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 2ob1_1_C DATA FIRST_RESID 10 DATA SEQUENCE YDALSCKLAA ISVGYLPSSG LQRLSVDLSK KYTEWHRSYL ITLKKFSRRA DATA SEQUENCE FGKVDKAMRS SFPVMNYGTY LRTVGIDAAI LEFLVANEKV QVVNLGCGSD DATA SEQUENCE LRMLPLLQMF PHLAYVDIDY NESVELKNSI LRESEILRIS LGLSKEDTAK DATA SEQUENCE SPFLIDQGRY KLAACDLNDI TETTRLLDVC TKREIPTIVI SECLLCYMHN DATA SEQUENCE NESQLLINTI MSKFSHGLWI SYDPIGGSQP NDRFGAIMQS NLKESRNLEM DATA SEQUENCE PTLMTYNSKE KYASRWSAAP NVIVNDMWEI FNAQIPESER KRLRSLQFLD DATA SEQUENCE ELEELKVMQT HYILMKAQW 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.922 175.900 0.037 0.000 1.272 10 Y CA 0.000 58.134 58.100 0.057 0.000 1.940 10 Y CB 0.000 38.493 38.460 0.055 0.000 1.050 11 D N 1.739 122.227 120.400 0.146 0.000 2.084 11 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 11 D C 2.160 178.502 176.300 0.069 0.000 0.990 11 D CA 2.012 56.069 54.000 0.095 0.000 0.826 11 D CB 0.025 40.879 40.800 0.090 0.000 0.971 11 D HN 0.263 nan 8.370 nan 0.000 0.453 12 A N -0.010 122.852 122.820 0.069 0.000 1.883 12 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 12 A C 2.258 179.860 177.584 0.029 0.000 1.186 12 A CA 1.602 53.664 52.037 0.042 0.000 0.624 12 A CB -1.109 17.918 19.000 0.046 0.000 0.822 12 A HN 0.418 nan 8.150 nan 0.000 0.444 13 L N 0.822 122.085 121.223 0.066 0.000 2.046 13 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 13 L C 2.791 179.694 176.870 0.056 0.000 1.077 13 L CA 2.793 57.675 54.840 0.071 0.000 0.747 13 L CB -0.658 41.494 42.059 0.155 0.000 0.896 13 L HN 0.532 nan 8.230 nan 0.000 0.432 14 S N -1.984 113.750 115.700 0.057 0.000 2.368 14 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 14 S C 2.141 176.729 174.600 -0.021 0.000 1.029 14 S CA 1.155 59.364 58.200 0.016 0.000 0.988 14 S CB -1.510 61.697 63.200 0.011 0.000 0.838 14 S HN 0.565 nan 8.310 nan 0.000 0.462 15 C N 1.817 121.097 119.300 -0.033 0.000 2.432 15 C HA 0.052 4.512 4.460 -0.000 0.000 0.277 15 C C 2.862 177.806 174.990 -0.077 0.000 1.249 15 C CA 1.329 60.300 59.018 -0.078 0.000 1.725 15 C CB -1.063 26.625 27.740 -0.087 0.000 2.028 15 C HN 0.729 nan 8.230 nan 0.000 0.477 16 K N 1.130 121.497 120.400 -0.055 0.000 2.026 16 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 16 K C 1.780 178.339 176.600 -0.068 0.000 1.048 16 K CA 1.609 57.853 56.287 -0.071 0.000 0.929 16 K CB -0.677 31.784 32.500 -0.066 0.000 0.713 16 K HN 0.483 nan 8.250 nan 0.000 0.439 17 L N 0.031 121.238 121.223 -0.027 0.000 2.083 17 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 17 L C 2.496 179.367 176.870 0.001 0.000 1.083 17 L CA 1.220 56.060 54.840 0.001 0.000 0.752 17 L CB -0.713 41.371 42.059 0.041 0.000 0.899 17 L HN 0.280 nan 8.230 nan 0.000 0.433 18 A N 0.258 123.067 122.820 -0.017 0.000 1.877 18 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 18 A C 2.551 180.139 177.584 0.005 0.000 1.186 18 A CA 1.858 53.886 52.037 -0.015 0.000 0.620 18 A CB -0.722 18.245 19.000 -0.055 0.000 0.822 18 A HN 0.399 nan 8.150 nan 0.000 0.443 19 A N -0.176 122.625 122.820 -0.031 0.000 1.933 19 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 19 A C 2.122 179.785 177.584 0.132 0.000 1.175 19 A CA 1.483 53.528 52.037 0.013 0.000 0.628 19 A CB -0.588 18.376 19.000 -0.060 0.000 0.814 19 A HN 0.512 nan 8.150 nan 0.000 0.444 20 I N -0.922 119.687 120.570 0.065 0.000 2.179 20 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 20 I C 2.831 178.995 176.117 0.078 0.000 1.088 20 I CA 1.512 62.858 61.300 0.077 0.000 1.357 20 I CB -0.356 37.656 38.000 0.021 0.000 1.051 20 I HN 0.402 nan 8.210 nan 0.000 0.409 21 S N 0.530 116.269 115.700 0.065 0.000 2.370 21 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 21 S C 2.025 176.665 174.600 0.066 0.000 1.033 21 S CA 1.507 59.743 58.200 0.060 0.000 1.011 21 S CB -0.196 63.034 63.200 0.051 0.000 0.852 21 S HN 0.242 nan 8.310 nan 0.000 0.457 22 V N 0.226 120.203 119.914 0.104 0.000 2.548 22 V HA 0.216 4.336 4.120 -0.000 0.000 0.249 22 V C 1.994 178.107 176.094 0.031 0.000 1.055 22 V CA 1.174 63.539 62.300 0.109 0.000 1.065 22 V CB -0.741 31.226 31.823 0.240 0.000 0.681 22 V HN 0.753 nan 8.190 nan 0.000 0.462 23 G N -2.090 106.748 108.800 0.064 0.000 2.205 23 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.180 23 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.180 23 G C 0.474 175.339 174.900 -0.059 0.000 1.004 23 G CA 0.199 45.286 45.100 -0.022 0.000 0.670 23 G HN 0.388 nan 8.290 nan 0.000 0.496 24 Y N 0.198 120.460 120.300 -0.064 0.000 2.128 24 Y HA 0.184 4.734 4.550 -0.000 0.000 0.284 24 Y C 1.777 177.730 175.900 0.088 0.000 1.154 24 Y CA 1.560 59.621 58.100 -0.064 0.000 1.149 24 Y CB -0.004 38.416 38.460 -0.068 0.000 0.976 24 Y HN 0.287 nan 8.280 nan 0.000 0.505 25 L N 0.844 122.204 121.223 0.228 0.000 2.354 25 L HA 0.403 4.742 4.340 -0.000 0.000 0.269 25 L C -2.421 174.491 176.870 0.071 0.000 1.005 25 L CA -2.474 52.432 54.840 0.111 0.000 0.819 25 L CB 1.972 44.103 42.059 0.121 0.000 1.311 25 L HN -0.231 nan 8.230 nan 0.000 0.423 26 P HA 0.028 nan 4.420 nan 0.000 0.274 26 P C -0.755 176.461 177.300 -0.141 0.000 1.231 26 P CA -0.397 62.498 63.100 -0.341 0.000 0.790 26 P CB 1.345 32.700 31.700 -0.576 0.000 0.951 27 S N 1.084 116.698 115.700 -0.143 0.000 2.464 27 S HA 0.186 4.656 4.470 -0.000 0.000 0.313 27 S C 1.233 175.778 174.600 -0.092 0.000 1.078 27 S CA -0.414 57.765 58.200 -0.035 0.000 1.096 27 S CB -0.736 62.472 63.200 0.014 0.000 1.032 27 S HN 0.298 nan 8.310 nan 0.000 0.498 28 S N 3.868 119.521 115.700 -0.078 0.000 2.400 28 S HA -0.055 4.415 4.470 -0.000 0.000 0.232 28 S C 1.991 176.560 174.600 -0.051 0.000 1.025 28 S CA 1.358 59.511 58.200 -0.078 0.000 0.993 28 S CB -0.427 62.735 63.200 -0.063 0.000 0.808 28 S HN 0.850 nan 8.310 nan 0.000 0.478 29 G N 1.714 110.495 108.800 -0.032 0.000 2.424 29 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.214 29 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.214 29 G C 1.273 176.162 174.900 -0.018 0.000 1.202 29 G CA 0.351 45.440 45.100 -0.019 0.000 0.793 29 G HN 0.439 nan 8.290 nan 0.000 0.534 30 L N -0.090 121.119 121.223 -0.023 0.000 2.201 30 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 30 L C 2.713 179.554 176.870 -0.048 