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 1ht2_1_E DATA FIRST_RESID 1 DATA SEQUENCE HSEMTPREIV SELDKHIIGQ DNAKRSVAIA LRNRWRRMQL NEELRHEVTP DATA SEQUENCE KNILMIGPTG VGKTEIARRL AKLANAPFIK VEATKFTEVG YVGKEVDSII DATA SEQUENCE RDLTDAAVKM VRVQAIEKNR YRAEELAEER ILDVLIPPAK NNWGQTEQQQ DATA SEQUENCE EPSAARQAFR KKLREGQLDD KEIEXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXK QKARKLKIKD AMKLLIEEEA AKLVNPEELK QDAIDAVEQH DATA SEQUENCE GIVFIDEIDK ICKRGESSGP DVSREGVQRD LLPLVEGCTV STKHGMVKTD DATA SEQUENCE HILFIASGAF QIAKPSDLIP ELQGRLPIRV ELQALTTSDF ERILTEPNAS DATA SEQUENCE ITVQYKALMA TEGVNIEFTD SGIKRIAEAA WQVNESTENI GARRLHTVLE DATA SEQUENCE RLMEEISYDA SDLSGQNITI DADYVSKHLD ALVADEDLSR FIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.374 175.328 0.076 0.000 0.993 1 H CA 0.000 56.103 56.048 0.091 0.000 1.023 1 H CB 0.000 29.714 29.762 -0.080 0.000 1.292 2 S N 1.172 116.963 115.700 0.151 0.000 2.550 2 S HA -0.078 4.392 4.470 -0.000 0.000 0.285 2 S C 0.721 175.287 174.600 -0.056 0.000 1.326 2 S CA 0.525 58.742 58.200 0.028 0.000 1.037 2 S CB 0.401 63.596 63.200 -0.007 0.000 0.838 2 S HN 0.450 nan 8.310 nan 0.000 0.519 3 E N 2.329 122.435 120.200 -0.156 0.000 2.624 3 E HA 0.182 4.532 4.350 -0.000 0.000 0.210 3 E C -0.416 175.948 176.600 -0.392 0.000 0.997 3 E CA -0.161 56.013 56.400 -0.377 0.000 0.999 3 E CB 0.338 29.911 29.700 -0.212 0.000 1.040 3 E HN 0.606 nan 8.360 nan 0.000 0.469 4 M N 2.340 121.787 119.600 -0.255 0.000 2.219 4 M HA 0.058 4.538 4.480 -0.000 0.000 0.353 4 M C 0.583 176.749 176.300 -0.223 0.000 1.304 4 M CA 0.102 55.285 55.300 -0.194 0.000 1.115 4 M CB 0.625 33.159 32.600 -0.110 0.000 1.664 4 M HN 0.023 nan 8.290 nan 0.000 0.459 5 T N 1.175 115.616 114.554 -0.189 0.000 2.900 5 T HA 0.136 4.486 4.350 -0.000 0.000 0.307 5 T C -2.073 172.573 174.700 -0.091 0.000 1.065 5 T CA -1.441 60.565 62.100 -0.156 0.000 1.105 5 T CB 0.296 69.098 68.868 -0.111 0.000 0.979 5 T HN 0.424 nan 8.240 nan 0.000 0.544 6 P HA -0.142 nan 4.420 nan 0.000 0.216 6 P C 1.731 179.019 177.300 -0.019 0.000 1.154 6 P CA 1.071 64.158 63.100 -0.022 0.000 0.865 6 P CB 0.043 31.743 31.700 0.001 0.000 0.789 7 R N 0.025 120.512 120.500 -0.023 0.000 2.091 7 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 7 R C 2.117 178.403 176.300 -0.023 0.000 1.136 7 R CA 1.662 57.751 56.100 -0.018 0.000 0.959 7 R CB -0.401 29.888 30.300 -0.018 0.000 0.856 7 R HN 0.196 nan 8.270 nan 0.000 0.437 8 E N -0.128 120.050 120.200 -0.037 0.000 2.150 8 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 8 E C 1.828 178.411 176.600 -0.029 0.000 0.985 8 E CA 0.885 57.262 56.400 -0.039 0.000 0.814 8 E CB 0.107 29.771 29.700 -0.059 0.000 0.752 8 E HN 0.291 nan 8.360 nan 0.000 0.466 9 I N 0.288 120.842 120.570 -0.027 0.000 2.163 9 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 9 I C 2.308 178.425 176.117 0.000 0.000 1.081 9 I CA 0.958 62.250 61.300 -0.014 0.000 1.353 9 I CB -1.092 36.902 38.000 -0.010 0.000 1.054 9 I HN 0.032 nan 8.210 nan 0.000 0.407 10 V N 0.359 120.274 119.914 0.002 0.000 2.392 10 V HA -0.281 3.838 4.120 -0.000 0.000 0.249 10 V C 2.763 178.861 176.094 0.007 0.000 1.059 10 V CA 1.997 64.303 62.300 0.010 0.000 1.051 10 V CB -0.718 31.110 31.823 0.009 0.000 0.658 10 V HN 0.382 nan 8.190 nan 0.000 0.455 11 S N -0.685 115.014 115.700 -0.001 0.000 2.356 11 S HA -0.242 4.228 4.470 -0.000 0.000 0.223 11 S C 2.062 176.661 174.600 -0.003 0.000 1.032 11 S CA 1.853 60.049 58.200 -0.006 0.000 1.005 11 S CB -0.244 62.948 63.200 -0.013 0.000 0.867 11 S HN 0.663 nan 8.310 nan 0.000 0.449 12 E N 0.510 120.714 120.200 0.006 0.000 2.204 12 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 12 E C 1.701 178.345 176.600 0.073 0.000 0.990 12 E CA 0.602 57.019 56.400 0.028 0.000 0.821 12 E CB -0.257 29.458 29.700 0.025 0.000 0.750 12 E HN 0.287 nan 8.360 nan 0.000 0.477 13 L N 0.747 122.004 121.223 0.057 0.000 2.131 13 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 13 L C 1.345 178.250 176.870 0.058 0.000 1.087 13 L CA 1.500 56.388 54.840 0.080 0.000 0.767 13 L CB -0.625 41.460 42.059 0.044 0.000 0.917 13 L HN 0.073 nan 8.230 nan 0.000 0.441 14 D N -0.243 120.167 120.400 0.016 0.000 2.311 14 D HA -0.175 4.465 4.640 -0.000 0.000 0.212 14 D C 1.882 178.145 176.300 -0.062 0.000 0.972 14 D CA 0.797 54.791 54.000 -0.010 0.000 0.887 14 D CB 0.040 40.832 40.800 -0.014 0.000 0.915 14 D HN 0.343 nan 8.370 nan 0.000 0.497 15 K N -0.596 119.732 120.400 -0.119 0.000 2.432 15 K HA -0.004 4.316 4.320 -0.000 0.000 0.196 15 K C 1.092 177.322 176.600 -0.616 0.000 1.038 15 K CA 0.648 56.733 56.287 -0.336 0.000 0.986 15 K CB 0.317 32.575 32.500 -0.404 0.000 0.782 15 K HN 0.364 nan 8.250 nan 0.000 0.485 16 H N -1.236 117.824 119.070 -0.017 0.000 3.400 16 H HA 0.229 4.785 4.556 -0.000 0.000 0.251 16 H C -0.197 175.124 175.328 -0.012 0.000 1.040 16 H CA -0.030 56.006 56.048 -0.020 0.000 1.175 16 H CB 1.030 30.770 29.762 -0.036 0.000 1.487 16 H HN -0.052 nan 8.280 nan 0.000 0.505 17 I N 2.476 123.092 120.570 0.077 0.000 2.466 17 I HA 0.179 4.349 4.170 -0.000 0.000 0.289 17 I C -0.265 175.875 176.117 0.038 0.000 1.026 17 I CA -0.515 60.819 61.300 0.057 0.000 1.078 17 I CB 2.380 40.414 38.000 0.057 0.000 1.249 17 I HN -0.090 nan 8.210 nan 0.000 0.429 18 I N 5.175 125.770 120.570 0.043 0.000 2.428 18 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 18 I C 1.209 177.357 176.117 0.052 0.000 1.019 18 I CA 0.269 61.594 61.300 0.043 0.000 1.351 18 I CB 0.146 38.179 38.000 0.054 0.000 1.412 18 I HN 0.841 nan 8.210 nan 0.000 0.513 19 G N 6.294 115.119 108.800 0.042 0.000 2.598 19 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.269 19 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.269 19 G C -0.056 174.872 174.900 0.048 0.000 1.289 19 G CA 0.029 45.155 45.100 0.044 0.000 0.926 19 G HN 0.750 nan 8.290 nan 0.000 0.567 20 Q N -1.684 118.147 119.800 0.051 0.000 2.463 20 Q HA -0.217 4.123 4.340 -0.000 0.000 0.299 20 Q C 0.717 176.744 176.000 0.046 0.000 1.353 20 Q CA 1.728 57.564 55.803 0.054 0.000 0.828 20 Q CB -1.871 26.905 28.738 0.064 0.000 1.157 20 Q HN 0.991 nan 8.270 nan 0.000 0.436 21 D N 0.492 120.915 120.400 0.038 0.000 2.117 21 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 21 D C 1.442 177.762 176.300 0.034 0.000 0.982 21 D CA 1.836 55.856 54.000 0.032 0.000 0.828 21 D CB 0.081 40.896 40.800 0.025 0.000 0.967 21 D HN 0.546 nan 8.370 nan 0.000 0.464 22 N N -0.488 118.233 118.700 0.035 0.000 2.104 22 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 22 N C 1.747 177.282 175.510 0.042 0.000 1.024 22 N CA 1.055 54.126 53.050 0.035 0.000 0.853 22 N CB -0.136 38.371 38.487 0.033 0.000 1.008 22 N HN 0.211 nan 8.380 nan 0.000 0.424 23 A N 1.128 123.978 122.820 0.051 0.000 2.015 23 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 23 A C 1.977 179.598 177.584 0.061 0.000 1.163 23 A CA 1.136 53.211 52.037 0.063 0.000 0.646 23 A CB -0.142 18.904 19.000 0.077 0.000 0.806 23 A HN 0.193 nan 8.150 nan 0.000 0.448 24 K N -0.468 119.963 120.400 0.051 0.000 1.973 24 K HA -0.083 4.237 4.320 -0.000 0.000 0.210 24 K C 2.272 178.897 176.600 0.041 0.000 1.045 24 K CA 1.365 57.678 56.287 0.044 0.000 0.937 24 K CB -0.249 32.272 32.500 0.036 0.000 0.721 24 K HN 0.328 nan 8.250 nan 0.000 0.438 25 R N 0.635 121.157 120.500 0.035 0.000 2.140 25 R HA -0.169 4.171 4.340 -0.000 0.000 0.250 25 R C 2.512 178.836 176.300 0.040 0.000 1.150 25 R CA 1.844 57.964 56.100 0.032 0.000 0.966 25 R CB -0.396 29.921 30.300 0.029 0.000 0.869 25 R HN 0.127 nan 8.270 nan 0.000 0.445 26 S N 0.014 115.742 115.700 0.046 0.000 2.368 26 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 26 S C 1.936 176.573 174.600 0.062 0.000 1.030 26 S CA 1.108 59.339 58.200 0.052 0.000 0.999 26 S CB -0.107 63.126 63.200 0.055 0.000 0.844 26 S HN 0.138 nan 8.310 nan 0.000 0.459 27 V N 1.285 121.239 119.914 0.066 0.000 2.667 27 V HA -0.032 4.088 4.120 -0.000 0.000 0.252 27 V C 2.292 178.423 176.094 0.061 0.000 1.065 27 V CA 1.379 63.724 62.300 0.074 0.000 1.083 27 V CB -0.575 31.295 31.823 0.079 0.000 0.692 27 V HN 0.496 nan 8.190 nan 0.000 0.468 28 A N -0.257 122.592 122.820 0.048 0.000 1.897 28 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 28 A C 2.067 179.677 177.584 0.044 0.000 1.181 28 A CA 1.548 53.606 52.037 0.036 0.000 0.620 28 A CB -0.439 18.575 19.000 0.023 0.000 0.821 28 A HN 0.500 nan 8.150 nan 0.000 0.443 29 I N -0.070 120.529 120.570 0.049 0.000 2.286 29 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 29 I C 2.932 179.093 176.117 0.074 0.000 1.115 29 I CA 0.962 62.297 61.300 0.058 0.000 1.392 29 I CB -0.248 37.784 38.000 0.054 0.000 1.065 29 I HN 0.365 nan 8.210 nan 0.000 0.418 30 A N 0.711 123.576 122.820 0.075 0.000 1.877 30 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 30 A C 2.367 180.008 177.584 0.095 0.000 1.186 30 A CA 1.407 53.496 52.037 0.086 0.000 0.620 30 A CB -0.831 18.222 19.000 0.088 0.000 0.822 30 A HN 0.402 nan 8.150 nan 0.000 0.443 31 L N -1.101 120.173 121.223 0.086 0.000 1.976 31 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 31 L C 2.756 179.696 176.870 0.116 0.000 1.071 31 L CA 2.059 56.953 54.840 0.091 0.000 0.746 31 L CB -0.320 41.776 42.059 0.062 0.000 0.890 31 L HN 0.418 nan 8.230 nan 0.000 0.432 32 R N 0.686 121.244 120.500 0.096 0.000 2.154 32 R HA -0.234 4.106 4.340 -0.000 0.000 0.248 32 R C 1.706 178.148 176.300 0.236 0.000 1.155 32 R CA 2.214 58.390 56.100 0.127 0.000 0.979 32 R CB -0.841 29.502 30.300 0.072 0.000 0.869 32 R HN 0.515 nan 8.270 nan 0.000 0.452 33 N N -0.585 118.220 118.700 0.175 0.000 2.244 33 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 33 N C 1.449 177.055 175.510 0.161 0.000 1.016 33 N CA 0.893 54.042 53.050 0.165 0.000 0.866 33 N CB -0.005 38.553 38.487 0.117 0.000 0.980 33 N HN 0.194 nan 8.380 nan 0.000 0.430 34 R N -0.444 120.156 120.500 0.166 0.000 2.120 34 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 34 R C 1.718 178.120 176.300 0.171 0.000 1.123 34 R CA 1.055 57.237 56.100 0.137 0.000 0.975 34 R CB -0.326 30.059 30.300 0.141 0.000 0.866 34 R HN 0.472 nan 8.270 nan 0.000 0.446 35 W N 2.003 123.329 121.300 0.042 0.000 2.444 35 W HA -0.062 4.598 4.660 -0.000 0.000 0.308 35 W C 2.026 178.562 176.519 0.029 0.000 1.183 35 W CA 0.949 58.320 57.345 0.044 0.000 1.340 35 W CB -0.116 29.372 29.460 0.046 0.000 1.138 35 W HN -0.183 nan 8.180 nan 0.000 0.510 36 R N 0.130 120.740 120.500 0.183 0.000 2.139 36 R HA -0.226 4.114 4.340 -0.000 0.000 0.243 36 R C 2.330 178.534 176.300 -0.161 0.000 1.145 36 R CA 1.940 58.001 56.100 -0.064 0.000 0.976 36 R CB -0.575 29.815 30.300 0.150 0.000 0.866 36 R HN 0.277 nan 8.270 nan 0.000 0.449 37 R N 0.527 120.979 120.500 -0.081 0.000 2.062 37 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 37 R C 2.025 178.232 176.300 -0.155 0.000 1.136 37 R CA 1.338 57.385 56.100 -0.089 0.000 0.948 37 R CB -0.039 30.230 30.300 -0.052 0.000 0.845 37 R HN 0.030 nan 8.270 nan 0.000 0.430 38 M N 1.167 120.656 119.600 -0.184 0.000 2.426 38 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 38 M C 1.497 177.652 176.300 -0.242 0.000 1.068 38 M CA 1.379 56.564 55.300 -0.192 0.000 1.066 38 M CB -0.621 31.887 32.600 -0.154 0.000 1.399 38 M HN 0.240 nan 8.290 nan 0.000 0.449 39 Q N 0.022 119.611 119.800 -0.352 0.000 2.451 39 Q HA 0.254 4.594 4.340 -0.000 0.000 0.206 39 Q C 1.145 177.023 176.000 -0.204 0.000 0.947 39 Q CA 0.262 55.854 55.803 -0.353 0.000 0.937 39 Q CB -0.048 28.352 28.738 -0.562 0.000 1.025 39 Q HN 0.481 nan 8.270 nan 0.000 0.511 40 L N 1.712 122.842 121.223 -0.155 0.000 2.543 40 L HA 0.152 4.492 4.340 -0.000 0.000 0.231 40 L C 0.955 177.787 176.870 -0.064 0.000 1.194 40 L CA -0.765 54.021 54.840 -0.090 0.000 0.823 40 L CB 0.109 42.131 42.059 -0.061 0.000 1.374 40 L HN 0.126 nan 8.230 nan 0.000 0.507 41 N N -0.411 118.270 118.700 -0.031 0.000 2.447 41 N HA 0.039 4.779 4.740 -0.000 0.000 0.271 41 N C 0.418 175.938 175.510 0.017 0.000 1.226 41 N CA -0.526 52.517 53.050 -0.012 0.000 0.980 41 N CB 1.193 39.677 38.487 -0.005 0.000 1.206 41 N HN 0.563 nan 8.380 nan 0.000 0.558 42 E N 0.501 120.721 120.200 0.034 0.000 2.082 42 E HA -0.341 4.009 4.350 -0.000 0.000 0.215 42 E C 1.531 178.237 176.600 0.177 0.000 1.048 42 E CA 2.263 58.718 56.400 0.091 0.000 0.869 42 E CB -0.302 29.438 29.700 0.066 0.000 0.773 42 E HN 0.763 nan 8.360 nan 0.000 0.466 43 E N -0.145 120.111 120.200 0.093 0.000 2.005 43 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 43 E C 2.290 178.977 176.600 0.145 0.000 1.010 43 E CA 1.601 58.047 56.400 0.077 0.000 0.825 43 E CB -0.458 29.248 29.700 0.011 0.000 0.769 43 E HN 0.400 nan 8.360 nan 0.000 0.456 44 L N 0.504 121.774 121.223 0.080 0.000 2.456 44 L HA -0.190 4.150 4.340 -0.000 0.000 0.225 44 L C 2.686 179.602 176.870 0.076 0.000 1.142 44 L CA 0.856 55.736 54.840 0.065 0.000 0.796 44 L CB -0.310 41.765 42.059 0.027 0.000 0.920 44 L HN 0.171 nan 8.230 nan 0.000 0.446 45 R N -1.435 119.120 120.500 0.092 0.000 2.200 45 R HA -0.063 4.277 4.340 -0.000 0.000 0.208 45 R C 1.951 178.254 176.300 0.004 0.000 1.033 45 R CA 0.640 56.740 56.100 -0.001 0.000 1.000 45 R CB -0.029 30.214 30.300 -0.095 0.000 0.906 45 R HN 0.458 nan 8.270 nan 0.000 0.462 46 H N 0.147 119.249 119.070 0.053 0.000 2.370 46 H HA 0.031 4.587 4.556 -0.000 0.000 0.304 46 H C 1.907 177.289 175.328 0.089 0.000 1.055 46 H CA 0.773 56.877 56.048 0.094 0.000 1.373 46 H CB 0.156 29.949 29.762 0.053 0.000 1.423 46 H HN 0.023 nan 8.280 nan 0.000 0.533 47 E N 0.923 121.239 120.200 0.194 0.000 2.023 47 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 47 E C 0.616 177.272 176.600 0.092 0.000 1.003 47 E CA 0.569 57.034 56.400 0.109 0.000 0.809 47 E CB -0.767 28.977 29.700 0.073 0.000 0.755 47 E HN 0.123 nan 8.360 nan 0.000 0.449 48 V N 3.866 123.837 119.914 0.096 0.000 2.434 48 V HA -0.010 4.110 4.120 -0.000 0.000 0.281 48 V C 0.627 176.802 176.094 0.135 0.000 1.005 48 V CA 0.455 62.809 62.300 0.089 0.000 1.089 48 V CB -0.085 31.780 31.823 0.069 0.000 0.978 48 V HN 0.300 nan 8.190 nan 0.000 0.474 49 T N 4.677 119.282 114.554 0.084 0.000 2.948 49 T HA 0.633 4.983 4.350 -0.000 0.000 0.285 49 T C -2.663 172.086 174.700 0.081 0.000 1.019 49 T CA -2.258 59.873 62.100 0.051 0.000 1.013 49 T CB 1.579 70.426 68.868 -0.036 0.000 1.117 49 T HN 0.377 nan 8.240 nan 0.000 0.533 50 P HA 0.202 nan 4.420 nan 0.000 0.269 50 P C -0.506 176.844 177.300 0.083 0.000 1.209 50 P CA -0.448 62.713 63.100 0.102 0.000 0.776 50 P CB 0.303 32.072 