.330 0.000 1.733 161 I N 0.739 121.277 120.570 -0.053 0.000 2.493 161 I HA 0.359 4.532 4.170 0.006 0.000 0.298 161 I C 0.693 176.799 176.117 -0.018 0.000 0.998 161 I CA -1.348 59.947 61.300 -0.008 0.000 1.137 161 I CB 1.918 39.935 38.000 0.028 0.000 1.310 161 I HN -0.067 nan 8.210 nan 0.000 0.445 162 L N 4.292 125.513 121.223 -0.002 0.000 2.334 162 L HA 0.475 4.819 4.340 0.006 0.000 0.272 162 L C -0.062 176.786 176.870 -0.036 0.000 1.020 162 L CA -0.784 54.015 54.840 -0.069 0.000 0.812 162 L CB 1.322 43.299 42.059 -0.136 0.000 1.264 162 L HN 0.423 nan 8.230 nan 0.000 0.439 163 K N 2.751 123.098 120.400 -0.089 0.000 2.679 163 K HA 0.374 4.697 4.320 0.006 0.000 0.188 163 K C -2.565 173.944 176.600 -0.152 0.000 1.055 163 K CA -1.796 54.459 56.287 -0.054 0.000 1.006 163 K CB 0.739 33.231 32.500 -0.014 0.000 1.317 163 K HN 0.066 nan 8.250 nan 0.000 0.584 164 P HA -0.043 nan 4.420 nan 0.000 0.266 164 P C -0.445 176.743 177.300 -0.188 0.000 1.195 164 P CA -0.043 62.892 63.100 -0.276 0.000 0.768 164 P CB 0.793 32.287 31.700 -0.343 0.000 0.838 165 S N 2.801 118.361 115.700 -0.233 0.000 2.584 165 S HA 0.028 4.502 4.470 0.006 0.000 0.270 165 S C 1.142 175.697 174.600 -0.076 0.000 1.346 165 S CA -0.508 57.601 58.200 -0.152 0.000 1.018 165 S CB 0.095 63.183 63.200 -0.188 0.000 0.899 165 S HN 0.371 nan 8.310 nan 0.000 0.542 166 L N 1.221 122.448 121.223 0.006 0.000 2.083 166 L HA 0.045 4.388 4.340 0.006 0.000 0.209 166 L C 1.987 178.946 176.870 0.150 0.000 1.083 166 L CA 1.772 56.663 54.840 0.085 0.000 0.752 166 L CB -1.245 40.863 42.059 0.082 0.000 0.899 166 L HN 0.835 nan 8.230 nan 0.000 0.433 167 F N 0.490 120.412 119.950 -0.046 0.000 2.102 167 F HA -0.171 4.359 4.527 0.005 0.000 0.298 167 F C 2.315 178.085 175.800 -0.050 0.000 1.105 167 F CA 1.476 59.462 58.000 -0.024 0.000 1.239 167 F CB -0.870 38.108 39.000 -0.037 0.000 0.991 167 F HN 0.155 nan 8.300 nan 0.000 0.474 168 A N -0.660 121.929 122.820 -0.384 0.000 1.908 168 A HA -0.268 4.056 4.320 0.006 0.000 0.218 168 A C 2.178 179.717 177.584 -0.075 0.000 1.181 168 A CA 1.797 53.488 52.037 -0.576 0.000 0.627 168 A CB -1.708 16.698 19.000 -0.991 0.000 0.818 168 A HN 0.597 nan 8.150 nan 0.000 0.445 169 Y N 0.316 120.564 120.300 -0.087 0.000 2.145 169 Y HA -0.160 4.394 4.550 0.006 0.000 0.286 169 Y C 2.068 178.055 175.900 0.145 0.000 1.145 169 Y CA 1.815 59.958 58.100 0.071 0.000 1.148 169 Y CB -0.236 38.264 38.460 0.066 0.000 0.981 169 Y HN 0.267 nan 8.280 nan 0.000 0.507 170 I N -1.225 119.439 120.570 0.156 0.000 2.286 170 I HA -0.294 3.879 4.170 0.006 0.000 0.248 170 I C 2.148 178.241 176.117 -0.039 0.000 1.115 170 I CA 1.095 62.436 61.300 0.068 0.000 1.392 170 I CB -0.460 37.602 38.000 0.104 0.000 1.065 170 I HN 0.063 nan 8.210 nan 0.000 0.418 171 V N 0.486 120.318 119.914 -0.136 0.000 2.515 171 V HA -0.277 3.846 4.120 0.006 0.000 0.250 171 V C 2.222 178.348 176.094 0.054 0.000 1.058 171 V CA 1.644 63.865 62.300 -0.132 0.000 1.064 171 V CB -0.665 30.975 31.823 -0.306 0.000 0.675 171 V HN 0.384 nan 8.190 nan 0.000 0.461 172 F N 0.383 120.318 119.950 -0.024 0.000 2.146 172 F HA -0.119 4.411 4.527 0.006 0.000 0.298 172 F C 1.972 177.788 175.800 0.026 0.000 1.096 172 F CA 1.438 59.472 58.000 0.056 0.000 1.275 172 F CB -0.317 38.724 39.000 0.067 0.000 1.008 172 F HN 0.039 nan 8.300 nan 0.000 0.480 173 L N -0.142 120.991 121.223 -0.151 0.000 2.017 173 L HA -0.255 4.088 4.340 0.006 0.000 0.208 173 L C 2.512 179.281 176.870 -0.167 0.000 1.073 173 L CA 1.547 56.235 54.840 -0.252 0.000 0.745 173 L CB -0.644 41.312 42.059 -0.172 0.000 0.894 173 L HN 0.152 nan 8.230 nan 0.000 0.432 174 I N -0.863 119.664 120.570 -0.072 0.000 2.226 174 I HA -0.285 3.888 4.170 0.006 0.000 0.245 174 I C 2.469 178.634 176.117 0.079 0.000 1.100 174 I CA 1.506 62.817 61.300 0.019 0.000 1.374 174 I CB -0.531 37.477 38.000 0.014 0.000 1.057 174 I HN 0.260 nan 8.210 nan 0.000 0.413 175 T N 0.778 115.347 114.554 0.025 0.000 2.720 175 T HA -0.172 4.181 4.350 0.006 0.000 0.268 175 T C 1.959 176.650 174.700 -0.015 0.000 1.037 175 T CA 1.264 63.418 62.100 0.089 0.000 1.144 175 T CB -0.117 68.841 68.868 0.150 0.000 0.864 175 T HN 0.153 nan 8.240 nan 0.000 0.444 176 M N 0.453 119.934 119.600 -0.198 0.000 2.117 176 M HA 0.029 4.512 4.480 0.006 0.000 0.262 176 M C 2.107 178.341 176.300 -0.110 0.000 1.065 176 M CA 1.273 56.442 55.300 -0.218 0.000 1.114 176 M CB -1.270 31.105 32.600 -0.374 0.000 1.361 176 M HN 0.291 nan 8.290 nan 0.000 0.408 177 F N 1.068 120.910 119.950 -0.180 0.000 2.171 177 F HA -0.165 4.365 4.527 0.006 0.000 0.300 177 F C 2.092 177.838 175.800 -0.090 0.000 1.090 177 F CA 1.386 59.307 58.000 -0.132 0.000 1.293 177 F CB -0.284 38.647 39.000 -0.115 0.000 1.013 177 F HN 0.014 nan 8.300 nan 0.000 0.486 178 I N 0.247 120.768 120.570 -0.081 0.000 2.252 178 I HA -0.305 3.869 4.170 0.006 0.000 0.245 178 I C 2.259 178.208 176.117 -0.279 0.000 1.102 178 I CA 1.175 62.382 61.300 -0.155 0.000 1.385 178 I CB -0.652 37.414 38.000 0.111 0.000 1.064 178 I HN 0.208 nan 8.210 nan 0.000 0.414 179 N N 0.585 119.163 118.700 -0.204 0.000 2.120 179 N HA -0.145 4.598 4.740 0.006 0.000 0.188 179 N C 1.975 177.333 175.510 -0.253 0.000 1.024 179 N CA 1.342 54.259 53.050 -0.221 0.000 0.852 179 N CB -0.049 38.361 38.487 -0.129 0.000 1.003 179 N HN 0.152 nan 8.380 nan 0.000 0.424 180 V N 1.694 121.444 119.914 -0.273 0.000 2.343 180 V HA -0.217 3.906 4.120 0.006 0.000 0.247 180 V C 2.599 178.482 176.094 -0.351 0.000 1.051 180 V CA 1.989 64.124 62.300 -0.277 0.000 1.036 180 V CB -0.723 30.941 31.823 -0.266 0.000 0.654 180 V HN 0.444 nan 8.190 nan 0.000 0.451 181 S N -0.147 115.237 115.700 -0.526 0.000 2.419 181 S HA -0.163 4.310 4.470 0.006 0.000 0.235 181 S C 1.867 176.279 174.600 -0.314 0.000 1.019 181 S CA 1.805 59.719 58.200 -0.478 0.000 0.982 181 S CB -0.564 62.279 63.200 -0.595 0.000 0.789 181 S HN 0.572 nan 8.310 nan 0.000 0.490 182 I N 0.799 121.172 120.570 -0.328 0.000 2.296 182 I HA 0.009 4.182 4.170 0.006 0.000 0.242 182 I C 2.408 178.396 176.117 -0.215 0.000 1.087 182 I CA 0.735 61.861 61.300 -0.289 0.000 1.393 182 I CB -0.311 37.434 38.000 -0.425 0.000 1.093 182 I HN 0.234 nan 8.210 nan 0.000 0.421 183 L N 0.481 121.582 121.223 -0.205 0.000 2.083 183 L HA -0.213 4.131 4.340 0.006 0.000 0.209 183 L C 2.507 179.284 176.870 -0.155 0.000 1.083 183 L CA 1.388 56.132 54.840 -0.159 0.000 0.752 183 L CB -0.355 41.632 42.059 -0.122 0.000 0.899 183 L HN 0.266 nan 8.230 nan 0.000 0.433 184 I N -0.363 120.112 120.570 -0.159 0.000 2.916 184 I HA -0.227 3.946 4.170 0.006 0.000 0.267 184 I C 2.215 178.249 176.117 -0.138 0.000 1.263 184 I CA 0.964 62.182 61.300 -0.138 0.000 1.471 184 I CB -0.073 37.845 38.000 -0.138 0.000 1.089 184 I HN 0.201 nan 8.210 nan 0.000 0.468 185 R N 0.657 121.068 120.500 -0.148 0.000 2.317 185 R HA 0.231 4.574 4.340 0.006 0.000 0.208 185 R C 0.928 177.128 176.300 -0.167 0.000 0.914 185 R CA 0.505 56.523 56.100 -0.137 0.000 1.060 185 R CB 0.214 30.445 30.300 -0.115 0.000 1.015 185 R HN 0.486 nan 8.270 nan 0.000 0.498 186 G N 1.073 109.752 108.800 -0.202 0.000 2.681 186 G HA2 -0.250 3.714 3.960 0.006 0.000 0.220 186 G HA3 -0.250 3.714 3.960 0.006 0.000 0.220 186 G C 0.490 175.171 174.900 -0.365 0.000 1.353 186 G CA -0.501 44.428 45.100 -0.284 0.000 0.872 186 G HN -0.042 nan 8.290 nan 0.000 0.557 187 I N 1.227 121.459 120.570 -0.563 0.000 2.094 187 I HA -0.117 4.056 4.170 0.006 0.000 0.234 187 I C 3.270 179.083 176.117 -0.507 0.000 1.063 187 I CA 2.979 63.805 61.300 -0.789 0.000 1.328 187 I CB -1.878 35.314 38.000 -1.347 0.000 1.058 187 I HN 0.947 nan 8.210 nan 0.000 0.400 188 S N 1.063 116.528 115.700 -0.392 0.000 2.357 188 S HA -0.125 4.349 4.470 0.006 0.000 0.221 188 S C 1.853 176.400 174.600 -0.087 0.000 1.031 188 S CA 0.814 58.913 58.200 -0.167 0.000 0.982 188 S CB -0.446 62.678 63.200 -0.127 0.000 0.853 188 S HN 0.403 nan 8.310 nan 0.000 0.458 189 K N 1.012 121.344 120.400 -0.113 0.000 2.418 189 K HA 0.206 4.530 4.320 0.006 0.000 0.195 189 K C 1.810 178.374 176.600 -0.061 0.000 1.035 189 K CA 0.583 56.829 56.287 -0.069 0.000 1.003 189 K CB 0.017 32.472 32.500 -0.076 0.000 0.793 189 K HN 0.541 nan 8.250 nan 0.000 0.494 190 G N 1.029 109.771 108.800 -0.096 0.000 2.598 190 G HA2 0.016 3.979 3.960 0.006 0.000 0.225 190 G HA3 0.016 3.979 3.960 0.006 0.000 0.225 190 G C 1.312 176.199 174.900 -0.022 0.000 1.631 190 G CA -0.279 44.770 45.100 -0.084 0.000 0.821 190 G HN -0.031 nan 8.290 nan 0.000 0.610 191 I N 0.940 121.476 120.570 -0.057 0.000 2.163 191 I HA -0.145 4.028 4.170 0.006 0.000 0.243 191 I C 2.688 178.900 176.117 0.159 0.000 1.085 191 I CA 1.748 63.076 61.300 0.047 0.000 1.347 191 I CB -0.190 37.794 38.000 -0.026 0.000 1.044 191 I HN 0.367 nan 8.210 nan 0.000 0.408 192 E N 1.184 121.493 120.200 0.182 0.000 2.047 192 E HA -0.279 4.074 4.350 0.006 0.000 0.191 192 E C 2.359 179.025 176.600 0.111 0.000 0.987 192 E CA 1.192 57.726 56.400 0.223 0.000 0.799 192 E CB 0.021 29.904 29.700 0.304 0.000 0.752 192 E HN 0.231 nan 8.360 nan 0.000 0.449 193 R N -0.454 120.096 120.500 0.084 0.000 2.083 193 R HA -0.180 4.163 4.340 0.006 0.000 0.237 193 R C 2.216 178.559 176.300 0.071 0.000 1.137 193 R CA 1.790 57.928 56.100 0.064 0.000 0.951 193 R CB -0.522 29.810 30.300 0.053 0.000 0.851 193 R HN 0.248 nan 8.270 nan 0.000 0.434 194 F N 0.729 120.651 119.950 -0.045 0.000 2.134 194 F HA -0.051 4.480 4.527 0.006 0.000 0.299 194 F C 2.025 177.768 175.800 -0.095 0.000 1.097 194 F CA 1.354 59.302 58.000 -0.087 0.000 1.264 194 F CB -0.582 38.338 39.000 -0.134 0.000 1.001 194 F HN 0.132 nan 8.300 nan 0.000 0.479 195 A N 0.157 122.927 122.820 -0.083 0.000 1.978 195 A HA -0.219 4.104 4.320 0.006 0.000 0.220 195 A C 2.219 179.697 177.584 -0.176 0.000 1.170 195 A CA 1.767 53.713 52.037 -0.151 0.000 0.636 195 A CB -0.687 18.306 19.000 -0.012 0.000 0.810 195 A HN 0.461 nan 8.150 nan 0.000 0.448 196 K N -0.834 119.499 120.400 -0.112 0.000 2.362 196 K HA 0.070 4.393 4.320 0.006 0.000 0.200 196 K C 1.408 177.947 176.600 -0.101 0.000 1.046 196 K CA 1.021 57.262 56.287 -0.077 0.000 0.952 196 K CB -0.153 32.331 32.500 -0.028 0.000 0.753 196 K HN 0.588 nan 8.250 nan 0.000 0.466 197 I N -0.281 120.169 120.570 -0.200 0.000 2.729 197 I HA -0.053 4.121 4.170 0.006 0.000 0.256 197 I C 2.313 178.298 176.117 -0.220 0.000 1.115 197 I CA 0.362 61.557 61.300 -0.176 0.000 1.446 197 I CB -0.085 37.805 38.000 -0.184 0.000 1.176 197 I HN 0.000 nan 8.210 nan 0.000 0.446 198 A N 1.100 123.568 122.820 -0.587 0.000 1.898 198 A HA -0.148 4.175 4.320 0.006 0.000 0.216 198 A C 2.299 179.812 177.584 -0.119 0.000 1.181 198 A CA 1.306 53.014 52.037 -0.550 0.000 0.620 198 A CB -0.357 17.862 19.000 -1.303 0.000 0.819 198 A HN 0.220 nan 8.150 nan 0.000 0.442 199 M N -0.606 118.919 119.600 -0.126 0.000 2.117 199 M HA -0.055 4.428 4.480 0.006 0.000 0.262 199 M C -0.404 175.948 176.300 0.086 0.000 1.065 199 M CA 1.396 56.695 55.300 -0.002 0.000 1.114 199 M CB -2.506 30.077 32.600 -0.029 0.000 1.361 199 M HN 0.135 nan 8.290 nan 0.000 0.408 200 P HA -0.062 nan 4.420 nan 0.000 0.216 200 P C 1.576 178.989 177.300 0.188 0.000 1.153 200 P CA 1.419 64.600 63.100 0.135 0.000 0.848 200 P CB -0.195 31.552 31.700 0.080 0.000 0.787 201 T N 0.039 114.691 114.554 0.163 0.000 2.708 201 T HA -0.152 4.201 4.350 0.006 0.000 0.266 201 T C 1.738 176.533 174.700 0.157 0.000 1.037 201 T CA 0.989 63.195 62.100 0.176 0.000 1.146 201 T CB -1.014 68.018 68.868 0.274 0.000 0.865 201 T HN 0.046 nan 8.240 nan 0.000 0.435 202 L N 0.070 121.409 121.223 0.192 0.000 2.012 202 L HA -0.098 4.246 4.340 0.006 0.000 0.210 202 L C 2.270 179.236 176.870 0.159 0.000 1.073 202 L CA 1.662 56.590 54.840 0.145 0.000 0.748 202 L CB -0.370 41.789 42.059 0.166 0.000 0.891 202 L HN 0.231 nan 8.230 nan 0.000 0.431 203 F N 0.579 120.571 119.950 0.070 0.000 2.102 203 F HA -0.244 4.286 4.527 0.005 0.000 0.298 203 F C 2.114 177.954 175.800 0.066 0.000 1.105 203 F CA 1.815 59.861 58.000 0.075 0.000 1.239 203 F CB -0.298 38.737 39.000 0.058 0.000 0.991 203 F HN 0.009 nan 8.300 nan 0.000 0.474 204 I N -0.094 120.446 120.570 -0.049 0.000 2.226 204 I HA -0.322 3.851 4.170 0.006 0.000 0.245 204 I C 2.428 178.482 176.117 -0.105 0.000 1.100 204 I CA 1.256 62.467 61.300 -0.148 0.000 1.374 204 I CB -0.592 37.409 38.000 0.002 0.000 1.057 204 I HN 0.189 nan 8.210 nan 0.000 0.413 205 L N 0.498 121.693 121.223 -0.047 0.000 2.046 205 L HA -0.214 4.129 4.340 0.006 0.000 0.208 205 L C 2.851 179.710 176.870 -0.018 0.000 1.077 205 L CA 1.429 