0.000 1.105 30 L CA 0.850 55.669 54.840 -0.035 0.000 0.775 30 L CB -0.239 41.788 42.059 -0.054 0.000 0.913 30 L HN 0.275 nan 8.230 nan 0.000 0.440 31 Q N -0.031 119.727 119.800 -0.070 0.000 2.319 31 Q HA 0.051 4.390 4.340 -0.000 0.000 0.202 31 Q C 0.133 176.125 176.000 -0.013 0.000 0.896 31 Q CA -0.262 55.504 55.803 -0.062 0.000 0.942 31 Q CB 0.382 29.031 28.738 -0.149 0.000 1.083 31 Q HN 0.205 nan 8.270 nan 0.000 0.510 32 R N 1.093 121.587 120.500 -0.009 0.000 3.225 32 R HA -0.187 4.153 4.340 -0.000 0.000 0.245 32 R C -1.557 174.739 176.300 -0.007 0.000 0.928 32 R CA 0.149 56.253 56.100 0.005 0.000 0.632 32 R CB -1.715 28.614 30.300 0.047 0.000 1.038 32 R HN 0.208 nan 8.270 nan 0.000 0.461 33 L N 2.321 123.523 121.223 -0.035 0.000 2.296 33 L HA 0.365 4.705 4.340 -0.000 0.000 0.286 33 L C 1.073 177.918 176.870 -0.042 0.000 1.023 33 L CA -0.556 54.263 54.840 -0.035 0.000 0.812 33 L CB 1.814 43.834 42.059 -0.064 0.000 1.223 33 L HN 0.445 nan 8.230 nan 0.000 0.421 34 S N 1.953 117.630 115.700 -0.039 0.000 2.589 34 S HA 0.024 4.494 4.470 -0.000 0.000 0.256 34 S C 1.349 175.921 174.600 -0.046 0.000 1.383 34 S CA -0.631 57.544 58.200 -0.042 0.000 0.983 34 S CB 0.787 63.961 63.200 -0.044 0.000 0.908 34 S HN 0.339 nan 8.310 nan 0.000 0.572 35 V N 1.198 121.085 119.914 -0.045 0.000 2.282 35 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 35 V C 2.301 178.361 176.094 -0.057 0.000 1.057 35 V CA 2.443 64.714 62.300 -0.048 0.000 1.032 35 V CB -0.977 30.820 31.823 -0.042 0.000 0.645 35 V HN 0.843 nan 8.190 nan 0.000 0.447 36 D N -0.691 119.672 120.400 -0.060 0.000 2.194 36 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 36 D C 1.891 178.127 176.300 -0.108 0.000 0.964 36 D CA 0.714 54.667 54.000 -0.079 0.000 0.846 36 D CB -0.085 40.674 40.800 -0.069 0.000 0.962 36 D HN 0.302 nan 8.370 nan 0.000 0.490 37 L N 0.740 121.916 121.223 -0.078 0.000 2.156 37 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 37 L C 2.151 178.986 176.870 -0.058 0.000 1.095 37 L CA 1.275 56.073 54.840 -0.070 0.000 0.770 37 L CB -0.518 41.543 42.059 0.005 0.000 0.914 37 L HN -0.165 nan 8.230 nan 0.000 0.439 38 S N -0.145 115.525 115.700 -0.051 0.000 2.368 38 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 38 S C 1.910 176.498 174.600 -0.020 0.000 1.030 38 S CA 1.558 59.734 58.200 -0.040 0.000 0.999 38 S CB -0.381 62.782 63.200 -0.063 0.000 0.844 38 S HN 0.514 nan 8.310 nan 0.000 0.459 39 K N 1.675 122.030 120.400 -0.075 0.000 2.032 39 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 39 K C 1.812 178.295 176.600 -0.196 0.000 1.048 39 K CA 1.558 57.783 56.287 -0.102 0.000 0.927 39 K CB -0.278 32.155 32.500 -0.111 0.000 0.712 39 K HN 0.234 nan 8.250 nan 0.000 0.441 40 K N -0.350 119.835 120.400 -0.358 0.000 2.057 40 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 40 K C 2.249 178.331 176.600 -0.864 0.000 1.049 40 K CA 1.658 57.431 56.287 -0.857 0.000 0.931 40 K CB -0.423 31.326 32.500 -1.252 0.000 0.714 40 K HN 0.227 nan 8.250 nan 0.000 0.440 41 Y N 2.179 122.224 120.300 -0.424 0.000 2.081 41 Y HA -0.329 4.221 4.550 -0.000 0.000 0.280 41 Y C 2.320 178.352 175.900 0.219 0.000 1.163 41 Y CA 2.188 60.354 58.100 0.110 0.000 1.135 41 Y CB -0.557 37.981 38.460 0.129 0.000 0.970 41 Y HN 0.001 nan 8.280 nan 0.000 0.498 42 T N 0.356 115.063 114.554 0.254 0.000 2.684 42 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 42 T C 1.584 176.323 174.700 0.065 0.000 1.036 42 T CA 1.919 64.107 62.100 0.148 0.000 1.148 42 T CB -0.325 68.606 68.868 0.105 0.000 0.863 42 T HN 0.488 nan 8.240 nan 0.000 0.436 43 E N -0.125 120.036 120.200 -0.065 0.000 2.077 43 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 43 E C 2.181 178.794 176.600 0.022 0.000 0.989 43 E CA 1.042 57.392 56.400 -0.083 0.000 0.800 43 E CB -0.095 29.476 29.700 -0.216 0.000 0.746 43 E HN 0.544 nan 8.360 nan 0.000 0.452 44 W N 0.484 121.775 121.300 -0.015 0.000 2.358 44 W HA -0.130 4.530 4.660 -0.000 0.000 0.303 44 W C 2.070 178.519 176.519 -0.117 0.000 1.208 44 W CA 1.266 58.550 57.345 -0.102 0.000 1.274 44 W CB -1.135 28.187 29.460 -0.229 0.000 1.138 44 W HN 0.328 nan 8.180 nan 0.000 0.515 45 H N -0.989 118.151 119.070 0.116 0.000 2.395 45 H HA -0.013 4.543 4.556 -0.000 0.000 0.299 45 H C 2.336 177.736 175.328 0.120 0.000 1.070 45 H CA 1.829 57.904 56.048 0.045 0.000 1.356 45 H CB -0.241 29.456 29.762 -0.108 0.000 1.401 45 H HN -0.047 nan 8.280 nan 0.000 0.524 46 R N -0.257 120.371 120.500 0.214 0.000 2.083 46 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 46 R C 2.552 178.949 176.300 0.161 0.000 1.137 46 R CA 1.511 57.708 56.100 0.162 0.000 0.951 46 R CB -0.334 30.030 30.300 0.107 0.000 0.851 46 R HN 0.216 nan 8.270 nan 0.000 0.434 47 S N -0.090 115.703 115.700 0.156 0.000 2.383 47 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 47 S C 1.815 176.499 174.600 0.140 0.000 1.026 47 S CA 0.866 59.144 58.200 0.130 0.000 0.981 47 S CB -0.287 62.994 63.200 0.135 0.000 0.818 47 S HN 0.407 nan 8.310 nan 0.000 0.472 48 Y N 1.454 121.797 120.300 0.072 0.000 2.114 48 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 48 Y C 2.157 178.120 175.900 0.106 0.000 1.165 48 Y CA 2.047 60.183 58.100 0.060 0.000 1.148 48 Y CB -0.510 37.955 38.460 0.008 0.000 0.972 48 Y HN 0.376 nan 8.280 nan 0.000 0.504 49 L N -0.186 121.226 121.223 0.315 0.000 2.017 49 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 49 L C 2.057 179.061 176.870 0.222 0.000 1.073 49 L CA 1.661 56.676 54.840 0.291 0.000 0.745 49 L CB -0.990 41.237 42.059 0.280 0.000 0.894 49 L HN 0.229 nan 8.230 nan 0.000 0.432 50 I N -0.261 120.390 120.570 0.135 0.000 2.264 50 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 50 I C 2.363 178.456 176.117 -0.041 0.000 1.111 50 I CA 1.745 63.057 61.300 0.019 0.000 1.382 50 I CB -1.897 36.112 38.000 0.015 0.000 1.060 50 I HN 0.332 nan 8.210 nan 0.000 0.418 51 T N 1.013 115.560 114.554 -0.012 0.000 2.896 51 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 51 T C 1.934 176.673 174.700 0.064 0.000 1.050 51 T CA 0.635 62.732 62.100 -0.005 0.000 1.140 51 T CB -0.347 68.513 68.868 -0.012 0.000 0.877 51 T HN 0.190 nan 8.240 nan 0.000 0.457 52 L N 1.966 123.197 121.223 0.012 0.000 2.012 52 