31.700 0.116 0.000 0.876 51 K N 2.887 123.337 120.400 0.084 0.000 2.229 51 K HA 0.229 4.549 4.320 -0.000 0.000 0.247 51 K C -0.169 176.480 176.600 0.081 0.000 1.117 51 K CA -0.320 56.008 56.287 0.069 0.000 1.036 51 K CB -0.485 32.053 32.500 0.064 0.000 1.654 51 K HN 0.373 nan 8.250 nan 0.000 0.405 52 N N 2.157 120.912 118.700 0.091 0.000 2.407 52 N HA 0.079 4.819 4.740 -0.000 0.000 0.250 52 N C 0.325 175.883 175.510 0.080 0.000 1.236 52 N CA 0.327 53.446 53.050 0.115 0.000 0.879 52 N CB 0.832 39.398 38.487 0.132 0.000 1.088 52 N HN 0.319 nan 8.380 nan 0.000 0.450 53 I N 0.977 121.602 120.570 0.092 0.000 2.562 53 I HA 0.309 4.479 4.170 -0.000 0.000 0.301 53 I C -0.385 175.764 176.117 0.053 0.000 1.003 53 I CA -1.004 60.337 61.300 0.069 0.000 1.127 53 I CB 1.772 39.825 38.000 0.088 0.000 1.304 53 I HN 0.184 nan 8.210 nan 0.000 0.446 54 L N 6.347 127.586 121.223 0.027 0.000 2.345 54 L HA 0.532 4.872 4.340 -0.000 0.000 0.274 54 L C -0.793 176.095 176.870 0.031 0.000 0.999 54 L CA -0.240 54.609 54.840 0.015 0.000 0.849 54 L CB 1.039 43.077 42.059 -0.035 0.000 1.220 54 L HN 0.532 nan 8.230 nan 0.000 0.422 55 M N 6.074 125.716 119.600 0.072 0.000 2.146 55 M HA 0.420 4.900 4.480 -0.000 0.000 0.357 55 M C -0.778 175.605 176.300 0.139 0.000 1.261 55 M CA 0.150 55.514 55.300 0.106 0.000 1.106 55 M CB 0.980 33.677 32.600 0.161 0.000 1.612 55 M HN 0.460 nan 8.290 nan 0.000 0.470 56 I N 2.632 123.271 120.570 0.116 0.000 2.382 56 I HA 0.795 4.965 4.170 -0.000 0.000 0.286 56 I C 0.240 176.441 176.117 0.141 0.000 1.002 56 I CA -0.402 60.995 61.300 0.162 0.000 1.135 56 I CB 1.797 39.827 38.000 0.049 0.000 1.288 56 I HN 0.833 nan 8.210 nan 0.000 0.448 57 G N 6.481 115.378 108.800 0.161 0.000 2.387 57 G HA2 0.406 4.366 3.960 -0.000 0.000 0.294 57 G HA3 0.406 4.366 3.960 -0.000 0.000 0.294 57 G C -3.310 171.654 174.900 0.107 0.000 1.509 57 G CA -0.746 44.425 45.100 0.120 0.000 0.806 57 G HN 0.281 nan 8.290 nan 0.000 0.546 58 P HA 0.240 nan 4.420 nan 0.000 0.271 58 P C 0.834 178.172 177.300 0.063 0.000 1.244 58 P CA 0.173 63.309 63.100 0.059 0.000 0.793 58 P CB 0.389 32.115 31.700 0.044 0.000 0.984 59 T N -3.336 111.244 114.554 0.044 0.000 2.855 59 T HA 0.259 4.609 4.350 -0.000 0.000 0.314 59 T C 1.175 175.907 174.700 0.053 0.000 1.077 59 T CA 0.462 62.590 62.100 0.047 0.000 1.095 59 T CB -1.011 67.872 68.868 0.025 0.000 0.987 59 T HN 0.833 nan 8.240 nan 0.000 0.546 60 G N 1.161 109.994 108.800 0.055 0.000 2.422 60 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.301 60 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.301 60 G C 0.473 175.412 174.900 0.065 0.000 0.981 60 G CA 0.598 45.727 45.100 0.048 0.000 0.994 60 G HN 2.046 nan 8.290 nan 0.000 0.514 61 V N -3.560 116.404 119.914 0.083 0.000 3.276 61 V HA 0.713 4.833 4.120 -0.000 0.000 0.319 61 V C 1.489 177.637 176.094 0.090 0.000 1.427 61 V CA 0.720 63.079 62.300 0.099 0.000 1.102 61 V CB 0.110 31.995 31.823 0.105 0.000 1.020 61 V HN 2.066 nan 8.190 nan 0.000 0.456 62 G N 0.840 109.686 108.800 0.076 0.000 2.175 62 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.182 62 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.182 62 G C 0.661 175.603 174.900 0.070 0.000 1.003 62 G CA 0.275 45.413 45.100 0.063 0.000 0.666 62 G HN 0.475 nan 8.290 nan 0.000 0.506 63 K N -0.057 120.410 120.400 0.111 0.000 2.001 63 K HA -0.022 4.298 4.320 -0.000 0.000 0.208 63 K C 2.487 179.137 176.600 0.083 0.000 1.048 63 K CA 1.782 58.178 56.287 0.182 0.000 0.932 63 K CB -0.359 32.323 32.500 0.302 0.000 0.715 63 K HN 0.280 nan 8.250 nan 0.000 0.437 64 T N 1.581 116.086 114.554 -0.082 0.000 2.821 64 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 64 T C 1.691 176.220 174.700 -0.286 0.000 1.046 64 T CA 1.037 62.870 62.100 -0.446 0.000 1.139 64 T CB -0.091 68.555 68.868 -0.370 0.000 0.871 64 T HN 0.159 nan 8.240 nan 0.000 0.454 65 E N 0.982 121.096 120.200 -0.143 0.000 2.085 65 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 65 E C 2.202 178.724 176.600 -0.129 0.000 0.994 65 E CA 0.854 57.178 56.400 -0.128 0.000 0.801 65 E CB -0.394 29.279 29.700 -0.045 0.000 0.743 65 E HN 0.522 nan 8.360 nan 0.000 0.453 66 I N 0.654 121.187 120.570 -0.061 0.000 2.226 66 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 66 I C 2.417 178.491 176.117 -0.072 0.000 1.100 66 I CA 1.096 62.379 61.300 -0.028 0.000 1.374 66 I CB -0.309 37.715 38.000 0.041 0.000 1.057 66 I HN 0.014 nan 8.210 nan 0.000 0.413 67 A N 0.619 123.382 122.820 -0.095 0.000 1.873 67 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 67 A C 2.400 179.673 177.584 -0.520 0.000 1.186 67 A CA 1.468 53.443 52.037 -0.103 0.000 0.616 67 A CB -0.563 18.498 19.000 0.101 0.000 0.823 67 A HN 0.259 nan 8.150 nan 0.000 0.442 68 R N -0.919 119.113 120.500 -0.780 0.000 2.081 68 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 68 R C 2.322 178.293 176.300 -0.549 0.000 1.131 68 R CA 1.365 56.872 56.100 -0.987 0.000 0.960 68 R CB -0.135 29.768 30.300 -0.662 0.000 0.856 68 R HN 0.326 nan 8.270 nan 0.000 0.436 69 R N 0.376 120.660 120.500 -0.360 0.000 2.148 69 R HA -0.048 4.292 4.340 -0.000 0.000 0.223 69 R C 2.111 178.300 176.300 -0.184 0.000 1.088 69 R CA 0.577 56.516 56.100 -0.268 0.000 0.985 69 R CB -0.659 29.520 30.300 -0.201 0.000 0.880 69 R HN 0.288 nan 8.270 nan 0.000 0.451 70 L N 0.668 121.796 121.223 -0.158 0.000 2.027 70 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 70 L C 1.993 178.817 176.870 -0.078 0.000 1.074 70 L CA 1.967 56.761 54.840 -0.077 0.000 0.745 70 L CB -0.851 41.194 42.059 -0.025 0.000 0.898 70 L HN 0.102 nan 8.230 nan 0.000 0.433 71 A N -0.001 122.743 122.820 -0.126 0.000 1.898 71 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 71 A C 2.347 179.880 177.584 -0.085 0.000 1.181 71 A CA 1.715 53.716 52.037 -0.060 0.000 0.620 71 A CB -0.547 18.443 19.000 -0.017 0.000 0.819 71 A HN 0.459 nan 8.150 nan 0.000 0.442 72 K N -0.823 119.481 120.400 -0.159 0.000 2.442 72 K HA -0.064 4.256 4.320 -0.000 0.000 0.198 72 K C 1.619 178.158 176.600 -0.102 0.000 1.042 72 K CA 0.907 57.114 56.287 -0.134 0.000 0.958 72 K CB -0.166 32.218 32.500 -0.193 0.000 0.766 72 K HN 0.376 nan 8.250 nan 0.000 0.474 73 L N -0.034 121.134 121.223 -0.091 0.000 2.162 73 L HA 0.129 4.469 4.340 -0.000 0.000 0.205 73 L C 1.594 178.438 176.870 -0.044 0.000 1.086 73 L CA 1.441 56.246 54.840 -0.060 0.000 0.778 73 L CB -0.105 41.926 42.059 -0.047 0.000 0.928 73 L HN 0.066 nan 8.230 nan 0.000 0.446 74 A N -0.854 121.940 122.820 -0.042 0.000 2.415 74 A HA 0.136 4.456 4.320 -0.000 0.000 0.248 74 A C 0.821 178.362 177.584 -0.072 0.000 1.299 74 A CA 0.058 52.066 52.037 -0.049 0.000 0.899 74 A CB -0.898 18.082 19.000 -0.034 0.000 0.997 74 A HN 0.564 nan 8.150 nan 0.000 0.506 75 N N -0.521 118.150 118.700 -0.049 0.000 2.699 75 N HA -0.201 4.539 4.740 -0.000 0.000 0.256 75 N C -0.007 175.484 175.510 -0.033 0.000 0.993 75 N CA 0.641 53.670 53.050 -0.035 0.000 0.759 75 N CB -0.802 37.670 38.487 -0.025 0.000 0.906 75 N HN 0.701 nan 8.380 nan 0.000 0.541 76 A N 1.010 123.829 122.820 -0.003 0.000 2.337 76 A HA 0.743 5.063 4.320 -0.000 0.000 0.331 76 A C -2.440 175.200 177.584 0.094 0.000 1.137 76 A CA -1.327 50.741 52.037 0.052 0.000 0.807 76 A CB 1.154 20.205 19.000 0.085 0.000 1.250 76 A HN 0.165 nan 8.150 nan 0.000 0.468 77 P HA 0.362 nan 4.420 nan 0.000 0.271 77 P C -1.191 176.197 177.300 0.148 0.000 1.220 77 P CA 0.377 63.537 63.100 0.099 0.000 0.768 77 P CB 0.199 31.935 31.700 0.060 0.000 0.848 78 F N 4.976 124.919 119.950 -0.011 0.000 2.529 78 F HA 0.666 5.193 4.527 -0.000 0.000 0.320 78 F C -1.226 174.573 175.800 -0.002 0.000 1.118 78 F CA -1.053 56.939 58.000 -0.013 0.000 0.915 78 F CB 1.077 40.062 39.000 -0.024 0.000 1.161 78 F HN 0.145 nan 8.300 nan 0.000 0.445 79 I N 5.832 125.990 120.570 -0.687 0.000 2.647 79 I HA 0.451 4.621 4.170 -0.000 0.000 0.295 79 I C -1.737 174.007 176.117 -0.621 0.000 1.078 79 I CA -0.435 60.597 61.300 -0.447 0.000 1.048 79 I CB 1.801 39.681 38.000 -0.200 0.000 1.239 79 I HN 0.638 nan 8.210 nan 0.000 0.421 80 K N 7.724 127.966 120.400 -0.262 0.000 2.507 80 K HA 0.644 4.964 4.320 -0.000 0.000 0.253 80 K C -1.677 174.965 176.600 0.071 0.000 0.969 80 K CA -0.664 55.601 56.287 -0.037 0.000 0.908 80 K CB 1.250 33.799 32.500 0.082 0.000 1.127 80 K HN 0.543 nan 8.250 nan 0.000 0.437 81 V N 0.652 120.637 119.914 0.118 0.000 2.547 81 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 81 V C -0.336 175.841 176.094 0.139 0.000 1.040 81 V CA -0.866 61.511 62.300 0.129 0.000 0.913 81 V CB 1.697 33.647 31.823 0.212 0.000 0.992 81 V HN 0.624 nan 8.190 nan 0.000 0.449 82 E N 2.839 123.080 120.200 0.069 0.000 2.044 82 E HA 0.406 4.756 4.350 -0.000 0.000 0.282 82 E C 1.228 177.852 176.600 0.041 0.000 1.031 82 E CA 0.214 56.639 56.400 0.042 0.000 0.824 82 E CB 1.520 31.212 29.700 -0.013 0.000 1.076 82 E HN 0.915 nan 8.360 nan 0.000 0.395 83 A N 3.639 126.523 122.820 0.106 0.000 1.940 83 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 83 A C 2.107 179.783 177.584 0.154 0.000 1.190 83 A CA 2.670 54.820 52.037 0.188 0.000 0.647 83 A CB -0.944 18.107 19.000 0.085 0.000 0.821 83 A HN 0.638 nan 8.150 nan 0.000 0.457 84 T N -1.840 112.724 114.554 0.017 0.000 3.025 84 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 84 T C 1.572 176.203 174.700 -0.114 0.000 1.126 84 T CA 1.457 63.538 62.100 -0.031 0.000 1.105 84 T CB -0.296 68.540 68.868 -0.053 0.000 0.884 84 T HN 0.658 nan 8.240 nan 0.000 0.522 85 K N 0.699 120.941 120.400 -0.263 0.000 2.209 85 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 85 K C 0.864 177.139 176.600 -0.542 0.000 1.048 85 K CA 1.142 57.135 56.287 -0.490 0.000 0.940 85 K CB -0.315 31.717 32.500 -0.780 0.000 0.729 85 K HN 0.484 nan 8.250 nan 0.000 0.451 86 F N 0.132 120.057 119.950 -0.040 0.000 2.765 86 F HA 0.123 4.650 4.527 -0.000 0.000 0.302 86 F C 1.843 177.604 175.800 -0.064 0.000 1.111 86 F CA 0.193 58.167 58.000 -0.044 0.000 1.359 86 F CB 0.011 38.989 39.000 -0.037 0.000 1.097 86 F HN -0.070 nan 8.300 nan 0.000 0.577 87 T N -0.541 114.028 114.554 0.025 0.000 2.788 87 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 87 T C 1.620 176.251 174.700 -0.116 0.000 1.044 87 T CA 1.381 63.458 62.100 -0.040 0.000 1.139 87 T CB -0.185 68.637 68.868 -0.075 0.000 0.867 87 T HN 0.363 nan 8.240 nan 0.000 0.454 88 E N 1.014 121.141 120.200 -0.121 0.000 2.502 88 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 88 E C 2.255 178.809 176.600 -0.077 0.000 1.062 88 E CA 0.105 56.405 56.400 -0.167 0.000 0.867 88 E CB -0.081 29.548 29.700 -0.119 0.000 0.888 88 E HN 0.484 nan 8.360 nan 0.000 0.510 89 V N -2.041 117.869 119.914 -0.006 0.000 2.720 89 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 89 V C 2.019 178.150 176.094 0.062 0.000 1.082 89 V CA 1.743 64.076 62.300 0.055 0.000 1.101 89 V CB -0.994 30.896 31.823 0.112 0.000 0.693 89 V HN 0.206 nan 8.190 nan 0.000 0.479 90 G N -0.717 108.095 108.800 0.019 0.000 2.442 90 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 90 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 90 G C 1.453 176.532 174.900 0.298 0.000 1.141 90 G CA 1.360 46.514 45.100 0.089 0.000 0.763 90 G HN 0.659 nan 8.290 nan 0.000 0.554 91 Y N -0.588 119.719 120.300 0.013 0.000 2.476 91 Y HA 0.319 4.869 4.550 -0.000 0.000 0.283 91 Y C 0.347 176.253 175.900 0.009 0.000 1.109 91 Y CA 0.213 58.318 58.100 0.008 0.000 1.246 91 Y CB 0.881 39.343 38.460 0.004 0.000 1.068 91 Y HN 0.114 nan 8.280 nan 0.000 0.552 92 V N -2.261 117.754 119.914 0.170 0.000 2.616 92 V HA 0.546 4.666 4.120 -0.000 0.000 0.242 92 V C -0.780 175.353 176.094 0.065 0.000 1.883 92 V CA -0.916 61.442 62.300 0.096 0.000 0.754 92 V CB 0.194 32.064 31.823 0.079 0.000 1.299 92 V HN 0.193 nan 8.190 nan 0.000 0.524 93 G N 1.821 110.656 108.800 0.059 0.000 2.576 93 G HA2 0.641 4.601 3.960 -0.000 0.000 0.290 93 G HA3 0.641 4.601 3.960 -0.000 0.000 0.290 93 G C -1.289 173.656 174.900 0.075 0.000 1.442 93 G CA -0.854 44.272 45.100 0.043 0.000 0.792 93 G HN 1.103 nan 8.290 nan 0.000 0.491 94 K N 0.630 121.065 120.400 0.059 0.000 2.524 94 K HA 0.260 4.580 4.320 -0.000 0.000 0.279 94 K C 0.467 177.224 176.600 0.262 0.000 0.993 94 K CA 0.251 56.609 56.287 0.119 0.000 1.030 94 K CB 0.253 32.787 32.500 0.057 0.000 0.891 94 K HN 0.480 nan 8.250 nan 0.000 0.488 95 E N 1.702 122.012 120.200 0.182 0.000 2.392 95 E HA 0.023 4.373 4.350 -0.000 0.000 0.256 95 E C 0.703 177.379 176.600 0.127 0.000 1.145 95 E CA -0.275 56.202 56.400 0.128 0.000 0.929 95 E CB 0.432 30.165 29.700 0.054 0.000 0.998 95 E HN 0.270 nan 8.360 nan 0.000 0.442 96 V N 1.382 121.226 119.914 -0.118 0.000 3.217 96 V HA -0.143 3.976 4.120 -0.000 0.000 0.264 96 V C 0.796 176.778 176.094 -0.186 0.000 1.135 96 V CA 1.201 63.236 62.300 -0.443 0.000 1.142 96 V CB -0.503 30.959 31.823 -0.602 0.000 0.754 96 V HN 0.566 nan 8.190 nan 0.000 0.484 97 D N 0.956 121.312 120.400 -0.073 0.000 2.219 97 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 97 D C 2.410 178.711 176.300 0.002 0.000 0.970 97 D CA 1.606 55.586 54.000 -0.034 0.000 0.851 97 D CB -0.226 40.562 40.800 -0.019 0.000 0.943 97 D HN 0.616 nan 8.370 nan 0.000 0.488 98 S N 1.121 116.847 115.700 0.044 0.000 2.392 98 S HA -0.220 4.250 4.470 -0.000 0.000 0.232 98 S C 2.218 176.859 174.600 0.068 0.000 1.041 98 S CA 0.722 58.965 58.200 0.070 0.000 1.026 98 S CB -0.848 62.432 63.200 0.134 0.000 0.845 98 S HN 0.292 nan 8.310 nan 0.000 0.465 99 I N 1.327 121.950 120.570 0.089 0.000 2.145 99 I HA -0.188 3.982 4.170 -0.000 0.000 0.244 99 I C 2.155 178.288 176.117 0.028 0.000 1.075 99 I CA 1.420 62.769 61.300 0.082 0.000 1.332 99 I CB -0.440 37.607 38.000 0.079 0.000 1.033 99 I HN 0.329 nan 8.210 nan 0.000 0.410 100 I N 0.201 120.780 120.570 0.015 0.000 2.761 100 I HA -0.128 4.042 4.170 -0.000 0.000 0.261 100 I C 2.524 178.623 176.117 -0.030 0.000 1.198 100 I CA 1.181 62.478 61.300 -0.005 0.000 1.482 100 I CB -1.179 36.824 38.000 0.005 0.000 1.100 100 I HN 0.265 nan 8.210 nan 0.000 0.445 101 R N 0.788 121.270 120.500 -0.030 0.000 2.055 101 R HA -0.116 4.224 4.340 -0.000 0.000 0.228 101 R C 1.805 178.058 176.300 -0.078 0.000 1.143 101 R CA 1.340 57.400 56.100 -0.067 0.000 0.945 101 R CB -0.262 30.009 30.300 -0.049 0.000 0.841 101 R HN 0.276 nan 8.270 nan 0.000 0.429 102 D N 1.205 121.584 120.400 -0.035 0.000 2.182 102 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 102 D C 1.886 178.168 176.300 -0.029 0.000 0.986 102 D CA 0.731 54.717 54.000 -0.024 0.000 0.847 