56.252 54.840 -0.027 0.000 0.747 205 L CB -0.687 41.340 42.059 -0.053 0.000 0.896 205 L HN 0.251 nan 8.230 nan 0.000 0.432 206 A N -0.525 122.250 122.820 -0.075 0.000 1.898 206 A HA -0.132 4.192 4.320 0.006 0.000 0.216 206 A C 2.321 179.852 177.584 -0.088 0.000 1.181 206 A CA 1.607 53.616 52.037 -0.047 0.000 0.620 206 A CB -0.754 18.287 19.000 0.068 0.000 0.819 206 A HN 0.187 nan 8.150 nan 0.000 0.442 207 V N -1.167 118.609 119.914 -0.230 0.000 2.295 207 V HA -0.239 3.884 4.120 0.006 0.000 0.246 207 V C 2.274 178.269 176.094 -0.166 0.000 1.049 207 V CA 2.142 64.275 62.300 -0.278 0.000 1.024 207 V CB -0.960 30.575 31.823 -0.480 0.000 0.648 207 V HN 0.628 nan 8.190 nan 0.000 0.447 208 F N 0.383 120.206 119.950 -0.212 0.000 2.095 208 F HA -0.214 4.317 4.527 0.007 0.000 0.298 208 F C 2.056 177.764 175.800 -0.153 0.000 1.104 208 F CA 1.729 59.636 58.000 -0.155 0.000 1.232 208 F CB -0.309 38.621 39.000 -0.117 0.000 0.987 208 F HN 0.027 nan 8.300 nan 0.000 0.475 209 L N -0.853 120.292 121.223 -0.130 0.000 2.046 209 L HA -0.224 4.119 4.340 0.006 0.000 0.208 209 L C 2.373 179.086 176.870 -0.261 0.000 1.077 209 L CA 0.971 55.694 54.840 -0.196 0.000 0.747 209 L CB -0.781 41.279 42.059 0.002 0.000 0.896 209 L HN 0.015 nan 8.230 nan 0.000 0.432 210 V N 0.169 119.920 119.914 -0.272 0.000 2.343 210 V HA -0.301 3.822 4.120 0.006 0.000 0.247 210 V C 2.304 178.009 176.094 -0.649 0.000 1.051 210 V CA 1.842 63.872 62.300 -0.450 0.000 1.036 210 V CB -0.313 31.202 31.823 -0.513 0.000 0.654 210 V HN 0.315 nan 8.190 nan 0.000 0.451 211 I N -0.234 120.023 120.570 -0.522 0.000 2.179 211 I HA -0.272 3.902 4.170 0.006 0.000 0.242 211 I C 2.739 178.674 176.117 -0.304 0.000 1.088 211 I CA 1.796 62.858 61.300 -0.397 0.000 1.357 211 I CB -0.429 37.378 38.000 -0.321 0.000 1.051 211 I HN 0.231 nan 8.210 nan 0.000 0.409 212 R N 1.056 121.278 120.500 -0.463 0.000 2.083 212 R HA -0.137 4.206 4.340 0.006 0.000 0.237 212 R C 2.085 178.288 176.300 -0.163 0.000 1.137 212 R CA 1.687 57.554 56.100 -0.388 0.000 0.951 212 R CB -0.878 29.068 30.300 -0.590 0.000 0.851 212 R HN 0.163 nan 8.270 nan 0.000 0.434 213 V N 0.306 120.155 119.914 -0.109 0.000 2.343 213 V HA -0.195 3.928 4.120 0.006 0.000 0.247 213 V C 1.907 178.139 176.094 0.230 0.000 1.051 213 V CA 1.595 63.938 62.300 0.072 0.000 1.036 213 V CB -0.657 31.220 31.823 0.090 0.000 0.654 213 V HN 0.218 nan 8.190 nan 0.000 0.451 214 F N -0.242 119.682 119.950 -0.044 0.000 2.408 214 F HA -0.053 4.479 4.527 0.009 0.000 0.300 214 F C 1.896 177.680 175.800 -0.026 0.000 1.090 214 F CA 0.782 58.767 58.000 -0.025 0.000 1.427 214 F CB -0.731 38.251 39.000 -0.032 0.000 1.070 214 F HN 0.145 nan 8.300 nan 0.000 0.549 215 L N -0.823 120.485 121.223 0.141 0.000 2.567 215 L HA 0.053 4.397 4.340 0.006 0.000 0.225 215 L C 0.644 177.546 176.870 0.054 0.000 1.119 215 L CA -0.043 54.834 54.840 0.062 0.000 0.871 215 L CB -0.239 41.829 42.059 0.015 0.000 1.036 215 L HN -0.129 nan 8.230 nan 0.000 0.459 216 L N 1.269 122.547 121.223 0.092 0.000 2.410 216 L HA 0.121 4.464 4.340 0.006 0.000 0.273 216 L C 0.142 177.039 176.870 0.045 0.000 1.152 216 L CA 0.499 55.412 54.840 0.122 0.000 0.855 216 L CB 0.575 42.772 42.059 0.230 0.000 1.129 216 L HN 0.147 nan 8.230 nan 0.000 0.463 217 E N 2.497 122.681 120.200 -0.027 0.000 2.347 217 E HA 0.488 4.841 4.350 0.006 0.000 0.285 217 E C -1.193 175.274 176.600 -0.222 0.000 0.925 217 E CA -0.601 55.738 56.400 -0.101 0.000 0.779 217 E CB 1.984 31.642 29.700 -0.070 0.000 1.233 217 E HN 0.615 nan 8.360 nan 0.000 0.414 218 T N 0.391 114.777 114.554 -0.280 0.000 2.812 218 T HA 0.491 4.845 4.350 0.006 0.000 0.294 218 T C -2.256 172.303 174.700 -0.235 0.000 1.159 218 T CA -1.581 60.298 62.100 -0.369 0.000 1.008 218 T CB 1.299 69.760 68.868 -0.678 0.000 1.289 218 T HN 0.208 nan 8.240 nan 0.000 0.514 219 P HA 0.067 nan 4.420 nan 0.000 0.225 219 P C 0.931 178.160 177.300 -0.119 0.000 1.148 219 P CA 0.667 63.686 63.100 -0.136 0.000 0.779 219 P CB 0.025 31.655 31.700 -0.117 0.000 0.780 220 N N -1.135 117.474 118.700 -0.152 0.000 2.353 220 N HA 0.152 4.895 4.740 0.006 0.000 0.185 220 N C 1.071 176.526 175.510 -0.092 0.000 1.098 220 N CA 0.885 53.870 53.050 -0.107 0.000 0.872 220 N CB 0.757 39.181 38.487 -0.104 0.000 0.970 220 N HN 0.144 nan 8.380 nan 0.000 0.467 221 G N -0.414 108.319 108.800 -0.111 0.000 2.359 221 G HA2 0.162 4.125 3.960 0.006 0.000 0.293 221 G HA3 0.162 4.125 3.960 0.006 0.000 0.293 221 G C -1.168 173.684 174.900 -0.081 0.000 1.300 221 G CA -0.316 44.737 45.100 -0.078 0.000 0.888 221 G HN 0.150 nan 8.290 nan 0.000 0.541 222 T N -2.907 111.616 114.554 -0.052 0.000 2.907 222 T HA 0.764 5.117 4.350 0.006 0.000 0.290 222 T C 1.564 176.251 174.700 -0.023 0.000 1.066 222 T CA 0.606 62.680 62.100 -0.042 0.000 1.012 222 T CB 1.559 70.395 68.868 -0.054 0.000 1.184 222 T HN 2.083 nan 8.240 nan 0.000 0.522 223 A N 0.515 123.325 122.820 -0.017 0.000 1.972 223 A HA 0.232 4.555 4.320 0.006 0.000 0.219 223 A C 2.547 180.082 177.584 -0.082 0.000 1.169 223 A CA 1.978 54.009 52.037 -0.009 0.000 0.635 223 A CB -1.544 17.474 19.000 0.029 0.000 0.810 223 A HN 1.339 nan 8.150 nan 0.000 0.446 224 A N 0.292 123.030 122.820 -0.137 0.000 1.908 224 A HA -0.230 4.094 4.320 0.006 0.000 0.218 224 A C 1.733 179.296 177.584 -0.034 0.000 1.181 224 A CA 1.859 53.815 52.037 -0.134 0.000 0.627 224 A CB -0.590 18.335 19.000 -0.125 0.000 0.818 224 A HN 0.497 nan 8.150 nan 0.000 0.445 225 D N -0.397 119.995 120.400 -0.012 0.000 2.178 225 D HA -0.100 4.544 4.640 0.006 0.000 0.201 225 D C 1.998 178.346 176.300 0.080 0.000 0.980 225 D CA 1.376 55.391 54.000 0.026 0.000 0.842 225 D CB -0.546 40.256 40.800 0.004 0.000 0.948 225 D HN 0.485 nan 8.370 nan 0.000 0.472 226 G N 0.843 109.688 108.800 0.074 0.000 2.404 226 G HA2 -0.155 3.809 3.960 0.006 0.000 0.215 226 G HA3 -0.155 3.809 3.960 0.006 0.000 0.215 226 G C 1.817 176.838 174.900 0.203 0.000 1.174 226 G CA 0.094 45.278 45.100 0.140 0.000 0.780 226 G HN 0.235 nan 8.290 nan 0.000 0.537 227 L N 0.582 121.901 121.223 0.159 0.000 2.093 227 L HA -0.070 4.274 4.340 0.006 0.000 0.208 227 L C 2.711 179.737 176.870 0.261 0.000 1.085 227 L CA 0.742 55.734 54.840 0.254 0.000 0.755 227 L CB -0.455 41.697 42.059 0.155 0.000 0.904 227 L HN 0.135 nan 8.230 nan 0.000 0.435 228 N N 0.265 119.064 118.700 0.164 0.000 2.120 228 N HA -0.231 4.512 4.740 0.006 0.000 0.188 228 N C 1.748 177.340 175.510 0.135 0.000 1.024 228 N CA 1.400 54.534 53.050 0.140 0.000 0.852 228 N CB -0.477 38.068 38.487 0.096 0.000 1.003 228 N HN 0.246 nan 8.380 nan 0.000 0.424 229 F N 1.373 121.331 119.950 0.013 0.000 2.171 229 F HA -0.079 4.449 4.527 0.002 0.000 0.300 229 F C 2.013 177.766 175.800 -0.079 0.000 1.090 229 F CA 0.782 58.763 58.000 -0.032 0.000 1.293 229 F CB -0.270 38.704 39.000 -0.043 0.000 1.013 229 F HN -0.033 nan 8.300 nan 0.000 0.486 230 L N -1.429 119.604 121.223 -0.317 0.000 2.209 230 L HA 0.032 4.375 4.340 0.006 0.000 0.207 230 L C 0.693 177.180 176.870 -0.638 0.000 1.094 230 L CA 1.310 55.789 54.840 -0.601 0.000 0.790 230 L CB -0.504 41.289 42.059 -0.443 0.000 0.932 230 L HN 0.190 nan 8.230 nan 0.000 0.447 231 W N -0.573 120.654 121.300 -0.122 0.000 3.015 231 W HA 0.358 5.019 4.660 0.003 0.000 0.429 231 W C 0.023 176.485 176.519 -0.094 0.000 0.976 231 W CA -0.376 56.919 57.345 -0.083 0.000 2.086 231 W CB 0.218 29.661 29.460 -0.029 0.000 1.125 231 W HN -0.199 nan 8.180 nan 0.000 0.721 232 T N 1.490 116.038 114.554 -0.009 0.000 2.809 232 T HA 0.281 4.635 4.350 0.006 0.000 0.296 232 T C -2.291 172.319 174.700 -0.150 0.000 1.015 232 T CA -1.529 60.551 62.100 -0.034 0.000 0.954 232 T CB 1.319 70.176 68.868 -0.017 0.000 0.950 232 T HN -0.426 nan 8.240 nan 0.000 0.450 233 P HA 0.109 nan 4.420 nan 0.000 0.267 233 P C -0.277 176.745 177.300 -0.463 0.000 1.201 233 P CA 0.063 62.893 63.100 -0.450 0.000 0.775 233 P CB 0.458 31.763 31.700 -0.657 0.000 0.854 234 D N 1.629 121.696 120.400 -0.555 0.000 2.823 234 D HA 0.089 4.732 4.640 0.006 0.000 0.255 234 D C 0.146 176.295 176.300 -0.251 0.000 1.257 234 D CA -0.257 53.561 54.000 -0.304 0.000 0.803 234 D CB -0.183 40.515 40.800 -0.170 0.000 1.384 234 D HN 0.040 nan 8.370 nan 0.000 0.541 235 F N 0.900 120.866 119.950 0.026 0.000 2.481 235 F HA -0.042 4.487 4.527 0.003 0.000 0.297 235 F C 1.995 177.828 175.800 0.055 0.000 1.095 235 F CA 0.796 58.822 58.000 0.044 0.000 1.465 235 F CB -0.186 38.843 39.000 0.048 0.000 1.098 235 F HN 0.272 nan 8.300 nan 0.000 0.585 236 E N -0.275 120.020 120.200 0.157 0.000 2.476 236 E HA -0.057 4.296 4.350 0.006 0.000 0.191 236 E C 1.646 178.308 176.600 0.103 0.000 1.064 236 E CA 0.155 56.631 56.400 0.127 0.000 0.866 236 E CB 0.033 29.790 29.700 0.094 0.000 0.952 236 E HN 0.332 nan 8.360 nan 0.000 0.492 237 K N 0.199 120.655 120.400 0.093 0.000 2.402 237 K HA 0.198 4.521 4.320 0.006 0.000 0.204 237 K C 1.228 177.920 176.600 0.152 0.000 1.056 237 K CA -0.090 56.250 56.287 0.089 0.000 1.069 237 K CB 0.563 33.080 32.500 0.027 0.000 0.888 237 K HN 0.025 nan 8.250 nan 0.000 0.546 238 L N 0.577 121.925 121.223 0.207 0.000 2.549 238 L HA -0.104 4.239 4.340 0.006 0.000 0.230 238 L C 0.988 178.160 176.870 0.503 0.000 1.162 238 L CA 0.968 56.034 54.840 0.377 0.000 0.834 238 L CB -0.031 42.252 42.059 0.374 0.000 0.947 238 L HN -0.019 nan 8.230 nan 0.000 0.452 239 K N -0.854 119.728 120.400 0.303 0.000 2.399 239 K HA 0.093 4.416 4.320 0.006 0.000 0.204 239 K C -0.203 176.516 176.600 0.199 0.000 1.023 239 K CA -0.052 56.365 56.287 0.217 0.000 1.127 239 K CB 0.105 32.685 32.500 0.134 0.000 0.856 239 K HN -0.056 nan 8.250 nan 0.000 0.514 240 D N -0.085 120.474 120.400 0.265 0.000 2.274 240 D HA 0.165 4.808 4.640 0.006 0.000 0.239 240 D C -1.968 174.517 176.300 0.308 0.000 1.104 240 D CA -2.460 51.669 54.000 0.215 0.000 0.840 240 D CB 1.802 42.694 40.800 0.154 0.000 1.100 240 D HN -0.165 nan 8.370 nan 0.000 0.477 241 P HA -0.018 nan 4.420 nan 0.000 0.215 241 P C 1.341 178.743 177.300 0.169 0.000 1.153 241 P CA 1.165 64.379 63.100 0.189 0.000 0.853 241 P CB 0.206 31.985 31.700 0.131 0.000 0.788 242 G N -0.160 108.719 108.800 0.131 0.000 2.469 242 G HA2 -0.267 3.696 3.960 0.006 0.000 0.219 242 G HA3 -0.267 3.696 3.960 0.006 0.000 0.219 242 G C 1.611 176.507 174.900 -0.006 0.000 1.150 242 G CA 0.979 46.078 45.100 -0.003 0.000 0.763 242 G HN 0.166 nan 8.290 nan 0.000 0.561 243 V N -0.677 119.276 119.914 0.065 0.000 2.427 243 V HA -0.142 3.981 4.120 0.006 0.000 0.248 243 V C 2.416 178.490 176.094 -0.033 0.000 1.051 243 V CA 1.643 63.960 62.300 0.028 0.000 1.048 243 V CB -0.595 31.209 31.823 -0.032 0.000 0.666 243 V HN 0.564 nan 8.190 nan 0.000 0.456 244 W N -0.221 121.072 121.300 -0.012 0.000 2.381 244 W HA -0.032 4.632 4.660 0.006 0.000 0.301 244 W C 2.323 178.798 176.519 -0.073 0.000 1.205 244 W CA 0.972 58.306 57.345 -0.018 0.000 1.285 244 W CB -0.382 29.063 29.460 -0.025 0.000 1.133 244 W HN 0.139 nan 8.180 nan 0.000 0.521 245 I N -0.084 120.493 120.570 0.011 0.000 2.226 245 I HA -0.311 3.863 4.170 0.006 0.000 0.245 245 I C 2.535 178.551 176.117 -0.168 0.000 1.100 245 I CA 1.389 62.517 61.300 -0.286 0.000 1.374 245 I CB -0.925 36.654 38.000 -0.703 0.000 1.057 245 I HN -0.039 nan 8.210 nan 0.000 0.413 246 A N 0.785 123.577 122.820 -0.047 0.000 1.877 246 A HA -0.156 4.168 4.320 0.006 0.000 0.216 246 A C 2.561 180.352 177.584 0.344 0.000 1.186 246 A CA 1.827 53.940 52.037 0.126 0.000 0.620 246 A CB -0.859 18.234 19.000 0.156 0.000 0.822 246 A HN 0.421 nan 8.150 nan 0.000 0.443 247 A N -0.533 122.443 122.820 0.261 0.000 1.883 247 A HA -0.050 4.274 4.320 0.006 0.000 0.217 247 A C 2.240 179.953 177.584 0.214 0.000 1.186 247 A CA 1.992 54.058 52.037 0.047 0.000 0.624 247 A CB -1.037 17.726 19.000 -0.395 0.000 0.822 247 A HN 0.438 nan 8.150 nan 0.000 0.444 248 V N -0.104 119.961 119.914 0.250 0.000 2.427 248 V HA -0.146 3.977 4.120 0.006 0.000 0.248 248 V C 2.803 179.194 176.094 0.494 0.000 1.051 248 V CA 1.838 64.370 62.300 0.387 0.000 1.048 248 V CB -1.469 30.619 31.823 0.442 0.000 0.666 248 V HN 0.624 nan 8.190 nan 0.000 0.456 249 G N -0.682 108.353 108.800 0.393 0.000 2.418 249 G HA2 -0.350 3.613 3.960 0.006 0.000 0.217 249 G HA3 -0.350 3.613 3.960 0.006 0.000 0.217 249 G C 1.526 176.739 174.900 0.521 0.000 1.158 249 G CA 1.105 46.475 45.100 0.450 0.000 0.771 249 G HN 0.502 nan 8.290 nan 0.000 0.545 250 Q N 0.246 120.339 119.800 0.489 0.000 2.084 250 Q HA -0.043 4.301 4.340 0.006 0.000 0.202 250 Q C 2.431 178.762 176.000 0.550 0.000 0.978 250 Q CA 0.992 