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 52 L C 2.326 179.254 176.870 0.097 0.000 1.073 52 L CA 1.914 56.804 54.840 0.083 0.000 0.748 52 L CB -0.654 41.477 42.059 0.120 0.000 0.891 52 L HN 0.083 nan 8.230 nan 0.000 0.431 53 K N -0.219 120.193 120.400 0.020 0.000 2.034 53 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 53 K C 2.361 178.837 176.600 -0.208 0.000 1.051 53 K CA 2.271 58.425 56.287 -0.221 0.000 0.931 53 K CB -0.311 31.749 32.500 -0.733 0.000 0.715 53 K HN 0.384 nan 8.250 nan 0.000 0.446 54 K N -0.568 119.691 120.400 -0.234 0.000 2.113 54 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 54 K C 1.761 178.096 176.600 -0.443 0.000 1.047 54 K CA 1.774 57.839 56.287 -0.371 0.000 0.928 54 K CB -0.103 32.103 32.500 -0.489 0.000 0.716 54 K HN 0.135 nan 8.250 nan 0.000 0.446 55 F N -0.627 119.281 119.950 -0.070 0.000 2.619 55 F HA 0.147 4.674 4.527 0.000 0.000 0.293 55 F C 0.672 176.462 175.800 -0.017 0.000 1.119 55 F CA 0.053 58.029 58.000 -0.040 0.000 1.445 55 F CB 0.803 39.779 39.000 -0.040 0.000 1.119 55 F HN -0.174 nan 8.300 nan 0.000 0.573 56 S N -0.429 115.338 115.700 0.112 0.000 2.614 56 S HA 0.241 4.711 4.470 -0.000 0.000 0.259 56 S C 0.620 175.255 174.600 0.060 0.000 1.118 56 S CA -0.789 57.461 58.200 0.083 0.000 1.065 56 S CB 0.658 63.913 63.200 0.091 0.000 1.121 56 S HN 0.233 nan 8.310 nan 0.000 0.458 57 R N 3.591 124.115 120.500 0.042 0.000 2.083 57 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 57 R C 2.240 178.596 176.300 0.094 0.000 1.137 57 R CA 1.904 58.045 56.100 0.067 0.000 0.951 57 R CB -0.253 30.068 30.300 0.035 0.000 0.851 57 R HN 0.720 nan 8.270 nan 0.000 0.434 58 R N 0.010 120.540 120.500 0.050 0.000 2.080 58 R HA -0.149 4.191 4.340 -0.000 0.000 0.236 58 R C 2.132 178.402 176.300 -0.050 0.000 1.137 58 R CA 1.796 57.911 56.100 0.026 0.000 0.943 58 R CB -0.398 29.928 30.300 0.043 0.000 0.846 58 R HN 0.336 nan 8.270 nan 0.000 0.431 59 A N 0.391 123.126 122.820 -0.141 0.000 1.902 59 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 59 A C 2.024 179.405 177.584 -0.339 0.000 1.181 59 A CA 1.326 53.043 52.037 -0.534 0.000 0.623 59 A CB -0.813 17.748 19.000 -0.731 0.000 0.818 59 A HN 0.569 nan 8.150 nan 0.000 0.443 60 F N 1.230 121.051 119.950 -0.214 0.000 2.134 60 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 60 F C 2.256 178.005 175.800 -0.085 0.000 1.097 60 F CA 1.527 59.455 58.000 -0.121 0.000 1.264 60 F CB -0.669 38.291 39.000 -0.067 0.000 1.001 60 F HN 0.194 nan 8.300 nan 0.000 0.479 61 G N 0.476 109.239 108.800 -0.062 0.000 2.440 61 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 61 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 61 G C 1.740 176.536 174.900 -0.173 0.000 1.154 61 G CA 0.942 45.967 45.100 -0.125 0.000 0.767 61 G HN 0.360 nan 8.290 nan 0.000 0.552 62 K N -0.070 120.246 120.400 -0.140 0.000 2.026 62 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 62 K C 2.601 179.129 176.600 -0.119 0.000 1.048 62 K CA 1.208 57.441 56.287 -0.090 0.000 0.929 62 K CB -0.380 32.101 32.500 -0.031 0.000 0.713 62 K HN 0.222 nan 8.250 nan 0.000 0.439 63 V N 1.788 121.583 119.914 -0.199 0.000 2.295 63 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 63 V C 2.048 178.001 176.094 -0.236 0.000 1.049 63 V CA 2.200 64.398 62.300 -0.170 0.000 1.024 63 V CB -0.530 31.204 31.823 -0.149 0.000 0.648 63 V HN 0.373 nan 8.190 nan 0.000 0.447 64 D N 0.094 120.228 120.400 -0.444 0.000 2.104 64 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 64 D C 2.182 178.363 176.300 -0.198 0.000 0.994 64 D CA 1.570 55.317 54.000 -0.422 0.000 0.830 64 D CB -0.105 40.283 40.800 -0.687 0.000 0.959 64 D HN 0.365 nan 8.370 nan 0.000 0.452 65 K N -0.244 120.062 120.400 -0.156 0.000 2.097 65 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 65 K C 2.151 178.724 176.600 -0.045 0.000 1.050 65 K CA 1.103 57.346 56.287 -0.073 0.000 0.938 65 K CB -0.124 32.347 32.500 -0.048 0.000 0.718 65 K HN 0.148 nan 8.250 nan 0.000 0.442 66 A N 0.925 123.715 122.820 -0.050 0.000 1.969 66 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 66 A C 2.070 179.630 177.584 -0.039 0.000 1.169 66 A CA 1.282 53.302 52.037 -0.029 0.000 0.635 66 A CB -0.395 18.595 19.000 -0.016 0.000 0.810 66 A HN 0.174 nan 8.150 nan 0.000 0.445 67 M N -0.923 118.646 119.600 -0.052 0.000 2.132 67 M HA -0.131 4.348 4.480 -0.000 0.000 0.263 67 M C 2.253 178.542 176.300 -0.019 0.000 1.065 67 M CA 1.395 56.671 55.300 -0.041 0.000 1.122 67 M CB -0.268 32.304 32.600 -0.046 0.000 1.365 67 M HN 0.337 nan 8.290 nan 0.000 0.411 68 R N -0.235 120.255 120.500 -0.017 0.000 2.189 68 R HA -0.047 4.293 4.340 -0.000 0.000 0.218 68 R C 2.051 178.370 176.300 0.033 0.000 1.074 68 R CA 1.590 57.695 56.100 0.009 0.000 0.991 68 R CB -0.335 29.967 30.300 0.004 0.000 0.883 68 R HN 0.417 nan 8.270 nan 0.000 0.457 69 S N 0.058 115.776 115.700 0.030 0.000 2.540 69 S HA 0.024 4.494 4.470 -0.000 0.000 0.218 69 S C 0.700 175.350 174.600 0.083 0.000 0.977 69 S CA -0.489 57.753 58.200 0.069 0.000 0.918 69 S CB 0.205 63.445 63.200 0.067 0.000 0.806 69 S HN 0.181 nan 8.310 nan 0.000 0.496 70 S N 2.031 117.737 115.700 0.011 0.000 2.549 70 S HA 0.491 4.961 4.470 -0.000 0.000 0.283 70 S C -0.151 174.460 174.600 0.019 0.000 1.320 70 S CA -0.831 57.314 58.200 -0.092 0.000 1.058 70 S CB -0.438 62.695 63.200 -0.112 0.000 0.882 70 S HN 0.494 nan 8.310 nan 0.000 0.498 71 F N 0.332 120.298 119.950 0.027 0.000 2.523 71 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 71 F C -2.323 173.513 175.800 0.059 0.000 1.061 71 F CA -3.264 54.766 58.000 0.050 0.000 0.967 71 F CB -0.131 38.899 39.000 0.050 0.000 1.218 71 F HN 0.280 nan 8.300 nan 0.000 0.480 72 P HA -0.214 nan 4.420 nan 0.000 0.216 72 P C 1.858 179.369 177.300 0.351 0.000 1.157 72 P CA 1.899 65.213 63.100 0.358 0.000 0.880 72 P CB 0.047 31.978 31.700 0.384 0.000 0.791 73 V N -0.551 119.623 119.914 0.434 0.000 2.392 73 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 73 V C 2.461 178.632 176.094 0.128 0.000 1.059 73 V CA 2.149 64.627 62.300 0.297 0.000 1.051 73 V CB -1.101 30.951 31.823 0.383 0.000 0.658 73 V HN 0.199 nan 8.190 nan 0.000 0.455 74 M N 0.256 119.776 119.600 -0.134 0.000 2.132 74 