102 D CB -0.163 40.639 40.800 0.003 0.000 0.942 102 D HN 0.149 nan 8.370 nan 0.000 0.467 103 L N 0.620 121.821 121.223 -0.036 0.000 2.017 103 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 103 L C 2.151 179.003 176.870 -0.031 0.000 1.073 103 L CA 1.336 56.151 54.840 -0.042 0.000 0.745 103 L CB -0.328 41.696 42.059 -0.057 0.000 0.894 103 L HN 0.041 nan 8.230 nan 0.000 0.432 104 T N -0.735 113.788 114.554 -0.052 0.000 2.777 104 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 104 T C 1.350 176.022 174.700 -0.047 0.000 1.040 104 T CA 1.480 63.544 62.100 -0.059 0.000 1.141 104 T CB -0.239 68.552 68.868 -0.128 0.000 0.868 104 T HN 0.351 nan 8.240 nan 0.000 0.444 105 D N 1.221 121.567 120.400 -0.090 0.000 2.218 105 D HA 0.030 4.670 4.640 -0.000 0.000 0.204 105 D C 2.045 178.378 176.300 0.055 0.000 0.976 105 D CA 0.938 54.934 54.000 -0.007 0.000 0.853 105 D CB -0.225 40.559 40.800 -0.028 0.000 0.939 105 D HN 0.432 nan 8.370 nan 0.000 0.481 106 A N 0.126 122.964 122.820 0.031 0.000 2.095 106 A HA 0.343 4.663 4.320 -0.000 0.000 0.212 106 A C 2.074 179.689 177.584 0.051 0.000 1.162 106 A CA 0.908 52.971 52.037 0.042 0.000 0.753 106 A CB -0.022 18.999 19.000 0.035 0.000 0.840 106 A HN 0.163 nan 8.150 nan 0.000 0.468 107 A N -0.771 122.078 122.820 0.049 0.000 2.206 107 A HA 0.298 4.618 4.320 -0.000 0.000 0.211 107 A C 1.851 179.480 177.584 0.075 0.000 1.158 107 A CA 1.272 53.343 52.037 0.058 0.000 0.761 107 A CB -0.233 18.795 19.000 0.047 0.000 0.801 107 A HN 0.271 nan 8.150 nan 0.000 0.473 108 V N -0.525 119.446 119.914 0.095 0.000 2.521 108 V HA -0.050 4.070 4.120 -0.000 0.000 0.239 108 V C 2.257 178.397 176.094 0.077 0.000 1.053 108 V CA 1.786 64.154 62.300 0.114 0.000 1.073 108 V CB -0.096 31.857 31.823 0.216 0.000 0.746 108 V HN 0.557 nan 8.190 nan 0.000 0.476 109 K N 0.045 120.489 120.400 0.075 0.000 2.520 109 K HA -0.156 4.164 4.320 -0.000 0.000 0.197 109 K C 1.788 178.413 176.600 0.042 0.000 1.044 109 K CA 1.664 57.982 56.287 0.052 0.000 0.938 109 K CB -0.200 32.328 32.500 0.048 0.000 0.767 109 K HN 0.481 nan 8.250 nan 0.000 0.481 110 M N -0.850 118.778 119.600 0.047 0.000 2.544 110 M HA -0.047 4.433 4.480 -0.000 0.000 0.251 110 M C 1.715 178.038 176.300 0.038 0.000 1.189 110 M CA 0.978 56.303 55.300 0.040 0.000 1.218 110 M CB 0.156 32.783 32.600 0.046 0.000 1.259 110 M HN 0.028 nan 8.290 nan 0.000 0.495 111 V N -0.816 119.126 119.914 0.046 0.000 2.688 111 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 111 V C 2.137 178.251 176.094 0.033 0.000 1.084 111 V CA 2.217 64.544 62.300 0.044 0.000 1.103 111 V CB -1.432 30.423 31.823 0.053 0.000 0.688 111 V HN 0.603 nan 8.190 nan 0.000 0.480 112 R N -0.076 120.443 120.500 0.031 0.000 2.127 112 R HA 0.045 4.385 4.340 -0.000 0.000 0.217 112 R C 2.085 178.397 176.300 0.019 0.000 1.074 112 R CA 1.307 57.419 56.100 0.021 0.000 0.991 112 R CB -0.089 30.222 30.300 0.018 0.000 0.895 112 R HN 0.447 nan 8.270 nan 0.000 0.450 113 V N 1.167 121.093 119.914 0.021 0.000 2.407 113 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 113 V C 1.729 177.833 176.094 0.017 0.000 1.041 113 V CA 1.537 63.848 62.300 0.017 0.000 1.040 113 V CB -0.254 31.579 31.823 0.016 0.000 0.671 113 V HN 0.399 nan 8.190 nan 0.000 0.455 114 Q N -0.508 119.304 119.800 0.019 0.000 2.491 114 Q HA 0.126 4.466 4.340 -0.000 0.000 0.214 114 Q C 1.830 177.842 176.000 0.019 0.000 0.970 114 Q CA 0.711 56.525 55.803 0.018 0.000 0.960 114 Q CB 0.007 28.756 28.738 0.019 0.000 0.996 114 Q HN 0.673 nan 8.270 nan 0.000 0.524 115 A N 0.178 123.009 122.820 0.019 0.000 2.035 115 A HA 0.036 4.356 4.320 -0.000 0.000 0.208 115 A C 1.671 179.267 177.584 0.020 0.000 1.206 115 A CA 0.066 52.114 52.037 0.019 0.000 0.773 115 A CB 0.288 19.298 19.000 0.017 0.000 0.878 115 A HN 0.220 nan 8.150 nan 0.000 0.469 116 I N 0.528 121.109 120.570 0.019 0.000 3.001 116 I HA -0.092 4.078 4.170 -0.000 0.000 0.268 116 I C 1.950 178.083 176.117 0.026 0.000 1.267 116 I CA 1.163 62.475 61.300 0.019 0.000 1.472 116 I CB -1.006 37.002 38.000 0.014 0.000 1.089 116 I HN 0.274 nan 8.210 nan 0.000 0.468 117 E N 1.516 121.732 120.200 0.027 0.000 2.014 117 E HA -0.093 4.256 4.350 -0.000 0.000 0.190 117 E C 2.120 178.750 176.600 0.049 0.000 0.980 117 E CA 1.182 57.603 56.400 0.035 0.000 0.807 117 E CB -0.105 29.610 29.700 0.025 0.000 0.770 117 E HN 0.312 nan 8.360 nan 0.000 0.451 118 K N 0.302 120.723 120.400 0.036 0.000 2.211 118 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 118 K C 0.227 176.861 176.600 0.057 0.000 1.050 118 K CA 0.857 57.166 56.287 0.036 0.000 0.945 118 K CB -0.189 32.321 32.500 0.017 0.000 0.732 118 K HN 0.125 nan 8.250 nan 0.000 0.451 119 N N 0.973 119.702 118.700 0.049 0.000 3.025 119 N HA 0.119 4.859 4.740 -0.000 0.000 0.315 119 N C 0.375 175.914 175.510 0.047 0.000 1.511 119 N CA -0.131 52.947 53.050 0.047 0.000 1.097 119 N CB 0.665 39.169 38.487 0.029 0.000 1.395 119 N HN 0.087 nan 8.380 nan 0.000 0.511 120 R N -0.638 119.906 120.500 0.074 0.000 2.637 120 R HA 0.111 4.451 4.340 -0.000 0.000 0.262 120 R C 0.321 176.651 176.300 0.050 0.000 0.959 120 R CA -0.073 56.057 56.100 0.050 0.000 1.061 120 R CB 0.266 30.596 30.300 0.051 0.000 1.610 120 R HN 0.234 nan 8.270 nan 0.000 0.548 121 Y N 0.352 120.650 120.300 -0.002 0.000 2.382 121 Y HA 0.251 4.801 4.550 -0.000 0.000 0.263 121 Y C 1.843 177.742 175.900 -0.002 0.000 1.103 121 Y CA 0.614 58.713 58.100 -0.002 0.000 1.223 121 Y CB 0.317 38.775 38.460 -0.002 0.000 1.124 121 Y HN -0.224 nan 8.280 nan 0.000 0.501 122 R N 0.587 121.245 120.500 0.264 0.000 2.241 122 R HA -0.098 4.242 4.340 -0.000 0.000 0.224 122 R C 1.905 178.247 176.300 0.070 0.000 1.101 122 R CA 0.885 57.072 56.100 0.144 0.000 0.995 122 R CB -0.595 29.766 30.300 0.101 0.000 0.870 122 R HN 0.423 nan 8.270 nan 0.000 0.463 123 A N 1.626 124.481 122.820 0.057 0.000 2.014 123 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 123 A C 1.599 179.184 177.584 0.001 0.000 1.163 123 A CA 1.236 53.287 52.037 0.024 0.000 0.652 123 A CB -0.036 18.977 19.000 0.022 0.000 0.808 123 A HN 0.500 nan 8.150 nan 0.000 0.449 124 E N -1.029 119.160 120.200 -0.018 0.000 2.660 124 E HA 0.192 4.542 4.350 -0.000 0.000 0.216 124 E C 0.992 177.559 176.600 -0.055 0.000 0.986 124 E CA 0.329 56.702 56.400 -0.046 0.000 1.037 124 E CB 0.009 29.665 29.700 -0.074 0.000 1.041 124 E HN 0.612 nan 8.360 nan 0.000 0.480 125 E N 0.448 120.635 120.200 -0.021 0.000 2.431 125 E HA 0.047 4.397 4.350 -0.000 0.000 0.200 125 E C 1.094 177.701 176.600 0.011 0.000 0.995 125 E CA 0.097 56.496 56.400 -0.001 0.000 0.915 125 E CB 0.434 30.177 29.700 0.072 0.000 0.930 125 E HN 0.191 nan 8.360 nan 0.000 0.496 126 L N 0.047 121.277 121.223 0.010 0.000 2.664 126 L HA 0.359 4.699 4.340 -0.000 0.000 0.233 126 L C 1.849 178.716 176.870 -0.005 0.000 1.113 126 L CA 0.651 55.494 54.840 0.005 0.000 0.896 126 L CB 0.039 42.104 42.059 0.010 0.000 1.163 126 L HN 0.144 nan 8.230 nan 0.000 0.497 127 A N -0.496 122.318 122.820 -0.010 0.000 2.132 127 A HA -0.020 4.300 4.320 -0.000 0.000 0.213 127 A C 2.058 179.632 177.584 -0.017 0.000 1.154 127 A CA 0.519 52.547 52.037 -0.015 0.000 0.753 127 A CB 0.050 19.039 19.000 -0.018 0.000 0.826 127 A HN 0.365 nan 8.150 nan 0.000 0.469 128 E N 0.092 120.281 120.200 -0.017 0.000 2.051 128 E HA -0.138 4.211 4.350 -0.000 0.000 0.189 128 E C 1.677 178.266 176.600 -0.018 0.000 0.979 128 E CA 0.911 57.302 56.400 -0.015 0.000 0.803 128 E CB -0.197 29.495 29.700 -0.012 0.000 0.761 128 E HN 0.680 nan 8.360 nan 0.000 0.451 129 E N 0.848 121.036 120.200 -0.019 0.000 2.169 129 E HA -0.292 4.058 4.350 -0.000 0.000 0.202 129 E C 2.091 178.669 176.600 -0.036 0.000 1.016 129 E CA 1.193 57.576 56.400 -0.028 0.000 0.817 129 E CB -0.114 29.572 29.700 -0.023 0.000 0.736 129 E HN 0.017 nan 8.360 nan 0.000 0.462 130 R N 0.539 121.021 120.500 -0.029 0.000 2.075 130 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 130 R C 2.304 178.583 176.300 -0.035 0.000 1.140 130 R CA 1.375 57.457 56.100 -0.030 0.000 0.928 130 R CB -0.560 29.726 30.300 -0.022 0.000 0.834 130 R HN 0.151 nan 8.270 nan 0.000 0.429 131 I N 0.510 121.064 120.570 -0.027 0.000 2.264 131 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 131 I C 1.660 177.752 176.117 -0.043 0.000 1.111 131 I CA 1.511 62.797 61.300 -0.023 0.000 1.382 131 I CB -0.159 37.838 38.000 -0.005 0.000 1.060 131 I HN 0.255 nan 8.210 nan 0.000 0.418 132 L N -0.174 121.015 121.223 -0.056 0.000 2.093 132 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 132 L C 1.617 178.391 176.870 -0.161 0.000 1.085 132 L CA 1.145 55.917 54.840 -0.112 0.000 0.755 132 L CB -0.871 41.136 42.059 -0.087 0.000 0.904 132 L HN 0.169 nan 8.230 nan 0.000 0.435 133 D N -0.703 119.630 120.400 -0.111 0.000 2.403 133 D HA -0.113 4.527 4.640 -0.000 0.000 0.227 133 D C 1.451 177.685 176.300 -0.110 0.000 0.995 133 D CA 0.705 54.639 54.000 -0.110 0.000 0.928 133 D CB 0.259 41.011 40.800 -0.079 0.000 0.887 133 D HN 0.119 nan 8.370 nan 0.000 0.529 134 V N -0.289 119.558 119.914 -0.112 0.000 3.330 134 V HA 0.180 4.300 4.120 -0.000 0.000 0.309 134 V C 0.984 177.012 176.094 -0.111 0.000 1.481 134 V CA 0.074 62.320 62.300 -0.090 0.000 1.068 134 V CB 0.138 31.929 31.823 -0.054 0.000 0.935 134 V HN 0.079 nan 8.190 nan 0.000 0.453 135 L N -0.066 121.033 121.223 -0.207 0.000 2.672 135 L HA 0.463 4.803 4.340 -0.000 0.000 0.236 135 L C 0.280 176.813 176.870 -0.562 0.000 1.092 135 L CA 0.292 54.940 54.840 -0.319 0.000 0.887 135 L CB 0.990 42.816 42.059 -0.388 0.000 1.168 135 L HN 0.134 nan 8.230 nan 0.000 0.502 136 I N 0.687 120.985 120.570 -0.453 0.000 2.878 136 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 136 I C -2.488 173.502 176.117 -0.211 0.000 1.593 136 I CA -1.530 59.552 61.300 -0.364 0.000 0.806 136 I CB 0.760 38.486 38.000 -0.456 0.000 1.811 136 I HN -0.215 nan 8.210 nan 0.000 0.593 137 P HA 0.049 nan 4.420 nan 0.000 0.253 137 P C -2.126 175.105 177.300 -0.114 0.000 1.170 137 P CA -0.233 62.797 63.100 -0.115 0.000 0.806 137 P CB -0.218 31.430 31.700 -0.087 0.000 0.775 138 P HA -0.059 nan 4.420 nan 0.000 0.268 138 P C -0.030 177.178 177.300 -0.154 0.000 1.189 138 P CA 0.337 63.358 63.100 -0.132 0.000 0.771 138 P CB 0.398 32.024 31.700 -0.125 0.000 0.822 139 A N 2.646 125.342 122.820 -0.207 0.000 2.507 139 A HA 0.026 4.346 4.320 -0.000 0.000 0.235 139 A C 0.074 177.484 177.584 -0.291 0.000 1.070 139 A CA 0.170 52.037 52.037 -0.284 0.000 0.768 139 A CB -0.183 18.511 19.000 -0.511 0.000 1.011 139 A HN 0.416 nan 8.150 nan 0.000 0.502 140 K N 2.974 123.230 120.400 -0.240 0.000 2.166 140 K HA 0.189 4.509 4.320 -0.000 0.000 0.273 140 K C -0.419 176.030 176.600 -0.252 0.000 1.095 140 K CA 0.331 56.511 56.287 -0.178 0.000 0.985 140 K CB -0.428 32.018 32.500 -0.091 0.000 1.172 140 K HN 0.614 nan 8.250 nan 0.000 0.401 141 N N 2.805 121.341 118.700 -0.272 0.000 2.728 141 N HA -0.140 4.600 4.740 -0.000 0.000 0.271 141 N C -0.950 174.203 175.510 -0.595 0.000 1.212 141 N CA 0.040 52.912 53.050 -0.297 0.000 0.646 141 N CB -0.629 37.752 38.487 -0.176 0.000 0.976 141 N HN 0.863 nan 8.380 nan 0.000 0.544 142 N N 0.826 119.252 118.700 -0.457 0.000 2.344 142 N HA -0.031 4.709 4.740 -0.000 0.000 0.236 142 N C -0.360 174.883 175.510 -0.445 0.000 1.279 142 N CA 0.521 53.270 53.050 -0.501 0.000 0.882 142 N CB 0.565 38.914 38.487 -0.231 0.000 1.110 142 N HN 0.383 nan 8.380 nan 0.000 0.436 143 W N 0.045 121.343 121.300 -0.005 0.000 2.298 143 W HA 0.333 4.992 4.660 -0.000 0.000 0.327 143 W C 0.586 177.103 176.519 -0.002 0.000 0.988 143 W CA -1.197 56.146 57.345 -0.003 0.000 1.448 143 W CB 0.389 29.848 29.460 -0.002 0.000 1.243 143 W HN 0.681 nan 8.180 nan 0.000 0.388 144 G N 3.695 112.597 108.800 0.169 0.000 2.452 144 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.290 144 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.290 144 G C 0.662 175.621 174.900 0.099 0.000 0.717 144 G CA 0.395 45.556 45.100 0.102 0.000 1.967 144 G HN 0.431 nan 8.290 nan 0.000 0.471 145 Q N 0.692 120.549 119.800 0.094 0.000 2.113 145 Q HA 0.030 4.370 4.340 -0.000 0.000 0.225 145 Q C 1.735 177.767 176.000 0.053 0.000 0.786 145 Q CA 0.799 56.646 55.803 0.074 0.000 0.989 145 Q CB 0.271 29.062 28.738 0.089 0.000 1.174 145 Q HN 1.135 nan 8.270 nan 0.000 0.470 146 T N -2.083 112.500 114.554 0.047 0.000 8.547 146 T HA -0.325 4.025 4.350 -0.000 0.000 0.354 146 T C 0.775 175.495 174.700 0.033 0.000 1.814 146 T CA 2.326 64.446 62.100 0.033 0.000 2.663 146 T CB -1.113 67.771 68.868 0.026 0.000 2.776 146 T HN 0.512 nan 8.240 nan 0.000 1.256 147 E N -1.300 118.926 120.200 0.044 0.000 2.603 147 E HA 0.151 4.501 4.350 -0.000 0.000 0.218 147 E C 1.774 178.408 176.600 0.057 0.000 0.878 147 E CA -0.262 56.163 56.400 0.042 0.000 1.348 147 E CB 0.116 29.838 29.700 0.036 0.000 1.318 147 E HN 0.356 nan 8.360 nan 0.000 0.673 148 Q N 0.496 120.344 119.800 0.079 0.000 2.369 148 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 148 Q C 1.562 177.619 176.000 0.095 0.000 0.963 148 Q CA 1.053 56.929 55.803 0.121 0.000 0.894 148 Q CB 0.431 29.289 28.738 0.199 0.000 0.965 148 Q HN 0.238 nan 8.270 nan 0.000 0.475 149 Q N 0.647 120.480 119.800 0.055 0.000 2.089 149 Q HA -0.137 4.203 4.340 -0.000 0.000 0.195 149 Q C 1.139 177.150 176.000 0.019 0.000 0.963 149 Q CA 1.261 57.075 55.803 0.018 0.000 0.834 149 Q CB 0.148 28.889 28.738 0.006 0.000 0.906 149 Q HN 0.310 nan 8.270 nan 0.000 0.452 150 Q N -0.122 119.694 119.800 0.027 0.000 2.307 150 Q HA 0.024 4.364 4.340 -0.000 0.000 0.216 150 Q C 0.706 176.727 176.000 0.035 0.000 0.931 150 Q CA 0.322 56.141 55.803 0.027 0.000 0.953 150 Q CB 0.258 29.012 28.738 0.026 0.000 1.006 150 Q HN 0.205 nan 8.270 nan 0.000 0.472 151 E N 1.227 121.453 120.200 0.043 0.000 2.006 151 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 151 E C -0.603 176.025 176.600 0.048 0.000 0.993 151 E CA 1.091 57.522 56.400 0.053 0.000 0.808 151 E CB -1.433 28.312 29.700 0.075 0.000 0.764 151 E HN 0.353 nan 8.360 nan 0.000 0.449 152 P HA -0.053 nan 4.420 nan 0.000 0.218 152 P C 0.429 177.762 177.300 0.055 0.000 1.146 152 P CA 0.958 64.088 63.100 0.051 0.000 0.813 152 P CB -0.135 31.585 31.700 0.035 0.000 0.778 153 S N -1.115 114.610 115.700 0.043 0.000 3.237 153 S HA 0.003 4.473 4.470 -0.000 0.000 0.242 153 S C 1.106 175.735 174.600 0.048 0.000 0.964 153 S CA 0.746 58.972 58.200 0.044 0.000 1.189 153 S CB -1.070 62.150 63.200 0.034 0.000 1.063 153 S HN 0.250 nan 8.310 nan 0.000 0.509 154 A N 0.912 123.768 122.820 0.061 0.000 