57.128 55.803 0.555 0.000 0.844 250 Q CB -0.351 28.807 28.738 0.700 0.000 0.898 250 Q HN 0.374 nan 8.270 nan 0.000 0.426 251 I N -0.013 120.810 120.570 0.421 0.000 2.208 251 I HA -0.237 3.936 4.170 0.006 0.000 0.245 251 I C 1.928 178.201 176.117 0.259 0.000 1.097 251 I CA 1.309 62.741 61.300 0.219 0.000 1.363 251 I CB -1.097 36.924 38.000 0.035 0.000 1.051 251 I HN 0.213 nan 8.210 nan 0.000 0.413 252 F N 0.270 120.400 119.950 0.300 0.000 2.075 252 F HA -0.268 4.262 4.527 0.005 0.000 0.297 252 F C 2.527 178.602 175.800 0.458 0.000 1.113 252 F CA 1.822 60.014 58.000 0.320 0.000 1.218 252 F CB -0.835 38.341 39.000 0.293 0.000 0.984 252 F HN -0.072 nan 8.300 nan 0.000 0.472 253 F N 0.130 120.446 119.950 0.610 0.000 2.095 253 F HA -0.260 4.271 4.527 0.006 0.000 0.298 253 F C 2.740 178.719 175.800 0.299 0.000 1.104 253 F CA 2.172 60.507 58.000 0.558 0.000 1.232 253 F CB -0.897 38.381 39.000 0.462 0.000 0.987 253 F HN -0.117 nan 8.300 nan 0.000 0.475 254 T N -0.059 114.772 114.554 0.461 0.000 2.915 254 T HA -0.084 4.270 4.350 0.006 0.000 0.269 254 T C 1.730 176.475 174.700 0.076 0.000 1.071 254 T CA 1.235 63.488 62.100 0.255 0.000 1.132 254 T CB -0.327 68.707 68.868 0.276 0.000 0.878 254 T HN 0.228 nan 8.240 nan 0.000 0.479 255 L N 0.653 121.933 121.223 0.095 0.000 2.592 255 L HA 0.266 4.610 4.340 0.006 0.000 0.227 255 L C 0.941 177.808 176.870 -0.006 0.000 1.127 255 L CA -0.045 54.814 54.840 0.032 0.000 0.884 255 L CB 0.021 42.102 42.059 0.037 0.000 1.065 255 L HN 0.127 nan 8.230 nan 0.000 0.457 256 S N 0.521 116.186 115.700 -0.058 0.000 3.587 256 S HA -0.158 4.315 4.470 0.006 0.000 0.337 256 S C 0.222 174.986 174.600 0.273 0.000 1.119 256 S CA 0.409 58.505 58.200 -0.173 0.000 0.976 256 S CB -1.816 61.182 63.200 -0.337 0.000 0.922 256 S HN 0.289 nan 8.310 nan 0.000 0.503 257 L N 0.395 121.873 121.223 0.424 0.000 2.312 257 L HA 0.604 4.948 4.340 0.006 0.000 0.281 257 L C 1.467 178.683 176.870 0.577 0.000 1.070 257 L CA 0.354 55.417 54.840 0.372 0.000 0.805 257 L CB 0.987 43.071 42.059 0.042 0.000 1.174 257 L HN 0.433 nan 8.230 nan 0.000 0.434 258 G N 1.946 111.020 108.800 0.457 0.000 2.159 258 G HA2 -0.308 3.655 3.960 0.006 0.000 0.256 258 G HA3 -0.308 3.655 3.960 0.006 0.000 0.256 258 G C 0.271 175.297 174.900 0.209 0.000 0.977 258 G CA 0.118 45.475 45.100 0.428 0.000 0.652 258 G HN 0.569 nan 8.290 nan 0.000 0.531 259 F N 0.465 120.550 119.950 0.225 0.000 2.678 259 F HA 0.421 4.951 4.527 0.005 0.000 0.305 259 F C 2.103 177.920 175.800 0.028 0.000 1.090 259 F CA 0.655 58.688 58.000 0.054 0.000 1.272 259 F CB 0.771 39.733 39.000 -0.063 0.000 1.060 259 F HN 0.611 nan 8.300 nan 0.000 0.576 260 G N 0.685 109.673 108.800 0.313 0.000 2.196 260 G HA2 -0.387 3.576 3.960 0.006 0.000 0.268 260 G HA3 -0.387 3.576 3.960 0.006 0.000 0.268 260 G C 1.296 176.260 174.900 0.107 0.000 0.975 260 G CA 0.595 45.828 45.100 0.222 0.000 0.648 260 G HN 0.531 nan 8.290 nan 0.000 0.538 261 A N -0.075 122.785 122.820 0.068 0.000 1.903 261 A HA 0.418 4.742 4.320 0.006 0.000 0.213 261 A C 2.313 179.793 177.584 -0.174 0.000 1.185 261 A CA 1.633 53.615 52.037 -0.092 0.000 0.628 261 A CB -0.197 18.663 19.000 -0.232 0.000 0.830 261 A HN 0.429 nan 8.150 nan 0.000 0.446 262 I N 0.368 120.855 120.570 -0.138 0.000 2.252 262 I HA -0.203 3.971 4.170 0.006 0.000 0.245 262 I C 2.388 178.401 176.117 -0.173 0.000 1.102 262 I CA 1.207 62.378 61.300 -0.215 0.000 1.385 262 I CB -1.073 36.850 38.000 -0.129 0.000 1.064 262 I HN 0.302 nan 8.210 nan 0.000 0.414 263 I N 0.524 121.064 120.570 -0.049 0.000 2.163 263 I HA -0.316 3.858 4.170 0.006 0.000 0.243 263 I C 2.471 178.581 176.117 -0.012 0.000 1.085 263 I CA 1.624 62.911 61.300 -0.022 0.000 1.347 263 I CB -0.590 37.435 38.000 0.042 0.000 1.044 263 I HN 0.202 nan 8.210 nan 0.000 0.408 264 T N -0.273 114.305 114.554 0.041 0.000 2.746 264 T HA -0.186 4.168 4.350 0.006 0.000 0.267 264 T C 1.819 176.636 174.700 0.195 0.000 1.039 264 T CA 1.301 63.447 62.100 0.078 0.000 1.142 264 T CB -0.324 68.639 68.868 0.158 0.000 0.866 264 T HN 0.177 nan 8.240 nan 0.000 0.444 265 Y N 1.531 121.881 120.300 0.084 0.000 2.181 265 Y HA 0.047 4.601 4.550 0.006 0.000 0.288 265 Y C 2.671 178.732 175.900 0.270 0.000 1.146 265 Y CA 0.155 58.451 58.100 0.326 0.000 1.164 265 Y CB -1.034 37.499 38.460 0.122 0.000 0.982 265 Y HN 0.206 nan 8.280 nan 0.000 0.515 266 A N -0.730 122.115 122.820 0.043 0.000 2.121 266 A HA -0.121 4.202 4.320 0.006 0.000 0.218 266 A C 2.311 179.923 177.584 0.047 0.000 1.154 266 A CA 1.473 53.467 52.037 -0.071 0.000 0.679 266 A CB -0.932 17.922 19.000 -0.244 0.000 0.795 266 A HN 0.451 nan 8.150 nan 0.000 0.458 267 S N -1.757 113.883 115.700 -0.100 0.000 2.555 267 S HA -0.045 4.428 4.470 0.006 0.000 0.230 267 S C 1.131 175.495 174.600 -0.393 0.000 0.978 267 S CA 0.669 58.706 58.200 -0.272 0.000 0.934 267 S CB -0.623 62.316 63.200 -0.435 0.000 0.766 267 S HN 0.563 nan 8.310 nan 0.000 0.533 268 Y N 1.016 121.368 120.300 0.087 0.000 2.458 268 Y HA 0.465 5.019 4.550 0.005 0.000 0.256 268 Y C 0.631 176.689 175.900 0.262 0.000 1.159 268 Y CA -0.937 57.121 58.100 -0.070 0.000 1.261 268 Y CB 0.021 38.099 38.460 -0.637 0.000 1.119 268 Y HN 0.085 nan 8.280 nan 0.000 0.524 269 V N 2.190 122.398 119.914 0.490 0.000 2.530 269 V HA 0.126 4.249 4.120 0.006 0.000 0.282 269 V C 0.596 176.858 176.094 0.281 0.000 1.048 269 V CA -0.998 61.589 62.300 0.478 0.000 0.997 269 V CB 0.675 32.728 31.823 0.383 0.000 0.987 269 V HN 0.205 nan 8.190 nan 0.000 0.477 270 R N 3.228 123.808 120.500 0.132 0.000 2.585 270 R HA 0.003 4.346 4.340 0.006 0.000 0.275 270 R C 1.628 177.939 176.300 0.019 0.000 1.018 270 R CA -0.051 55.991 56.100 -0.097 0.000 1.072 270 R CB 0.334 30.515 30.300 -0.199 0.000 0.953 270 R HN 0.693 nan 8.270 nan 0.000 0.419 271 K N 2.535 122.939 120.400 0.007 0.000 2.207 271 K HA -0.267 4.057 4.320 0.006 0.000 0.208 271 K C 0.957 177.587 176.600 0.049 0.000 1.046 271 K CA 2.340 58.653 56.287 0.044 0.000 0.929 271 K CB 0.059 32.573 32.500 0.023 0.000 0.720 271 K HN 0.708 nan 8.250 nan 0.000 0.463 272 D N -0.390 120.024 120.400 0.023 0.000 2.327 272 D HA -0.096 4.548 4.640 0.006 0.000 0.205 272 D C 0.178 176.499 176.300 0.035 0.000 0.989 272 D CA 0.110 54.126 54.000 0.025 0.000 0.873 272 D CB -0.204 40.600 40.800 0.006 0.000 0.955 272 D HN 0.286 nan 8.370 nan 0.000 0.515 273 Q N 1.564 121.395 119.800 0.051 0.000 2.349 273 Q HA -0.008 4.335 4.340 0.006 0.000 0.287 273 Q C 0.333 176.380 176.000 0.077 0.000 1.044 273 Q CA 0.142 55.988 55.803 0.071 0.000 0.918 273 Q CB 0.951 29.758 28.738 0.115 0.000 1.242 273 Q HN 0.309 nan 8.270 nan 0.000 0.405 274 D N 2.368 122.796 120.400 0.046 0.000 2.423 274 D HA -0.019 4.625 4.640 0.006 0.000 0.238 274 D C 0.423 176.739 176.300 0.027 0.000 1.142 274 D CA 0.265 54.270 54.000 0.009 0.000 0.884 274 D CB 0.663 41.447 40.800 -0.026 0.000 1.199 274 D HN 0.659 nan 8.370 nan 0.000 0.438 275 I N -0.244 120.308 120.570 -0.031 0.000 4.730 275 I HA 0.015 4.188 4.170 0.006 0.000 0.332 275 I C 1.360 177.319 176.117 -0.264 0.000 1.299 275 I CA -0.482 60.764 61.300 -0.089 0.000 1.294 275 I CB 0.215 38.330 38.000 0.192 0.000 1.317 275 I HN 0.157 nan 8.210 nan 0.000 0.457 276 V N 1.775 121.567 119.914 -0.203 0.000 2.244 276 V HA -0.211 3.913 4.120 0.006 0.000 0.244 276 V C 2.496 178.599 176.094 0.015 0.000 1.042 276 V CA 2.190 64.358 62.300 -0.221 0.000 1.006 276 V CB -0.480 31.096 31.823 -0.413 0.000 0.641 276 V HN 0.457 nan 8.190 nan 0.000 0.446 277 L N 1.034 122.205 121.223 -0.086 0.000 2.072 277 L HA -0.098 4.245 4.340 0.006 0.000 0.205 277 L C 2.705 179.487 176.870 -0.147 0.000 1.079 277 L CA 2.352 57.156 54.840 -0.060 0.000 0.752 277 L CB -0.715 41.310 42.059 -0.057 0.000 0.906 277 L HN 0.499 nan 8.230 nan 0.000 0.436 278 S N -0.999 114.548 115.700 -0.255 0.000 2.368 278 S HA -0.110 4.363 4.470 0.006 0.000 0.225 278 S C 2.111 176.296 174.600 -0.692 0.000 1.030 278 S CA 0.923 58.901 58.200 -0.371 0.000 0.999 278 S CB -1.695 61.307 63.200 -0.330 0.000 0.844 278 S HN 0.482 nan 8.310 nan 0.000 0.459 279 G N 1.801 109.919 108.800 -1.135 0.000 2.402 279 G HA2 -0.086 3.877 3.960 0.006 0.000 0.216 279 G HA3 -0.086 3.877 3.960 0.006 0.000 0.216 279 G C 1.386 175.941 174.900 -0.575 0.000 1.162 279 G CA 0.911 45.220 45.100 -1.319 0.000 0.777 279 G HN 0.459 nan 8.290 nan 0.000 0.539 280 L N 1.019 122.022 121.223 -0.366 0.000 2.083 280 L HA 0.015 4.359 4.340 0.006 0.000 0.209 280 L C 2.850 179.629 176.870 -0.152 0.000 1.083 280 L CA 2.446 57.120 54.840 -0.277 0.000 0.752 280 L CB -0.866 41.171 42.059 -0.036 0.000 0.899 280 L HN 0.176 nan 8.230 nan 0.000 0.433 281 T N -0.227 114.249 114.554 -0.130 0.000 2.737 281 T HA -0.116 4.237 4.350 0.006 0.000 0.265 281 T C 1.923 176.591 174.700 -0.054 0.000 1.038 281 T CA 1.298 63.353 62.100 -0.076 0.000 1.144 281 T CB -0.519 68.306 68.868 -0.071 0.000 0.866 281 T HN 0.516 nan 8.240 nan 0.000 0.434 282 A N 1.533 124.328 122.820 -0.043 0.000 1.908 282 A HA 0.107 4.431 4.320 0.006 0.000 0.218 282 A C 2.638 180.229 177.584 0.012 0.000 1.181 282 A CA 1.933 53.990 52.037 0.033 0.000 0.627 282 A CB -1.135 17.982 19.000 0.196 0.000 0.818 282 A HN 0.508 nan 8.150 nan 0.000 0.445 283 A N -1.217 121.594 122.820 -0.016 0.000 1.902 283 A HA -0.068 4.256 4.320 0.006 0.000 0.217 283 A C 2.308 179.915 177.584 0.038 0.000 1.181 283 A CA 2.260 54.312 52.037 0.025 0.000 0.623 283 A CB -1.209 17.777 19.000 -0.024 0.000 0.818 283 A HN 0.428 nan 8.150 nan 0.000 0.443 284 T N 0.436 115.002 114.554 0.021 0.000 2.777 284 T HA -0.050 4.303 4.350 0.006 0.000 0.266 284 T C 1.800 176.466 174.700 -0.056 0.000 1.040 284 T CA 1.348 63.445 62.100 -0.005 0.000 1.141 284 T CB -0.358 68.514 68.868 0.008 0.000 0.868 284 T HN 0.355 nan 8.240 nan 0.000 0.444 285 L N 1.163 122.359 121.223 -0.044 0.000 2.083 285 L HA -0.130 4.213 4.340 0.006 0.000 0.209 285 L C 2.575 179.414 176.870 -0.051 0.000 1.083 285 L CA 1.278 56.089 54.840 -0.048 0.000 0.752 285 L CB -0.542 41.491 42.059 -0.042 0.000 0.899 285 L HN 0.300 nan 8.230 nan 0.000 0.433 286 N N -0.265 118.401 118.700 -0.056 0.000 2.142 286 N HA -0.200 4.544 4.740 0.006 0.000 0.186 286 N C 1.812 177.242 175.510 -0.134 0.000 1.023 286 N CA 1.082 54.088 53.050 -0.073 0.000 0.852 286 N CB 0.133 38.589 38.487 -0.052 0.000 0.998 286 N HN 0.132 nan 8.380 nan 0.000 0.424 287 E N 0.678 120.760 120.200 -0.197 0.000 2.110 287 E HA -0.141 4.212 4.350 0.006 0.000 0.193 287 E C 1.770 178.260 176.600 -0.184 0.000 0.988 287 E CA 0.912 57.142 56.400 -0.282 0.000 0.804 287 E CB -0.147 29.219 29.700 -0.557 0.000 0.745 287 E HN 0.511 nan 8.360 nan 0.000 0.458 288 K N 0.625 120.954 120.400 -0.118 0.000 2.026 288 K HA -0.039 4.285 4.320 0.006 0.000 0.208 288 K C 2.182 178.764 176.600 -0.031 0.000 1.048 288 K CA 1.206 57.464 56.287 -0.048 0.000 0.929 288 K CB -0.166 32.325 32.500 -0.016 0.000 0.713 288 K HN 0.050 nan 8.250 nan 0.000 0.439 289 A N 1.348 124.145 122.820 -0.038 0.000 1.972 289 A HA -0.239 4.084 4.320 0.006 0.000 0.219 289 A C 2.058 179.507 177.584 -0.226 0.000 1.169 289 A CA 1.821 53.839 52.037 -0.032 0.000 0.635 289 A CB -0.375 18.626 19.000 0.002 0.000 0.810 289 A HN 0.418 nan 8.150 nan 0.000 0.446 290 E N -0.137 119.885 120.200 -0.297 0.000 2.014 290 E HA -0.111 4.242 4.350 0.006 0.000 0.190 290 E C 1.996 178.241 176.600 -0.591 0.000 0.980 290 E CA 1.792 57.891 56.400 -0.501 0.000 0.807 290 E CB -0.207 29.193 29.700 -0.500 0.000 0.770 290 E HN 0.452 nan 8.360 nan 0.000 0.451 291 V N -0.716 118.928 119.914 -0.450 0.000 2.453 291 V HA -0.083 4.040 4.120 0.006 0.000 0.247 291 V C 2.176 178.383 176.094 0.188 0.000 1.048 291 V CA 1.409 63.595 62.300 -0.191 0.000 1.049 291 V CB -0.534 31.356 31.823 0.112 0.000 0.672 291 V HN 0.285 nan 8.190 nan 0.000 0.457 292 I N -0.375 120.263 120.570 0.113 0.000 2.339 292 I HA -0.013 4.160 4.170 0.006 0.000 0.245 292 I C 2.494 178.701 176.117 0.150 0.000 1.096 292 I CA 1.299 62.692 61.300 0.155 0.000 1.408 292 I CB -0.172 37.883 38.000 0.092 0.000 1.092 292 I HN 0.239 nan 8.210 nan 0.000 0.423 293 L N 0.193 121.484 121.223 0.112 0.000 2.121 293 L HA 0.105 4.448 4.340 0.006 0.000 0.200 293 L C 2.704 179.721 176.870 0.245 0.000 1.077 293 L CA 1.321 56.271 54.840 0.183 0.000 0.766 293 L CB -1.217 41.008 42.059 0.277 0.000 0.931 293 L HN 0.235 nan 8.230 nan 0.000 0.452 294 G N -0.063 108.768 108.800 0.053 0.000 2.422 294 G HA2 -0.181 3.782 3.960 0.006 0.000 0.218 294 G HA3 -0.181 3.782 3.960 0.006 0.000 0.218 294 G C 1.554 176.610 174.900 0.260 0.000 1.146 294 