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 74 M C 2.053 178.191 176.300 -0.270 0.000 1.065 74 M CA 1.913 57.002 55.300 -0.351 0.000 1.122 74 M CB -0.353 31.767 32.600 -0.799 0.000 1.365 74 M HN 0.344 nan 8.290 nan 0.000 0.411 75 N N 0.074 118.580 118.700 -0.322 0.000 2.120 75 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 75 N C 1.494 176.591 175.510 -0.688 0.000 1.024 75 N CA 1.566 54.238 53.050 -0.630 0.000 0.852 75 N CB -0.767 37.144 38.487 -0.959 0.000 1.003 75 N HN 0.499 nan 8.380 nan 0.000 0.424 76 Y N 1.211 121.237 120.300 -0.457 0.000 2.165 76 Y HA -0.121 4.429 4.550 -0.000 0.000 0.286 76 Y C 2.603 178.446 175.900 -0.096 0.000 1.155 76 Y CA 1.543 59.525 58.100 -0.197 0.000 1.164 76 Y CB -0.803 37.566 38.460 -0.152 0.000 0.978 76 Y HN 0.098 nan 8.280 nan 0.000 0.513 77 G N -1.230 107.589 108.800 0.031 0.000 2.446 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 77 G C 1.730 176.586 174.900 -0.073 0.000 1.168 77 G CA 1.719 46.803 45.100 -0.027 0.000 0.771 77 G HN 0.347 nan 8.290 nan 0.000 0.551 78 T N -0.318 114.158 114.554 -0.130 0.000 2.777 78 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 78 T C 1.956 176.603 174.700 -0.089 0.000 1.040 78 T CA 1.266 63.279 62.100 -0.146 0.000 1.141 78 T CB -0.330 68.437 68.868 -0.168 0.000 0.868 78 T HN 0.410 nan 8.240 nan 0.000 0.444 79 Y N 1.722 121.917 120.300 -0.176 0.000 2.145 79 Y HA -0.077 4.473 4.550 -0.000 0.000 0.286 79 Y C 1.973 177.852 175.900 -0.035 0.000 1.145 79 Y CA 1.169 59.218 58.100 -0.085 0.000 1.148 79 Y CB -0.466 37.966 38.460 -0.047 0.000 0.981 79 Y HN 0.100 nan 8.280 nan 0.000 0.507 80 L N 0.057 121.340 121.223 0.101 0.000 2.027 80 L HA -0.209 4.131 4.340 -0.000 0.000 0.206 80 L C 2.788 179.631 176.870 -0.046 0.000 1.074 80 L CA 1.734 56.620 54.840 0.077 0.000 0.745 80 L CB -0.634 41.558 42.059 0.221 0.000 0.898 80 L HN 0.180 nan 8.230 nan 0.000 0.433 81 R N -0.235 120.204 120.500 -0.101 0.000 2.112 81 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 81 R C 2.166 178.277 176.300 -0.314 0.000 1.137 81 R CA 2.497 58.377 56.100 -0.367 0.000 0.944 81 R CB -0.422 29.491 30.300 -0.646 0.000 0.857 81 R HN 0.272 nan 8.270 nan 0.000 0.435 82 T N 0.589 114.989 114.554 -0.257 0.000 2.770 82 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 82 T C 1.819 176.400 174.700 -0.199 0.000 1.039 82 T CA 1.452 63.434 62.100 -0.197 0.000 1.142 82 T CB -0.203 68.577 68.868 -0.147 0.000 0.868 82 T HN 0.374 nan 8.240 nan 0.000 0.435 83 V N 0.564 120.289 119.914 -0.315 0.000 2.548 83 V HA 0.157 4.277 4.120 -0.000 0.000 0.249 83 V C 2.523 178.525 176.094 -0.154 0.000 1.055 83 V CA 1.641 63.766 62.300 -0.292 0.000 1.065 83 V CB -1.569 29.952 31.823 -0.504 0.000 0.681 83 V HN 0.424 nan 8.190 nan 0.000 0.462 84 G N 0.913 109.644 108.800 -0.115 0.000 2.433 84 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 84 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 84 G C 1.544 176.430 174.900 -0.024 0.000 1.186 84 G CA 1.411 46.492 45.100 -0.031 0.000 0.779 84 G HN 0.537 nan 8.290 nan 0.000 0.543 85 I N 1.047 121.591 120.570 -0.042 0.000 2.127 85 I HA -0.156 4.014 4.170 -0.000 0.000 0.241 85 I C 2.372 178.474 176.117 -0.025 0.000 1.075 85 I CA 1.386 62.669 61.300 -0.028 0.000 1.334 85 I CB -0.271 37.702 38.000 -0.044 0.000 1.040 85 I HN 0.058 nan 8.210 nan 0.000 0.405 86 D N 1.137 121.517 120.400 -0.034 0.000 2.117 86 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 86 D C 2.268 178.563 176.300 -0.008 0.000 0.987 86 D CA 1.630 55.623 54.000 -0.012 0.000 0.829 86 D CB -0.288 40.502 40.800 -0.016 0.000 0.961 86 D HN 0.361 nan 8.370 nan 0.000 0.460 87 A N 1.135 123.942 122.820 -0.022 0.000 1.908 87 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 87 A C 2.334 179.921 177.584 0.005 0.000 1.181 87 A CA 2.394 54.426 52.037 -0.008 0.000 0.627 87 A CB -0.755 18.236 19.000 -0.016 0.000 0.818 87 A HN 0.246 nan 8.150 nan 0.000 0.445 88 A N 0.015 122.835 122.820 0.001 0.000 1.902 88 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 88 A C 2.124 179.710 177.584 0.003 0.000 1.181 88 A CA 1.537 53.578 52.037 0.005 0.000 0.623 88 A CB -0.629 18.368 19.000 -0.005 0.000 0.818 88 A HN 0.518 nan 8.150 nan 0.000 0.443 89 I N -0.464 120.095 120.570 -0.019 0.000 2.163 89 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 89 I C 2.378 178.477 176.117 -0.030 0.000 1.085 89 I CA 1.323 62.600 61.300 -0.037 0.000 1.347 89 I CB -0.425 37.552 38.000 -0.038 0.000 1.044 89 I HN 0.281 nan 8.210 nan 0.000 0.408 90 L N 0.256 121.474 121.223 -0.008 0.000 2.093 90 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 90 L C 2.596 179.472 176.870 0.011 0.000 1.085 90 L CA 1.232 56.076 54.840 0.006 0.000 0.755 90 L CB -0.538 41.570 42.059 0.082 0.000 0.904 90 L HN 0.288 nan 8.230 nan 0.000 0.435 91 E N 0.219 120.437 120.200 0.029 0.000 2.031 91 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 91 E C 2.142 178.760 176.600 0.030 0.000 0.994 91 E CA 1.450 57.869 56.400 0.031 0.000 0.800 91 E CB -0.138 29.587 29.700 0.041 0.000 0.752 91 E HN 0.365 nan 8.360 nan 0.000 0.447 92 F N 1.007 120.894 119.950 -0.104 0.000 2.202 92 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 92 F C 1.859 177.564 175.800 -0.158 0.000 1.082 92 F CA 1.151 59.074 58.000 -0.129 0.000 1.313 92 F CB 0.038 38.948 39.000 -0.150 0.000 1.024 92 F HN 0.025 nan 8.300 nan 0.000 0.495 93 L N -1.195 119.973 121.223 -0.092 0.000 2.156 93 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 93 L C 2.335 179.119 176.870 -0.145 0.000 1.095 93 L CA 0.433 55.115 54.840 -0.264 0.000 0.770 93 L CB -0.683 40.940 42.059 -0.727 0.000 0.914 93 L HN -0.026 nan 8.230 nan 0.000 0.439 94 V N 0.380 120.253 119.914 -0.068 0.000 2.252 94 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 94 V C 2.613 178.655 176.094 -0.086 0.000 1.056 94 V CA 2.178 64.467 62.300 -0.019 0.000 1.022 94 V CB -0.741 31.080 31.823 -0.004 0.000 0.641 94 V HN 0.523 nan 8.190 nan 0.000 0.445 95 A N -0.821 121.891 122.820 -0.180 0.000 2.123 95 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 95 A C 0.957 178.352 177.584 -0.315 0.000 1.152 95 A CA 0.566 52.460 52.037 -0.237 0.000 0.728 95 A CB -0.163 18.671 19.000 -0.276 0.000 0.814 95 A HN 0.630 