1.677 154 A HA 0.751 5.071 4.320 -0.000 0.000 0.149 154 A C 1.720 179.363 177.584 0.097 0.000 1.624 154 A CA 0.388 52.464 52.037 0.064 0.000 1.596 154 A CB -1.030 18.004 19.000 0.057 0.000 1.396 154 A HN 0.484 nan 8.150 nan 0.000 1.088 155 A N 0.258 123.151 122.820 0.122 0.000 1.851 155 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 155 A C 2.114 179.898 177.584 0.332 0.000 1.195 155 A CA 2.643 54.812 52.037 0.220 0.000 0.622 155 A CB -0.694 18.417 19.000 0.185 0.000 0.831 155 A HN 0.548 nan 8.150 nan 0.000 0.444 156 R N -0.278 120.326 120.500 0.173 0.000 2.115 156 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 156 R C 2.408 178.824 176.300 0.194 0.000 1.133 156 R CA 2.505 58.679 56.100 0.123 0.000 0.935 156 R CB -0.783 29.538 30.300 0.034 0.000 0.853 156 R HN 0.708 nan 8.270 nan 0.000 0.433 157 Q N -0.869 119.008 119.800 0.130 0.000 2.077 157 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 157 Q C 2.115 178.180 176.000 0.109 0.000 0.989 157 Q CA 1.980 57.842 55.803 0.099 0.000 0.853 157 Q CB -0.340 28.436 28.738 0.063 0.000 0.907 157 Q HN 0.536 nan 8.270 nan 0.000 0.418 158 A N 0.422 123.309 122.820 0.112 0.000 1.927 158 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 158 A C 1.743 179.298 177.584 -0.049 0.000 1.185 158 A CA 1.728 53.766 52.037 0.001 0.000 0.639 158 A CB -0.895 18.062 19.000 -0.073 0.000 0.820 158 A HN 0.365 nan 8.150 nan 0.000 0.451 159 F N -0.827 119.121 119.950 -0.004 0.000 2.259 159 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 159 F C 2.522 178.316 175.800 -0.009 0.000 1.088 159 F CA 1.269 59.265 58.000 -0.007 0.000 1.358 159 F CB -0.313 38.683 39.000 -0.007 0.000 1.040 159 F HN 0.086 nan 8.300 nan 0.000 0.505 160 R N 0.313 120.922 120.500 0.181 0.000 2.075 160 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 160 R C 2.222 178.550 176.300 0.047 0.000 1.126 160 R CA 1.328 57.483 56.100 0.092 0.000 0.963 160 R CB -0.261 30.081 30.300 0.070 0.000 0.858 160 R HN 0.171 nan 8.270 nan 0.000 0.435 161 K N 0.939 121.359 120.400 0.033 0.000 2.217 161 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 161 K C 1.346 177.940 176.600 -0.010 0.000 1.051 161 K CA 1.222 57.513 56.287 0.006 0.000 0.952 161 K CB 0.249 32.749 32.500 -0.000 0.000 0.736 161 K HN -0.009 nan 8.250 nan 0.000 0.453 162 K N 0.105 120.492 120.400 -0.022 0.000 2.426 162 K HA -0.004 4.316 4.320 -0.000 0.000 0.193 162 K C 0.787 177.378 176.600 -0.014 0.000 1.028 162 K CA 0.128 56.389 56.287 -0.044 0.000 1.047 162 K CB 0.303 32.738 32.500 -0.109 0.000 0.821 162 K HN 0.053 nan 8.250 nan 0.000 0.513 163 L N 0.815 122.046 121.223 0.013 0.000 2.848 163 L HA 0.159 4.499 4.340 -0.000 0.000 0.240 163 L C 0.726 177.598 176.870 0.004 0.000 1.232 163 L CA 0.350 55.203 54.840 0.021 0.000 1.031 163 L CB 0.122 42.210 42.059 0.048 0.000 1.338 163 L HN -0.133 nan 8.230 nan 0.000 0.509 164 R N 0.006 120.503 120.500 -0.004 0.000 2.362 164 R HA 0.206 4.546 4.340 -0.000 0.000 0.227 164 R C 0.471 176.762 176.300 -0.014 0.000 0.905 164 R CA 0.698 56.792 56.100 -0.011 0.000 1.067 164 R CB 0.477 30.771 30.300 -0.010 0.000 1.078 164 R HN 0.640 nan 8.270 nan 0.000 0.516 165 E N -2.227 117.965 120.200 -0.013 0.000 2.201 165 E HA -0.046 4.304 4.350 -0.000 0.000 0.271 165 E C 0.682 177.274 176.600 -0.013 0.000 1.080 165 E CA 0.209 56.601 56.400 -0.014 0.000 1.952 165 E CB -0.629 29.062 29.700 -0.015 0.000 3.129 165 E HN 0.031 nan 8.360 nan 0.000 1.052 166 G N 2.810 111.601 108.800 -0.015 0.000 2.690 166 G HA2 0.342 4.302 3.960 -0.000 0.000 0.294 166 G HA3 0.342 4.302 3.960 -0.000 0.000 0.294 166 G C 0.096 174.990 174.900 -0.010 0.000 0.793 166 G CA 0.630 45.721 45.100 -0.016 0.000 1.818 166 G HN 0.283 nan 8.290 nan 0.000 0.515 167 Q N 1.760 121.557 119.800 -0.005 0.000 3.061 167 Q HA 0.570 4.910 4.340 -0.000 0.000 0.217 167 Q C 1.352 177.353 176.000 0.003 0.000 1.149 167 Q CA -0.689 55.116 55.803 0.004 0.000 0.397 167 Q CB 0.348 29.090 28.738 0.006 0.000 5.498 167 Q HN 0.336 nan 8.270 nan 0.000 0.291 168 L N 0.282 121.507 121.223 0.003 0.000 4.988 168 L HA -0.259 4.081 4.340 -0.000 0.000 0.439 168 L C -1.091 175.782 176.870 0.005 0.000 1.080 168 L CA 0.938 55.779 54.840 0.002 0.000 1.018 168 L CB -2.030 40.028 42.059 -0.002 0.000 1.945 168 L HN 0.666 nan 8.230 nan 0.000 0.782 169 D N 1.205 121.612 120.400 0.010 0.000 2.359 169 D HA 0.332 4.972 4.640 -0.000 0.000 0.250 169 D C 0.456 176.766 176.300 0.016 0.000 1.264 169 D CA -0.304 53.705 54.000 0.015 0.000 0.911 169 D CB 0.295 41.109 40.800 0.024 0.000 1.056 169 D HN 0.208 nan 8.370 nan 0.000 0.499 170 D N 2.117 122.524 120.400 0.011 0.000 2.601 170 D HA -0.082 4.558 4.640 -0.000 0.000 0.229 170 D C 0.213 176.520 176.300 0.012 0.000 1.140 170 D CA 0.379 54.384 54.000 0.009 0.000 0.862 170 D CB 1.153 41.957 40.800 0.006 0.000 1.192 170 D HN 0.229 nan 8.370 nan 0.000 0.480 171 K N 0.512 120.917 120.400 0.008 0.000 1.740 171 K HA 0.460 4.780 4.320 -0.000 0.000 0.273 171 K C -0.898 175.702 176.600 -0.000 0.000 0.796 171 K CA -0.629 55.662 56.287 0.006 0.000 0.535 171 K CB 1.143 33.647 32.500 0.007 0.000 2.513 171 K HN 0.747 nan 8.250 nan 0.000 0.873 172 E N 0.979 121.176 120.200 -0.004 0.000 2.537 172 E HA 0.333 4.683 4.350 -0.000 0.000 0.301 172 E C -1.427 175.165 176.600 -0.013 0.000 0.990 172 E CA -0.533 55.863 56.400 -0.008 0.000 0.828 172 E CB 0.951 30.647 29.700 -0.007 0.000 1.243 172 E HN 0.448 nan 8.360 nan 0.000 0.414 173 I N -0.488 120.074 120.570 -0.013 0.000 3.229 173 I HA 0.622 4.792 4.170 -0.000 0.000 0.313 173 I C -0.976 175.132 176.117 -0.015 0.000 1.317 173 I CA -0.969 60.321 61.300 -0.017 0.000 0.940 173 I CB 1.125 39.114 38.000 -0.018 0.000 1.315 173 I HN 0.556 nan 8.210 nan 0.000 0.484 211 Q N 0.752 120.547 119.800 -0.008 0.000 2.606 211 Q HA 0.274 4.614 4.340 -0.000 0.000 0.215 211 Q C 0.830 176.824 176.000 -0.009 0.000 0.908 211 Q CA 0.457 56.255 55.803 -0.009 0.000 0.908 211 Q CB 1.204 29.935 28.738 -0.011 0.000 1.120 211 Q HN 0.519 nan 8.270 nan 0.000 0.628 212 K N -1.246 119.148 120.400 -0.009 0.000 2.811 212 K HA 0.079 4.399 4.320 -0.000 0.000 0.263 212 K C 0.023 176.618 176.600 -0.008 0.000 2.884 212 K CA 1.038 57.320 56.287 -0.009 0.000 1.529 212 K CB -1.072 31.422 32.500 -0.009 0.000 3.111 212 K HN 0.271 nan 8.250 nan 0.000 0.335 213 A N 1.602 124.416 122.820 -0.010 0.000 3.408 213 A HA -0.282 4.038 4.320 -0.000 0.000 0.269 213 A C 0.421 178.001 177.584 -0.008 0.000 1.124 213 A CA 2.154 54.185 52.037 -0.010 0.000 0.999 213 A CB -1.807 17.188 19.000 -0.009 0.000 1.067 213 A HN 0.515 nan 8.150 nan 0.000 0.815 214 R N 0.368 120.863 120.500 -0.007 0.000 2.541 214 R HA 0.472 4.812 4.340 -0.000 0.000 0.263 214 R C 0.404 176.701 176.300 -0.006 0.000 1.112 214 R CA 0.010 56.106 56.100 -0.006 0.000 1.170 214 R CB 0.246 30.542 30.300 -0.005 0.000 1.167 214 R HN 0.492 nan 8.270 nan 0.000 0.582 215 K N 3.185 123.582 120.400 -0.005 0.000 2.602 215 K HA 0.260 4.580 4.320 -0.000 0.000 0.201 215 K C -0.550 176.048 176.600 -0.003 0.000 1.070 215 K CA -0.515 55.770 56.287 -0.004 0.000 1.026 215 K CB -0.007 32.491 32.500 -0.003 0.000 1.534 215 K HN 0.420 nan 8.250 nan 0.000 0.560 216 L N -1.077 120.144 121.223 -0.003 0.000 2.322 216 L HA 0.543 4.883 4.340 -0.000 0.000 0.279 216 L C -0.173 176.697 176.870 -0.001 0.000 1.036 216 L CA -1.358 53.480 54.840 -0.002 0.000 0.807 216 L CB 0.808 42.864 42.059 -0.003 0.000 1.226 216 L HN -0.009 nan 8.230 nan 0.000 0.433 217 K N 2.119 122.518 120.400 -0.000 0.000 2.606 217 K HA -0.051 4.269 4.320 -0.000 0.000 0.279 217 K C 0.986 177.587 176.600 0.002 0.000 0.961 217 K CA 0.434 56.722 56.287 0.001 0.000 1.002 217 K CB 0.820 33.320 32.500 0.000 0.000 0.871 217 K HN 0.748 nan 8.250 nan 0.000 0.508 218 I N 1.960 122.533 120.570 0.005 0.000 2.353 218 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 218 I C 2.293 178.412 176.117 0.003 0.000 1.119 218 I CA 1.267 62.571 61.300 0.007 0.000 1.417 218 I CB -0.146 37.864 38.000 0.016 0.000 1.078 218 I HN 0.632 nan 8.210 nan 0.000 0.421 219 K N 0.489 120.890 120.400 0.001 0.000 2.113 219 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 219 K C 1.109 177.706 176.600 -0.004 0.000 1.047 219 K CA 2.040 58.325 56.287 -0.002 0.000 0.928 219 K CB -0.366 32.133 32.500 -0.003 0.000 0.716 219 K HN 0.255 nan 8.250 nan 0.000 0.446 220 D N 1.252 121.650 120.400 -0.003 0.000 2.144 220 D HA 0.050 4.690 4.640 -0.000 0.000 0.207 220 D C 2.100 178.396 176.300 -0.005 0.000 0.970 220 D CA 1.418 55.416 54.000 -0.004 0.000 0.853 220 D CB -0.271 40.527 40.800 -0.004 0.000 1.007 220 D HN 0.294 nan 8.370 nan 0.000 0.469 221 A N 0.986 123.803 122.820 -0.004 0.000 1.884 221 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 221 A C 2.130 179.710 177.584 -0.008 0.000 1.197 221 A CA 2.380 54.413 52.037 -0.006 0.000 0.637 221 A CB -0.830 18.167 19.000 -0.005 0.000 0.827 221 A HN 0.198 nan 8.150 nan 0.000 0.450 222 M N -0.098 119.498 119.600 -0.007 0.000 2.089 222 M HA -0.224 4.256 4.480 -0.000 0.000 0.257 222 M C 1.827 178.120 176.300 -0.012 0.000 1.071 222 M CA 2.207 57.501 55.300 -0.010 0.000 1.096 222 M CB -0.578 32.016 32.600 -0.009 0.000 1.330 222 M HN 0.464 nan 8.290 nan 0.000 0.403 223 K N -0.680 119.714 120.400 -0.010 0.000 1.973 223 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 223 K C 1.903 178.497 176.600 -0.009 0.000 1.047 223 K CA 1.457 57.737 56.287 -0.010 0.000 0.937 223 K CB -0.630 31.865 32.500 -0.009 0.000 0.721 223 K HN 0.253 nan 8.250 nan 0.000 0.440 224 L N 1.204 122.422 121.223 -0.008 0.000 2.051 224 L HA -0.249 4.090 4.340 -0.000 0.000 0.214 224 L C 2.385 179.250 176.870 -0.008 0.000 1.076 224 L CA 1.575 56.410 54.840 -0.007 0.000 0.758 224 L CB -1.090 40.965 42.059 -0.007 0.000 0.890 224 L HN 0.316 nan 8.230 nan 0.000 0.433 225 L N -0.459 120.759 121.223 -0.010 0.000 2.042 225 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 225 L C 2.666 179.529 176.870 -0.010 0.000 1.076 225 L CA 1.529 56.362 54.840 -0.010 0.000 0.749 225 L CB -0.913 41.138 42.059 -0.012 0.000 0.893 225 L HN 0.215 nan 8.230 nan 0.000 0.432 226 I N -0.076 120.488 120.570 -0.012 0.000 2.185 226 I HA -0.335 3.835 4.170 -0.000 0.000 0.246 226 I C 2.480 178.593 176.117 -0.007 0.000 1.088 226 I CA 1.407 62.700 61.300 -0.012 0.000 1.347 226 I CB -1.055 36.937 38.000 -0.013 0.000 1.041 226 I HN 0.461 nan 8.210 nan 0.000 0.415 227 E N 1.538 121.734 120.200 -0.006 0.000 1.998 227 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 227 E C 1.998 178.596 176.600 -0.004 0.000 0.994 227 E CA 1.398 57.795 56.400 -0.004 0.000 0.835 227 E CB -0.130 29.567 29.700 -0.005 0.000 0.786 227 E HN 0.482 nan 8.360 nan 0.000 0.467 228 E N 0.246 120.443 120.200 -0.005 0.000 2.113 228 E HA -0.319 4.031 4.350 -0.000 0.000 0.210 228 E C 2.175 178.773 176.600 -0.004 0.000 1.040 228 E CA 1.827 58.224 56.400 -0.005 0.000 0.847 228 E CB -0.244 29.452 29.700 -0.007 0.000 0.755 228 E HN 0.255 nan 8.360 nan 0.000 0.459 229 E N 0.499 120.697 120.200 -0.004 0.000 2.106 229 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 229 E C 1.844 178.446 176.600 0.003 0.000 0.984 229 E CA 1.257 57.656 56.400 -0.001 0.000 0.806 229 E CB -0.238 29.461 29.700 -0.002 0.000 0.750 229 E HN 0.294 nan 8.360 nan 0.000 0.458 230 A N 0.850 123.672 122.820 0.003 0.000 1.858 230 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 230 A C 2.450 180.037 177.584 0.006 0.000 1.190 230 A CA 2.162 54.203 52.037 0.007 0.000 0.617 230 A CB -1.162 17.842 19.000 0.006 0.000 0.827 230 A HN 0.356 nan 8.150 nan 0.000 0.443 231 A N -0.156 122.665 122.820 0.002 0.000 1.851 231 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 231 A C 2.108 179.692 177.584 0.001 0.000 1.195 231 A CA 2.148 54.186 52.037 0.001 0.000 0.622 231 A CB -0.633 18.366 19.000 -0.002 0.000 0.831 231 A HN 0.511 nan 8.150 nan 0.000 0.444 232 K N -1.016 119.384 120.400 0.000 0.000 2.442 232 K HA -0.122 4.198 4.320 -0.000 0.000 0.200 232 K C 1.323 177.924 176.600 0.002 0.000 1.045 232 K CA 1.104 57.391 56.287 -0.000 0.000 0.937 232 K CB -0.197 32.303 32.500 -0.001 0.000 0.757 232 K HN 0.375 nan 8.250 nan 0.000 0.474 233 L N 0.254 121.480 121.223 0.005 0.000 2.585 233 L HA 0.162 4.502 4.340 -0.000 0.000 0.226 233 L C -0.492 176.383 176.870 0.008 0.000 1.113 233 L CA 0.366 55.210 54.840 0.008 0.000 0.876 233 L CB 0.924 42.990 42.059 0.013 0.000 1.072 233 L HN -0.236 nan 8.230 nan 0.000 0.468 234 V N 1.761 121.679 119.914 0.006 0.000 2.370 234 V HA 0.289 4.409 4.120 -0.000 0.000 0.279 234 V C 0.128 176.224 176.094 0.003 0.000 1.029 234 V CA -0.767 61.536 62.300 0.005 0.000 0.870 234 V CB 1.059 32.884 31.823 0.005 0.000 0.984 234 V HN 0.231 nan 8.190 nan 0.000 0.451 235 N N 8.485 127.188 118.700 0.004 0.000 2.421 235 N HA 0.138 4.878 4.740 -0.000 0.000 0.260 235 N C -0.963 174.548 175.510 0.001 0.000 1.173 235 N CA -1.671 51.380 53.050 0.003 0.000 0.960 235 N CB 1.464 39.955 38.487 0.006 0.000 1.273 235 N HN 0.364 nan 8.380 nan 0.000 0.497 236 P HA -0.169 nan 4.420 nan 0.000 0.216 236 P C 0.870 178.164 177.300 -0.009 0.000 1.150 236 P CA 1.102 64.197 63.100 -0.009 0.000 0.837 236 P CB 0.620 32.313 31.700 -0.012 0.000 0.786 237 E N 0.648 120.846 120.200 -0.004 0.000 2.028 237 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 237 E C 1.928 178.532 176.600 0.005 0.000 0.984 237 E CA 1.311 57.710 56.400 -0.001 0.000 0.800 237 E CB -0.708 28.993 29.700 0.002 0.000 0.758 237 E HN 0.026 nan 8.360 nan 0.000 0.448 238 E N -0.009 120.196 120.200 0.009 0.000 2.338 238 E HA -0.072 4.278 4.350 -0.000 0.000 0.197 238 E C 1.725 178.336 176.600 0.019 0.000 1.007 238 E CA 0.290 56.700 56.400 0.016 0.000 0.849 238 E CB -0.287 29.422 29.700 0.016 0.000 0.774 238 E HN 0.251 nan 8.360 nan 0.000 0.506 239 L N 1.370 122.600 121.223 0.012 0.000 1.937 239 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 239 L C 2.169 179.051 176.870 0.020 0.000 1.077 239 L CA 1.955 56.803 54.840 0.014 0.000 0.758 239 L CB -0.528 41.532 42.059 0.002 0.000 0.888 239 L HN -0.008 nan 8.230 nan 0.000 0.433 240 K N -0.404 119.999 120.400 0.005 0.000 2.147 240 K HA -0.248 4.072 4.320 -0.000 0.000 0.205 240 K C 1.949 178.576 176.600 0.043 0.000 1.049 240 K CA 1.798 58.093 56.287 0.014 0.000 0.936 240 K CB -0.534 31.944 32.500 -0.035 0.000 0.722 240 K HN 0.623 nan 8.250 nan 0.000 0.446 241 Q N 0.534 120.354 119.800 0.033 0.000 2.369 241 Q HA -0.114 4.226 4.340 -0.000 0.000 0.206 241 Q C 0.618 176.644 176.000 0.044 0.000 0.963 241 Q CA 1.210 57.036 55.803 0.038 0.000 0.894 241 