G CA 0.756 45.906 45.100 0.083 0.000 0.769 294 G HN 0.484 nan 8.290 nan 0.000 0.547 295 G N 0.052 109.008 108.800 0.261 0.000 2.484 295 G HA2 0.013 3.977 3.960 0.006 0.000 0.218 295 G HA3 0.013 3.977 3.960 0.006 0.000 0.218 295 G C 1.736 176.826 174.900 0.316 0.000 1.130 295 G CA 1.132 46.467 45.100 0.392 0.000 0.784 295 G HN 0.411 nan 8.290 nan 0.000 0.543 296 S N -0.239 115.643 115.700 0.302 0.000 2.575 296 S HA 0.315 4.788 4.470 0.006 0.000 0.215 296 S C 1.645 176.386 174.600 0.234 0.000 0.966 296 S CA -0.266 58.133 58.200 0.332 0.000 0.911 296 S CB 0.173 63.569 63.200 0.327 0.000 0.780 296 S HN 0.356 nan 8.310 nan 0.000 0.514 297 I N 0.949 121.621 120.570 0.170 0.000 3.649 297 I HA -0.034 4.139 4.170 0.006 0.000 0.234 297 I C 2.551 178.628 176.117 -0.067 0.000 1.053 297 I CA 0.744 62.076 61.300 0.052 0.000 1.538 297 I CB -0.514 37.526 38.000 0.067 0.000 1.445 297 I HN 0.292 nan 8.210 nan 0.000 0.464 298 S N 1.502 117.132 115.700 -0.116 0.000 2.368 298 S HA -0.090 4.383 4.470 0.006 0.000 0.224 298 S C 2.036 176.577 174.600 -0.098 0.000 1.029 298 S CA 0.942 59.014 58.200 -0.213 0.000 0.988 298 S CB -0.839 62.256 63.200 -0.175 0.000 0.838 298 S HN 0.328 nan 8.310 nan 0.000 0.462 299 I N 2.551 123.118 120.570 -0.005 0.000 2.142 299 I HA -0.055 4.119 4.170 0.006 0.000 0.240 299 I C -0.727 175.417 176.117 0.045 0.000 1.078 299 I CA 1.063 62.377 61.300 0.024 0.000 1.343 299 I CB -1.305 36.741 38.000 0.076 0.000 1.046 299 I HN 0.258 nan 8.210 nan 0.000 0.405 300 P HA -0.151 nan 4.420 nan 0.000 0.216 300 P C 1.434 178.773 177.300 0.066 0.000 1.150 300 P CA 1.704 64.866 63.100 0.103 0.000 0.837 300 P CB -0.003 31.808 31.700 0.185 0.000 0.786 301 A N 0.054 122.884 122.820 0.017 0.000 1.873 301 A HA -0.102 4.221 4.320 0.006 0.000 0.215 301 A C 2.326 179.883 177.584 -0.045 0.000 1.186 301 A CA 2.108 54.121 52.037 -0.039 0.000 0.616 301 A CB -1.627 17.253 19.000 -0.201 0.000 0.823 301 A HN 0.182 nan 8.150 nan 0.000 0.442 302 A N -0.618 122.173 122.820 -0.048 0.000 1.902 302 A HA -0.003 4.320 4.320 0.006 0.000 0.217 302 A C 2.233 179.888 177.584 0.119 0.000 1.181 302 A CA 1.846 53.923 52.037 0.066 0.000 0.623 302 A CB -0.938 18.085 19.000 0.039 0.000 0.818 302 A HN 0.399 nan 8.150 nan 0.000 0.443 303 V N -0.165 119.772 119.914 0.039 0.000 2.358 303 V HA -0.217 3.907 4.120 0.006 0.000 0.246 303 V C 3.047 179.152 176.094 0.019 0.000 1.047 303 V CA 1.800 64.103 62.300 0.006 0.000 1.035 303 V CB -1.230 30.572 31.823 -0.036 0.000 0.658 303 V HN 0.614 nan 8.190 nan 0.000 0.452 304 A N -0.545 122.301 122.820 0.045 0.000 1.908 304 A HA -0.205 4.118 4.320 0.006 0.000 0.218 304 A C 2.020 179.584 177.584 -0.034 0.000 1.181 304 A CA 1.985 54.041 52.037 0.031 0.000 0.627 304 A CB -0.638 18.426 19.000 0.106 0.000 0.818 304 A HN 0.476 nan 8.150 nan 0.000 0.445 305 F N -2.387 117.392 119.950 -0.285 0.000 2.335 305 F HA 0.162 4.693 4.527 0.006 0.000 0.296 305 F C 1.380 176.774 175.800 -0.677 0.000 1.091 305 F CA 0.842 58.512 58.000 -0.551 0.000 1.399 305 F CB -0.007 38.480 39.000 -0.856 0.000 1.067 305 F HN 0.220 nan 8.300 nan 0.000 0.520 306 F N -0.807 119.199 119.950 0.093 0.000 2.728 306 F HA 0.506 5.035 4.527 0.004 0.000 0.314 306 F C 1.106 176.883 175.800 -0.039 0.000 1.094 306 F CA 0.121 58.130 58.000 0.014 0.000 1.217 306 F CB -0.148 38.851 39.000 -0.001 0.000 1.056 306 F HN -0.071 nan 8.300 nan 0.000 0.577 307 G N 0.438 109.286 108.800 0.080 0.000 2.707 307 G HA2 -0.146 3.817 3.960 0.006 0.000 0.686 307 G HA3 -0.146 3.817 3.960 0.006 0.000 0.686 307 G C 0.440 175.305 174.900 -0.058 0.000 1.315 307 G CA -0.605 44.495 45.100 -0.001 0.000 0.832 307 G HN -0.066 nan 8.290 nan 0.000 0.573 308 V N 1.234 121.061 119.914 -0.144 0.000 2.261 308 V HA -0.063 4.060 4.120 0.006 0.000 0.246 308 V C 3.461 179.376 176.094 -0.297 0.000 1.047 308 V CA 3.461 65.565 62.300 -0.327 0.000 1.015 308 V CB -1.446 30.150 31.823 -0.379 0.000 0.642 308 V HN 1.895 nan 8.190 nan 0.000 0.446 309 A N 0.451 123.166 122.820 -0.175 0.000 1.892 309 A HA -0.290 4.034 4.320 0.006 0.000 0.218 309 A C 2.101 179.613 177.584 -0.120 0.000 1.188 309 A CA 2.369 54.327 52.037 -0.130 0.000 0.631 309 A CB -0.750 18.205 19.000 -0.074 0.000 0.822 309 A HN 0.608 nan 8.150 nan 0.000 0.447 310 N N -0.105 118.544 118.700 -0.085 0.000 2.270 310 N HA -0.039 4.704 4.740 0.006 0.000 0.181 310 N C 1.940 177.374 175.510 -0.127 0.000 1.016 310 N CA 1.274 54.268 53.050 -0.093 0.000 0.870 310 N CB -0.428 38.037 38.487 -0.036 0.000 0.979 310 N HN 0.485 nan 8.380 nan 0.000 0.431 311 A N 0.991 123.748 122.820 -0.105 0.000 1.858 311 A HA -0.090 4.233 4.320 0.006 0.000 0.216 311 A C 2.525 180.008 177.584 -0.168 0.000 1.190 311 A CA 1.323 53.290 52.037 -0.118 0.000 0.617 311 A CB -0.887 18.023 19.000 -0.150 0.000 0.827 311 A HN 0.078 nan 8.150 nan 0.000 0.443 312 V N 0.011 119.789 119.914 -0.226 0.000 2.287 312 V HA -0.299 3.824 4.120 0.006 0.000 0.248 312 V C 3.070 179.089 176.094 -0.125 0.000 1.053 312 V CA 2.102 64.295 62.300 -0.178 0.000 1.027 312 V CB -1.314 30.401 31.823 -0.182 0.000 0.646 312 V HN 0.634 nan 8.190 nan 0.000 0.447 313 A N -0.344 122.403 122.820 -0.122 0.000 1.940 313 A HA -0.198 4.125 4.320 0.006 0.000 0.219 313 A C 2.183 179.703 177.584 -0.108 0.000 1.176 313 A CA 2.009 53.984 52.037 -0.103 0.000 0.631 313 A CB -0.553 18.386 19.000 -0.102 0.000 0.814 313 A HN 0.534 nan 8.150 nan 0.000 0.446 314 I N -0.448 120.043 120.570 -0.132 0.000 2.179 314 I HA -0.279 3.894 4.170 0.006 0.000 0.242 314 I C 3.008 179.071 176.117 -0.091 0.000 1.088 314 I CA 1.082 62.307 61.300 -0.126 0.000 1.357 314 I CB -0.389 37.517 38.000 -0.157 0.000 1.051 314 I HN 0.365 nan 8.210 nan 0.000 0.409 315 A N 0.801 123.562 122.820 -0.098 0.000 1.908 315 A HA -0.234 4.089 4.320 0.006 0.000 0.218 315 A C 2.279 179.804 177.584 -0.098 0.000 1.181 315 A CA 1.710 53.689 52.037 -0.097 0.000 0.627 315 A CB -0.477 18.454 19.000 -0.116 0.000 0.818 315 A HN 0.343 nan 8.150 nan 0.000 0.445 316 K N -0.340 120.004 120.400 -0.093 0.000 2.211 316 K HA 0.051 4.374 4.320 0.006 0.000 0.203 316 K C 2.178 178.738 176.600 -0.068 0.000 1.050 316 K CA 0.764 57.002 56.287 -0.083 0.000 0.945 316 K CB -0.263 32.194 32.500 -0.071 0.000 0.732 316 K HN 0.452 nan 8.250 nan 0.000 0.451 317 A N 1.364 124.148 122.820 -0.060 0.000 1.940 317 A HA -0.001 4.322 4.320 0.006 0.000 0.219 317 A C 1.386 178.952 177.584 -0.030 0.000 1.176 317 A CA 1.833 53.847 52.037 -0.038 0.000 0.631 317 A CB -0.736 18.245 19.000 -0.032 0.000 0.814 317 A HN 0.463 nan 8.150 nan 0.000 0.446 318 G N -1.941 106.831 108.800 -0.048 0.000 2.503 318 G HA2 0.225 4.188 3.960 0.006 0.000 0.235 318 G HA3 0.225 4.188 3.960 0.006 0.000 0.235 318 G C 0.875 175.748 174.900 -0.045 0.000 1.179 318 G CA 1.315 46.370 45.100 -0.075 0.000 0.944 318 G HN 1.987 nan 8.290 nan 0.000 0.580 319 A N -1.594 121.184 122.820 -0.069 0.000 2.120 319 A HA 0.137 4.460 4.320 0.006 0.000 0.266 319 A C 1.158 178.888 177.584 0.242 0.000 1.315 319 A CA 1.756 53.815 52.037 0.036 0.000 0.783 319 A CB -1.879 17.210 19.000 0.148 0.000 1.083 319 A HN 2.427 nan 8.150 nan 0.000 0.344 320 F N -2.742 117.314 119.950 0.176 0.000 3.069 320 F HA -0.346 4.185 4.527 0.006 0.000 0.285 320 F C 1.238 177.242 175.800 0.339 0.000 0.827 320 F CA 1.336 59.526 58.000 0.316 0.000 1.108 320 F CB -2.379 36.828 39.000 0.345 0.000 1.252 320 F HN 0.695 nan 8.300 nan 0.000 0.483 321 N N 0.383 119.263 118.700 0.301 0.000 2.084 321 N HA -0.185 4.559 4.740 0.006 0.000 0.190 321 N C 1.865 177.486 175.510 0.186 0.000 1.030 321 N CA 1.390 54.582 53.050 0.238 0.000 0.849 321 N CB -0.087 38.472 38.487 0.121 0.000 1.012 321 N HN 0.327 nan 8.380 nan 0.000 0.423 322 L N 0.157 121.452 121.223 0.121 0.000 2.012 322 L HA 0.026 4.369 4.340 0.006 0.000 0.210 322 L C 2.065 178.971 176.870 0.059 0.000 1.073 322 L CA 2.179 57.047 54.840 0.047 0.000 0.748 322 L CB -1.116 40.950 42.059 0.011 0.000 0.891 322 L HN 0.285 nan 8.230 nan 0.000 0.431 323 G N -2.406 106.513 108.800 0.198 0.000 2.453 323 G HA2 -0.156 3.808 3.960 0.006 0.000 0.215 323 G HA3 -0.156 3.808 3.960 0.006 0.000 0.215 323 G C 1.161 176.178 174.900 0.196 0.000 1.147 323 G CA 0.426 45.662 45.100 0.226 0.000 0.802 323 G HN 0.415 nan 8.290 nan 0.000 0.535 324 F N -0.414 119.768 119.950 0.387 0.000 2.731 324 F HA 0.460 4.991 4.527 0.006 0.000 0.298 324 F C 1.933 178.015 175.800 0.471 0.000 1.106 324 F CA 0.027 58.276 58.000 0.416 0.000 1.329 324 F CB 0.448 39.541 39.000 0.154 0.000 1.100 324 F HN 0.052 nan 8.300 nan 0.000 0.592 325 I N -2.040 118.805 120.570 0.458 0.000 3.534 325 I HA -0.064 4.109 4.170 0.006 0.000 0.251 325 I C 2.037 178.210 176.117 0.093 0.000 1.136 325 I CA 0.509 62.024 61.300 0.359 0.000 1.475 325 I CB -0.518 37.663 38.000 0.302 0.000 1.526 325 I HN -0.221 nan 8.210 nan 0.000 0.454 326 T N 2.100 116.664 114.554 0.016 0.000 2.652 326 T HA -0.182 4.171 4.350 0.006 0.000 0.267 326 T C 1.863 176.379 174.700 -0.306 0.000 1.039 326 T CA 1.645 63.684 62.100 -0.100 0.000 1.153 326 T CB -0.346 68.481 68.868 -0.069 0.000 0.863 326 T HN 0.078 nan 8.240 nan 0.000 0.428 327 L N 2.584 123.545 121.223 -0.436 0.000 2.012 327 L HA -0.026 4.317 4.340 0.006 0.000 0.210 327 L C -0.690 175.565 176.870 -1.026 0.000 1.073 327 L CA 1.948 56.250 54.840 -0.897 0.000 0.748 327 L CB -1.258 40.074 42.059 -1.213 0.000 0.891 327 L HN 0.167 nan 8.230 nan 0.000 0.431 328 P HA -0.148 nan 4.420 nan 0.000 0.218 328 P C 1.356 178.192 177.300 -0.774 0.000 1.149 328 P CA 1.903 64.757 63.100 -0.410 0.000 0.817 328 P CB -0.123 31.656 31.700 0.131 0.000 0.785 329 A N 0.238 122.411 122.820 -1.079 0.000 1.873 329 A HA -0.136 4.188 4.320 0.006 0.000 0.215 329 A C 2.379 179.646 177.584 -0.528 0.000 1.186 329 A CA 1.295 52.644 52.037 -1.145 0.000 0.616 329 A CB -1.530 17.149 19.000 -0.536 0.000 0.823 329 A HN 0.094 nan 8.150 nan 0.000 0.442 330 I N -1.318 118.917 120.570 -0.558 0.000 2.179 330 I HA -0.241 3.932 4.170 0.006 0.000 0.242 330 I C 2.212 178.061 176.117 -0.447 0.000 1.088 330 I CA 1.233 62.081 61.300 -0.755 0.000 1.357 330 I CB -0.420 36.975 38.000 -1.007 0.000 1.051 330 I HN 0.247 nan 8.210 nan 0.000 0.409 331 F N 1.330 121.023 119.950 -0.428 0.000 2.161 331 F HA -0.214 4.316 4.527 0.005 0.000 0.300 331 F C 3.019 178.767 175.800 -0.086 0.000 1.089 331 F CA 1.366 59.225 58.000 -0.234 0.000 1.282 331 F CB -1.584 37.311 39.000 -0.175 0.000 1.010 331 F HN 0.200 nan 8.300 nan 0.000 0.485 332 S N -0.595 115.176 115.700 0.117 0.000 2.469 332 S HA -0.173 4.300 4.470 0.006 0.000 0.238 332 S C 1.460 176.149 174.600 0.148 0.000 0.998 332 S CA 0.809 59.119 58.200 0.184 0.000 0.957 332 S CB -0.406 62.968 63.200 0.291 0.000 0.764 332 S HN 0.370 nan 8.310 nan 0.000 0.514 333 Q N 1.809 121.674 119.800 0.109 0.000 2.365 333 Q HA 0.188 4.531 4.340 0.006 0.000 0.203 333 Q C 0.592 176.689 176.000 0.161 0.000 0.929 333 Q CA 0.515 56.411 55.803 0.155 0.000 0.948 333 Q CB 0.220 29.106 28.738 0.246 0.000 1.043 333 Q HN 0.878 nan 8.270 nan 0.000 0.505 334 T N -3.638 110.994 114.554 0.130 0.000 2.916 334 T HA 0.739 5.093 4.350 0.006 0.000 0.292 334 T C -0.252 174.495 174.700 0.077 0.000 1.055 334 T CA -0.856 61.306 62.100 0.103 0.000 1.009 334 T CB 2.082 70.998 68.868 0.081 0.000 1.118 334 T HN 0.067 nan 8.240 nan 0.000 0.497 335 A N 0.460 123.314 122.820 0.056 0.000 2.488 335 A HA 0.552 4.875 4.320 0.006 0.000 0.249 335 A C 1.623 179.240 177.584 0.055 0.000 1.083 335 A CA 0.287 52.354 52.037 0.049 0.000 0.768 335 A CB -1.370 17.649 19.000 0.032 0.000 1.017 335 A HN 2.439 nan 8.150 nan 0.000 0.496 336 G N 1.675 110.518 108.800 0.072 0.000 2.153 336 G HA2 -0.155 3.808 3.960 0.006 0.000 0.252 336 G HA3 -0.155 3.808 3.960 0.006 0.000 0.252 336 G C 1.222 176.218 174.900 0.159 0.000 0.994 336 G CA 0.933 46.099 45.100 0.110 0.000 0.698 336 G HN 1.860 nan 8.290 nan 0.000 0.521 337 G N -0.527 108.352 108.800 0.131 0.000 2.450 337 G HA2 -0.045 3.919 3.960 0.006 0.000 0.220 337 G HA3 -0.045 3.919 3.960 0.006 0.000 0.220 337 G C 1.633 176.703 174.900 0.284 0.000 1.130 337 G CA 2.216 47.404 45.100 0.147 0.000 0.760 337 G HN 0.629 nan 8.290 nan 0.000 0.557 338 T N 0.447 115.192 114.554 0.318 0.000 2.821 338 T HA -0.078 4.275 4.350 0.006 0.000 0.267 338 T C 1.902 176.919 174.700 0.528 0.000 1.046 338 T CA 0.889 63.253 62.100 0.440 0.000 1.139 338 T CB -0.238 68.785 68.868 0.258 0.000 0.871 338 T HN 0.244 nan 8.240 nan 0.000 0.454 339 F N 1.346 121.453 119.950 0.262 0.000 2.234 339 F HA 0.052 4.582 4.527 0.005 0.000 0.299 339 F C 1.869 177.847 175.800 