nan 8.150 nan 0.000 0.464 96 N N 0.082 118.555 118.700 -0.379 0.000 2.664 96 N HA 0.140 4.880 4.740 -0.000 0.000 0.257 96 N C -0.302 175.107 175.510 -0.167 0.000 1.108 96 N CA -0.191 52.644 53.050 -0.358 0.000 0.822 96 N CB 1.359 39.443 38.487 -0.672 0.000 1.199 96 N HN 0.345 nan 8.380 nan 0.000 0.529 97 E N 1.253 121.416 120.200 -0.062 0.000 2.023 97 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 97 E C 0.447 177.105 176.600 0.097 0.000 1.003 97 E CA 1.170 57.606 56.400 0.061 0.000 0.809 97 E CB 0.316 30.071 29.700 0.091 0.000 0.755 97 E HN 0.277 nan 8.360 nan 0.000 0.449 98 K N 1.480 121.905 120.400 0.041 0.000 2.267 98 K HA 0.187 4.507 4.320 -0.000 0.000 0.282 98 K C -0.851 175.772 176.600 0.038 0.000 1.078 98 K CA -0.178 56.144 56.287 0.057 0.000 0.903 98 K CB 0.676 33.173 32.500 -0.006 0.000 1.111 98 K HN -0.080 nan 8.250 nan 0.000 0.475 99 V N 1.162 121.111 119.914 0.058 0.000 3.078 99 V HA 0.494 4.614 4.120 -0.000 0.000 0.311 99 V C -1.218 174.883 176.094 0.011 0.000 1.138 99 V CA -1.177 61.150 62.300 0.044 0.000 1.007 99 V CB 1.756 33.617 31.823 0.064 0.000 1.045 99 V HN 0.782 nan 8.190 nan 0.000 0.432 100 Q N 1.193 120.959 119.800 -0.056 0.000 2.337 100 Q HA 0.829 5.169 4.340 -0.000 0.000 0.266 100 Q C -1.602 174.262 176.000 -0.226 0.000 1.023 100 Q CA -0.838 54.898 55.803 -0.111 0.000 0.829 100 Q CB 2.492 31.160 28.738 -0.116 0.000 1.306 100 Q HN 0.609 nan 8.270 nan 0.000 0.449 101 V N 2.532 122.291 119.914 -0.259 0.000 2.398 101 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 101 V C -0.382 175.367 176.094 -0.575 0.000 1.026 101 V CA -0.756 61.274 62.300 -0.450 0.000 0.868 101 V CB 1.688 33.213 31.823 -0.496 0.000 0.982 101 V HN 0.677 nan 8.190 nan 0.000 0.443 102 V N 4.476 124.076 119.914 -0.522 0.000 2.334 102 V HA 0.400 4.520 4.120 -0.000 0.000 0.281 102 V C -0.029 175.820 176.094 -0.407 0.000 1.016 102 V CA -0.603 61.441 62.300 -0.425 0.000 0.832 102 V CB 1.485 33.110 31.823 -0.331 0.000 0.999 102 V HN 0.848 nan 8.190 nan 0.000 0.439 103 N N 5.646 124.131 118.700 -0.358 0.000 2.485 103 N HA 0.396 5.136 4.740 -0.000 0.000 0.243 103 N C -0.853 174.612 175.510 -0.075 0.000 0.987 103 N CA -0.298 52.633 53.050 -0.199 0.000 0.940 103 N CB 1.014 39.452 38.487 -0.082 0.000 1.122 103 N HN 0.608 nan 8.380 nan 0.000 0.509 104 L N 2.273 123.461 121.223 -0.059 0.000 2.265 104 L HA 0.400 4.740 4.340 -0.000 0.000 0.288 104 L C 1.258 178.173 176.870 0.076 0.000 1.058 104 L CA -0.631 54.218 54.840 0.015 0.000 0.809 104 L CB 1.119 43.199 42.059 0.035 0.000 1.179 104 L HN 0.740 nan 8.230 nan 0.000 0.429 105 G N 2.156 111.003 108.800 0.078 0.000 2.324 105 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 105 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 105 G C 0.840 175.779 174.900 0.065 0.000 1.079 105 G CA 0.138 45.294 45.100 0.093 0.000 1.026 105 G HN 0.982 nan 8.290 nan 0.000 0.506 106 C N -0.982 118.342 119.300 0.039 0.000 2.435 106 C HA 0.436 4.896 4.460 -0.000 0.000 0.279 106 C C 2.827 177.828 174.990 0.018 0.000 1.321 106 C CA 0.759 59.808 59.018 0.052 0.000 1.752 106 C CB -1.257 26.539 27.740 0.093 0.000 1.959 106 C HN 2.473 nan 8.230 nan 0.000 0.500 107 G N 1.025 109.809 108.800 -0.027 0.000 2.634 107 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.309 107 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.309 107 G C 0.827 175.708 174.900 -0.032 0.000 1.265 107 G CA 0.846 45.916 45.100 -0.049 0.000 0.998 107 G HN 0.882 nan 8.290 nan 0.000 0.551 108 S N 1.291 116.955 115.700 -0.061 0.000 2.634 108 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 108 S C 0.537 174.926 174.600 -0.351 0.000 0.952 108 S CA 0.503 58.565 58.200 -0.230 0.000 0.930 108 S CB 0.059 63.108 63.200 -0.253 0.000 0.780 108 S HN 0.675 nan 8.310 nan 0.000 0.498 109 D N 1.783 122.088 120.400 -0.158 0.000 2.493 109 D HA 0.013 4.653 4.640 -0.000 0.000 0.240 109 D C 0.330 176.499 176.300 -0.219 0.000 1.142 109 D CA 0.387 54.315 54.000 -0.121 0.000 0.872 109 D CB 0.443 41.241 40.800 -0.004 0.000 1.173 109 D HN 0.198 nan 8.370 nan 0.000 0.467 110 L N 4.348 125.409 121.223 -0.269 0.000 2.965 110 L HA 0.187 4.527 4.340 -0.000 0.000 0.254 110 L C 1.995 178.670 176.870 -0.324 0.000 1.220 110 L CA -0.270 54.321 54.840 -0.415 0.000 1.023 110 L CB 0.029 41.686 42.059 -0.670 0.000 1.355 110 L HN 0.368 nan 8.230 nan 0.000 0.545 111 R N 0.419 120.816 120.500 -0.171 0.000 2.189 111 R HA -0.116 4.224 4.340 -0.000 0.000 0.223 111 R C 2.153 178.293 176.300 -0.266 0.000 1.092 111 R CA 0.867 56.925 56.100 -0.070 0.000 0.989 111 R CB -0.384 29.965 30.300 0.082 0.000 0.876 111 R HN 0.343 nan 8.270 nan 0.000 0.457 112 M N 1.050 120.227 119.600 -0.705 0.000 2.358 112 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 112 M C 1.565 177.496 176.300 -0.614 0.000 1.064 112 M CA 1.632 56.322 55.300 -1.016 0.000 1.093 112 M CB -0.794 30.785 32.600 -1.701 0.000 1.401 112 M HN 0.228 nan 8.290 nan 0.000 0.440 113 L N 0.560 121.406 121.223 -0.629 0.000 2.005 113 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 113 L C -0.162 176.495 176.870 -0.355 0.000 1.072 113 L CA 1.171 55.544 54.840 -0.777 0.000 0.744 113 L CB -2.597 38.528 42.059 -1.556 0.000 0.895 113 L HN 0.214 nan 8.230 nan 0.000 0.433 114 P HA -0.143 nan 4.420 nan 0.000 0.217 114 P C 1.999 179.379 177.300 0.133 0.000 1.150 114 P CA 1.319 64.551 63.100 0.220 0.000 0.832 114 P CB 0.059 31.945 31.700 0.310 0.000 0.787 115 L N -1.330 119.964 121.223 0.119 0.000 2.017 115 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 115 L C 2.487 179.493 176.870 0.227 0.000 1.073 115 L CA 1.470 56.464 54.840 0.256 0.000 0.745 115 L CB -1.086 41.091 42.059 0.197 0.000 0.894 115 L HN -0.060 nan 8.230 nan 0.000 0.432 116 L N -0.930 120.318 121.223 0.041 0.000 2.201 116 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 116 L C 2.620 179.492 176.870 0.004 0.000 1.105 116 L CA 1.074 55.925 54.840 0.018 0.000 0.775 116 L CB -0.391 41.616 42.059 -0.087 0.000 0.913 116 L HN 0.332 nan 8.230 nan 0.000 0.440 117 Q N -0.744 119.053 119.800 -0.003 0.000 2.096 117 Q HA -0.096 4.244 4.340 -0.000 0.000 0.197 117 Q C 2.299 178.250 176.000 -0.082 0.000 0.964 117 Q CA 1.245 57.043 55.803 -0.009 0.000 0.838 117 Q CB 