Q CB 0.139 28.894 28.738 0.028 0.000 0.965 241 Q HN 0.320 nan 8.270 nan 0.000 0.475 242 D N 0.078 120.507 120.400 0.048 0.000 2.183 242 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 242 D C 1.658 177.999 176.300 0.068 0.000 0.962 242 D CA 1.122 55.157 54.000 0.059 0.000 0.849 242 D CB -0.056 40.779 40.800 0.058 0.000 0.978 242 D HN 0.309 nan 8.370 nan 0.000 0.488 243 A N 0.717 123.579 122.820 0.071 0.000 1.908 243 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 243 A C 2.150 179.772 177.584 0.064 0.000 1.181 243 A CA 1.013 53.097 52.037 0.079 0.000 0.627 243 A CB -0.603 18.460 19.000 0.106 0.000 0.818 243 A HN 0.122 nan 8.150 nan 0.000 0.445 244 I N 0.887 121.492 120.570 0.060 0.000 2.163 244 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 244 I C 1.774 177.904 176.117 0.021 0.000 1.085 244 I CA 1.777 63.100 61.300 0.039 0.000 1.347 244 I CB -0.525 37.499 38.000 0.040 0.000 1.044 244 I HN 0.305 nan 8.210 nan 0.000 0.408 245 D N 0.542 120.959 120.400 0.029 0.000 2.149 245 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 245 D C 2.235 178.533 176.300 -0.003 0.000 0.990 245 D CA 1.585 55.593 54.000 0.013 0.000 0.839 245 D CB -0.380 40.448 40.800 0.047 0.000 0.948 245 D HN 0.408 nan 8.370 nan 0.000 0.460 246 A N 0.810 123.662 122.820 0.054 0.000 1.841 246 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 246 A C 2.596 180.193 177.584 0.023 0.000 1.195 246 A CA 1.218 53.317 52.037 0.103 0.000 0.611 246 A CB -0.909 18.163 19.000 0.120 0.000 0.835 246 A HN 0.121 nan 8.150 nan 0.000 0.443 247 V N 0.666 120.587 119.914 0.012 0.000 2.282 247 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 247 V C 2.484 178.550 176.094 -0.047 0.000 1.057 247 V CA 2.432 64.723 62.300 -0.015 0.000 1.032 247 V CB -0.871 30.946 31.823 -0.011 0.000 0.645 247 V HN 0.628 nan 8.190 nan 0.000 0.447 248 E N -0.851 119.319 120.200 -0.050 0.000 2.152 248 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 248 E C 2.262 178.795 176.600 -0.112 0.000 0.983 248 E CA 0.872 57.243 56.400 -0.049 0.000 0.818 248 E CB -0.071 29.611 29.700 -0.030 0.000 0.758 248 E HN 0.565 nan 8.360 nan 0.000 0.467 249 Q N -0.536 119.103 119.800 -0.268 0.000 2.297 249 Q HA 0.014 4.354 4.340 -0.000 0.000 0.203 249 Q C 1.121 176.677 176.000 -0.740 0.000 0.931 249 Q CA 0.921 56.378 55.803 -0.577 0.000 0.885 249 Q CB 0.533 28.745 28.738 -0.877 0.000 0.991 249 Q HN 0.491 nan 8.270 nan 0.000 0.498 250 H N -1.420 117.606 119.070 -0.074 0.000 3.052 250 H HA 0.302 4.858 4.556 -0.000 0.000 0.257 250 H C 0.459 175.763 175.328 -0.039 0.000 1.193 250 H CA 0.091 56.100 56.048 -0.065 0.000 1.072 250 H CB 0.333 30.035 29.762 -0.100 0.000 1.685 250 H HN 0.040 nan 8.280 nan 0.000 0.630 251 G N 1.579 110.375 108.800 -0.007 0.000 2.484 251 G HA2 0.304 4.264 3.960 -0.000 0.000 0.235 251 G HA3 0.304 4.264 3.960 -0.000 0.000 0.235 251 G C -0.087 174.761 174.900 -0.086 0.000 1.282 251 G CA -0.059 45.011 45.100 -0.049 0.000 0.857 251 G HN 0.291 nan 8.290 nan 0.000 0.571 252 I N 1.746 122.264 120.570 -0.087 0.000 2.531 252 I HA 0.152 4.322 4.170 -0.000 0.000 0.283 252 I C -0.594 175.371 176.117 -0.253 0.000 1.083 252 I CA -0.657 60.595 61.300 -0.080 0.000 1.071 252 I CB 2.274 40.393 38.000 0.198 0.000 1.210 252 I HN 0.109 nan 8.210 nan 0.000 0.450 253 V N 6.515 126.181 119.914 -0.414 0.000 2.370 253 V HA 0.301 4.421 4.120 -0.000 0.000 0.279 253 V C -0.583 175.448 176.094 -0.105 0.000 1.029 253 V CA -0.511 61.570 62.300 -0.365 0.000 0.870 253 V CB 1.660 33.197 31.823 -0.476 0.000 0.984 253 V HN 0.458 nan 8.190 nan 0.000 0.451 254 F N 6.777 126.549 119.950 -0.297 0.000 2.308 254 F HA 0.580 5.107 4.527 -0.000 0.000 0.370 254 F C 0.105 175.912 175.800 0.011 0.000 1.100 254 F CA -0.713 57.246 58.000 -0.069 0.000 1.108 254 F CB 0.640 39.636 39.000 -0.006 0.000 1.293 254 F HN 0.386 nan 8.300 nan 0.000 0.478 255 I N 5.357 125.831 120.570 -0.160 0.000 2.329 255 I HA 0.095 4.265 4.170 -0.000 0.000 0.295 255 I C 0.084 176.031 176.117 -0.284 0.000 1.109 255 I CA -0.192 61.052 61.300 -0.094 0.000 1.297 255 I CB -0.015 37.971 38.000 -0.023 0.000 1.433 255 I HN 0.473 nan 8.210 nan 0.000 0.509 256 D N 6.398 126.753 120.400 -0.075 0.000 2.339 256 D HA 0.004 4.644 4.640 -0.000 0.000 0.245 256 D C 0.689 176.978 176.300 -0.018 0.000 1.115 256 D CA 0.056 54.056 54.000 0.001 0.000 0.917 256 D CB 0.667 41.624 40.800 0.261 0.000 1.192 256 D HN 0.684 nan 8.370 nan 0.000 0.428 257 E N 1.726 121.906 120.200 -0.033 0.000 2.269 257 E HA -0.301 4.049 4.350 -0.000 0.000 0.223 257 E C 0.337 176.870 176.600 -0.111 0.000 1.244 257 E CA 0.211 56.562 56.400 -0.081 0.000 0.713 257 E CB -1.812 27.856 29.700 -0.053 0.000 1.178 257 E HN 0.656 nan 8.360 nan 0.000 0.370 258 I N 1.108 121.616 120.570 -0.103 0.000 2.614 258 I HA -0.234 3.936 4.170 -0.000 0.000 0.258 258 I C 1.938 177.970 176.117 -0.140 0.000 1.189 258 I CA 1.809 63.069 61.300 -0.066 0.000 1.462 258 I CB -0.118 37.882 38.000 0.001 0.000 1.092 258 I HN 0.422 nan 8.210 nan 0.000 0.442 259 D N 0.712 120.867 120.400 -0.409 0.000 2.310 259 D HA -0.227 4.413 4.640 -0.000 0.000 0.212 259 D C 1.369 177.456 176.300 -0.355 0.000 0.965 259 D CA 0.875 54.439 54.000 -0.727 0.000 0.879 259 D CB -0.417 39.307 40.800 -1.793 0.000 0.921 259 D HN 0.351 nan 8.370 nan 0.000 0.510 260 K N 0.440 120.702 120.400 -0.230 0.000 2.476 260 K HA 0.170 4.490 4.320 -0.000 0.000 0.196 260 K C 1.185 177.735 176.600 -0.085 0.000 1.025 260 K CA 0.079 56.282 56.287 -0.139 0.000 1.138 260 K CB 0.156 32.592 32.500 -0.108 0.000 0.860 260 K HN 0.432 nan 8.250 nan 0.000 0.515 261 I N -3.758 116.769 120.570 -0.072 0.000 3.817 261 I HA 0.246 4.416 4.170 -0.000 0.000 0.325 261 I C -0.042 176.061 176.117 -0.023 0.000 1.550 261 I CA -0.705 60.574 61.300 -0.036 0.000 1.100 261 I CB 0.192 38.184 38.000 -0.013 0.000 1.216 261 I HN -0.187 nan 8.210 nan 0.000 0.481 262 C N 2.318 121.602 119.300 -0.027 0.000 2.351 262 C HA 0.442 4.902 4.460 -0.000 0.000 0.359 262 C C 0.626 175.615 174.990 -0.002 0.000 1.193 262 C CA -0.642 58.380 59.018 0.006 0.000 2.270 262 C CB 1.430 29.197 27.740 0.045 0.000 2.369 262 C HN 0.498 nan 8.230 nan 0.000 0.553 263 K N 1.570 121.975 120.400 0.008 0.000 2.401 263 K HA 0.493 4.813 4.320 -0.000 0.000 0.278 263 K C -0.454 176.149 176.600 0.004 0.000 1.018 263 K CA -0.078 56.211 56.287 0.003 0.000 0.981 263 K CB 0.648 33.151 32.500 0.006 0.000 0.933 263 K HN 0.527 nan 8.250 nan 0.000 0.477 264 R N 1.122 121.621 120.500 -0.002 0.000 2.807 264 R HA 0.313 4.653 4.340 -0.000 0.000 0.276 264 R C -0.144 176.155 176.300 -0.001 0.000 0.979 264 R CA -0.395 55.704 56.100 -0.002 0.000 0.928 264 R CB 1.838 32.131 30.300 -0.011 0.000 1.191 264 R HN 0.877 nan 8.270 nan 0.000 0.471 265 G N 2.511 111.312 108.800 0.002 0.000 3.581 265 G HA2 0.014 3.974 3.960 -0.000 0.000 0.255 265 G HA3 0.014 3.974 3.960 -0.000 0.000 0.255 265 G C 0.298 175.198 174.900 0.000 0.000 1.121 265 G CA -0.027 45.074 45.100 0.002 0.000 1.739 265 G HN 0.659 nan 8.290 nan 0.000 0.646 266 E N -0.904 119.295 120.200 -0.002 0.000 2.332 266 E HA 0.129 4.479 4.350 -0.000 0.000 0.202 266 E C 0.618 177.217 176.600 -0.002 0.000 0.877 266 E CA 0.580 56.978 56.400 -0.003 0.000 0.979 266 E CB 0.504 30.200 29.700 -0.007 0.000 0.969 266 E HN 0.228 nan 8.360 nan 0.000 0.495 267 S N -1.641 114.058 115.700 -0.001 0.000 3.211 267 S HA 0.478 4.948 4.470 -0.000 0.000 0.320 267 S C -0.094 174.507 174.600 0.002 0.000 1.225 267 S CA 0.253 58.453 58.200 0.001 0.000 1.044 267 S CB 0.853 64.054 63.200 0.002 0.000 1.410 267 S HN 0.113 nan 8.310 nan 0.000 0.640 268 S N -1.291 114.412 115.700 0.004 0.000 3.330 268 S HA 0.272 4.742 4.470 -0.000 0.000 0.259 268 S C 1.745 176.349 174.600 0.007 0.000 1.095 268 S CA 1.217 59.420 58.200 0.005 0.000 0.841 268 S CB -0.810 62.394 63.200 0.007 0.000 0.890 268 S HN 0.989 nan 8.310 nan 0.000 0.446 269 G N 3.533 112.341 108.800 0.014 0.000 2.529 269 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 269 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 269 G C -0.201 174.706 174.900 0.012 0.000 1.177 269 G CA 1.526 46.639 45.100 0.023 0.000 0.773 269 G HN 0.587 nan 8.290 nan 0.000 0.573 270 P HA -0.083 nan 4.420 nan 0.000 0.215 270 P C 0.926 178.214 177.300 -0.020 0.000 1.157 270 P CA 1.548 64.635 63.100 -0.022 0.000 0.863 270 P CB -0.134 31.550 31.700 -0.026 0.000 0.787 271 D N -0.018 120.375 120.400 -0.012 0.000 2.170 271 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 271 D C 2.126 178.420 176.300 -0.009 0.000 1.004 271 D CA 1.123 55.117 54.000 -0.010 0.000 0.860 271 D CB -0.833 39.964 40.800 -0.005 0.000 0.931 271 D HN 0.043 nan 8.370 nan 0.000 0.448 272 V N 1.350 121.262 119.914 -0.004 0.000 2.295 272 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 272 V C 2.735 178.825 176.094 -0.007 0.000 1.049 272 V CA 2.165 64.464 62.300 -0.002 0.000 1.024 272 V CB -0.603 31.224 31.823 0.008 0.000 0.648 272 V HN 0.306 nan 8.190 nan 0.000 0.447 273 S N 0.193 115.885 115.700 -0.014 0.000 2.355 273 S HA -0.222 4.248 4.470 -0.000 0.000 0.222 273 S C 2.045 176.631 174.600 -0.023 0.000 1.031 273 S CA 1.266 59.451 58.200 -0.025 0.000 0.993 273 S CB -0.510 62.653 63.200 -0.061 0.000 0.859 273 S HN 0.526 nan 8.310 nan 0.000 0.453 274 R N 1.321 121.806 120.500 -0.026 0.000 2.097 274 R HA -0.073 4.267 4.340 -0.000 0.000 0.236 274 R C 2.683 178.973 176.300 -0.016 0.000 1.135 274 R CA 1.926 58.013 56.100 -0.021 0.000 0.934 274 R CB -0.434 29.851 30.300 -0.024 0.000 0.846 274 R HN 0.568 nan 8.270 nan 0.000 0.431 275 E N -0.479 119.711 120.200 -0.016 0.000 2.153 275 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 275 E C 2.069 178.655 176.600 -0.023 0.000 0.988 275 E CA 1.142 57.532 56.400 -0.017 0.000 0.811 275 E CB -0.171 29.521 29.700 -0.013 0.000 0.746 275 E HN 0.532 nan 8.360 nan 0.000 0.466 276 G N 1.201 109.989 108.800 -0.019 0.000 2.446 276 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 276 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 276 G C 1.750 176.630 174.900 -0.035 0.000 1.168 276 G CA 0.951 46.037 45.100 -0.022 0.000 0.771 276 G HN 0.165 nan 8.290 nan 0.000 0.551 277 V N 0.521 120.420 119.914 -0.025 0.000 2.469 277 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 277 V C 2.865 178.912 176.094 -0.078 0.000 1.064 277 V CA 2.183 64.459 62.300 -0.039 0.000 1.066 277 V CB -0.536 31.301 31.823 0.023 0.000 0.667 277 V HN 0.457 nan 8.190 nan 0.000 0.461 278 Q N -0.693 119.072 119.800 -0.058 0.000 2.079 278 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 278 Q C 2.595 178.542 176.000 -0.088 0.000 0.974 278 Q CA 1.049 56.809 55.803 -0.071 0.000 0.840 278 Q CB -0.161 28.549 28.738 -0.046 0.000 0.898 278 Q HN 0.512 nan 8.270 nan 0.000 0.430 279 R N 0.849 121.306 120.500 -0.072 0.000 2.092 279 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 279 R C 1.586 177.830 176.300 -0.093 0.000 1.119 279 R CA 1.052 57.108 56.100 -0.072 0.000 0.970 279 R CB -0.410 29.859 30.300 -0.051 0.000 0.864 279 R HN 0.370 nan 8.270 nan 0.000 0.440 280 D N 0.671 121.008 120.400 -0.104 0.000 2.117 280 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 280 D C 1.908 178.099 176.300 -0.182 0.000 0.987 280 D CA 0.908 54.828 54.000 -0.133 0.000 0.829 280 D CB 0.029 40.742 40.800 -0.145 0.000 0.961 280 D HN 0.055 nan 8.370 nan 0.000 0.460 281 L N 0.540 121.639 121.223 -0.206 0.000 2.313 281 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 281 L C 2.117 178.847 176.870 -0.234 0.000 1.119 281 L CA 0.378 55.070 54.840 -0.246 0.000 0.809 281 L CB -0.289 41.623 42.059 -0.245 0.000 0.933 281 L HN -0.011 nan 8.230 nan 0.000 0.449 282 L N 1.115 122.230 121.223 -0.180 0.000 1.978 282 L HA -0.193 4.147 4.340 -0.000 0.000 0.218 282 L C -0.432 176.341 176.870 -0.162 0.000 1.075 282 L CA 2.468 57.210 54.840 -0.163 0.000 0.767 282 L CB -1.701 40.289 42.059 -0.115 0.000 0.890 282 L HN 0.214 nan 8.230 nan 0.000 0.434 283 P HA -0.198 nan 4.420 nan 0.000 0.216 283 P C 2.167 179.397 177.300 -0.115 0.000 1.150 283 P CA 1.677 64.713 63.100 -0.106 0.000 0.837 283 P CB -0.137 31.515 31.700 -0.081 0.000 0.786 284 L N -0.131 121.006 121.223 -0.144 0.000 2.042 284 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 284 L C 2.640 179.394 176.870 -0.192 0.000 1.076 284 L CA 1.966 56.739 54.840 -0.112 0.000 0.749 284 L CB -1.292 40.699 42.059 -0.113 0.000 0.893 284 L HN -0.037 nan 8.230 nan 0.000 0.432 285 V N -4.165 115.489 119.914 -0.433 0.000 3.406 285 V HA -0.010 4.110 4.120 -0.000 0.000 0.263 285 V C 1.869 177.842 176.094 -0.202 0.000 1.172 285 V CA 0.897 62.903 62.300 -0.489 0.000 1.140 285 V CB 0.018 31.426 31.823 -0.693 0.000 0.784 285 V HN 0.392 nan 8.190 nan 0.000 0.467 286 E N 1.196 121.302 120.200 -0.156 0.000 2.340 286 E HA 0.396 4.745 4.350 -0.000 0.000 0.194 286 E C 0.989 177.542 176.600 -0.079 0.000 0.996 286 E CA 0.685 57.023 56.400 -0.103 0.000 0.869 286 E CB 0.438 30.082 29.700 -0.093 0.000 0.835 286 E HN 0.828 nan 8.360 nan 0.000 0.493 287 G N 0.547 109.305 108.800 -0.070 0.000 3.393 287 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.676 287 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.676 287 G C -0.492 174.384 174.900 -0.040 0.000 1.224 287 G CA -0.577 44.489 45.100 -0.056 0.000 1.109 287 G HN 0.409 nan 8.290 nan 0.000 0.519 288 C N -0.251 119.034 119.300 -0.025 0.000 3.276 288 C HA 0.957 5.417 4.460 -0.000 0.000 0.370 288 C C 0.054 175.040 174.990 -0.006 0.000 1.624 288 C CA -0.176 58.830 59.018 -0.019 0.000 1.179 288 C CB 1.585 29.308 27.740 -0.028 0.000 1.909 288 C HN 1.295 nan 8.230 nan 0.000 0.434 289 T N 1.396 115.947 114.554 -0.006 0.000 2.809 289 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 289 T C -0.617 174.081 174.700 -0.003 0.000 0.992 289 T CA -0.196 61.904 62.100 0.000 0.000 0.957 289 T CB 1.351 70.221 68.868 0.004 0.000 0.942 289 T HN 0.753 nan 8.240 nan 0.000 0.439 290 V N 2.606 122.519 119.914 -0.001 0.000 2.667 290 V HA 0.518 4.638 4.120 -0.000 0.000 0.308 290 V C 0.154 176.246 176.094 -0.003 0.000 1.048 290 V CA -0.764 61.533 62.300 -0.005 0.000 0.928 290 V CB 2.249 34.068 31.823 -0.007 0.000 1.004 290 V HN 0.900 nan 8.190 nan 0.000 0.444 291 S N 2.266 117.964 115.700 -0.004 0.000 2.422 291 S HA 0.516 4.986 4.470 -0.000 0.000 0.298 291 S C 0.009 174.604 174.600 -0.008 0.000 1.118 291 S CA -0.363 57.837 58.200 0.000 0.000 1.083 291 S CB 0.913 64.115 63.200 0.005 0.000 0.971 291 S HN 0.834 nan 8.310 nan 0.000 0.478 292 T N 2.572 117.120 114.554 -0.011 0.000 2.918 292 T HA 0.264 4.614 