0.295 0.000 1.087 339 F CA 0.543 58.711 58.000 0.280 0.000 1.340 339 F CB -0.277 38.814 39.000 0.152 0.000 1.031 339 F HN -0.003 nan 8.300 nan 0.000 0.500 340 L N 0.138 121.485 121.223 0.206 0.000 2.083 340 L HA -0.104 4.240 4.340 0.006 0.000 0.209 340 L C 2.660 179.550 176.870 0.034 0.000 1.083 340 L CA 1.935 56.730 54.840 -0.075 0.000 0.752 340 L CB -2.157 39.570 42.059 -0.554 0.000 0.899 340 L HN 0.313 nan 8.230 nan 0.000 0.433 341 G N -1.022 107.950 108.800 0.288 0.000 2.418 341 G HA2 -0.349 3.614 3.960 0.006 0.000 0.217 341 G HA3 -0.349 3.614 3.960 0.006 0.000 0.217 341 G C 1.574 176.580 174.900 0.178 0.000 1.158 341 G CA 0.686 45.945 45.100 0.264 0.000 0.771 341 G HN 0.371 nan 8.290 nan 0.000 0.545 342 F N 1.538 121.593 119.950 0.175 0.000 2.095 342 F HA -0.032 4.498 4.527 0.006 0.000 0.298 342 F C 2.368 178.159 175.800 -0.016 0.000 1.104 342 F CA 1.305 59.375 58.000 0.118 0.000 1.232 342 F CB -0.437 38.513 39.000 -0.084 0.000 0.987 342 F HN 0.062 nan 8.300 nan 0.000 0.475 343 L N -0.525 120.367 121.223 -0.551 0.000 2.083 343 L HA -0.255 4.089 4.340 0.006 0.000 0.209 343 L C 2.621 179.334 176.870 -0.263 0.000 1.083 343 L CA 1.669 56.172 54.840 -0.562 0.000 0.752 343 L CB -1.107 40.774 42.059 -0.295 0.000 0.899 343 L HN 0.558 nan 8.230 nan 0.000 0.433 344 W N 0.923 122.000 121.300 -0.372 0.000 2.354 344 W HA -0.259 4.405 4.660 0.007 0.000 0.315 344 W C 2.117 178.307 176.519 -0.549 0.000 1.206 344 W CA 1.234 58.304 57.345 -0.458 0.000 1.290 344 W CB -0.296 28.848 29.460 -0.526 0.000 1.152 344 W HN 0.055 nan 8.180 nan 0.000 0.489 345 F N -0.236 119.516 119.950 -0.329 0.000 2.325 345 F HA -0.095 4.436 4.527 0.006 0.000 0.299 345 F C 2.217 177.856 175.800 -0.269 0.000 1.090 345 F CA 1.141 58.893 58.000 -0.412 0.000 1.392 345 F CB -1.565 37.349 39.000 -0.144 0.000 1.053 345 F HN -0.163 nan 8.300 nan 0.000 0.521 346 F N 0.218 119.960 119.950 -0.346 0.000 2.146 346 F HA -0.138 4.392 4.527 0.005 0.000 0.298 346 F C 2.218 177.838 175.800 -0.301 0.000 1.096 346 F CA 0.950 58.731 58.000 -0.365 0.000 1.275 346 F CB -0.501 38.012 39.000 -0.812 0.000 1.008 346 F HN -0.042 nan 8.300 nan 0.000 0.480 347 L N 0.348 121.387 121.223 -0.305 0.000 2.017 347 L HA -0.191 4.153 4.340 0.006 0.000 0.208 347 L C 2.036 178.642 176.870 -0.441 0.000 1.073 347 L CA 1.884 56.492 54.840 -0.387 0.000 0.745 347 L CB -0.972 40.811 42.059 -0.460 0.000 0.894 347 L HN 0.213 nan 8.230 nan 0.000 0.432 348 L N -1.583 119.306 121.223 -0.556 0.000 2.083 348 L HA -0.212 4.131 4.340 0.006 0.000 0.209 348 L C 2.488 179.272 176.870 -0.144 0.000 1.083 348 L CA 1.367 55.941 54.840 -0.443 0.000 0.752 348 L CB -0.771 40.922 42.059 -0.610 0.000 0.899 348 L HN 0.338 nan 8.230 nan 0.000 0.433 349 F N 0.352 120.174 119.950 -0.214 0.000 2.102 349 F HA -0.247 4.283 4.527 0.005 0.000 0.298 349 F C 2.236 178.071 175.800 0.058 0.000 1.105 349 F CA 1.407 59.357 58.000 -0.084 0.000 1.239 349 F CB -0.396 38.539 39.000 -0.109 0.000 0.991 349 F HN -0.102 nan 8.300 nan 0.000 0.474 350 F N 0.566 120.222 119.950 -0.489 0.000 2.186 350 F HA -0.001 4.530 4.527 0.006 0.000 0.299 350 F C 2.574 178.235 175.800 -0.232 0.000 1.090 350 F CA 0.799 58.545 58.000 -0.422 0.000 1.307 350 F CB -1.522 37.277 39.000 -0.335 0.000 1.019 350 F HN 0.081 nan 8.300 nan 0.000 0.489 351 A N -0.104 122.720 122.820 0.006 0.000 1.902 351 A HA -0.042 4.281 4.320 0.006 0.000 0.217 351 A C 2.607 180.227 177.584 0.060 0.000 1.181 351 A CA 1.774 53.852 52.037 0.068 0.000 0.623 351 A CB -1.493 17.592 19.000 0.142 0.000 0.818 351 A HN 0.384 nan 8.150 nan 0.000 0.443 352 G N -0.278 108.524 108.800 0.003 0.000 2.404 352 G HA2 -0.097 3.867 3.960 0.006 0.000 0.215 352 G HA3 -0.097 3.867 3.960 0.006 0.000 0.215 352 G C 1.481 176.399 174.900 0.031 0.000 1.174 352 G CA 1.108 46.250 45.100 0.071 0.000 0.780 352 G HN 0.459 nan 8.290 nan 0.000 0.537 353 L N 1.879 122.966 121.223 -0.226 0.000 2.042 353 L HA -0.094 4.249 4.340 0.006 0.000 0.210 353 L C 3.081 179.865 176.870 -0.143 0.000 1.076 353 L CA 2.893 57.555 54.840 -0.297 0.000 0.749 353 L CB -1.104 40.565 42.059 -0.650 0.000 0.893 353 L HN 0.383 nan 8.230 nan 0.000 0.432 354 T N -4.841 109.681 114.554 -0.054 0.000 3.007 354 T HA -0.065 4.288 4.350 0.006 0.000 0.270 354 T C 1.837 176.529 174.700 -0.013 0.000 1.107 354 T CA 1.332 63.451 62.100 0.032 0.000 1.118 354 T CB -0.433 68.455 68.868 0.033 0.000 0.889 354 T HN 0.328 nan 8.240 nan 0.000 0.506 355 S N 1.525 117.198 115.700 -0.044 0.000 2.441 355 S HA 0.029 4.503 4.470 0.006 0.000 0.224 355 S C 2.452 176.894 174.600 -0.262 0.000 1.043 355 S CA 0.701 58.800 58.200 -0.168 0.000 0.948 355 S CB -0.171 62.939 63.200 -0.151 0.000 0.810 355 S HN 0.816 nan 8.310 nan 0.000 0.504 356 S N 3.080 118.707 115.700 -0.121 0.000 2.402 356 S HA -0.057 4.416 4.470 0.006 0.000 0.229 356 S C 1.969 176.504 174.600 -0.109 0.000 1.021 356 S CA 1.052 59.178 58.200 -0.122 0.000 0.974 356 S CB -0.982 62.257 63.200 0.065 0.000 0.800 356 S HN 0.699 nan 8.310 nan 0.000 0.484 357 I N 0.058 120.581 120.570 -0.079 0.000 2.493 357 I HA 0.085 4.258 4.170 0.006 0.000 0.254 357 I C 2.507 178.643 176.117 0.033 0.000 1.160 357 I CA 1.128 62.406 61.300 -0.037 0.000 1.445 357 I CB -0.772 37.202 38.000 -0.043 0.000 1.086 357 I HN 0.318 nan 8.210 nan 0.000 0.433 358 A N 2.688 125.490 122.820 -0.031 0.000 1.968 358 A HA 0.036 4.359 4.320 0.006 0.000 0.217 358 A C 2.275 179.751 177.584 -0.180 0.000 1.169 358 A CA 1.450 53.402 52.037 -0.140 0.000 0.638 358 A CB -0.704 18.004 19.000 -0.487 0.000 0.812 358 A HN 0.712 nan 8.150 nan 0.000 0.446 359 I N -5.020 115.421 120.570 -0.216 0.000 3.793 359 I HA 0.226 4.399 4.170 0.006 0.000 0.315 359 I C 1.783 177.853 176.117 -0.078 0.000 1.275 359 I CA 0.499 61.686 61.300 -0.189 0.000 1.214 359 I CB -0.004 37.807 38.000 -0.314 0.000 1.018 359 I HN 0.117 nan 8.210 nan 0.000 0.439 360 M N 0.332 119.912 119.600 -0.034 0.000 2.567 360 M HA 0.048 4.532 4.480 0.006 0.000 0.261 360 M C 2.071 178.404 176.300 0.054 0.000 1.180 360 M CA 0.610 55.919 55.300 0.015 0.000 1.143 360 M CB 0.191 32.798 32.600 0.012 0.000 1.319 360 M HN 0.158 nan 8.290 nan 0.000 0.490 361 Q N 1.290 121.139 119.800 0.081 0.000 2.226 361 Q HA -0.085 4.258 4.340 0.006 0.000 0.204 361 Q C -1.106 174.980 176.000 0.144 0.000 0.975 361 Q CA 1.883 57.765 55.803 0.132 0.000 0.866 361 Q CB -1.117 27.770 28.738 0.248 0.000 0.915 361 Q HN 0.236 nan 8.270 nan 0.000 0.440 362 P HA -0.130 nan 4.420 nan 0.000 0.215 362 P C 1.111 178.483 177.300 0.119 0.000 1.157 362 P CA 1.328 64.490 63.100 0.104 0.000 0.863 362 P CB -0.127 31.605 31.700 0.053 0.000 0.787 363 M N -1.048 118.613 119.600 0.102 0.000 2.117 363 M HA -0.093 4.390 4.480 0.006 0.000 0.262 363 M C 1.838 178.249 176.300 0.187 0.000 1.065 363 M CA 1.760 57.142 55.300 0.137 0.000 1.114 363 M CB -1.198 31.473 32.600 0.118 0.000 1.361 363 M HN -0.201 nan 8.290 nan 0.000 0.408 364 I N -0.257 120.398 120.570 0.141 0.000 2.226 364 I HA -0.265 3.908 4.170 0.006 0.000 0.245 364 I C 2.374 178.556 176.117 0.108 0.000 1.100 364 I CA 1.219 62.589 61.300 0.117 0.000 1.374 364 I CB -0.746 37.298 38.000 0.073 0.000 1.057 364 I HN 0.384 nan 8.210 nan 0.000 0.413 365 A N 0.552 123.452 122.820 0.134 0.000 1.902 365 A HA -0.254 4.069 4.320 0.006 0.000 0.217 365 A C 2.234 179.871 177.584 0.088 0.000 1.181 365 A CA 1.434 53.546 52.037 0.125 0.000 0.623 365 A CB -0.953 18.140 19.000 0.156 0.000 0.818 365 A HN 0.468 nan 8.150 nan 0.000 0.443 366 F N 0.732 120.684 119.950 0.002 0.000 2.102 366 F HA -0.140 4.390 4.527 0.006 0.000 0.298 366 F C 1.867 177.646 175.800 -0.035 0.000 1.105 366 F CA 1.780 59.763 58.000 -0.027 0.000 1.239 366 F CB -0.320 38.647 39.000 -0.056 0.000 0.991 366 F HN 0.135 nan 8.300 nan 0.000 0.474 367 L N 0.002 121.198 121.223 -0.044 0.000 2.083 367 L HA -0.196 4.148 4.340 0.006 0.000 0.209 367 L C 2.336 179.102 176.870 -0.173 0.000 1.083 367 L CA 1.690 56.447 54.840 -0.137 0.000 0.752 367 L CB -0.744 41.355 42.059 0.068 0.000 0.899 367 L HN 0.247 nan 8.230 nan 0.000 0.433 368 E N -0.117 120.021 120.200 -0.103 0.000 2.033 368 E HA -0.165 4.188 4.350 0.006 0.000 0.189 368 E C 1.772 178.282 176.600 -0.151 0.000 0.979 368 E CA 1.125 57.467 56.400 -0.097 0.000 0.802 368 E CB -0.010 29.658 29.700 -0.053 0.000 0.763 368 E HN 0.435 nan 8.360 nan 0.000 0.449 369 D N 0.723 121.025 120.400 -0.163 0.000 2.097 369 D HA -0.131 4.512 4.640 0.006 0.000 0.197 369 D C 1.843 178.008 176.300 -0.225 0.000 0.984 369 D CA 1.082 54.974 54.000 -0.180 0.000 0.826 369 D CB -0.063 40.663 40.800 -0.123 0.000 0.973 369 D HN 0.130 nan 8.370 nan 0.000 0.460 370 E N -0.166 119.801 120.200 -0.388 0.000 2.216 370 E HA 0.119 4.473 4.350 0.006 0.000 0.192 370 E C 2.033 178.362 176.600 -0.452 0.000 0.973 370 E CA 0.126 56.252 56.400 -0.457 0.000 0.851 370 E CB 0.312 29.563 29.700 -0.749 0.000 0.804 370 E HN 0.300 nan 8.360 nan 0.000 0.477 371 L N 0.687 121.620 121.223 -0.482 0.000 2.693 371 L HA 0.167 4.510 4.340 0.006 0.000 0.235 371 L C -0.094 176.656 176.870 -0.201 0.000 1.127 371 L CA -0.154 54.492 54.840 -0.324 0.000 0.914 371 L CB 0.211 42.082 42.059 -0.312 0.000 1.193 371 L HN -0.148 nan 8.230 nan 0.000 0.502 372 K N 0.593 120.881 120.400 -0.187 0.000 3.069 372 K HA -0.165 4.158 4.320 0.006 0.000 0.267 372 K C -0.058 176.500 176.600 -0.070 0.000 1.082 372 K CA 0.754 56.969 56.287 -0.120 0.000 0.782 372 K CB -2.326 30.113 32.500 -0.103 0.000 1.230 372 K HN 0.348 nan 8.250 nan 0.000 0.488 373 L N 0.976 122.167 121.223 -0.053 0.000 2.453 373 L HA 0.154 4.498 4.340 0.006 0.000 0.261 373 L C 1.496 178.371 176.870 0.007 0.000 1.179 373 L CA -0.275 54.584 54.840 0.031 0.000 0.813 373 L CB 0.710 42.823 42.059 0.090 0.000 1.110 373 L HN 0.261 nan 8.230 nan 0.000 0.466 374 S N 0.900 116.604 115.700 0.006 0.000 2.593 374 S HA 0.117 4.590 4.470 0.006 0.000 0.269 374 S C 0.962 175.525 174.600 -0.062 0.000 1.334 374 S CA -0.528 57.618 58.200 -0.090 0.000 1.015 374 S CB 1.209 64.266 63.200 -0.237 0.000 0.912 374 S HN 0.714 nan 8.310 nan 0.000 0.541 375 R N 1.217 121.664 120.500 -0.088 0.000 2.105 375 R HA -0.148 4.196 4.340 0.006 0.000 0.239 375 R C 2.284 178.553 176.300 -0.052 0.000 1.135 375 R CA 1.805 57.863 56.100 -0.070 0.000 0.967 375 R CB -0.377 29.858 30.300 -0.107 0.000 0.861 375 R HN 0.857 nan 8.270 nan 0.000 0.442 376 K N -0.434 119.905 120.400 -0.101 0.000 2.032 376 K HA -0.217 4.107 4.320 0.006 0.000 0.209 376 K C 1.764 178.393 176.600 0.048 0.000 1.048 376 K CA 2.102 58.341 56.287 -0.080 0.000 0.927 376 K CB -0.213 32.189 32.500 -0.163 0.000 0.712 376 K HN 0.502 nan 8.250 nan 0.000 0.441 377 H N -0.902 118.197 119.070 0.049 0.000 2.395 377 H HA -0.017 4.542 4.556 0.006 0.000 0.299 377 H C 2.064 177.535 175.328 0.239 0.000 1.070 377 H CA 0.558 56.692 56.048 0.143 0.000 1.356 377 H CB 0.110 29.996 29.762 0.206 0.000 1.401 377 H HN 0.388 nan 8.280 nan 0.000 0.524 378 A N 0.686 123.671 122.820 0.276 0.000 1.902 378 A HA -0.127 4.197 4.320 0.006 0.000 0.217 378 A C 2.561 180.259 177.584 0.189 0.000 1.181 378 A CA 1.405 53.575 52.037 0.222 0.000 0.623 378 A CB -0.730 18.337 19.000 0.113 0.000 0.818 378 A HN 0.195 nan 8.150 nan 0.000 0.443 379 V N 0.127 120.104 119.914 0.106 0.000 2.307 379 V HA -0.226 3.898 4.120 0.006 0.000 0.245 379 V C 2.565 178.696 176.094 0.061 0.000 1.045 379 V CA 1.839 64.172 62.300 0.055 0.000 1.024 379 V CB -0.735 31.078 31.823 -0.017 0.000 0.651 379 V HN 0.557 nan 8.190 nan 0.000 0.449 380 L N -1.844 119.406 121.223 0.045 0.000 2.046 380 L HA -0.194 4.149 4.340 0.006 0.000 0.208 380 L C 2.411 179.259 176.870 -0.038 0.000 1.077 380 L CA 1.984 56.797 54.840 -0.044 0.000 0.747 380 L CB -0.509 41.476 42.059 -0.123 0.000 0.896 380 L HN 0.390 nan 8.230 nan 0.000 0.432 381 W N 0.031 121.378 121.300 0.079 0.000 2.388 381 W HA -0.155 4.508 4.660 0.005 0.000 0.294 381 W C 2.700 179.289 176.519 0.116 0.000 1.212 381 W CA 1.263 58.663 57.345 0.092 0.000 1.271 381 W CB -0.428 29.091 29.460 0.099 0.000 1.126 381 W HN 0.012 nan 8.180 nan 0.000 0.535 382 T N 0.032 114.786 114.554 0.333 0.000 2.708 382 T HA -0.206 4.148 4.350 0.006 0.000 0.266 382 T C 1.965 176.789 174.700 0.207 0.000 1.037 382 T CA 1.773 64.023 62.100 0.250 0.000 1.146 382 T CB -0.752 68.223 68.868 0.178 0.000 0.865 382 T HN 0.182 nan 8.240 nan 0.000 0.435 383 A N 1.411 124.317 122.820 0.144 0.000 1.933 383 A HA 0.120 4.443 4.320 0.006 0.000 0.218 383 A C 2.626 180.326 177.584 0.194 0.000 1.175 383 A CA 1.888 53.993 52.037 0.114 0.000 0.628 383 A CB -1.072 17.939 19.000 