0.037 28.814 28.738 0.064 0.000 0.906 117 Q HN 0.514 nan 8.270 nan 0.000 0.444 118 M N -0.688 118.828 119.600 -0.141 0.000 2.349 118 M HA 0.011 4.491 4.480 -0.000 0.000 0.266 118 M C -0.370 175.480 176.300 -0.749 0.000 1.076 118 M CA 0.793 55.805 55.300 -0.481 0.000 1.126 118 M CB 0.558 32.761 32.600 -0.662 0.000 1.392 118 M HN -0.021 nan 8.290 nan 0.000 0.440 119 F N -0.369 119.573 119.950 -0.014 0.000 2.434 119 F HA 0.337 4.864 4.527 -0.000 0.000 0.367 119 F C -1.966 173.793 175.800 -0.067 0.000 1.093 119 F CA -2.304 55.683 58.000 -0.022 0.000 1.085 119 F CB 0.421 39.434 39.000 0.022 0.000 1.322 119 F HN -0.160 nan 8.300 nan 0.000 0.452 120 P HA -0.131 nan 4.420 nan 0.000 0.222 120 P C 0.784 177.937 177.300 -0.244 0.000 1.147 120 P CA 1.432 64.392 63.100 -0.233 0.000 0.790 120 P CB 0.128 31.561 31.700 -0.445 0.000 0.780 121 H N -1.513 117.623 119.070 0.110 0.000 2.505 121 H HA 0.293 4.849 4.556 -0.000 0.000 0.289 121 H C 0.440 175.821 175.328 0.089 0.000 1.052 121 H CA -0.519 55.579 56.048 0.083 0.000 1.156 121 H CB -0.215 29.587 29.762 0.066 0.000 1.507 121 H HN 0.186 nan 8.280 nan 0.000 0.548 122 L N 1.231 122.566 121.223 0.186 0.000 2.289 122 L HA 0.615 4.955 4.340 -0.000 0.000 0.285 122 L C -0.300 176.652 176.870 0.137 0.000 1.049 122 L CA -0.601 54.330 54.840 0.153 0.000 0.804 122 L CB 0.802 42.968 42.059 0.179 0.000 1.195 122 L HN 0.037 nan 8.230 nan 0.000 0.428 123 A N 4.688 127.574 122.820 0.110 0.000 2.340 123 A HA 0.591 4.911 4.320 -0.000 0.000 0.331 123 A C -1.842 175.829 177.584 0.145 0.000 1.140 123 A CA -0.421 51.684 52.037 0.114 0.000 0.801 123 A CB 1.045 20.082 19.000 0.063 0.000 1.234 123 A HN 0.758 nan 8.150 nan 0.000 0.469 124 Y N 0.961 121.285 120.300 0.040 0.000 2.442 124 Y HA 0.560 5.110 4.550 -0.000 0.000 0.344 124 Y C -1.137 174.785 175.900 0.036 0.000 0.976 124 Y CA -0.603 57.532 58.100 0.059 0.000 1.040 124 Y CB 2.201 40.741 38.460 0.135 0.000 1.228 124 Y HN 0.499 nan 8.280 nan 0.000 0.451 125 V N 5.184 125.068 119.914 -0.049 0.000 2.483 125 V HA 0.293 4.413 4.120 -0.000 0.000 0.297 125 V C -1.162 174.919 176.094 -0.022 0.000 1.027 125 V CA -0.807 61.471 62.300 -0.037 0.000 0.855 125 V CB 1.606 33.388 31.823 -0.068 0.000 0.995 125 V HN 0.674 nan 8.190 nan 0.000 0.424 126 D N 4.407 124.855 120.400 0.080 0.000 2.280 126 D HA 0.632 5.272 4.640 -0.000 0.000 0.236 126 D C -0.594 175.730 176.300 0.041 0.000 1.082 126 D CA 0.072 54.157 54.000 0.141 0.000 0.834 126 D CB 1.630 42.581 40.800 0.252 0.000 1.100 126 D HN 0.390 nan 8.370 nan 0.000 0.486 127 I N 2.208 122.795 120.570 0.027 0.000 2.498 127 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 127 I C -0.170 175.950 176.117 0.006 0.000 1.032 127 I CA -0.658 60.650 61.300 0.014 0.000 1.073 127 I CB 2.109 40.119 38.000 0.017 0.000 1.251 127 I HN 0.121 nan 8.210 nan 0.000 0.426 128 D N 2.862 123.247 120.400 -0.025 0.000 2.665 128 D HA 0.264 4.904 4.640 -0.000 0.000 0.287 128 D C -1.138 175.123 176.300 -0.066 0.000 1.266 128 D CA -0.365 53.592 54.000 -0.072 0.000 0.830 128 D CB 1.564 42.237 40.800 -0.211 0.000 1.356 128 D HN 0.299 nan 8.370 nan 0.000 0.437 129 Y N 0.373 120.678 120.300 0.008 0.000 2.459 129 Y HA 0.207 4.757 4.550 -0.000 0.000 0.349 129 Y C 1.576 177.474 175.900 -0.003 0.000 1.266 129 Y CA -0.202 57.898 58.100 -0.000 0.000 1.483 129 Y CB 0.009 38.466 38.460 -0.006 0.000 1.362 129 Y HN 0.329 nan 8.280 nan 0.000 0.628 130 N N 0.749 119.567 118.700 0.197 0.000 2.069 130 N HA -0.253 4.487 4.740 -0.000 0.000 0.191 130 N C 1.205 176.745 175.510 0.050 0.000 1.031 130 N CA 2.143 55.242 53.050 0.082 0.000 0.852 130 N CB -0.000 38.538 38.487 0.085 0.000 1.018 130 N HN 0.874 nan 8.380 nan 0.000 0.423 131 E N 0.344 120.651 120.200 0.178 0.000 2.077 131 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 131 E C 2.228 178.810 176.600 -0.029 0.000 0.989 131 E CA 1.132 57.616 56.400 0.140 0.000 0.800 131 E CB -0.224 29.662 29.700 0.310 0.000 0.746 131 E HN 0.282 nan 8.360 nan 0.000 0.452 132 S N 0.071 115.553 115.700 -0.364 0.000 2.338 132 S HA -0.160 4.310 4.470 -0.000 0.000 0.218 132 S C 2.294 176.768 174.600 -0.211 0.000 1.032 132 S CA 1.348 59.292 58.200 -0.427 0.000 0.999 132 S CB -0.552 62.124 63.200 -0.873 0.000 0.905 132 S HN 0.347 nan 8.310 nan 0.000 0.439 133 V N 1.083 120.875 119.914 -0.204 0.000 2.392 133 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 133 V C 2.064 178.119 176.094 -0.065 0.000 1.059 133 V CA 1.670 63.913 62.300 -0.095 0.000 1.051 133 V CB -0.754 31.027 31.823 -0.071 0.000 0.658 133 V HN 0.273 nan 8.190 nan 0.000 0.455 134 E N 0.421 120.582 120.200 -0.064 0.000 2.077 134 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 134 E C 2.130 178.662 176.600 -0.112 0.000 0.989 134 E CA 1.704 58.066 56.400 -0.065 0.000 0.800 134 E CB -0.370 29.309 29.700 -0.036 0.000 0.746 134 E HN 0.619 nan 8.360 nan 0.000 0.452 135 L N 1.731 122.899 121.223 -0.093 0.000 2.056 135 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 135 L C 2.319 179.096 176.870 -0.156 0.000 1.078 135 L CA 1.850 56.611 54.840 -0.133 0.000 0.749 135 L CB -0.428 41.627 42.059 -0.006 0.000 0.901 135 L HN -0.062 nan 8.230 nan 0.000 0.433 136 K N -0.488 119.885 120.400 -0.045 0.000 2.032 136 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 136 K C 2.096 178.670 176.600 -0.044 0.000 1.048 136 K CA 1.744 58.048 56.287 0.028 0.000 0.927 136 K CB -0.258 32.301 32.500 0.098 0.000 0.712 136 K HN 0.459 nan 8.250 nan 0.000 0.441 137 N N 0.149 118.812 118.700 -0.061 0.000 2.061 137 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 137 N C 1.547 176.964 175.510 -0.155 0.000 1.030 137 N CA 2.150 55.162 53.050 -0.063 0.000 0.856 137 N CB -0.266 38.190 38.487 -0.052 0.000 1.023 137 N HN 0.068 nan 8.380 nan 0.000 0.424 138 S N -0.224 115.291 115.700 -0.308 0.000 2.356 138 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 138 S C 1.964 176.229 174.600 -0.559 0.000 1.032 138 S CA 1.170 59.018 58.200 -0.587 0.000 1.005 138 S CB -0.332 62.175 63.200 -1.156 0.000 0.867 138 S HN 0.354 nan 8.310 nan 0.000 0.449 139 I N 1.315 121.589 120.570 -0.495 0.000 2.179 139 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 139 I C 2.038 178.060 176.117 -0.160 0.000 1.088 139 I