4.350 -0.000 0.000 0.286 292 T C 1.174 175.877 174.700 0.005 0.000 1.026 292 T CA -0.980 61.094 62.100 -0.043 0.000 1.031 292 T CB 1.253 70.069 68.868 -0.086 0.000 1.046 292 T HN 0.630 nan 8.240 nan 0.000 0.479 293 K N 0.920 121.326 120.400 0.009 0.000 2.611 293 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 293 K C 0.454 177.269 176.600 0.357 0.000 1.026 293 K CA 1.065 57.438 56.287 0.143 0.000 1.063 293 K CB -0.242 32.349 32.500 0.151 0.000 0.839 293 K HN 0.751 nan 8.250 nan 0.000 0.505 294 H N -0.613 118.465 119.070 0.012 0.000 3.233 294 H HA 0.259 4.815 4.556 -0.000 0.000 0.263 294 H C 0.272 175.607 175.328 0.012 0.000 1.168 294 H CA -0.573 55.483 56.048 0.013 0.000 1.159 294 H CB 1.456 31.227 29.762 0.014 0.000 1.593 294 H HN 0.424 nan 8.280 nan 0.000 0.580 295 G N 1.133 110.006 108.800 0.122 0.000 2.339 295 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.381 295 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.381 295 G C -1.383 173.540 174.900 0.039 0.000 1.400 295 G CA -1.141 44.000 45.100 0.069 0.000 1.002 295 G HN 0.011 nan 8.290 nan 0.000 0.633 296 M N 1.154 120.772 119.600 0.030 0.000 2.266 296 M HA 0.507 4.987 4.480 -0.000 0.000 0.340 296 M C 0.094 176.404 176.300 0.017 0.000 1.486 296 M CA -0.034 55.277 55.300 0.019 0.000 1.209 296 M CB 0.632 33.243 32.600 0.018 0.000 1.714 296 M HN 0.431 nan 8.290 nan 0.000 0.459 297 V N 5.233 125.153 119.914 0.010 0.000 2.472 297 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 297 V C 0.014 176.114 176.094 0.010 0.000 1.037 297 V CA -0.885 61.420 62.300 0.008 0.000 0.908 297 V CB 1.756 33.579 31.823 0.000 0.000 0.985 297 V HN 0.616 nan 8.190 nan 0.000 0.454 298 K N 1.715 122.123 120.400 0.014 0.000 2.159 298 K HA 0.387 4.707 4.320 -0.000 0.000 0.266 298 K C 0.939 177.551 176.600 0.021 0.000 0.975 298 K CA -0.134 56.163 56.287 0.018 0.000 0.865 298 K CB 1.480 33.996 32.500 0.026 0.000 1.087 298 K HN 0.877 nan 8.250 nan 0.000 0.446 299 T N -0.795 113.773 114.554 0.023 0.000 3.081 299 T HA 0.018 4.368 4.350 -0.000 0.000 0.250 299 T C 0.629 175.344 174.700 0.025 0.000 1.100 299 T CA 0.356 62.486 62.100 0.050 0.000 1.038 299 T CB -0.054 68.876 68.868 0.103 0.000 0.962 299 T HN 0.555 nan 8.240 nan 0.000 0.516 300 D N 1.574 121.942 120.400 -0.053 0.000 2.292 300 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 300 D C 1.372 177.382 176.300 -0.484 0.000 0.994 300 D CA 1.204 55.063 54.000 -0.235 0.000 0.897 300 D CB -0.124 40.508 40.800 -0.279 0.000 0.907 300 D HN 0.600 nan 8.370 nan 0.000 0.467 301 H N -1.479 117.597 119.070 0.009 0.000 2.923 301 H HA 0.224 4.780 4.556 -0.000 0.000 0.268 301 H C 0.107 175.417 175.328 -0.029 0.000 1.148 301 H CA -0.547 55.493 56.048 -0.013 0.000 1.146 301 H CB 0.522 30.247 29.762 -0.061 0.000 1.607 301 H HN 0.072 nan 8.280 nan 0.000 0.566 302 I N 1.876 122.461 120.570 0.026 0.000 2.754 302 I HA -0.088 4.081 4.170 -0.000 0.000 0.285 302 I C 0.341 176.382 176.117 -0.126 0.000 1.166 302 I CA -0.119 61.111 61.300 -0.117 0.000 1.417 302 I CB 0.462 38.286 38.000 -0.293 0.000 1.382 302 I HN 0.009 nan 8.210 nan 0.000 0.588 303 L N 6.906 128.022 121.223 -0.179 0.000 2.289 303 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 303 L C -1.206 175.526 176.870 -0.230 0.000 1.049 303 L CA 0.265 55.067 54.840 -0.065 0.000 0.804 303 L CB 0.269 42.342 42.059 0.023 0.000 1.195 303 L HN 0.256 nan 8.230 nan 0.000 0.428 304 F N 5.736 125.707 119.950 0.035 0.000 2.436 304 F HA 0.546 5.073 4.527 -0.000 0.000 0.340 304 F C 0.026 175.845 175.800 0.032 0.000 1.113 304 F CA -0.386 57.626 58.000 0.019 0.000 1.022 304 F CB 1.422 40.411 39.000 -0.019 0.000 1.128 304 F HN 0.263 nan 8.300 nan 0.000 0.466 305 I N 3.743 124.429 120.570 0.192 0.000 2.390 305 I HA 0.473 4.642 4.170 -0.000 0.000 0.283 305 I C -0.233 175.821 176.117 -0.106 0.000 1.016 305 I CA -0.650 60.727 61.300 0.128 0.000 1.151 305 I CB 1.167 39.347 38.000 0.301 0.000 1.293 305 I HN 0.638 nan 8.210 nan 0.000 0.458 306 A N 4.533 127.301 122.820 -0.086 0.000 2.293 306 A HA 0.738 5.058 4.320 -0.000 0.000 0.302 306 A C -0.135 177.312 177.584 -0.228 0.000 1.119 306 A CA -0.323 51.608 52.037 -0.176 0.000 0.823 306 A CB 1.316 20.295 19.000 -0.035 0.000 1.097 306 A HN 0.594 nan 8.150 nan 0.000 0.491 307 S N 0.054 115.579 115.700 -0.291 0.000 2.536 307 S HA 0.805 5.274 4.470 -0.000 0.000 0.287 307 S C -0.308 174.307 174.600 0.026 0.000 1.101 307 S CA 0.174 58.300 58.200 -0.124 0.000 0.950 307 S CB 1.449 64.506 63.200 -0.238 0.000 1.056 307 S HN 1.892 nan 8.310 nan 0.000 0.481 308 G N 1.019 109.922 108.800 0.172 0.000 2.677 308 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 308 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 308 G C 0.180 175.153 174.900 0.122 0.000 1.435 308 G CA -0.062 45.041 45.100 0.006 0.000 0.826 308 G HN 1.013 nan 8.290 nan 0.000 0.491 309 A N -0.174 122.594 122.820 -0.085 0.000 1.924 309 A HA 0.556 4.876 4.320 -0.000 0.000 0.211 309 A C 0.867 178.539 177.584 0.146 0.000 1.198 309 A CA 0.608 52.669 52.037 0.040 0.000 0.657 309 A CB -0.519 18.466 19.000 -0.026 0.000 0.852 309 A HN 1.393 nan 8.150 nan 0.000 0.454 310 F N -1.117 118.836 119.950 0.006 0.000 2.905 310 F HA -0.218 4.309 4.527 -0.000 0.000 0.291 310 F C 1.173 176.974 175.800 0.003 0.000 1.002 310 F CA 0.884 58.886 58.000 0.002 0.000 0.978 310 F CB -1.668 37.333 39.000 0.002 0.000 1.036 310 F HN 0.314 nan 8.300 nan 0.000 0.820 311 Q N 0.634 120.471 119.800 0.063 0.000 2.324 311 Q HA 0.116 4.456 4.340 -0.000 0.000 0.207 311 Q C 2.228 178.250 176.000 0.037 0.000 0.928 311 Q CA 1.365 57.197 55.803 0.049 0.000 0.890 311 Q CB 0.177 28.924 28.738 0.016 0.000 1.001 311 Q HN 0.620 nan 8.270 nan 0.000 0.517 312 I N -1.852 118.723 120.570 0.009 0.000 2.368 312 I HA 0.308 4.478 4.170 -0.000 0.000 0.238 312 I C 1.019 177.157 176.117 0.035 0.000 1.076 312 I CA 0.820 62.123 61.300 0.004 0.000 1.397 312 I CB -1.657 36.325 38.000 -0.029 0.000 1.141 312 I HN -0.038 nan 8.210 nan 0.000 0.430 313 A N 1.229 124.076 122.820 0.044 0.000 2.247 313 A HA 0.660 4.980 4.320 -0.000 0.000 0.313 313 A C -0.054 177.707 177.584 0.296 0.000 1.109 313 A CA -0.493 51.618 52.037 0.124 0.000 0.890 313 A CB 0.785 19.842 19.000 0.096 0.000 1.239 313 A HN 0.409 nan 8.150 nan 0.000 0.506 314 K N -0.505 120.070 120.400 0.293 0.000 2.385 314 K HA 0.415 4.735 4.320 -0.000 0.000 0.248 314 K C -2.332 174.320 176.600 0.087 0.000 0.955 314 K CA -1.743 54.666 56.287 0.204 0.000 0.816 314 K CB 2.035 34.571 32.500 0.060 0.000 1.250 314 K HN 0.206 nan 8.250 nan 0.000 0.434 315 P HA -0.243 nan 4.420 nan 0.000 0.217 315 P C 0.935 178.168 177.300 -0.112 0.000 1.148 315 P CA 1.403 64.257 63.100 -0.411 0.000 0.828 315 P CB 0.167 31.535 31.700 -0.554 0.000 0.783 316 S N -2.017 113.639 115.700 -0.074 0.000 2.547 316 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 316 S C 1.377 175.979 174.600 0.003 0.000 0.980 316 S CA 0.937 59.117 58.200 -0.033 0.000 0.941 316 S CB -0.880 62.303 63.200 -0.029 0.000 0.763 316 S HN 0.072 nan 8.310 nan 0.000 0.532 317 D N 0.634 121.057 120.400 0.039 0.000 2.339 317 D HA 0.235 4.875 4.640 -0.000 0.000 0.217 317 D C 0.264 176.597 176.300 0.055 0.000 1.050 317 D CA -0.025 54.008 54.000 0.054 0.000 0.856 317 D CB 0.010 40.860 40.800 0.084 0.000 0.922 317 D HN 0.295 nan 8.370 nan 0.000 0.518 318 L N 1.471 122.727 121.223 0.056 0.000 2.464 318 L HA 0.229 4.569 4.340 -0.000 0.000 0.264 318 L C 1.024 177.899 176.870 0.008 0.000 1.199 318 L CA -0.447 54.418 54.840 0.042 0.000 0.818 318 L CB 0.314 42.393 42.059 0.034 0.000 1.102 318 L HN 0.055 nan 8.230 nan 0.000 0.473 319 I N 0.769 121.335 120.570 -0.006 0.000 2.836 319 I HA 0.136 4.305 4.170 -0.000 0.000 0.285 319 I C -1.248 174.855 176.117 -0.023 0.000 1.174 319 I CA -1.231 60.060 61.300 -0.017 0.000 1.405 319 I CB 0.047 38.031 38.000 -0.026 0.000 1.385 319 I HN 0.450 nan 8.210 nan 0.000 0.594 320 P HA -0.215 nan 4.420 nan 0.000 0.216 320 P C 1.129 178.409 177.300 -0.034 0.000 1.153 320 P CA 1.732 64.817 63.100 -0.026 0.000 0.858 320 P CB 0.132 31.819 31.700 -0.022 0.000 0.789 321 E N -0.533 119.644 120.200 -0.038 0.000 2.118 321 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 321 E C 2.042 178.606 176.600 -0.060 0.000 0.992 321 E CA 0.805 57.176 56.400 -0.048 0.000 0.804 321 E CB -1.021 28.646 29.700 -0.054 0.000 0.741 321 E HN 0.129 nan 8.360 nan 0.000 0.458 322 L N 0.673 121.859 121.223 -0.062 0.000 2.072 322 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 322 L C 1.923 178.757 176.870 -0.060 0.000 1.079 322 L CA 1.734 56.529 54.840 -0.074 0.000 0.752 322 L CB -0.524 41.494 42.059 -0.068 0.000 0.906 322 L HN 0.104 nan 8.230 nan 0.000 0.436 323 Q N -1.080 118.693 119.800 -0.046 0.000 2.181 323 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 323 Q C 2.011 177.987 176.000 -0.041 0.000 0.980 323 Q CA 1.307 57.084 55.803 -0.044 0.000 0.862 323 Q CB -0.464 28.250 28.738 -0.040 0.000 0.905 323 Q HN 0.658 nan 8.270 nan 0.000 0.429 324 G N 0.443 109.219 108.800 -0.041 0.000 2.421 324 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 324 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 324 G C 1.403 176.281 174.900 -0.036 0.000 1.143 324 G CA 0.122 45.201 45.100 -0.035 0.000 0.784 324 G HN 0.082 nan 8.290 nan 0.000 0.541 325 R N -0.529 119.941 120.500 -0.050 0.000 2.310 325 R HA 0.207 4.547 4.340 -0.000 0.000 0.202 325 R C -0.039 176.240 176.300 -0.035 0.000 0.933 325 R CA -0.013 56.055 56.100 -0.054 0.000 1.054 325 R CB -0.032 30.209 30.300 -0.099 0.000 0.985 325 R HN 0.232 nan 8.270 nan 0.000 0.489 326 L N 2.022 123.227 121.223 -0.031 0.000 2.892 326 L HA 0.267 4.607 4.340 -0.000 0.000 0.251 326 L C -1.507 175.355 176.870 -0.014 0.000 1.339 326 L CA -1.864 52.966 54.840 -0.016 0.000 0.900 326 L CB 1.268 43.310 42.059 -0.029 0.000 1.246 326 L HN -0.126 nan 8.230 nan 0.000 0.524 327 P HA -0.145 nan 4.420 nan 0.000 0.218 327 P C 0.590 177.890 177.300 0.000 0.000 1.146 327 P CA 1.204 64.303 63.100 -0.002 0.000 0.813 327 P CB 0.583 32.288 31.700 0.008 0.000 0.778 328 I N 1.111 121.687 120.570 0.010 0.000 2.353 328 I HA 0.267 4.437 4.170 -0.000 0.000 0.293 328 I C 0.745 176.862 176.117 0.000 0.000 0.992 328 I CA -0.631 60.677 61.300 0.013 0.000 1.268 328 I CB 1.041 39.061 38.000 0.034 0.000 1.387 328 I HN -0.087 nan 8.210 nan 0.000 0.478 329 R N 4.898 125.393 120.500 -0.009 0.000 2.575 329 R HA 0.743 5.083 4.340 -0.000 0.000 0.293 329 R C -1.194 175.102 176.300 -0.007 0.000 0.983 329 R CA -0.875 55.209 56.100 -0.027 0.000 0.887 329 R CB 2.670 32.935 30.300 -0.058 0.000 1.184 329 R HN 0.422 nan 8.270 nan 0.000 0.445 330 V N 1.812 121.728 119.914 0.003 0.000 2.851 330 V HA 0.384 4.503 4.120 -0.000 0.000 0.307 330 V C -0.953 175.158 176.094 0.028 0.000 1.129 330 V CA -0.625 61.687 62.300 0.021 0.000 0.932 330 V CB 2.591 34.439 31.823 0.040 0.000 1.024 330 V HN 0.740 nan 8.190 nan 0.000 0.426 331 E N 4.536 124.754 120.200 0.030 0.000 2.214 331 E HA 0.632 4.982 4.350 -0.000 0.000 0.274 331 E C -1.564 175.069 176.600 0.056 0.000 0.977 331 E CA -0.759 55.666 56.400 0.042 0.000 0.827 331 E CB 2.351 32.070 29.700 0.031 0.000 1.130 331 E HN 0.478 nan 8.360 nan 0.000 0.394 332 L N 2.574 123.839 121.223 0.070 0.000 2.341 332 L HA 0.219 4.559 4.340 -0.000 0.000 0.278 332 L C -0.098 176.814 176.870 0.071 0.000 1.005 332 L CA -0.749 54.136 54.840 0.075 0.000 0.818 332 L CB 1.567 43.681 42.059 0.091 0.000 1.259 332 L HN 0.304 nan 8.230 nan 0.000 0.418 333 Q N 1.660 121.500 119.800 0.066 0.000 2.368 333 Q HA 0.549 4.889 4.340 -0.000 0.000 0.237 333 Q C -0.029 176.016 176.000 0.076 0.000 0.987 333 Q CA -0.382 55.460 55.803 0.065 0.000 0.896 333 Q CB 1.426 30.198 28.738 0.057 0.000 1.241 333 Q HN 0.717 nan 8.270 nan 0.000 0.485 334 A N 1.717 124.582 122.820 0.074 0.000 2.386 334 A HA 0.362 4.682 4.320 -0.000 0.000 0.248 334 A C -0.081 177.568 177.584 0.107 0.000 1.082 334 A CA -0.375 51.710 52.037 0.081 0.000 0.789 334 A CB 0.129 19.164 19.000 0.058 0.000 1.025 334 A HN 0.646 nan 8.150 nan 0.000 0.490 335 L N 1.271 122.577 121.223 0.137 0.000 2.395 335 L HA 0.389 4.728 4.340 -0.000 0.000 0.269 335 L C 1.248 178.209 176.870 0.152 0.000 1.133 335 L CA -0.261 54.682 54.840 0.172 0.000 0.812 335 L CB 1.216 43.478 42.059 0.339 0.000 1.125 335 L HN 0.973 nan 8.230 nan 0.000 0.452 336 T N -2.824 111.784 114.554 0.089 0.000 2.910 336 T HA 0.244 4.594 4.350 -0.000 0.000 0.279 336 T C 1.040 175.597 174.700 -0.238 0.000 0.989 336 T CA -0.257 61.840 62.100 -0.005 0.000 0.968 336 T CB 1.298 70.110 68.868 -0.094 0.000 1.135 336 T HN 0.629 nan 8.240 nan 0.000 0.562 337 T N -0.134 114.149 114.554 -0.452 0.000 2.951 337 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 337 T C 2.130 176.772 174.700 -0.097 0.000 1.073 337 T CA 1.183 63.081 62.100 -0.336 0.000 1.134 337 T CB -0.533 68.058 68.868 -0.461 0.000 0.884 337 T HN 0.612 nan 8.240 nan 0.000 0.479 338 S N 1.084 116.717 115.700 -0.113 0.000 2.387 338 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 338 S C 1.717 176.340 174.600 0.039 0.000 1.026 338 S CA 0.982 59.160 58.200 -0.037 0.000 0.972 338 S CB -0.529 62.636 63.200 -0.059 0.000 0.814 338 S HN 0.347 nan 8.310 nan 0.000 0.477 339 D N 0.631 121.070 120.400 0.066 0.000 2.097 339 D HA -0.035 4.605 4.640 -0.000 0.000 0.197 339 D C 1.626 178.092 176.300 0.277 0.000 0.984 339 D CA 0.931 55.022 54.000 0.151 0.000 0.826 339 D CB -0.477 40.428 40.800 0.174 0.000 0.973 339 D HN 0.362 nan 8.370 nan 0.000 0.460 340 F N 1.766 121.743 119.950 0.046 0.000 2.095 340 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 340 F C 2.364 178.165 175.800 0.001 0.000 1.104 340 F CA 0.874 58.894 58.000 0.034 0.000 1.232 340 F CB -0.902 38.141 39.000 0.072 0.000 0.987 340 F HN 0.063 nan 8.300 nan 0.000 0.475 341 E N -0.295 120.026 120.200 0.202 0.000 2.058 341 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 341 E C 2.312 178.937 176.600 0.043 0.000 0.997 341 E CA 1.404 57.854 56.400 0.084 0.000 0.801 341 E CB -0.267 29.463 29.700 0.049 0.000 0.746 341 E HN 0.406 nan 8.360 nan 0.000 0.450 342 R N 0.427 120.960 120.500 0.055 0.000 2.092 342 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 342 R C 2.416 178.728 176.300 0.021 0.000 1.119 342 R CA 0.972 57.090 56.100 0.030 0.000 0.970 342 R CB -0.270 30.051 30.300 0.035 0.000 0.864 342 R HN 0.205 nan 8.270 nan 0.000 0.440 343 I N 0.654 121.247 120.570 0.038 0.000 2.614 343 I HA -0.228 3.942 4.170 -0.000 0.000 0.258 343 I C 1.841 177.947 176.117 -0.018 0.000 1.189 