0.018 0.000 0.814 383 A HN 0.510 nan 8.150 nan 0.000 0.444 384 A N -0.082 122.848 122.820 0.184 0.000 1.902 384 A HA -0.074 4.250 4.320 0.006 0.000 0.217 384 A C 2.119 179.931 177.584 0.380 0.000 1.181 384 A CA 1.519 53.707 52.037 0.252 0.000 0.623 384 A CB -0.577 18.489 19.000 0.111 0.000 0.818 384 A HN 0.503 nan 8.150 nan 0.000 0.443 385 I N -0.558 120.224 120.570 0.354 0.000 2.252 385 I HA -0.196 3.978 4.170 0.006 0.000 0.245 385 I C 2.324 178.666 176.117 0.376 0.000 1.102 385 I CA 1.031 62.546 61.300 0.358 0.000 1.385 385 I CB -0.285 37.900 38.000 0.308 0.000 1.064 385 I HN 0.151 nan 8.210 nan 0.000 0.414 386 V N 0.649 120.757 119.914 0.324 0.000 2.307 386 V HA -0.291 3.832 4.120 0.006 0.000 0.245 386 V C 2.275 178.599 176.094 0.383 0.000 1.045 386 V CA 1.864 64.346 62.300 0.303 0.000 1.024 386 V CB -0.694 31.271 31.823 0.237 0.000 0.651 386 V HN 0.360 nan 8.190 nan 0.000 0.449 387 F N 0.672 120.788 119.950 0.277 0.000 2.069 387 F HA -0.240 4.290 4.527 0.006 0.000 0.298 387 F C 2.137 178.229 175.800 0.487 0.000 1.113 387 F CA 1.917 60.122 58.000 0.342 0.000 1.214 387 F CB -0.652 38.470 39.000 0.204 0.000 0.978 387 F HN 0.199 nan 8.300 nan 0.000 0.474 388 F N 0.859 120.916 119.950 0.179 0.000 2.075 388 F HA -0.180 4.350 4.527 0.006 0.000 0.297 388 F C 2.527 178.382 175.800 0.092 0.000 1.113 388 F CA 2.178 60.203 58.000 0.041 0.000 1.218 388 F CB -1.094 37.965 39.000 0.099 0.000 0.984 388 F HN -0.053 nan 8.300 nan 0.000 0.472 389 S N 0.598 116.346 115.700 0.080 0.000 2.400 389 S HA -0.186 4.288 4.470 0.006 0.000 0.232 389 S C 2.222 176.736 174.600 -0.143 0.000 1.025 389 S CA 0.990 59.159 58.200 -0.051 0.000 0.993 389 S CB -0.923 62.478 63.200 0.335 0.000 0.808 389 S HN 0.566 nan 8.310 nan 0.000 0.478 390 A N 0.934 123.722 122.820 -0.053 0.000 2.125 390 A HA -0.138 4.185 4.320 0.006 0.000 0.219 390 A C 1.583 178.917 177.584 -0.417 0.000 1.156 390 A CA 1.378 53.291 52.037 -0.206 0.000 0.671 390 A CB -0.746 18.144 19.000 -0.182 0.000 0.794 390 A HN 0.538 nan 8.150 nan 0.000 0.459 391 H N -1.302 117.523 119.070 -0.409 0.000 2.489 391 H HA -0.059 4.501 4.556 0.006 0.000 0.293 391 H C 1.778 177.009 175.328 -0.162 0.000 1.066 391 H CA 1.378 57.277 56.048 -0.248 0.000 1.305 391 H CB -0.098 29.494 29.762 -0.283 0.000 1.386 391 H HN 0.429 nan 8.280 nan 0.000 0.551 392 L N -0.104 121.004 121.223 -0.191 0.000 2.056 392 L HA -0.103 4.241 4.340 0.006 0.000 0.207 392 L C 2.018 178.828 176.870 -0.099 0.000 1.078 392 L CA 1.159 55.906 54.840 -0.154 0.000 0.749 392 L CB -0.466 41.441 42.059 -0.253 0.000 0.901 392 L HN 0.097 nan 8.230 nan 0.000 0.433 393 V N -0.538 119.286 119.914 -0.150 0.000 2.427 393 V HA -0.272 3.851 4.120 0.006 0.000 0.248 393 V C 2.482 178.436 176.094 -0.234 0.000 1.051 393 V CA 1.978 64.207 62.300 -0.119 0.000 1.048 393 V CB -0.502 31.284 31.823 -0.060 0.000 0.666 393 V HN 0.428 nan 8.190 nan 0.000 0.456 394 M N -1.617 117.658 119.600 -0.543 0.000 2.319 394 M HA -0.001 4.482 4.480 0.006 0.000 0.265 394 M C 1.645 177.535 176.300 -0.684 0.000 1.068 394 M CA 1.896 56.710 55.300 -0.811 0.000 1.118 394 M CB -0.113 31.752 32.600 -1.225 0.000 1.395 394 M HN 0.331 nan 8.290 nan 0.000 0.435 395 F N -1.065 118.772 119.950 -0.189 0.000 2.727 395 F HA 0.270 4.800 4.527 0.006 0.000 0.302 395 F C 0.285 176.027 175.800 -0.097 0.000 1.107 395 F CA -0.362 57.564 58.000 -0.123 0.000 1.277 395 F CB 0.560 39.492 39.000 -0.114 0.000 1.079 395 F HN -0.087 nan 8.300 nan 0.000 0.594 396 L N 1.245 122.496 121.223 0.046 0.000 2.276 396 L HA 0.407 4.751 4.340 0.006 0.000 0.286 396 L C -0.177 176.673 176.870 -0.033 0.000 1.024 396 L CA -0.659 54.182 54.840 0.001 0.000 0.826 396 L CB 0.363 42.420 42.059 -0.003 0.000 1.211 396 L HN -0.099 nan 8.230 nan 0.000 0.422 397 N N 4.473 123.136 118.700 -0.061 0.000 2.412 397 N HA 0.056 4.800 4.740 0.006 0.000 0.258 397 N C 0.254 175.722 175.510 -0.070 0.000 1.236 397 N CA 0.631 53.635 53.050 -0.077 0.000 0.882 397 N CB 0.378 38.794 38.487 -0.118 0.000 1.066 397 N HN 0.465 nan 8.380 nan 0.000 0.465 398 K N 0.135 120.511 120.400 -0.039 0.000 3.553 398 K HA -0.201 4.123 4.320 0.006 0.000 0.303 398 K C 1.203 177.796 176.600 -0.011 0.000 1.327 398 K CA 1.139 57.407 56.287 -0.031 0.000 0.983 398 K CB -2.153 30.312 32.500 -0.058 0.000 1.275 398 K HN 0.515 nan 8.250 nan 0.000 0.453 399 S N 0.731 116.433 115.700 0.003 0.000 2.368 399 S HA 0.005 4.479 4.470 0.006 0.000 0.225 399 S C 1.813 176.428 174.600 0.026 0.000 1.030 399 S CA 1.408 59.627 58.200 0.031 0.000 0.999 399 S CB -0.053 63.164 63.200 0.028 0.000 0.844 399 S HN 0.426 nan 8.310 nan 0.000 0.459 400 L N 1.150 122.381 121.223 0.013 0.000 2.012 400 L HA -0.194 4.150 4.340 0.006 0.000 0.210 400 L C 1.787 178.535 176.870 -0.203 0.000 1.073 400 L CA 2.488 57.290 54.840 -0.064 0.000 0.748 400 L CB -0.657 41.437 42.059 0.058 0.000 0.891 400 L HN 0.283 nan 8.230 nan 0.000 0.431 401 D N -0.580 119.766 120.400 -0.090 0.000 2.117 401 D HA -0.233 4.411 4.640 0.006 0.000 0.197 401 D C 2.059 178.322 176.300 -0.061 0.000 0.987 401 D CA 1.241 55.181 54.000 -0.100 0.000 0.829 401 D CB -0.050 40.707 40.800 -0.072 0.000 0.961 401 D HN 0.349 nan 8.370 nan 0.000 0.460 402 E N 0.066 120.269 120.200 0.005 0.000 2.077 402 E HA -0.108 4.245 4.350 0.006 0.000 0.193 402 E C 1.958 178.705 176.600 0.245 0.000 0.989 402 E CA 1.018 57.502 56.400 0.139 0.000 0.800 402 E CB -0.084 29.725 29.700 0.182 0.000 0.746 402 E HN 0.269 nan 8.360 nan 0.000 0.452 403 M N -0.155 119.525 119.600 0.135 0.000 2.132 403 M HA -0.113 4.370 4.480 0.006 0.000 0.263 403 M C 1.931 178.299 176.300 0.113 0.000 1.065 403 M CA 1.797 57.204 55.300 0.178 0.000 1.122 403 M CB -0.300 32.431 32.600 0.217 0.000 1.365 403 M HN 0.067 nan 8.290 nan 0.000 0.411 404 D N 0.168 120.424 120.400 -0.240 0.000 2.178 404 D HA -0.192 4.452 4.640 0.006 0.000 0.201 404 D C 1.635 177.982 176.300 0.080 0.000 0.980 404 D CA 1.146 55.063 54.000 -0.138 0.000 0.842 404 D CB 0.052 40.632 40.800 -0.367 0.000 0.948 404 D HN 0.269 nan 8.370 nan 0.000 0.472 405 F N -0.633 119.238 119.950 -0.133 0.000 2.074 405 F HA 0.020 4.550 4.527 0.005 0.000 0.290 405 F C 1.629 177.265 175.800 -0.274 0.000 1.118 405 F CA 1.283 59.121 58.000 -0.271 0.000 1.199 405 F CB -0.790 37.905 39.000 -0.507 0.000 1.012 405 F HN 0.013 nan 8.300 nan 0.000 0.472 406 W N 0.309 121.555 121.300 -0.091 0.000 2.358 406 W HA -0.080 4.584 4.660 0.007 0.000 0.303 406 W C 2.507 179.011 176.519 -0.026 0.000 1.208 406 W CA 1.606 58.871 57.345 -0.133 0.000 1.274 406 W CB -0.782 28.792 29.460 0.190 0.000 1.138 406 W HN 0.151 nan 8.180 nan 0.000 0.515 407 A N -0.363 122.585 122.820 0.212 0.000 1.887 407 A HA 0.217 4.541 4.320 0.006 0.000 0.210 407 A C 2.132 179.740 177.584 0.041 0.000 1.221 407 A CA 1.184 53.277 52.037 0.093 0.000 0.635 407 A CB -1.313 17.579 19.000 -0.180 0.000 0.881 407 A HN 0.214 nan 8.150 nan 0.000 0.456 408 G N -1.580 107.331 108.800 0.186 0.000 2.744 408 G HA2 0.209 4.172 3.960 0.006 0.000 0.211 408 G HA3 0.209 4.172 3.960 0.006 0.000 0.211 408 G C 1.106 176.141 174.900 0.226 0.000 1.143 408 G CA 1.616 46.918 45.100 0.338 0.000 0.788 408 G HN 0.451 nan 8.290 nan 0.000 0.534 409 T N 0.105 114.635 114.554 -0.039 0.000 3.272 409 T HA 0.187 4.541 4.350 0.006 0.000 0.247 409 T C 2.147 176.588 174.700 -0.432 0.000 0.990 409 T CA -0.083 61.959 62.100 -0.097 0.000 1.213 409 T CB 0.073 68.900 68.868 -0.069 0.000 1.124 409 T HN -0.033 nan 8.240 nan 0.000 0.401 410 I N 2.213 122.248 120.570 -0.892 0.000 2.233 410 I HA 0.038 4.211 4.170 0.006 0.000 0.243 410 I C 2.895 178.743 176.117 -0.449 0.000 1.093 410 I CA 1.577 62.276 61.300 -1.002 0.000 1.380 410 I CB -1.882 35.406 38.000 -1.186 0.000 1.067 410 I HN 0.377 nan 8.210 nan 0.000 0.413 411 G N 1.829 110.477 108.800 -0.253 0.000 2.529 411 G HA2 -0.253 3.710 3.960 0.006 0.000 0.219 411 G HA3 -0.253 3.710 3.960 0.006 0.000 0.219 411 G C 1.831 176.698 174.900 -0.056 0.000 1.177 411 G CA 2.092 47.181 45.100 -0.019 0.000 0.773 411 G HN 0.384 nan 8.290 nan 0.000 0.573 412 V N -0.992 118.775 119.914 -0.246 0.000 2.407 412 V HA -0.131 3.993 4.120 0.006 0.000 0.248 412 V C 2.718 178.504 176.094 -0.512 0.000 1.055 412 V CA 1.867 63.961 62.300 -0.344 0.000 1.049 412 V CB -0.867 30.619 31.823 -0.562 0.000 0.662 412 V HN 0.169 nan 8.190 nan 0.000 0.455 413 V N 0.139 119.645 119.914 -0.680 0.000 2.358 413 V HA -0.177 3.946 4.120 0.006 0.000 0.246 413 V C 2.369 178.319 176.094 -0.240 0.000 1.047 413 V CA 2.503 64.335 62.300 -0.780 0.000 1.035 413 V CB -0.983 30.641 31.823 -0.331 0.000 0.658 413 V HN 0.628 nan 8.190 nan 0.000 0.452 414 F N 0.390 120.195 119.950 -0.242 0.000 2.134 414 F HA -0.211 4.319 4.527 0.005 0.000 0.299 414 F C 2.058 177.827 175.800 -0.051 0.000 1.097 414 F CA 1.698 59.609 58.000 -0.149 0.000 1.264 414 F CB -0.520 38.348 39.000 -0.221 0.000 1.001 414 F HN 0.172 nan 8.300 nan 0.000 0.479 415 F N 1.140 120.892 119.950 -0.330 0.000 2.234 415 F HA 0.091 4.622 4.527 0.005 0.000 0.299 415 F C 2.411 178.135 175.800 -0.127 0.000 1.087 415 F CA 1.344 59.171 58.000 -0.287 0.000 1.340 415 F CB -1.086 37.894 39.000 -0.033 0.000 1.031 415 F HN 0.031 nan 8.300 nan 0.000 0.500 416 G N 0.236 109.049 108.800 0.022 0.000 2.418 416 G HA2 -0.269 3.695 3.960 0.006 0.000 0.217 416 G HA3 -0.269 3.695 3.960 0.006 0.000 0.217 416 G C 1.624 176.491 174.900 -0.055 0.000 1.158 416 G CA 0.961 46.153 45.100 0.153 0.000 0.771 416 G HN 0.396 nan 8.290 nan 0.000 0.545 417 L N 0.935 122.086 121.223 -0.120 0.000 2.056 417 L HA 0.030 4.374 4.340 0.006 0.000 0.207 417 L C 2.878 179.529 176.870 -0.366 0.000 1.078 417 L CA 2.553 57.269 54.840 -0.207 0.000 0.749 417 L CB -1.046 40.918 42.059 -0.159 0.000 0.901 417 L HN 0.174 nan 8.230 nan 0.000 0.433 418 T N 0.355 114.607 114.554 -0.503 0.000 2.684 418 T HA -0.231 4.122 4.350 0.006 0.000 0.267 418 T C 1.605 175.979 174.700 -0.542 0.000 1.036 418 T CA 1.809 63.581 62.100 -0.546 0.000 1.148 418 T CB -0.332 68.140 68.868 -0.659 0.000 0.863 418 T HN 0.714 nan 8.240 nan 0.000 0.436 419 E N 1.178 121.040 120.200 -0.564 0.000 2.106 419 E HA -0.089 4.264 4.350 0.006 0.000 0.192 419 E C 2.353 178.779 176.600 -0.290 0.000 0.984 419 E CA 0.865 56.972 56.400 -0.487 0.000 0.806 419 E CB -0.601 28.895 29.700 -0.340 0.000 0.750 419 E HN 0.437 nan 8.360 nan 0.000 0.458 420 L N 0.801 121.870 121.223 -0.257 0.000 2.027 420 L HA -0.121 4.222 4.340 0.006 0.000 0.206 420 L C 2.557 179.244 176.870 -0.305 0.000 1.074 420 L CA 1.190 55.910 54.840 -0.200 0.000 0.745 420 L CB -0.126 41.774 42.059 -0.264 0.000 0.898 420 L HN 0.157 nan 8.230 nan 0.000 0.433 421 I N -0.117 120.155 120.570 -0.496 0.000 2.163 421 I HA -0.363 3.810 4.170 0.006 0.000 0.243 421 I C 2.403 178.363 176.117 -0.262 0.000 1.085 421 I CA 1.596 62.554 61.300 -0.570 0.000 1.347 421 I CB -0.245 37.454 38.000 -0.503 0.000 1.044 421 I HN 0.272 nan 8.210 nan 0.000 0.408 422 I N -0.338 120.054 120.570 -0.297 0.000 2.226 422 I HA -0.314 3.860 4.170 0.006 0.000 0.245 422 I C 2.451 178.559 176.117 -0.014 0.000 1.100 422 I CA 1.540 62.690 61.300 -0.249 0.000 1.374 422 I CB -0.307 37.403 38.000 -0.482 0.000 1.057 422 I HN 0.183 nan 8.210 nan 0.000 0.413 423 F N 0.484 120.348 119.950 -0.143 0.000 2.179 423 F HA -0.091 4.439 4.527 0.005 0.000 0.292 423 F C 2.023 177.919 175.800 0.158 0.000 1.089 423 F CA 1.343 59.344 58.000 0.002 0.000 1.295 423 F CB -0.315 38.682 39.000 -0.005 0.000 1.041 423 F HN -0.124 nan 8.300 nan 0.000 0.487 424 F N -1.862 118.044 119.950 -0.074 0.000 2.698 424 F HA 0.009 4.540 4.527 0.006 0.000 0.295 424 F C 1.213 177.082 175.800 0.116 0.000 1.124 424 F CA 0.530 58.464 58.000 -0.111 0.000 1.426 424 F CB -0.116 38.815 39.000 -0.114 0.000 1.120 424 F HN -0.026 nan 8.300 nan 0.000 0.583 425 W N -0.653 120.596 121.300 -0.085 0.000 2.922 425 W HA 0.267 4.930 4.660 0.005 0.000 0.260 425 W C 2.120 178.523 176.519 -0.194 0.000 1.088 425 W CA 0.057 57.312 57.345 -0.151 0.000 1.694 425 W CB -1.037 28.345 29.460 -0.130 0.000 1.064 425 W HN -0.205 nan 8.180 nan 0.000 0.611 426 I N -0.573 120.015 120.570 0.031 0.000 2.235 426 I HA -0.242 3.931 4.170 0.006 0.000 0.241 426 I C 2.362 178.451 176.117 -0.047 0.000 1.085 426 I CA 1.360 62.578 61.300 -0.137 0.000 1.378 426 I CB -0.847 36.892 38.000 -0.435 0.000 1.076 426 I HN -0.203 nan 8.210 nan 0.000 0.415 427 F N 1.958 121.822 119.950 -0.142 0.000 2.171 427 F HA 0.084 4.615 4.527 0.006 0.000 0.300 427 F C 1.048 176.726 175.800 -0.202 0.000 1.090 427 F CA 1.167 59.088 58.000 -0.130 0.000 1.293 427 F CB -0.212 