CA 1.095 62.207 61.300 -0.313 0.000 1.357 139 I CB -0.368 37.294 38.000 -0.563 0.000 1.051 139 I HN 0.232 nan 8.210 nan 0.000 0.409 140 L N 0.065 121.220 121.223 -0.114 0.000 2.083 140 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 140 L C 2.680 179.532 176.870 -0.030 0.000 1.083 140 L CA 1.415 56.228 54.840 -0.046 0.000 0.752 140 L CB -0.577 41.477 42.059 -0.009 0.000 0.899 140 L HN 0.201 nan 8.230 nan 0.000 0.433 141 R N -0.393 120.089 120.500 -0.029 0.000 2.153 141 R HA -0.134 4.206 4.340 -0.000 0.000 0.218 141 R C 2.147 178.469 176.300 0.036 0.000 1.072 141 R CA 0.919 57.020 56.100 0.001 0.000 0.990 141 R CB -0.021 30.277 30.300 -0.003 0.000 0.889 141 R HN 0.248 nan 8.270 nan 0.000 0.452 142 E N 1.141 121.385 120.200 0.073 0.000 2.076 142 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 142 E C 0.334 176.980 176.600 0.078 0.000 0.979 142 E CA 0.533 57.016 56.400 0.138 0.000 0.807 142 E CB 0.077 29.995 29.700 0.364 0.000 0.761 142 E HN 0.017 nan 8.360 nan 0.000 0.454 143 S N 0.485 116.218 115.700 0.054 0.000 2.498 143 S HA -0.025 4.444 4.470 -0.000 0.000 0.281 143 S C 1.017 175.642 174.600 0.042 0.000 1.265 143 S CA 0.111 58.335 58.200 0.041 0.000 1.071 143 S CB 0.551 63.771 63.200 0.033 0.000 0.894 143 S HN 0.408 nan 8.310 nan 0.000 0.491 144 E N 4.290 124.515 120.200 0.042 0.000 2.038 144 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 144 E C 1.753 178.391 176.600 0.064 0.000 1.000 144 E CA 1.625 58.050 56.400 0.042 0.000 0.803 144 E CB -0.165 29.554 29.700 0.033 0.000 0.750 144 E HN 0.916 nan 8.360 nan 0.000 0.448 145 I N 0.495 121.121 120.570 0.095 0.000 2.286 145 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 145 I C 2.078 178.322 176.117 0.212 0.000 1.115 145 I CA 0.958 62.358 61.300 0.167 0.000 1.392 145 I CB 0.085 38.197 38.000 0.186 0.000 1.065 145 I HN 0.222 nan 8.210 nan 0.000 0.418 146 L N 0.054 121.349 121.223 0.121 0.000 2.068 146 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 146 L C 2.741 179.570 176.870 -0.068 0.000 1.076 146 L CA 1.015 55.835 54.840 -0.033 0.000 0.753 146 L CB -0.718 41.316 42.059 -0.043 0.000 0.910 146 L HN 0.172 nan 8.230 nan 0.000 0.439 147 R N 0.899 121.390 120.500 -0.015 0.000 2.094 147 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 147 R C 2.315 178.609 176.300 -0.009 0.000 1.137 147 R CA 1.888 57.981 56.100 -0.012 0.000 0.943 147 R CB -0.335 29.971 30.300 0.011 0.000 0.850 147 R HN 0.274 nan 8.270 nan 0.000 0.433 148 I N 0.109 120.691 120.570 0.020 0.000 2.179 148 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 148 I C 2.430 178.561 176.117 0.023 0.000 1.088 148 I CA 1.218 62.536 61.300 0.031 0.000 1.357 148 I CB -0.354 37.678 38.000 0.053 0.000 1.051 148 I HN 0.205 nan 8.210 nan 0.000 0.409 149 S N 0.932 116.652 115.700 0.033 0.000 2.359 149 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 149 S C 1.844 176.379 174.600 -0.107 0.000 1.039 149 S CA 1.518 59.710 58.200 -0.014 0.000 1.042 149 S CB -0.369 62.750 63.200 -0.135 0.000 0.915 149 S HN 0.345 nan 8.310 nan 0.000 0.439 150 L N 0.707 121.838 121.223 -0.155 0.000 2.599 150 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 150 L C 1.426 178.265 176.870 -0.052 0.000 1.141 150 L CA 0.285 55.038 54.840 -0.145 0.000 0.877 150 L CB -0.590 41.361 42.059 -0.180 0.000 1.009 150 L HN 0.514 nan 8.230 nan 0.000 0.447 151 G N 0.959 109.740 108.800 -0.031 0.000 2.273 151 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 151 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 151 G C 0.060 174.960 174.900 0.000 0.000 1.047 151 G CA 0.054 45.149 45.100 -0.009 0.000 0.869 151 G HN 0.251 nan 8.290 nan 0.000 0.502 152 L N 0.232 121.455 121.223 -0.000 0.000 2.416 152 L HA 0.684 5.024 4.340 -0.000 0.000 0.262 152 L C 1.216 178.092 176.870 0.011 0.000 1.093 152 L CA -0.378 54.468 54.840 0.009 0.000 0.801 152 L CB 1.544 43.610 42.059 0.012 0.000 1.191 152 L HN 0.413 nan 8.230 nan 0.000 0.459 153 S N -0.617 115.091 115.700 0.014 0.000 2.617 153 S HA 0.271 4.741 4.470 -0.000 0.000 0.283 153 S C 0.535 175.145 174.600 0.018 0.000 1.189 153 S CA -0.816 57.392 58.200 0.015 0.000 1.036 153 S CB 2.013 65.221 63.200 0.014 0.000 1.014 153 S HN 0.641 nan 8.310 nan 0.000 0.522 154 K N 0.939 121.351 120.400 0.021 0.000 2.026 154 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 154 K C 0.769 177.387 176.600 0.030 0.000 1.048 154 K CA 1.414 57.718 56.287 0.028 0.000 0.929 154 K CB -0.161 32.357 32.500 0.030 0.000 0.713 154 K HN 0.855 nan 8.250 nan 0.000 0.439 155 E N 1.920 122.135 120.200 0.025 0.000 2.331 155 E HA 0.019 4.369 4.350 -0.000 0.000 0.272 155 E C -0.974 175.637 176.600 0.019 0.000 1.036 155 E CA -0.320 56.095 56.400 0.024 0.000 0.864 155 E CB 0.616 30.329 29.700 0.022 0.000 1.035 155 E HN 0.026 nan 8.360 nan 0.000 0.408 156 D N 3.204 123.615 120.400 0.017 0.000 2.426 156 D HA -0.011 4.629 4.640 -0.000 0.000 0.261 156 D C 0.803 177.113 176.300 0.018 0.000 1.245 156 D CA 0.494 54.502 54.000 0.014 0.000 0.917 156 D CB 0.661 41.467 40.800 0.010 0.000 1.123 156 D HN 0.605 nan 8.370 nan 0.000 0.508 157 T N -0.865 113.701 114.554 0.019 0.000 3.038 157 T HA 0.278 4.628 4.350 -0.000 0.000 0.244 157 T C 1.056 175.772 174.700 0.027 0.000 1.016 157 T CA -0.030 62.082 62.100 0.020 0.000 1.098 157 T CB 0.157 69.035 68.868 0.017 0.000 0.954 157 T HN 0.376 nan 8.240 nan 0.000 0.469 158 A N 1.896 124.736 122.820 0.033 0.000 2.475 158 A HA 0.442 4.762 4.320 -0.000 0.000 0.239 158 A C 0.088 177.712 177.584 0.067 0.000 1.087 158 A CA -0.022 52.047 52.037 0.053 0.000 0.779 158 A CB 0.014 19.058 19.000 0.073 0.000 1.036 158 A HN 0.522 nan 8.150 nan 0.000 0.506 159 K N 0.708 121.165 120.400 0.095 0.000 2.203 159 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 159 K C 0.105 176.768 176.600 0.106 0.000 0.944 159 K CA -0.424 55.913 56.287 0.083 0.000 0.829 159 K CB 1.672 34.214 32.500 0.071 0.000 1.125 159 K HN 0.652 nan 8.250 nan 0.000 0.430 160 S N 2.848 118.568 115.700 0.033 0.000 2.558 160 S HA -0.041 4.429 4.470 -0.000 0.000 0.297 160 S C -1.544 173.004 174.600 -0.087 0.000 1.283 160 S CA -0.511 57.662 58.200 -0.044 0.000 1.044 160 S CB 0.188 63.356 63.200 -0.053 0.000 0.789 160 S HN 0.494 nan 8.310 nan 0.000 