343 I CA 0.577 61.886 61.300 0.014 0.000 1.462 343 I CB -0.058 37.947 38.000 0.008 0.000 1.092 343 I HN 0.124 nan 8.210 nan 0.000 0.442 344 L N 0.347 121.549 121.223 -0.036 0.000 2.217 344 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 344 L C 2.294 179.107 176.870 -0.095 0.000 1.107 344 L CA 2.243 57.031 54.840 -0.086 0.000 0.783 344 L CB -0.681 41.308 42.059 -0.115 0.000 0.919 344 L HN 0.435 nan 8.230 nan 0.000 0.442 345 T N -7.133 107.387 114.554 -0.057 0.000 3.010 345 T HA 0.072 4.422 4.350 -0.000 0.000 0.253 345 T C 1.572 176.260 174.700 -0.021 0.000 0.939 345 T CA 0.201 62.276 62.100 -0.043 0.000 0.910 345 T CB -0.004 68.842 68.868 -0.037 0.000 1.226 345 T HN 0.110 nan 8.240 nan 0.000 0.508 346 E N 1.995 122.184 120.200 -0.019 0.000 2.046 346 E HA 0.145 4.495 4.350 -0.000 0.000 0.190 346 E C -1.564 175.012 176.600 -0.040 0.000 0.982 346 E CA 0.161 56.548 56.400 -0.022 0.000 0.800 346 E CB -0.580 29.111 29.700 -0.015 0.000 0.756 346 E HN 0.449 nan 8.360 nan 0.000 0.449 347 P HA -0.040 nan 4.420 nan 0.000 0.272 347 P C -1.057 176.193 177.300 -0.082 0.000 1.248 347 P CA 0.366 63.421 63.100 -0.075 0.000 0.799 347 P CB 0.349 32.032 31.700 -0.029 0.000 0.997 348 N N 0.477 119.087 118.700 -0.151 0.000 2.488 348 N HA 0.356 5.096 4.740 -0.000 0.000 0.274 348 N C 0.016 175.526 175.510 -0.000 0.000 1.111 348 N CA 0.089 53.083 53.050 -0.093 0.000 0.974 348 N CB 0.262 38.656 38.487 -0.155 0.000 1.089 348 N HN 0.488 nan 8.380 nan 0.000 0.465 349 A N 1.190 124.016 122.820 0.011 0.000 2.872 349 A HA -0.211 4.109 4.320 -0.000 0.000 0.273 349 A C 0.711 178.311 177.584 0.026 0.000 1.442 349 A CA 0.664 52.716 52.037 0.026 0.000 0.801 349 A CB -2.474 16.550 19.000 0.040 0.000 1.031 349 A HN 0.754 nan 8.150 nan 0.000 0.582 350 S N -0.537 115.174 115.700 0.018 0.000 2.569 350 S HA 0.393 4.863 4.470 -0.000 0.000 0.274 350 S C 1.526 176.144 174.600 0.030 0.000 1.353 350 S CA -0.115 58.096 58.200 0.018 0.000 1.023 350 S CB 0.159 63.359 63.200 -0.000 0.000 0.876 350 S HN 1.434 nan 8.310 nan 0.000 0.540 351 I N -0.986 119.607 120.570 0.039 0.000 2.399 351 I HA -0.154 4.016 4.170 -0.000 0.000 0.254 351 I C 2.357 178.547 176.117 0.121 0.000 1.146 351 I CA 1.723 63.069 61.300 0.076 0.000 1.412 351 I CB -1.433 36.634 38.000 0.111 0.000 1.076 351 I HN 0.679 nan 8.210 nan 0.000 0.432 352 T N 1.048 115.614 114.554 0.020 0.000 2.737 352 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 352 T C 2.024 176.826 174.700 0.169 0.000 1.038 352 T CA 1.473 63.555 62.100 -0.030 0.000 1.144 352 T CB -0.160 68.544 68.868 -0.274 0.000 0.866 352 T HN 0.200 nan 8.240 nan 0.000 0.434 353 V N 1.523 121.499 119.914 0.103 0.000 2.287 353 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 353 V C 2.631 178.791 176.094 0.110 0.000 1.053 353 V CA 1.867 64.232 62.300 0.107 0.000 1.027 353 V CB -0.614 31.242 31.823 0.055 0.000 0.646 353 V HN 0.564 nan 8.190 nan 0.000 0.447 354 Q N -1.483 118.369 119.800 0.086 0.000 2.112 354 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 354 Q C 2.174 178.194 176.000 0.034 0.000 0.987 354 Q CA 2.463 58.288 55.803 0.037 0.000 0.858 354 Q CB -0.340 28.399 28.738 0.002 0.000 0.905 354 Q HN 0.709 nan 8.270 nan 0.000 0.420 355 Y N 0.929 121.274 120.300 0.075 0.000 2.145 355 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 355 Y C 2.440 178.388 175.900 0.080 0.000 1.145 355 Y CA 1.620 59.780 58.100 0.099 0.000 1.148 355 Y CB 0.032 38.607 38.460 0.192 0.000 0.981 355 Y HN -0.021 nan 8.280 nan 0.000 0.507 356 K N -0.327 120.230 120.400 0.262 0.000 2.063 356 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 356 K C 2.262 178.899 176.600 0.062 0.000 1.048 356 K CA 1.167 57.536 56.287 0.137 0.000 0.928 356 K CB -0.345 32.234 32.500 0.133 0.000 0.713 356 K HN 0.315 nan 8.250 nan 0.000 0.442 357 A N 1.135 123.982 122.820 0.046 0.000 1.851 357 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 357 A C 2.118 179.690 177.584 -0.019 0.000 1.195 357 A CA 1.578 53.620 52.037 0.007 0.000 0.622 357 A CB -0.841 18.158 19.000 -0.002 0.000 0.831 357 A HN 0.286 nan 8.150 nan 0.000 0.444 358 L N -1.111 120.080 121.223 -0.053 0.000 2.042 358 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 358 L C 2.777 179.616 176.870 -0.053 0.000 1.076 358 L CA 1.239 56.026 54.840 -0.088 0.000 0.749 358 L CB -0.414 41.527 42.059 -0.197 0.000 0.893 358 L HN 0.351 nan 8.230 nan 0.000 0.432 359 M N -0.932 118.659 119.600 -0.016 0.000 2.296 359 M HA -0.106 4.374 4.480 -0.000 0.000 0.265 359 M C 2.490 178.784 176.300 -0.010 0.000 1.064 359 M CA 1.577 56.880 55.300 0.004 0.000 1.109 359 M CB -1.250 31.373 32.600 0.038 0.000 1.396 359 M HN 0.295 nan 8.290 nan 0.000 0.430 360 A N -0.315 122.499 122.820 -0.010 0.000 1.930 360 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 360 A C 2.261 179.834 177.584 -0.018 0.000 1.175 360 A CA 2.007 54.036 52.037 -0.013 0.000 0.627 360 A CB -1.081 17.914 19.000 -0.009 0.000 0.815 360 A HN 0.430 nan 8.150 nan 0.000 0.443 361 T N -0.471 114.069 114.554 -0.023 0.000 2.760 361 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 361 T C 1.663 176.347 174.700 -0.026 0.000 1.047 361 T CA 1.977 64.061 62.100 -0.026 0.000 1.139 361 T CB -0.160 68.688 68.868 -0.034 0.000 0.855 361 T HN 0.575 nan 8.240 nan 0.000 0.471 362 E N -0.467 119.718 120.200 -0.026 0.000 2.479 362 E HA 0.281 4.631 4.350 -0.000 0.000 0.193 362 E C 1.290 177.877 176.600 -0.023 0.000 1.049 362 E CA 0.430 56.815 56.400 -0.026 0.000 0.870 362 E CB -0.026 29.658 29.700 -0.026 0.000 0.944 362 E HN 0.438 nan 8.360 nan 0.000 0.492 363 G N -0.063 108.725 108.800 -0.020 0.000 2.132 363 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.228 363 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.228 363 G C -0.152 174.736 174.900 -0.020 0.000 1.000 363 G CA 0.286 45.375 45.100 -0.019 0.000 0.693 363 G HN 0.147 nan 8.290 nan 0.000 0.515 364 V N 0.477 120.377 119.914 -0.022 0.000 2.417 364 V HA 0.550 4.670 4.120 -0.000 0.000 0.291 364 V C 0.211 176.283 176.094 -0.037 0.000 1.024 364 V CA -1.008 61.275 62.300 -0.029 0.000 0.861 364 V CB 1.801 33.608 31.823 -0.027 0.000 0.985 364 V HN 0.386 nan 8.190 nan 0.000 0.436 365 N N 5.227 123.899 118.700 -0.046 0.000 2.420 365 N HA 0.298 5.038 4.740 -0.000 0.000 0.249 365 N C -0.801 174.651 175.510 -0.097 0.000 1.033 365 N CA -0.267 52.750 53.050 -0.056 0.000 0.944 365 N CB 0.431 38.891 38.487 -0.046 0.000 1.113 365 N HN 0.479 nan 8.380 nan 0.000 0.502 366 I N 2.351 122.851 120.570 -0.118 0.000 2.385 366 I HA 0.378 4.548 4.170 -0.000 0.000 0.294 366 I C -0.052 175.903 176.117 -0.271 0.000 0.988 366 I CA -0.334 60.826 61.300 -0.233 0.000 1.265 366 I CB 1.382 39.245 38.000 -0.228 0.000 1.388 366 I HN 0.484 nan 8.210 nan 0.000 0.480 367 E N 5.538 125.499 120.200 -0.398 0.000 2.278 367 E HA 0.404 4.754 4.350 -0.000 0.000 0.272 367 E C -1.458 174.888 176.600 -0.423 0.000 0.890 367 E CA -0.486 55.734 56.400 -0.300 0.000 0.770 367 E CB 2.193 31.806 29.700 -0.144 0.000 1.212 367 E HN 0.188 nan 8.360 nan 0.000 0.415 368 F N 1.142 121.065 119.950 -0.045 0.000 2.420 368 F HA 0.303 4.829 4.527 -0.000 0.000 0.342 368 F C 1.356 177.142 175.800 -0.023 0.000 1.113 368 F CA -0.599 57.375 58.000 -0.044 0.000 1.059 368 F CB 1.397 40.377 39.000 -0.035 0.000 1.128 368 F HN 0.156 nan 8.300 nan 0.000 0.475 369 T N -1.651 112.992 114.554 0.148 0.000 2.899 369 T HA 0.194 4.544 4.350 -0.000 0.000 0.284 369 T C 0.653 175.413 174.700 0.101 0.000 1.004 369 T CA -0.748 61.407 62.100 0.092 0.000 1.043 369 T CB 1.199 70.103 68.868 0.059 0.000 1.013 369 T HN 0.479 nan 8.240 nan 0.000 0.518 370 D N 0.883 121.323 120.400 0.066 0.000 2.158 370 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 370 D C 2.202 178.531 176.300 0.049 0.000 0.995 370 D CA 1.457 55.487 54.000 0.051 0.000 0.846 370 D CB -0.297 40.523 40.800 0.033 0.000 0.941 370 D HN 0.560 nan 8.370 nan 0.000 0.456 371 S N -0.676 115.055 115.700 0.052 0.000 2.414 371 S HA 0.010 4.480 4.470 -0.000 0.000 0.227 371 S C 2.067 176.709 174.600 0.070 0.000 1.022 371 S CA 0.821 59.051 58.200 0.050 0.000 0.958 371 S CB -0.217 63.009 63.200 0.044 0.000 0.797 371 S HN 0.397 nan 8.310 nan 0.000 0.493 372 G N 1.621 110.479 108.800 0.096 0.000 2.432 372 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.219 372 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.219 372 G C 1.290 176.259 174.900 0.114 0.000 1.135 372 G CA 0.519 45.699 45.100 0.134 0.000 0.767 372 G HN 0.474 nan 8.290 nan 0.000 0.550 373 I N -0.123 120.495 120.570 0.080 0.000 2.333 373 I HA -0.029 4.141 4.170 -0.000 0.000 0.246 373 I C 2.652 178.783 176.117 0.023 0.000 1.106 373 I CA 0.865 62.170 61.300 0.009 0.000 1.411 373 I CB -0.173 37.810 38.000 -0.029 0.000 1.082 373 I HN 0.127 nan 8.210 nan 0.000 0.420 374 K N 1.149 121.569 120.400 0.034 0.000 2.074 374 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 374 K C 2.290 178.916 176.600 0.043 0.000 1.048 374 K CA 1.701 58.006 56.287 0.030 0.000 0.926 374 K CB -0.013 32.499 32.500 0.020 0.000 0.713 374 K HN 0.032 nan 8.250 nan 0.000 0.444 375 R N 0.403 120.935 120.500 0.054 0.000 2.115 375 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 375 R C 2.155 178.504 176.300 0.082 0.000 1.111 375 R CA 1.090 57.230 56.100 0.067 0.000 0.976 375 R CB -0.092 30.253 30.300 0.075 0.000 0.870 375 R HN 0.248 nan 8.270 nan 0.000 0.445 376 I N -0.160 120.454 120.570 0.073 0.000 2.179 376 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 376 I C 2.353 178.528 176.117 0.097 0.000 1.088 376 I CA 1.328 62.666 61.300 0.064 0.000 1.357 376 I CB -0.421 37.579 38.000 0.001 0.000 1.051 376 I HN 0.249 nan 8.210 nan 0.000 0.409 377 A N 0.393 123.284 122.820 0.117 0.000 1.883 377 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 377 A C 2.199 179.955 177.584 0.287 0.000 1.186 377 A CA 1.931 54.118 52.037 0.251 0.000 0.624 377 A CB -0.693 18.441 19.000 0.224 0.000 0.822 377 A HN 0.421 nan 8.150 nan 0.000 0.444 378 E N -0.467 119.829 120.200 0.160 0.000 2.070 378 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 378 E C 2.306 179.022 176.600 0.194 0.000 1.004 378 E CA 1.255 57.735 56.400 0.132 0.000 0.805 378 E CB -0.292 29.446 29.700 0.064 0.000 0.744 378 E HN 0.625 nan 8.360 nan 0.000 0.451 379 A N 1.043 123.961 122.820 0.163 0.000 1.877 379 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 379 A C 2.373 180.071 177.584 0.189 0.000 1.186 379 A CA 1.842 53.969 52.037 0.150 0.000 0.620 379 A CB -0.813 18.253 19.000 0.112 0.000 0.822 379 A HN 0.338 nan 8.150 nan 0.000 0.443 380 A N -1.291 121.671 122.820 0.236 0.000 1.908 380 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 380 A C 2.101 179.921 177.584 0.393 0.000 1.181 380 A CA 1.529 53.734 52.037 0.280 0.000 0.627 380 A CB -0.894 18.265 19.000 0.265 0.000 0.818 380 A HN 0.889 nan 8.150 nan 0.000 0.445 381 W N 0.614 122.054 121.300 0.233 0.000 2.388 381 W HA -0.178 4.482 4.660 -0.000 0.000 0.294 381 W C 1.957 178.493 176.519 0.029 0.000 1.212 381 W CA 2.174 59.538 57.345 0.032 0.000 1.271 381 W CB -0.355 29.016 29.460 -0.149 0.000 1.126 381 W HN 0.479 nan 8.180 nan 0.000 0.535 382 Q N 0.804 120.782 119.800 0.296 0.000 2.050 382 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 382 Q C 2.137 178.172 176.000 0.058 0.000 0.980 382 Q CA 2.797 58.712 55.803 0.187 0.000 0.840 382 Q CB -0.887 27.954 28.738 0.171 0.000 0.898 382 Q HN 0.129 nan 8.270 nan 0.000 0.424 383 V N 0.921 120.870 119.914 0.059 0.000 2.427 383 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 383 V C 1.901 177.977 176.094 -0.031 0.000 1.051 383 V CA 2.002 64.316 62.300 0.024 0.000 1.048 383 V CB -0.796 31.049 31.823 0.038 0.000 0.666 383 V HN 0.441 nan 8.190 nan 0.000 0.456 384 N N -0.421 118.235 118.700 -0.074 0.000 2.142 384 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 384 N C 2.032 177.402 175.510 -0.233 0.000 1.023 384 N CA 1.000 53.955 53.050 -0.158 0.000 0.852 384 N CB -0.022 38.340 38.487 -0.207 0.000 0.998 384 N HN 0.380 nan 8.380 nan 0.000 0.424 385 E N 0.709 120.722 120.200 -0.311 0.000 2.046 385 E HA -0.113 4.236 4.350 -0.000 0.000 0.190 385 E C 2.062 178.604 176.600 -0.096 0.000 0.982 385 E CA 0.586 56.841 56.400 -0.242 0.000 0.800 385 E CB -0.255 29.329 29.700 -0.192 0.000 0.756 385 E HN 0.186 nan 8.360 nan 0.000 0.449 386 S N -0.144 115.526 115.700 -0.051 0.000 2.356 386 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 386 S C 1.794 176.383 174.600 -0.018 0.000 1.032 386 S CA 2.244 60.437 58.200 -0.012 0.000 1.005 386 S CB -0.294 62.914 63.200 0.014 0.000 0.867 386 S HN 0.446 nan 8.310 nan 0.000 0.449 387 T N -1.136 113.400 114.554 -0.029 0.000 1.938 387 T HA 0.489 4.839 4.350 -0.000 0.000 0.190 387 T C -0.527 174.147 174.700 -0.043 0.000 0.738 387 T CA -0.539 61.546 62.100 -0.025 0.000 1.390 387 T CB -0.288 68.573 68.868 -0.012 0.000 3.294 387 T HN 0.169 nan 8.240 nan 0.000 0.416 388 E N 1.807 121.981 120.200 -0.044 0.000 2.175 388 E HA 0.397 4.747 4.350 -0.000 0.000 0.278 388 E C -0.877 175.685 176.600 -0.063 0.000 0.969 388 E CA -0.250 56.119 56.400 -0.051 0.000 0.796 388 E CB 0.977 30.651 29.700 -0.044 0.000 1.104 388 E HN 0.576 nan 8.360 nan 0.000 0.395 389 N N 3.685 122.338 118.700 -0.079 0.000 2.402 389 N HA 0.091 4.831 4.740 -0.000 0.000 0.252 389 N C 0.324 175.803 175.510 -0.052 0.000 1.118 389 N CA -0.095 52.899 53.050 -0.093 0.000 0.945 389 N CB 0.269 38.675 38.487 -0.135 0.000 1.147 389 N HN 0.548 nan 8.380 nan 0.000 0.495 390 I N 1.361 121.911 120.570 -0.034 0.000 3.889 390 I HA 0.464 4.634 4.170 -0.000 0.000 0.332 390 I C 0.920 177.035 176.117 -0.005 0.000 1.493 390 I CA -0.513 60.775 61.300 -0.020 0.000 1.158 390 I CB -0.446 37.539 38.000 -0.026 0.000 1.117 390 I HN 0.617 nan 8.210 nan 0.000 0.411 391 G N 1.997 110.816 108.800 0.031 0.000 2.575 391 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 391 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 391 G C 0.828 175.752 174.900 0.041 0.000 1.264 391 G CA 0.527 45.684 45.100 0.095 0.000 0.935 391 G HN 0.690 nan 8.290 nan 0.000 0.568 392 A N -0.662 122.122 122.820 -0.060 0.000 1.978 392 A HA -0.044 4.276 4.320 -0.000 0.000 0.220 392 A C 2.428 179.692 177.584 -0.534 0.000 1.170 392 A CA 2.281 54.062 52.037 -0.426 0.000 0.636 392 A CB -0.466 18.382 19.000 -0.252 0.000 0.810 392 A HN 0.745 nan 8.150 nan 0.000 0.448 393 R N -1.079 119.236 120.500 -0.308 0.000 2.153 393 R HA -0.253 4.087 4.340 -0.000 0.000 0.252 393 R C 2.309 178.392 176.300 -0.362 0.000 1.158 393 R CA 1.832 57.760 