38.711 39.000 -0.128 0.000 1.013 427 F HN 0.115 nan 8.300 nan 0.000 0.486 428 G N -0.864 107.759 108.800 -0.295 0.000 3.313 428 G HA2 0.296 4.260 3.960 0.006 0.000 0.659 428 G HA3 0.296 4.260 3.960 0.006 0.000 0.659 428 G C 0.387 174.965 174.900 -0.535 0.000 1.286 428 G CA -0.423 44.426 45.100 -0.418 0.000 1.077 428 G HN 0.614 nan 8.290 nan 0.000 0.551 429 A N 1.766 124.278 122.820 -0.513 0.000 1.892 429 A HA -0.075 4.249 4.320 0.006 0.000 0.218 429 A C 2.051 179.279 177.584 -0.594 0.000 1.188 429 A CA 2.584 54.101 52.037 -0.866 0.000 0.631 429 A CB -0.272 18.428 19.000 -0.500 0.000 0.822 429 A HN 0.692 nan 8.150 nan 0.000 0.447 430 D N -0.866 119.377 120.400 -0.262 0.000 2.183 430 D HA -0.081 4.563 4.640 0.006 0.000 0.203 430 D C 1.907 178.123 176.300 -0.140 0.000 0.969 430 D CA 1.244 55.179 54.000 -0.107 0.000 0.842 430 D CB -0.188 40.544 40.800 -0.113 0.000 0.957 430 D HN 0.492 nan 8.370 nan 0.000 0.484 431 K N 0.653 120.868 120.400 -0.308 0.000 2.103 431 K HA -0.005 4.319 4.320 0.006 0.000 0.204 431 K C 2.096 178.569 176.600 -0.212 0.000 1.052 431 K CA 0.915 57.010 56.287 -0.319 0.000 0.945 431 K CB 0.063 32.136 32.500 -0.713 0.000 0.722 431 K HN -0.020 nan 8.250 nan 0.000 0.443 432 A N 1.036 123.586 122.820 -0.449 0.000 1.873 432 A HA -0.201 4.122 4.320 0.006 0.000 0.215 432 A C 1.949 179.447 177.584 -0.143 0.000 1.186 432 A CA 1.169 52.791 52.037 -0.691 0.000 0.616 432 A CB -0.993 17.129 19.000 -1.463 0.000 0.823 432 A HN 0.641 nan 8.150 nan 0.000 0.442 433 W N 0.977 122.103 121.300 -0.289 0.000 2.338 433 W HA -0.233 4.430 4.660 0.005 0.000 0.304 433 W C 1.941 178.472 176.519 0.020 0.000 1.212 433 W CA 2.278 59.641 57.345 0.029 0.000 1.264 433 W CB -0.186 29.350 29.460 0.126 0.000 1.142 433 W HN 0.575 nan 8.180 nan 0.000 0.512 434 E N 0.869 121.118 120.200 0.082 0.000 2.038 434 E HA -0.326 4.027 4.350 0.006 0.000 0.195 434 E C 1.961 178.553 176.600 -0.013 0.000 1.000 434 E CA 2.217 58.621 56.400 0.007 0.000 0.803 434 E CB -0.544 29.177 29.700 0.034 0.000 0.750 434 E HN 0.080 nan 8.360 nan 0.000 0.448 435 E N 0.362 120.605 120.200 0.072 0.000 2.110 435 E HA -0.150 4.204 4.350 0.006 0.000 0.193 435 E C 1.928 178.596 176.600 0.114 0.000 0.988 435 E CA 1.546 58.040 56.400 0.157 0.000 0.804 435 E CB -0.307 29.568 29.700 0.291 0.000 0.745 435 E HN 0.502 nan 8.360 nan 0.000 0.458 436 I N 0.619 121.231 120.570 0.069 0.000 2.179 436 I HA -0.248 3.926 4.170 0.006 0.000 0.242 436 I C 1.894 177.868 176.117 -0.238 0.000 1.088 436 I CA 1.107 62.382 61.300 -0.042 0.000 1.357 436 I CB -0.332 37.608 38.000 -0.100 0.000 1.051 436 I HN 0.138 nan 8.210 nan 0.000 0.409 437 N N 0.838 119.313 118.700 -0.374 0.000 2.457 437 N HA -0.066 4.678 4.740 0.006 0.000 0.180 437 N C 0.878 176.271 175.510 -0.195 0.000 1.050 437 N CA 0.147 52.967 53.050 -0.383 0.000 0.906 437 N CB -0.076 38.104 38.487 -0.513 0.000 0.968 437 N HN 0.279 nan 8.380 nan 0.000 0.445 438 R N 0.707 121.144 120.500 -0.107 0.000 2.480 438 R HA 0.033 4.376 4.340 0.006 0.000 0.303 438 R C 0.922 177.205 176.300 -0.027 0.000 0.985 438 R CA 1.020 57.098 56.100 -0.037 0.000 1.051 438 R CB -0.133 30.181 30.300 0.024 0.000 0.935 438 R HN 0.301 nan 8.270 nan 0.000 0.410 439 G N 2.609 111.392 108.800 -0.028 0.000 2.184 439 G HA2 -0.277 3.687 3.960 0.006 0.000 0.264 439 G HA3 -0.277 3.687 3.960 0.006 0.000 0.264 439 G C 0.413 175.289 174.900 -0.039 0.000 0.975 439 G CA 0.037 45.126 45.100 -0.018 0.000 0.642 439 G HN 0.957 nan 8.290 nan 0.000 0.536 440 G N -0.451 108.301 108.800 -0.079 0.000 2.380 440 G HA2 0.455 4.419 3.960 0.006 0.000 0.242 440 G HA3 0.455 4.419 3.960 0.006 0.000 0.242 440 G C 1.180 176.031 174.900 -0.082 0.000 1.298 440 G CA 0.011 45.047 45.100 -0.108 0.000 0.878 440 G HN 0.442 nan 8.290 nan 0.000 0.542 441 I N 1.380 121.907 120.570 -0.071 0.000 2.546 441 I HA 0.055 4.229 4.170 0.006 0.000 0.255 441 I C 1.096 177.180 176.117 -0.055 0.000 1.163 441 I CA 0.947 62.217 61.300 -0.050 0.000 1.457 441 I CB -0.296 37.681 38.000 -0.039 0.000 1.092 441 I HN 0.504 nan 8.210 nan 0.000 0.434 442 I N -3.046 117.475 120.570 -0.081 0.000 2.969 442 I HA 0.473 4.647 4.170 0.006 0.000 0.307 442 I C -0.845 175.184 176.117 -0.148 0.000 1.149 442 I CA -1.032 60.219 61.300 -0.081 0.000 1.008 442 I CB 2.033 40.001 38.000 -0.053 0.000 1.232 442 I HN -0.243 nan 8.210 nan 0.000 0.435 443 K N 2.146 122.463 120.400 -0.138 0.000 2.118 443 K HA 0.593 4.916 4.320 0.006 0.000 0.254 443 K C -0.929 175.510 176.600 -0.268 0.000 0.961 443 K CA -0.917 55.242 56.287 -0.214 0.000 0.876 443 K CB 2.474 34.906 32.500 -0.113 0.000 1.077 443 K HN 0.423 nan 8.250 nan 0.000 0.440 444 V N 3.797 123.423 119.914 -0.480 0.000 2.572 444 V HA 0.063 4.186 4.120 0.006 0.000 0.291 444 V C -2.099 174.024 176.094 0.048 0.000 1.039 444 V CA -1.472 60.510 62.300 -0.529 0.000 1.055 444 V CB 0.423 31.672 31.823 -0.956 0.000 0.969 444 V HN 0.649 nan 8.190 nan 0.000 0.482 445 P HA 0.052 nan 4.420 nan 0.000 0.264 445 P C 0.767 178.333 177.300 0.443 0.000 1.183 445 P CA 0.113 63.399 63.100 0.309 0.000 0.763 445 P CB 0.439 32.344 31.700 0.340 0.000 0.807 446 R N 3.494 124.194 120.500 0.333 0.000 2.117 446 R HA -0.193 4.151 4.340 0.006 0.000 0.243 446 R C 1.851 178.284 176.300 0.221 0.000 1.143 446 R CA 1.390 57.644 56.100 0.257 0.000 0.968 446 R CB -0.746 29.648 30.300 0.157 0.000 0.863 446 R HN 0.388 nan 8.270 nan 0.000 0.444 447 I N 0.174 120.867 120.570 0.205 0.000 2.423 447 I HA -0.277 3.897 4.170 0.006 0.000 0.254 447 I C 1.148 177.362 176.117 0.162 0.000 1.151 447 I CA 1.507 62.910 61.300 0.172 0.000 1.421 447 I CB -0.226 37.768 38.000 -0.010 0.000 1.079 447 I HN 0.267 nan 8.210 nan 0.000 0.431 448 Y N -1.553 118.898 120.300 0.251 0.000 2.421 448 Y HA -0.276 4.277 4.550 0.005 0.000 0.292 448 Y C 2.276 178.265 175.900 0.148 0.000 1.136 448 Y CA 1.467 59.716 58.100 0.248 0.000 1.255 448 Y CB -0.430 38.256 38.460 0.376 0.000 0.991 448 Y HN 0.341 nan 8.280 nan 0.000 0.552 449 Y N -0.718 119.518 120.300 -0.107 0.000 2.181 449 Y HA -0.351 4.202 4.550 0.006 0.000 0.288 449 Y C 1.584 177.293 175.900 -0.318 0.000 1.146 449 Y CA 1.650 59.421 58.100 -0.548 0.000 1.164 449 Y CB -0.713 36.913 38.460 -1.391 0.000 0.982 449 Y HN 0.111 nan 8.280 nan 0.000 0.515 450 Y N -1.218 119.156 120.300 0.124 0.000 2.314 450 Y HA -0.137 4.417 4.550 0.006 0.000 0.293 450 Y C 2.469 178.437 175.900 0.114 0.000 1.129 450 Y CA 1.253 59.468 58.100 0.191 0.000 1.201 450 Y CB -0.738 37.864 38.460 0.237 0.000 0.999 450 Y HN -0.017 nan 8.280 nan 0.000 0.541 451 V N -0.100 119.920 119.914 0.178 0.000 2.307 451 V HA -0.335 3.789 4.120 0.006 0.000 0.245 451 V C 2.203 178.301 176.094 0.006 0.000 1.045 451 V CA 1.982 64.350 62.300 0.114 0.000 1.024 451 V CB -0.600 31.304 31.823 0.134 0.000 0.651 451 V HN 0.410 nan 8.190 nan 0.000 0.449 452 M N -0.606 118.910 119.600 -0.140 0.000 2.086 452 M HA -0.192 4.292 4.480 0.006 0.000 0.261 452 M C 2.463 178.458 176.300 -0.508 0.000 1.067 452 M CA 1.956 56.966 55.300 -0.483 0.000 1.116 452 M CB -0.486 31.482 32.600 -1.052 0.000 1.348 452 M HN 0.157 nan 8.290 nan 0.000 0.407 453 R N -0.704 119.527 120.500 -0.449 0.000 2.090 453 R HA -0.125 4.219 4.340 0.006 0.000 0.228 453 R C 1.275 177.433 176.300 -0.235 0.000 1.110 453 R CA 1.547 57.482 56.100 -0.275 0.000 0.973 453 R CB 0.205 30.081 30.300 -0.708 0.000 0.869 453 R HN 0.357 nan 8.270 nan 0.000 0.440 454 Y N -1.443 118.963 120.300 0.176 0.000 2.673 454 Y HA 0.161 4.714 4.550 0.005 0.000 0.278 454 Y C 1.936 177.937 175.900 0.168 0.000 1.127 454 Y CA -0.372 57.855 58.100 0.213 0.000 1.261 454 Y CB -0.009 38.548 38.460 0.163 0.000 1.412 454 Y HN -0.140 nan 8.280 nan 0.000 0.496 455 I N 0.317 121.047 120.570 0.267 0.000 2.133 455 I HA -0.227 3.946 4.170 0.006 0.000 0.238 455 I C 2.048 178.257 176.117 0.153 0.000 1.074 455 I CA 1.853 63.258 61.300 0.175 0.000 1.342 455 I CB -1.675 36.384 38.000 0.098 0.000 1.053 455 I HN 0.212 nan 8.210 nan 0.000 0.404 456 T N 2.747 117.347 114.554 0.077 0.000 2.635 456 T HA -0.100 4.254 4.350 0.006 0.000 0.267 456 T C -0.319 174.455 174.700 0.124 0.000 1.040 456 T CA 2.051 64.195 62.100 0.073 0.000 1.156 456 T CB -1.551 67.299 68.868 -0.030 0.000 0.863 456 T HN 0.329 nan 8.240 nan 0.000 0.430 457 P HA 0.002 nan 4.420 nan 0.000 0.217 457 P C 1.446 178.813 177.300 0.112 0.000 1.150 457 P CA 1.413 64.496 63.100 -0.029 0.000 0.832 457 P CB -0.162 31.388 31.700 -0.250 0.000 0.787 458 A N -0.637 122.305 122.820 0.204 0.000 1.930 458 A HA -0.158 4.166 4.320 0.006 0.000 0.217 458 A C 2.149 179.853 177.584 0.198 0.000 1.175 458 A CA 1.095 53.257 52.037 0.208 0.000 0.627 458 A CB -1.781 17.353 19.000 0.222 0.000 0.815 458 A HN 0.101 nan 8.150 nan 0.000 0.443 459 F N 0.725 120.718 119.950 0.072 0.000 2.075 459 F HA -0.139 4.391 4.527 0.005 0.000 0.297 459 F C 1.968 177.823 175.800 0.092 0.000 1.113 459 F CA 1.813 59.851 58.000 0.064 0.000 1.218 459 F CB -0.280 38.764 39.000 0.073 0.000 0.984 459 F HN 0.132 nan 8.300 nan 0.000 0.472 460 L N -0.383 120.976 121.223 0.227 0.000 2.093 460 L HA -0.167 4.177 4.340 0.006 0.000 0.208 460 L C 2.758 179.673 176.870 0.076 0.000 1.085 460 L CA 1.017 55.944 54.840 0.146 0.000 0.755 460 L CB -1.324 40.858 42.059 0.205 0.000 0.904 460 L HN 0.239 nan 8.230 nan 0.000 0.435 461 A N 0.090 122.957 122.820 0.078 0.000 1.883 461 A HA -0.160 4.163 4.320 0.006 0.000 0.217 461 A C 2.345 179.967 177.584 0.063 0.000 1.186 461 A CA 1.938 54.023 52.037 0.080 0.000 0.624 461 A CB -0.870 18.189 19.000 0.098 0.000 0.822 461 A HN 0.185 nan 8.150 nan 0.000 0.444 462 V N -0.452 119.472 119.914 0.017 0.000 2.295 462 V HA -0.248 3.876 4.120 0.006 0.000 0.246 462 V C 2.498 178.575 176.094 -0.029 0.000 1.049 462 V CA 1.968 64.257 62.300 -0.018 0.000 1.024 462 V CB -0.860 30.916 31.823 -0.078 0.000 0.648 462 V HN 0.540 nan 8.190 nan 0.000 0.447 463 L N -0.580 120.588 121.223 -0.093 0.000 2.012 463 L HA -0.186 4.157 4.340 0.006 0.000 0.210 463 L C 2.270 179.233 176.870 0.154 0.000 1.073 463 L CA 1.921 56.726 54.840 -0.058 0.000 0.748 463 L CB -0.425 41.565 42.059 -0.116 0.000 0.891 463 L HN 0.209 nan 8.230 nan 0.000 0.431 464 L N -1.840 119.504 121.223 0.202 0.000 2.083 464 L HA -0.229 4.114 4.340 0.006 0.000 0.209 464 L C 2.325 179.349 176.870 0.256 0.000 1.083 464 L CA 0.983 55.993 54.840 0.284 0.000 0.752 464 L CB -0.539 41.638 42.059 0.197 0.000 0.899 464 L HN 0.151 nan 8.230 nan 0.000 0.433 465 V N -1.095 118.922 119.914 0.173 0.000 2.358 465 V HA -0.209 3.915 4.120 0.006 0.000 0.246 465 V C 2.408 178.605 176.094 0.171 0.000 1.047 465 V CA 1.291 63.681 62.300 0.149 0.000 1.035 465 V CB -0.270 31.612 31.823 0.099 0.000 0.658 465 V HN 0.187 nan 8.190 nan 0.000 0.452 466 V N -1.249 118.760 119.914 0.159 0.000 2.392 466 V HA -0.263 3.861 4.120 0.006 0.000 0.249 466 V C 2.189 178.473 176.094 0.316 0.000 1.059 466 V CA 1.985 64.382 62.300 0.161 0.000 1.051 466 V CB -0.681 31.206 31.823 0.107 0.000 0.658 466 V HN 0.673 nan 8.190 nan 0.000 0.455 467 W N 0.710 122.136 121.300 0.210 0.000 2.354 467 W HA -0.146 4.519 4.660 0.007 0.000 0.315 467 W C 2.625 179.287 176.519 0.238 0.000 1.206 467 W CA 2.008 59.531 57.345 0.296 0.000 1.290 467 W CB -0.806 28.748 29.460 0.156 0.000 1.152 467 W HN 0.283 nan 8.180 nan 0.000 0.489 468 A N 0.151 123.212 122.820 0.402 0.000 2.015 468 A HA -0.150 4.173 4.320 0.006 0.000 0.219 468 A C 2.099 179.795 177.584 0.188 0.000 1.163 468 A CA 1.466 53.650 52.037 0.245 0.000 0.646 468 A CB -0.530 18.571 19.000 0.169 0.000 0.806 468 A HN 0.324 nan 8.150 nan 0.000 0.448 469 R N -1.200 119.396 120.500 0.159 0.000 2.112 469 R HA 0.063 4.406 4.340 0.006 0.000 0.216 469 R C 0.779 177.079 176.300 -0.001 0.000 1.080 469 R CA 1.249 57.394 56.100 0.075 0.000 0.996 469 R CB 0.038 30.371 30.300 0.055 0.000 0.902 469 R HN 0.430 nan 8.270 nan 0.000 0.449 470 E N -1.502 118.645 120.200 -0.087 0.000 2.693 470 E HA 0.129 4.482 4.350 0.006 0.000 0.214 470 E C -0.493 175.712 176.600 -0.659 0.000 0.990 470 E CA -0.016 56.164 56.400 -0.366 0.000 1.047 470 E CB 0.808 30.205 29.700 -0.505 0.000 1.039 470 E HN 0.234 nan 8.360 nan 0.000 0.475 471 Y N -1.978 118.422 120.300 0.167 0.000 2.713 471 Y HA 0.267 4.820 4.550 0.005 0.000 0.265 471 Y C 1.455 177.445 175.900 0.150 0.000 1.177 471 Y CA -0.392 57.821 58.100 0.188 0.000 1.144 471 Y CB 0.171 38.838 38.460 0.345 0.000 1.360 471 Y HN -0.038 nan 8.280 nan 0.000 0.491 472 I N 1.332 122.103 120.570 0.336 0.000 2.361 472 I HA -0.163 4.010 4.170 0.006 0.000 0.251 472 I C -0.993 175.210 176.117 0.143 0.000 1.133 472 I CA 1.052 62.476 61.300 0.207 0.000 1.413 472 I CB -1.171 36.972 38.000 0.238 0.000 1.073 472 I HN 0.142 nan 8.210 nan 0.000 0.424 473 P HA -0.201 nan 4.420 nan 0.000 0.215 473 P C 1.612 178.957 177.300 0.076 0.000 1.157 473 P CA 1.469 64.628 63.100 0.098 0.000 0.868 473 P CB -0.021 31.721 31.700 0.069 0.000 0.788 474 K N -0.415 120.019 120.400 0.056 0.000 2.057 474 K HA -0.110 4.214 4.320 0.006 0.000 0.207 474 K C 1.974 178.578 176.600 0.007 0.000 1.049 474 K CA 1.262 57.570 56.287 0.036 0.000 0.931 474 K CB -0.530 31.992 32.500 0.037 0.000 0.714 474 K HN 0.101 nan 8.250 nan 0.000 0.440 475 I N 0.549 121.096 120.570 -0.038 0.000 2.493 475 I HA -0.233 3.940 4.170 0.006 0.000 0.254 475 I C 2.071 178.170 176.117 -0.031 0.000 1.160 475 I CA 0.672 61.888 61.300 -0.140 0.000 1.445 475 I CB -0.018 37.731 38.000 -0.419 0.000 1.086 475 I HN 0.209 nan 8.210 nan 0.000 0.433 476 M N -0.757 118.883 119.600 0.066 0.000 2.476 476 M HA 0.002 4.485 4.480 0.006 0.000 0.262 476 M C 1.797 178.190 176.300 0.155 0.000 1.111 476 M CA 1.268 56.651 55.300 0.138 0.000 1.127 476 M CB -0.461 32.260 32.600 0.202 0.000 1.376 476 M HN 0.216 nan 8.290 nan 0.000 0.465 477 E N -0.223 120.045 120.200 0.114 0.000 2.372 477 E HA -0.003 4.350 4.350 0.006 0.000 0.201 477 E C 0.798 177.456 176.600 0.097 0.000 0.938 477 E CA 0.237 56.706 56.400 0.116 0.000 0.944 477 E CB 0.775 30.531 29.700 0.093 0.000 0.937 477 E HN 0.308 nan 8.360 nan 0.000 0.495 478 E N 1.012 121.252 120.200 0.067 0.000 2.465 478 E HA 0.046 4.400 4.350 0.006 0.000 0.195 478 E C 0.241 176.874 176.600 0.054 0.000 1.028 478 E CA 0.156 56.590 56.400 0.057 0.000 0.899 478 E CB 0.930 30.652 29.700 0.037 0.000 1.032 478 E HN 0.166 nan 8.360 nan 0.000 0.468 479 T N -1.825 112.762 114.554 0.055 0.000 2.934 479 T HA 0.288 4.642 4.350 0.006 0.000 0.283 479 T C 0.181 174.948 174.700 0.111 0.000 1.005 479 T CA -0.761 61.369 62.100 0.050 0.000 1.041 479 T CB 1.657 70.517 68.868 -0.012 0.000 1.042 479 T HN 0.027 nan 8.240 nan 0.000 0.505 480 H N 1.179 120.251 119.070 0.003 0.000 2.871 480 H HA 0.081 4.640 4.556 0.006 0.000 0.355 480 H C 1.356 176.714 175.328 0.049 0.000 1.092 480 H CA 0.117 56.165 56.048 -0.000 0.000 1.420 480 H CB 0.399 30.084 29.762 -0.128 0.000 1.400 480 H HN 0.828 nan 8.280 nan 0.000 0.604 481 W N 3.220 124.292 121.300 -0.380 0.000 2.364 481 W HA -0.200 4.464 4.660 0.006 0.000 0.281 481 W C 1.148 177.730 176.519 0.105 0.000 1.219 481 W CA 1.297 58.609 57.345 -0.055 0.000 1.220 481 W CB -1.461 27.919 29.460 -0.133 0.000 1.127 481 W HN 0.649 nan 8.180 nan 0.000 0.556 482 T N 0.587 114.719 114.554 -0.703 0.000 2.946 482 T HA -0.210 4.144 4.350 0.006 0.000 0.271 482 T C 1.920 176.581 174.700 -0.065 0.000 1.104 482 T CA 1.941 63.718 62.100 -0.539 0.000 1.114 482 T CB -1.152 67.390 68.868 -0.545 0.000 0.867 482 T HN 0.231 nan 8.240 nan 0.000 0.513 483 V N -2.683 117.220 119.914 -0.020 0.000 2.594 483 V HA -0.038 4.085 4.120 0.006 0.000 0.253 483 V C 2.174 178.258 176.094 -0.016 0.000 1.069 483 V CA 0.770 63.047 62.300 -0.038 0.000 1.082 483 V CB -1.505 30.241 31.823 -0.129 0.000 0.680 483 V HN 0.625 nan 8.190 nan 0.000 0.469 484 W N 0.220 121.627 121.300 0.179 0.000 2.465 484 W HA 0.165 4.829 4.660 0.006 0.000 0.268 484 W C 2.286 178.950 176.519 0.242 0.000 1.242 484 W CA 0.860 58.329 57.345 0.206 0.000 1.248 484 W CB -0.287 29.295 29.460 0.203 0.000 1.118 484 W HN 0.215 nan 8.180 nan 0.000 0.587 485 I N -0.550 120.264 120.570 0.406 0.000 2.252 485 I HA -0.282 3.891 4.170 0.006 0.000 0.245 485 I C 2.244 178.595 176.117 0.389 0.000 1.102 485 I CA 1.418 62.937 61.300 0.365 0.000 1.385 485 I CB -0.913 37.228 38.000 0.236 0.000 1.064 485 I HN -0.150 nan 8.210 nan 0.000 0.414 486 T N 0.395 115.116 114.554 0.279 0.000 2.812 486 T HA -0.096 4.257 4.350 0.006 0.000 0.264 486 T C 2.025 176.914 174.700 0.314 0.000 1.042 486 T CA 1.080 63.348 62.100 0.280 0.000 1.140 486 T CB -0.177 68.809 68.868 0.196 0.000 0.870 486 T HN 0.270 nan 8.240 nan 0.000 0.445 487 R N 0.209 120.853 120.500 0.240 0.000 2.083 487 R HA -0.058 4.285 4.340 0.006 0.000 0.237 487 R C 2.213 178.682 176.300 0.281 0.000 1.137 487 R CA 1.544 57.733 56.100 0.147 0.000 0.951 487 R CB -0.606 29.659 30.300 -0.059 0.000 0.851 487 R HN 0.370 nan 8.270 nan 0.000 0.434 488 F N 0.588 120.699 119.950 0.270 0.000 2.095 488 F HA -0.290 4.240 4.527 0.005 0.000 0.298 488 F C 2.212 178.152 175.800 0.233 0.000 1.104 488 F CA 1.437 59.586 58.000 0.248 0.000 1.232 488 F CB -0.610 38.551 39.000 0.267 0.000 0.987 488 F HN -0.027 nan 8.300 nan 0.000 0.475 489 Y N 1.620 122.019 120.300 0.165 0.000 2.145 489 Y HA -0.222 4.331 4.550 0.006 0.000 0.286 489 Y C 2.315 178.255 175.900 0.066 0.000 1.145 489 Y CA 2.380 60.498 58.100 0.031 0.000 1.148 489 Y CB -0.724 37.836 38.460 0.166 0.000 0.981 489 Y HN 0.298 nan 8.280 nan 0.000 0.507 490 I N -2.373 118.295 120.570 0.164 0.000 2.546 490 I HA -0.140 4.033 4.170 0.006 0.000 0.255 490 I C 1.993 178.312 176.117 0.337 0.000 1.163 490 I CA 1.306 62.764 61.300 0.263 0.000 1.457 490 I CB -0.621 37.635 38.000 0.426 0.000 1.092 490 I HN 0.162 nan 8.210 nan 0.000 0.434 491 I N 2.300 122.926 120.570 0.094 0.000 2.315 491 I HA -0.114 4.059 4.170 0.006 0.000 0.248 491 I C 2.780 178.854 176.117 -0.072 0.000 1.117 491 I CA 1.463 62.742 61.300 -0.034 0.000 1.404 491 I CB -0.715 37.236 38.000 -0.082 0.000 1.071 491 I HN 0.356 nan 8.210 nan 0.000 0.419 492 G N 1.055 109.711 108.800 -0.239 0.000 2.418 492 G HA2 -0.194 3.769 3.960 0.006 0.000 0.217 492 G HA3 -0.194 3.769 3.960 0.006 0.000 0.217 492 G C 1.712 176.539 174.900 -0.122 0.000 1.158 492 G CA 0.442 45.370 45.100 -0.286 0.000 0.771 492 G HN 0.256 nan 8.290 nan 0.000 0.545 493 L N -0.907 120.251 121.223 -0.108 0.000 2.083 493 L HA -0.008 4.335 4.340 0.006 0.000 0.209 493 L C 2.547 179.573 176.870 0.260 0.000 1.083 493 L CA 0.951 55.852 54.840 0.102 0.000 0.752 493 L CB -0.379 41.752 42.059 0.119 0.000 0.899 493 L HN 0.255 nan 8.230 nan 0.000 0.433 494 F N -0.211 119.778 119.950 0.065 0.000 2.134 494 F HA -0.255 4.276 4.527 0.006 0.000 0.299 494 F C 2.302 177.983 175.800 -0.198 0.000 1.097 494 F CA 1.249 59.101 58.000 -0.248 0.000 1.264 494 F CB 0.006 38.561 39.000 -0.741 0.000 1.001 494 F HN -0.111 nan 8.300 nan 0.000 0.479 495 L N -0.271 120.996 121.223 0.073 0.000 2.012 495 L HA -0.252 4.092 4.340 0.006 0.000 0.210 495 L C 2.441 179.317 176.870 0.009 0.000 1.073 495 L CA 1.983 56.838 54.840 0.025 0.000 0.748 495 L CB -1.578 40.486 42.059 0.007 0.000 0.891 495 L HN 0.329 nan 8.230 nan 0.000 0.431 496 F N 0.388 120.286 119.950 -0.087 0.000 2.134 496 F HA -0.220 4.311 4.527 0.005 0.000 0.299 496 F C 2.289 178.064 175.800 -0.041 0.000 1.097 496 F CA 1.485 59.466 58.000 -0.032 0.000 1.264 496 F CB -0.441 38.532 39.000 -0.046 0.000 1.001 496 F HN -0.011 nan 8.300 nan 0.000 0.479 497 L N -0.330 120.614 121.223 -0.464 0.000 2.141 497 L HA -0.188 4.156 4.340 0.006 0.000 0.209 497 L C 2.322 178.826 176.870 -0.610 0.000 1.094 497 L CA 1.643 56.066 54.840 -0.695 0.000 0.763 497 L CB -1.070 40.661 42.059 -0.548 0.000 0.908 497 L HN 0.161 nan 8.230 nan 0.000 0.437 498 T N -0.450 113.801 114.554 -0.504 0.000 2.821 498 T HA -0.183 4.170 4.350 0.006 0.000 0.267 498 T C 1.591 176.201 174.700 -0.149 0.000 1.046 498 T CA 1.094 62.977 62.100 -0.362 0.000 1.139 498 T CB -0.285 68.417 68.868 -0.276 0.000 0.871 498 T HN 0.199 nan 8.240 nan 0.000 0.454 499 F N 1.867 121.667 119.950 -0.251 0.000 2.171 499 F HA 0.041 4.572 4.527 0.006 0.000 0.300 499 F C 1.838 177.581 175.800 -0.095 0.000 1.090 499 F CA 0.839 58.757 58.000 -0.137 0.000 1.293 499 F CB -0.530 38.401 39.000 -0.115 0.000 1.013 499 F HN 0.062 nan 8.300 nan 0.000 0.486 500 L N -0.912 120.091 121.223 -0.368 0.000 2.093 500 L HA -0.190 4.153 4.340 0.006 0.000 0.208 500 L C 2.347 179.150 176.870 -0.112 0.000 1.085 500 L CA 0.881 55.519 54.840 -0.338 0.000 0.755 500 L CB -0.859 40.979 42.059 -0.369 0.000 0.904 500 L HN 0.001 nan 8.230 nan 0.000 0.435 501 V N -0.409 119.418 119.914 -0.145 0.000 2.427 501 V HA -0.294 3.830 4.120 0.006 0.000 0.248 501 V C 2.216 178.255 176.094 -0.092 0.000 1.051 501 V CA 1.683 63.958 62.300 -0.041 0.000 1.048 501 V CB -0.553 31.166 31.823 -0.173 0.000 0.666 501 V HN 0.353 nan 8.190 nan 0.000 0.456 502 F N 0.496 120.294 119.950 -0.253 0.000 2.134 502 F HA -0.153 4.377 4.527 0.006 0.000 0.299 502 F C 2.003 177.613 175.800 -0.316 0.000 1.097 502 F CA 1.670 59.520 58.000 -0.250 0.000 1.264 502 F CB -0.188 38.683 39.000 -0.214 0.000 1.001 502 F HN 0.033 nan 8.300 nan 0.000 0.479 503 L N -0.056 120.925 121.223 -0.403 0.000 2.141 503 L HA -0.159 4.184 4.340 0.006 0.000 0.209 503 L C 2.794 179.415 176.870 -0.415 0.000 1.094 503 L CA 1.008 55.562 54.840 -0.477 0.000 0.763 503 L CB -1.238 40.545 42.059 -0.461 0.000 0.908 503 L HN 0.274 nan 8.230 nan 0.000 0.437 504 A N 0.039 122.672 122.820 -0.311 0.000 1.898 504 A HA -0.205 4.118 4.320 0.006 0.000 0.216 504 A C 2.164 179.559 177.584 -0.316 0.000 1.181 504 A CA 1.490 53.357 52.037 -0.283 0.000 0.620 504 A CB -0.366 18.513 19.000 -0.202 0.000 0.819 504 A HN 0.424 nan 8.150 nan 0.000 0.442 505 E N -0.602 119.382 120.200 -0.360 0.000 2.058 505 E HA -0.197 4.157 4.350 0.006 0.000 0.194 505 E C 2.285 178.620 176.600 -0.441 0.000 0.997 505 E CA 1.065 57.235 56.400 -0.383 0.000 0.801 505 E CB -0.158 29.288 29.700 -0.422 0.000 0.746 505 E HN 0.311 nan 8.360 nan 0.000 0.450 506 R N 0.588 120.718 120.500 -0.616 0.000 2.115 506 R HA -0.067 4.277 4.340 0.006 0.000 0.230 506 R C 2.200 178.015 176.300 -0.808 0.000 1.111 506 R CA 0.799 56.468 56.100 -0.719 0.000 0.976 506 R CB -0.576 29.252 30.300 -0.787 0.000 0.870 506 R HN 0.177 nan 8.270 nan 0.000 0.445 507 R N 0.902 121.076 120.500 -0.543 0.000 2.092 507 R HA -0.062 4.282 4.340 0.006 0.000 0.231 507 R C 2.267 178.411 176.300 -0.260 0.000 1.119 507 R CA 1.289 57.159 56.100 -0.383 0.000 0.970 507 R CB -0.085 30.051 30.300 -0.273 0.000 0.864 507 R HN 0.086 nan 8.270 nan 0.000 0.440 508 R N 0.445 120.799 120.500 -0.243 0.000 2.073 508 R HA -0.097 4.246 4.340 0.006 0.000 0.234 508 R C 1.779 178.016 176.300 -0.105 0.000 1.134 508 R CA 2.143 58.154 56.100 -0.148 0.000 0.952 508 R CB -0.258 29.955 30.300 -0.146 0.000 0.850 508 R HN 0.401 nan 8.270 nan 0.000 0.433 509 N N -0.914 117.702 118.700 -0.139 0.000 2.084 509 N HA -0.180 4.563 4.740 0.006 0.000 0.190 509 N C 1.597 177.166 175.510 0.098 0.000 1.030 509 N CA 1.495 54.529 53.050 -0.027 0.000 0.849 509 N CB -0.202 38.272 38.487 -0.021 0.000 1.012 509 N HN 0.488 nan 8.380 nan 0.000 0.423 510 H N 0.287 119.306 119.070 -0.085 0.000 2.457 510 H HA -0.067 4.493 4.556 0.006 0.000 0.294 510 H C 1.587 176.883 175.328 -0.054 0.000 1.064 510 H CA 1.044 57.053 56.048 -0.066 0.000 1.330 510 H CB 0.168 29.888 29.762 -0.071 0.000 1.395 510 H HN 0.537 nan 8.280 nan 0.000 0.541 511 E N 0.437 120.668 120.200 0.052 0.000 2.299 511 E HA -0.008 4.346 4.350 0.006 0.000 0.193 511 E C 1.958 178.563 176.600 0.008 0.000 0.998 511 E CA 0.684 57.093 56.400 0.014 0.000 0.851 511 E CB 0.130 29.820 29.700 -0.017 0.000 0.795 511 E HN 0.054 nan 8.360 nan 0.000 0.492 512 S N 0.703 116.409 115.700 0.010 0.000 2.406 512 S HA 0.049 4.523 4.470 0.006 0.000 0.228 512 S C 1.882 176.488 174.600 0.011 0.000 1.020 512 S CA 0.772 58.977 58.200 0.009 0.000 0.965 512 S CB -0.042 63.164 63.200 0.009 0.000 0.798 512 S HN 0.481 nan 8.310 nan 0.000 0.488 513 A N 0.492 123.322 122.820 0.017 0.000 2.327 513 A HA 0.491 4.814 4.320 0.006 0.000 0.228 513 A C 1.449 179.032 177.584 -0.002 0.000 1.275 513 A CA 0.584 52.624 52.037 0.005 0.000 0.875 513 A CB -0.360 18.639 19.000 -0.001 0.000 0.925 513 A HN 0.473 nan 8.150 nan 0.000 0.493 514 G N -2.526 106.275 108.800 0.002 0.000 3.443 514 G HA2 0.203 4.166 3.960 0.006 0.000 0.252 514 G HA3 0.203 4.166 3.960 0.006 0.000 0.252 514 G C 0.755 175.653 174.900 -0.003 0.000 1.015 514 G CA 0.743 45.841 45.100 -0.002 0.000 0.891 514 G HN 0.284 nan 8.290 nan 0.000 0.510 515 T N 1.399 115.953 114.554 -0.001 0.000 3.105 515 T HA 0.468 4.821 4.350 0.006 0.000 0.253 515 T C 0.509 175.209 174.700 -0.000 0.000 1.047 515 T CA 0.169 62.268 62.100 -0.002 0.000 0.944 515 T CB 0.219 69.087 68.868 -0.000 0.000 1.016 515 T HN 0.030 nan 8.240 nan 0.000 0.544 516 L N 0.000 121.223 121.223 -0.001 0.000 2.949 516 L HA 0.000 4.343 4.340 0.006 0.000 0.249 516 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 516 L CB 0.000 42.060 42.059 0.001 0.000 0.961 516 L HN 0.000 nan 8.230 nan 0.000 0.502