56.100 -0.286 0.000 0.975 393 R CB -0.316 29.947 30.300 -0.062 0.000 0.871 393 R HN 0.469 nan 8.270 nan 0.000 0.450 394 R N 1.208 121.542 120.500 -0.277 0.000 2.211 394 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 394 R C 1.888 178.035 176.300 -0.254 0.000 1.144 394 R CA 1.235 57.221 56.100 -0.190 0.000 0.992 394 R CB -0.431 29.821 30.300 -0.079 0.000 0.869 394 R HN 0.262 nan 8.270 nan 0.000 0.462 395 L N -0.772 120.156 121.223 -0.491 0.000 2.109 395 L HA -0.158 4.181 4.340 -0.000 0.000 0.207 395 L C 2.136 178.883 176.870 -0.205 0.000 1.086 395 L CA 1.077 55.681 54.840 -0.395 0.000 0.760 395 L CB -0.593 41.150 42.059 -0.526 0.000 0.910 395 L HN 0.325 nan 8.230 nan 0.000 0.437 396 H N -0.506 118.511 119.070 -0.090 0.000 2.353 396 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 396 H C 2.489 177.818 175.328 0.002 0.000 1.090 396 H CA 2.004 58.035 56.048 -0.028 0.000 1.327 396 H CB -0.972 28.778 29.762 -0.020 0.000 1.383 396 H HN 0.428 nan 8.280 nan 0.000 0.508 397 T N -0.819 113.787 114.554 0.086 0.000 2.737 397 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 397 T C 2.324 177.054 174.700 0.050 0.000 1.038 397 T CA 1.403 63.543 62.100 0.066 0.000 1.144 397 T CB -0.946 67.945 68.868 0.038 0.000 0.866 397 T HN 0.083 nan 8.240 nan 0.000 0.434 398 V N 1.929 121.855 119.914 0.021 0.000 2.237 398 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 398 V C 2.641 178.749 176.094 0.022 0.000 1.046 398 V CA 1.764 64.080 62.300 0.027 0.000 1.007 398 V CB -1.022 30.813 31.823 0.021 0.000 0.638 398 V HN 0.388 nan 8.190 nan 0.000 0.445 399 L N 0.302 121.524 121.223 -0.003 0.000 2.013 399 L HA -0.201 4.138 4.340 -0.000 0.000 0.212 399 L C 2.503 179.348 176.870 -0.042 0.000 1.073 399 L CA 2.029 56.840 54.840 -0.047 0.000 0.753 399 L CB -0.920 41.108 42.059 -0.052 0.000 0.890 399 L HN 0.319 nan 8.230 nan 0.000 0.432 400 E N -0.509 119.730 120.200 0.066 0.000 2.110 400 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 400 E C 2.344 179.001 176.600 0.095 0.000 0.988 400 E CA 1.077 57.554 56.400 0.130 0.000 0.804 400 E CB -0.327 29.471 29.700 0.163 0.000 0.745 400 E HN 0.383 nan 8.360 nan 0.000 0.458 401 R N 1.252 121.798 120.500 0.075 0.000 2.096 401 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 401 R C 2.230 178.576 176.300 0.076 0.000 1.127 401 R CA 0.869 57.016 56.100 0.078 0.000 0.968 401 R CB -0.855 29.489 30.300 0.074 0.000 0.861 401 R HN 0.198 nan 8.270 nan 0.000 0.440 402 L N -0.421 120.835 121.223 0.055 0.000 2.141 402 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 402 L C 1.427 178.301 176.870 0.007 0.000 1.094 402 L CA 1.657 56.530 54.840 0.055 0.000 0.763 402 L CB -0.129 41.970 42.059 0.068 0.000 0.908 402 L HN 0.216 nan 8.230 nan 0.000 0.437 403 M N -1.601 117.982 119.600 -0.028 0.000 2.428 403 M HA 0.085 4.565 4.480 -0.000 0.000 0.239 403 M C 1.735 178.099 176.300 0.107 0.000 1.121 403 M CA 0.263 55.551 55.300 -0.020 0.000 1.019 403 M CB -0.271 32.190 32.600 -0.232 0.000 1.485 403 M HN 0.222 nan 8.290 nan 0.000 0.484 404 E N 1.599 121.866 120.200 0.112 0.000 2.171 404 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 404 E C 1.795 178.480 176.600 0.142 0.000 0.997 404 E CA 1.493 57.974 56.400 0.135 0.000 0.810 404 E CB 0.254 30.016 29.700 0.104 0.000 0.738 404 E HN 0.398 nan 8.360 nan 0.000 0.467 405 E N -0.089 120.184 120.200 0.121 0.000 2.015 405 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 405 E C 2.130 178.833 176.600 0.173 0.000 0.991 405 E CA 1.003 57.489 56.400 0.143 0.000 0.802 405 E CB -0.153 29.636 29.700 0.147 0.000 0.759 405 E HN 0.355 nan 8.360 nan 0.000 0.447 406 I N 1.096 121.750 120.570 0.141 0.000 2.179 406 I HA -0.214 3.955 4.170 -0.000 0.000 0.242 406 I C 2.650 178.851 176.117 0.140 0.000 1.088 406 I CA 0.959 62.327 61.300 0.113 0.000 1.357 406 I CB -1.502 36.521 38.000 0.038 0.000 1.051 406 I HN 0.039 nan 8.210 nan 0.000 0.409 407 S N -0.049 115.760 115.700 0.182 0.000 2.392 407 S HA -0.285 4.185 4.470 -0.000 0.000 0.232 407 S C 2.180 176.877 174.600 0.161 0.000 1.041 407 S CA 1.720 60.029 58.200 0.183 0.000 1.026 407 S CB -0.456 62.881 63.200 0.228 0.000 0.845 407 S HN 0.485 nan 8.310 nan 0.000 0.465 408 Y N 1.578 121.917 120.300 0.066 0.000 2.176 408 Y HA -0.007 4.543 4.550 -0.000 0.000 0.291 408 Y C 2.096 178.020 175.900 0.040 0.000 1.122 408 Y CA 1.879 60.008 58.100 0.049 0.000 1.128 408 Y CB -0.414 38.077 38.460 0.051 0.000 1.005 408 Y HN 0.238 nan 8.280 nan 0.000 0.509 409 D N 0.311 120.836 120.400 0.208 0.000 2.178 409 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 409 D C 2.231 178.540 176.300 0.016 0.000 0.974 409 D CA 1.068 55.131 54.000 0.104 0.000 0.841 409 D CB -0.689 40.202 40.800 0.152 0.000 0.953 409 D HN 0.463 nan 8.370 nan 0.000 0.478 410 A N 1.183 124.017 122.820 0.023 0.000 1.826 410 A HA -0.407 3.913 4.320 -0.000 0.000 0.267 410 A C 2.408 179.978 177.584 -0.023 0.000 2.510 410 A CA 3.540 55.577 52.037 0.000 0.000 0.865 410 A CB -1.350 17.649 19.000 -0.001 0.000 0.830 410 A HN 0.319 nan 8.150 nan 0.000 0.508 411 S N 0.237 115.907 115.700 -0.050 0.000 2.378 411 S HA -0.254 4.216 4.470 -0.000 0.000 0.229 411 S C 1.314 175.891 174.600 -0.038 0.000 1.052 411 S CA 1.954 60.122 58.200 -0.052 0.000 1.084 411 S CB -0.858 62.293 63.200 -0.081 0.000 0.950 411 S HN 0.696 nan 8.310 nan 0.000 0.440 412 D N 0.264 120.641 120.400 -0.038 0.000 2.378 412 D HA 0.134 4.774 4.640 -0.000 0.000 0.227 412 D C 0.649 176.948 176.300 -0.001 0.000 1.012 412 D CA 0.301 54.291 54.000 -0.016 0.000 0.905 412 D CB -0.006 40.789 40.800 -0.007 0.000 0.895 412 D HN 0.162 nan 8.370 nan 0.000 0.532 413 L N -0.367 120.854 121.223 -0.003 0.000 2.959 413 L HA 0.221 4.561 4.340 -0.000 0.000 0.259 413 L C 0.441 177.307 176.870 -0.007 0.000 1.185 413 L CA -0.069 54.773 54.840 0.002 0.000 0.998 413 L CB 0.246 42.311 42.059 0.010 0.000 1.337 413 L HN -0.218 nan 8.230 nan 0.000 0.555 414 S N -0.282 115.411 115.700 -0.012 0.000 2.558 414 S HA 0.320 4.790 4.470 -0.000 0.000 0.287 414 S C 1.495 176.087 174.600 -0.013 0.000 1.321 414 S CA 0.893 59.084 58.200 -0.015 0.000 1.048 414 S CB 0.176 63.366 63.200 -0.016 0.000 0.844 414 S HN 0.820 nan 8.310 nan 0.000 0.512 415 G N 2.741 111.532 108.800 -0.015 0.000 2.155 415 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 415 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 415 G C -0.054 174.836 174.900 -0.015 0.000 0.983 415 G CA 0.617 45.708 45.100 -0.014 0.000 0.676 415 G HN 0.763 nan 8.290 nan 0.000 0.528 416 Q N -0.616 119.173 119.800 -0.019 0.000 2.240 416 Q HA 0.500 4.840 4.340 -0.000 0.000 0.260 416 Q C -0.470 175.510 176.000 -0.033 0.000 1.018 416 Q CA -0.951 54.839 55.803 -0.021 0.000 0.898 416 Q CB 0.920 29.648 28.738 -0.017 0.000 1.301 416 Q HN 0.161 nan 8.270 nan 0.000 0.469 417 N N 1.535 120.213 118.700 -0.037 0.000 2.816 417 N HA 0.279 5.019 4.740 -0.000 0.000 0.236 417 N C -1.201 174.266 175.510 -0.071 0.000 1.076 417 N CA -0.164 52.854 53.050 -0.052 0.000 0.902 417 N CB 0.541 39.003 38.487 -0.041 0.000 1.149 417 N HN 0.388 nan 8.380 nan 0.000 0.506 418 I N 0.883 121.393 120.570 -0.101 0.000 2.416 418 I HA 0.081 4.250 4.170 -0.000 0.000 0.288 418 I C 1.025 177.012 176.117 -0.216 0.000 1.051 418 I CA 0.055 61.268 61.300 -0.145 0.000 1.375 418 I CB 1.239 39.139 38.000 -0.166 0.000 1.407 418 I HN 0.136 nan 8.210 nan 0.000 0.516 419 T N 7.199 121.627 114.554 -0.210 0.000 2.797 419 T HA 0.565 4.915 4.350 -0.000 0.000 0.279 419 T C -0.514 173.994 174.700 -0.319 0.000 0.991 419 T CA -0.718 61.242 62.100 -0.233 0.000 0.979 419 T CB 0.364 69.160 68.868 -0.120 0.000 0.943 419 T HN 0.217 nan 8.240 nan 0.000 0.444 420 I N 6.170 126.497 120.570 -0.404 0.000 2.307 420 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 420 I C 0.073 176.156 176.117 -0.056 0.000 1.054 420 I CA -0.855 60.221 61.300 -0.372 0.000 1.218 420 I CB 0.033 37.737 38.000 -0.494 0.000 1.398 420 I HN 0.739 nan 8.210 nan 0.000 0.475 421 D N 4.518 124.944 120.400 0.043 0.000 2.616 421 D HA 0.557 5.197 4.640 -0.000 0.000 0.260 421 D C 1.129 177.517 176.300 0.147 0.000 1.158 421 D CA -0.649 53.408 54.000 0.095 0.000 1.085 421 D CB 0.643 41.485 40.800 0.069 0.000 1.222 421 D HN 0.250 nan 8.370 nan 0.000 0.626 422 A N -0.334 122.554 122.820 0.114 0.000 1.940 422 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 422 A C 1.501 179.156 177.584 0.119 0.000 1.176 422 A CA 2.082 54.184 52.037 0.108 0.000 0.631 422 A CB -1.032 18.012 19.000 0.073 0.000 0.814 422 A HN 0.571 nan 8.150 nan 0.000 0.446 423 D N -1.773 118.697 120.400 0.118 0.000 2.084 423 D HA -0.157 4.482 4.640 -0.000 0.000 0.194 423 D C 1.727 178.113 176.300 0.143 0.000 0.990 423 D CA 1.655 55.718 54.000 0.106 0.000 0.826 423 D CB -0.504 40.352 40.800 0.093 0.000 0.971 423 D HN 0.560 nan 8.370 nan 0.000 0.453 424 Y N 1.454 121.810 120.300 0.094 0.000 2.097 424 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 424 Y C 2.231 178.273 175.900 0.237 0.000 1.152 424 Y CA 1.306 59.511 58.100 0.175 0.000 1.136 424 Y CB -0.588 37.937 38.460 0.108 0.000 0.975 424 Y HN -0.174 nan 8.280 nan 0.000 0.498 425 V N -0.515 119.639 119.914 0.401 0.000 2.219 425 V HA -0.394 3.726 4.120 -0.000 0.000 0.248 425 V C 2.461 178.655 176.094 0.166 0.000 1.053 425 V CA 2.384 64.855 62.300 0.285 0.000 1.009 425 V CB -1.254 30.697 31.823 0.213 0.000 0.636 425 V HN 0.443 nan 8.190 nan 0.000 0.445 426 S N -0.952 114.815 115.700 0.113 0.000 2.402 426 S HA -0.285 4.185 4.470 -0.000 0.000 0.233 426 S C 1.990 176.593 174.600 0.005 0.000 1.030 426 S CA 1.963 60.197 58.200 0.057 0.000 1.003 426 S CB -0.371 62.855 63.200 0.044 0.000 0.813 426 S HN 0.613 nan 8.310 nan 0.000 0.477 427 K N -0.015 120.362 120.400 -0.038 0.000 2.366 427 K HA -0.045 4.275 4.320 -0.000 0.000 0.198 427 K C 1.293 177.699 176.600 -0.323 0.000 1.044 427 K CA 0.920 57.096 56.287 -0.185 0.000 0.973 427 K CB 0.005 32.349 32.500 -0.260 0.000 0.767 427 K HN 0.465 nan 8.250 nan 0.000 0.475 428 H N -0.904 118.083 119.070 -0.138 0.000 2.705 428 H HA 0.146 4.702 4.556 -0.000 0.000 0.269 428 H C 1.361 176.672 175.328 -0.029 0.000 0.998 428 H CA 0.354 56.334 56.048 -0.114 0.000 1.193 428 H CB 0.831 30.501 29.762 -0.153 0.000 1.485 428 H HN 0.153 nan 8.280 nan 0.000 0.521 429 L N -0.720 120.554 121.223 0.085 0.000 2.663 429 L HA 0.061 4.401 4.340 -0.000 0.000 0.218 429 L C 1.714 178.611 176.870 0.045 0.000 1.043 429 L CA 0.067 54.951 54.840 0.073 0.000 0.876 429 L CB 0.227 42.340 42.059 0.091 0.000 1.263 429 L HN -0.121 nan 8.230 nan 0.000 0.486 430 D N 1.545 121.965 120.400 0.034 0.000 2.204 430 D HA -0.298 4.342 4.640 -0.000 0.000 0.189 430 D C 2.110 178.420 176.300 0.017 0.000 1.006 430 D CA 2.130 56.145 54.000 0.025 0.000 0.855 430 D CB -0.197 40.610 40.800 0.012 0.000 0.946 430 D HN 0.345 nan 8.370 nan 0.000 0.448 431 A N 0.036 122.856 122.820 -0.000 0.000 1.873 431 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 431 A C 2.250 179.839 177.584 0.009 0.000 1.193 431 A CA 1.743 53.777 52.037 -0.004 0.000 0.629 431 A CB -0.906 18.081 19.000 -0.021 0.000 0.826 431 A HN 0.198 nan 8.150 nan 0.000 0.447 432 L N -0.460 120.773 121.223 0.017 0.000 1.989 432 L HA -0.168 4.171 4.340 -0.000 0.000 0.211 432 L C 2.569 179.463 176.870 0.039 0.000 1.071 432 L CA 1.660 56.518 54.840 0.030 0.000 0.749 432 L CB -1.069 41.014 42.059 0.041 0.000 0.890 432 L HN 0.203 nan 8.230 nan 0.000 0.431 433 V N -0.118 119.822 119.914 0.044 0.000 2.332 433 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 433 V C 2.712 178.832 176.094 0.044 0.000 1.055 433 V CA 1.759 64.089 62.300 0.050 0.000 1.038 433 V CB -1.259 30.600 31.823 0.060 0.000 0.651 433 V HN 0.516 nan 8.190 nan 0.000 0.450 434 A N -0.398 122.443 122.820 0.035 0.000 1.930 434 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 434 A C 1.438 179.038 177.584 0.026 0.000 1.175 434 A CA 1.338 53.393 52.037 0.029 0.000 0.627 434 A CB -0.419 18.594 19.000 0.021 0.000 0.815 434 A HN 0.524 nan 8.150 nan 0.000 0.443 435 D N 0.074 120.488 120.400 0.025 0.000 2.383 435 D HA 0.177 4.817 4.640 -0.000 0.000 0.245 435 D C 0.942 177.265 176.300 0.037 0.000 1.263 435 D CA 0.017 54.031 54.000 0.023 0.000 0.936 435 D CB 0.346 41.155 40.800 0.015 0.000 1.053 435 D HN 0.453 nan 8.370 nan 0.000 0.507 436 E N 2.212 122.434 120.200 0.038 0.000 2.023 436 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 436 E C 1.079 177.723 176.600 0.072 0.000 1.003 436 E CA 1.357 57.786 56.400 0.047 0.000 0.809 436 E CB 0.103 29.825 29.700 0.038 0.000 0.755 436 E HN 0.587 nan 8.360 nan 0.000 0.449 437 D N 0.504 120.948 120.400 0.074 0.000 2.158 437 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 437 D C 1.998 178.409 176.300 0.186 0.000 0.995 437 D CA 0.773 54.848 54.000 0.124 0.000 0.846 437 D CB -0.094 40.754 40.800 0.080 0.000 0.941 437 D HN 0.089 nan 8.370 nan 0.000 0.456 438 L N -0.353 120.928 121.223 0.098 0.000 2.141 438 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 438 L C 2.187 179.154 176.870 0.162 0.000 1.094 438 L CA 0.906 55.802 54.840 0.094 0.000 0.763 438 L CB -0.199 41.877 42.059 0.029 0.000 0.908 438 L HN 0.042 nan 8.230 nan 0.000 0.437 439 S N -0.285 115.489 115.700 0.124 0.000 2.399 439 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 439 S C 1.802 176.465 174.600 0.105 0.000 1.022 439 S CA 0.978 59.237 58.200 0.099 0.000 0.983 439 S CB -0.153 63.086 63.200 0.066 0.000 0.803 439 S HN 0.452 nan 8.310 nan 0.000 0.480 440 R N -0.782 119.800 120.500 0.137 0.000 2.280 440 R HA 0.063 4.403 4.340 -0.000 0.000 0.207 440 R C 1.134 177.384 176.300 -0.082 0.000 1.043 440 R CA 0.841 56.961 56.100 0.033 0.000 1.006 440 R CB -0.134 30.181 30.300 0.025 0.000 0.885 440 R HN 0.412 nan 8.270 nan 0.000 0.467 441 F N -0.941 119.013 119.950 0.007 0.000 2.480 441 F HA 0.108 4.635 4.527 -0.000 0.000 0.280 441 F C 1.862 177.669 175.800 0.012 0.000 1.002 441 F CA 0.064 58.069 58.000 0.008 0.000 1.325 441 F CB 0.182 39.186 39.000 0.007 0.000 1.134 441 F HN -0.171 nan 8.300 nan 0.000 0.646 442 I N 0.360 121.067 120.570 0.229 0.000 3.419 442 I HA 0.129 4.299 4.170 -0.000 0.000 0.286 442 I C 0.343 176.514 176.117 0.089 0.000 1.268 442 I CA 0.901 62.282 61.300 0.134 0.000 1.414 442 I CB -0.969 37.098 38.000 0.110 0.000 1.074 442 I HN -0.005 nan 8.210 nan 0.000 0.457 443 L N 0.000 121.269 121.223 0.076 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.872 54.840 0.054 0.000 0.813 443 L CB 0.000 42.092 42.059 0.055 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502