0.500 161 P HA 0.278 nan 4.420 nan 0.000 0.249 161 P C -0.757 176.201 177.300 -0.571 0.000 1.583 161 P CA 0.027 62.859 63.100 -0.448 0.000 0.988 161 P CB -0.208 31.184 31.700 -0.512 0.000 1.530 162 F N -0.637 119.293 119.950 -0.033 0.000 2.492 162 F HA 0.345 4.871 4.527 -0.000 0.000 0.327 162 F C 1.757 177.528 175.800 -0.048 0.000 1.079 162 F CA -0.939 57.030 58.000 -0.053 0.000 0.967 162 F CB 1.952 40.914 39.000 -0.063 0.000 1.169 162 F HN -0.322 nan 8.300 nan 0.000 0.472 163 L N 1.841 123.143 121.223 0.132 0.000 2.298 163 L HA 0.301 4.641 4.340 -0.000 0.000 0.209 163 L C -0.029 176.873 176.870 0.052 0.000 1.084 163 L CA 0.761 55.636 54.840 0.060 0.000 0.816 163 L CB 0.280 42.350 42.059 0.018 0.000 0.967 163 L HN 0.449 nan 8.230 nan 0.000 0.460 164 I N -0.624 119.969 120.570 0.037 0.000 2.533 164 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 164 I C -1.233 174.814 176.117 -0.118 0.000 1.056 164 I CA -0.371 60.916 61.300 -0.021 0.000 1.057 164 I CB 2.405 40.397 38.000 -0.013 0.000 1.240 164 I HN -0.184 nan 8.210 nan 0.000 0.423 165 D N 5.219 125.544 120.400 -0.126 0.000 2.586 165 D HA 0.180 4.820 4.640 -0.000 0.000 0.254 165 D C -1.065 175.151 176.300 -0.139 0.000 1.248 165 D CA -0.262 53.579 54.000 -0.265 0.000 0.843 165 D CB 0.775 41.362 40.800 -0.354 0.000 1.332 165 D HN 0.319 nan 8.370 nan 0.000 0.523 166 Q N 1.504 121.257 119.800 -0.078 0.000 2.347 166 Q HA 0.605 4.945 4.340 -0.000 0.000 0.265 166 Q C 0.828 176.832 176.000 0.007 0.000 1.024 166 Q CA 0.284 56.080 55.803 -0.013 0.000 0.731 166 Q CB 1.176 29.933 28.738 0.033 0.000 1.245 166 Q HN 0.479 nan 8.270 nan 0.000 0.472 167 G N 3.744 112.538 108.800 -0.010 0.000 2.634 167 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.318 167 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.318 167 G C 0.386 175.289 174.900 0.005 0.000 1.207 167 G CA 0.461 45.562 45.100 0.002 0.000 0.987 167 G HN 0.644 nan 8.290 nan 0.000 0.547 168 R N -0.246 120.278 120.500 0.040 0.000 2.426 168 R HA 0.345 4.685 4.340 -0.000 0.000 0.263 168 R C -0.128 176.254 176.300 0.138 0.000 0.961 168 R CA 0.048 56.188 56.100 0.066 0.000 1.086 168 R CB 0.288 30.633 30.300 0.075 0.000 1.186 168 R HN 0.422 nan 8.270 nan 0.000 0.537 169 Y N 0.844 121.121 120.300 -0.038 0.000 2.376 169 Y HA 0.400 4.950 4.550 -0.000 0.000 0.340 169 Y C -1.098 174.761 175.900 -0.067 0.000 0.965 169 Y CA -1.249 56.837 58.100 -0.024 0.000 1.078 169 Y CB 1.250 39.669 38.460 -0.068 0.000 1.193 169 Y HN -0.269 nan 8.280 nan 0.000 0.452 170 K N 5.791 125.823 120.400 -0.614 0.000 2.371 170 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 170 K C -2.070 174.079 176.600 -0.753 0.000 0.934 170 K CA -1.133 54.772 56.287 -0.636 0.000 0.798 170 K CB 2.625 34.831 32.500 -0.490 0.000 1.204 170 K HN 0.578 nan 8.250 nan 0.000 0.427 171 L N 1.861 122.812 121.223 -0.454 0.000 2.349 171 L HA 0.728 5.068 4.340 -0.000 0.000 0.278 171 L C -1.601 175.305 176.870 0.060 0.000 0.996 171 L CA -0.141 54.575 54.840 -0.207 0.000 0.825 171 L CB 1.681 43.643 42.059 -0.162 0.000 1.243 171 L HN 0.782 nan 8.230 nan 0.000 0.412 172 A N 4.147 127.004 122.820 0.063 0.000 2.422 172 A HA 0.915 5.235 4.320 -0.000 0.000 0.302 172 A C -0.706 176.861 177.584 -0.030 0.000 1.041 172 A CA -0.215 51.835 52.037 0.023 0.000 0.708 172 A CB 1.393 20.391 19.000 -0.003 0.000 1.257 172 A HN 1.120 nan 8.150 nan 0.000 0.414 173 A N 0.378 123.165 122.820 -0.056 0.000 2.401 173 A HA 0.593 4.913 4.320 -0.000 0.000 0.259 173 A C -0.044 177.520 177.584 -0.034 0.000 1.103 173 A CA -0.073 51.942 52.037 -0.037 0.000 0.789 173 A CB -0.043 18.940 19.000 -0.028 0.000 1.035 173 A HN 1.939 nan 8.150 nan 0.000 0.491 174 C N 1.766 121.071 119.300 0.008 0.000 3.090 174 C HA 0.492 4.952 4.460 -0.000 0.000 0.347 174 C C -1.335 173.693 174.990 0.063 0.000 1.147 174 C CA -0.734 58.295 59.018 0.019 0.000 1.305 174 C CB 1.615 29.363 27.740 0.014 0.000 1.692 174 C HN 0.958 nan 8.230 nan 0.000 0.506 175 D N 3.392 123.824 120.400 0.053 0.000 2.365 175 D HA 0.256 4.896 4.640 -0.000 0.000 0.237 175 D C 0.859 177.198 176.300 0.065 0.000 1.190 175 D CA 0.010 54.049 54.000 0.066 0.000 0.867 175 D CB 0.685 41.511 40.800 0.044 0.000 1.050 175 D HN 0.610 nan 8.370 nan 0.000 0.491 176 L N 3.195 124.471 121.223 0.088 0.000 2.552 176 L HA 0.037 4.377 4.340 -0.000 0.000 0.227 176 L C 1.188 178.109 176.870 0.085 0.000 1.146 176 L CA 0.383 55.278 54.840 0.092 0.000 0.858 176 L CB -0.175 41.955 42.059 0.118 0.000 0.969 176 L HN 0.342 nan 8.230 nan 0.000 0.451 177 N N -0.955 117.790 118.700 0.074 0.000 2.336 177 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 177 N C 0.109 175.646 175.510 0.046 0.000 1.113 177 N CA -0.056 53.034 53.050 0.066 0.000 0.858 177 N CB 0.346 38.876 38.487 0.070 0.000 0.970 177 N HN 0.087 nan 8.380 nan 0.000 0.471 178 D N 0.891 121.315 120.400 0.040 0.000 2.454 178 D HA 0.090 4.730 4.640 -0.000 0.000 0.225 178 D C 0.616 176.930 176.300 0.025 0.000 1.081 178 D CA -0.498 53.517 54.000 0.025 0.000 0.864 178 D CB 0.736 41.547 40.800 0.019 0.000 1.040 178 D HN -0.066 nan 8.370 nan 0.000 0.517 179 I N 3.112 123.695 120.570 0.020 0.000 2.394 179 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 179 I C 1.826 177.949 176.117 0.011 0.000 1.136 179 I CA 1.496 62.808 61.300 0.020 0.000 1.425 179 I CB -0.063 37.944 38.000 0.011 0.000 1.079 179 I HN 0.354 nan 8.210 nan 0.000 0.425 180 T N 0.002 114.558 114.554 0.004 0.000 2.701 180 T HA -0.213 4.137 4.350 -0.000 0.000 0.263 180 T C 1.834 176.532 174.700 -0.003 0.000 1.040 180 T CA 1.668 63.767 62.100 -0.003 0.000 1.147 180 T CB -0.277 68.588 68.868 -0.006 0.000 0.865 180 T HN 0.463 nan 8.240 nan 0.000 0.426 181 E N 0.384 120.583 120.200 -0.002 0.000 2.058 181 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 181 E C 2.158 178.756 176.600 -0.003 0.000 0.997 181 E CA 1.591 57.987 56.400 -0.008 0.000 0.801 181 E CB -0.089 29.608 29.700 -0.005 0.000 0.746 181 E HN 0.418 nan 8.360 nan 0.000 0.450 182 T N -0.032 114.531 114.554 0.014 0.000 2.746 182 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 182 T C 2.051 176.770 174.700 0.031 0.000 1.039 182 T CA 1.969 64.087 62.100 0.029 0.000 1.142 182 T CB -0.584 68.313 68.868 0.050 0.000 0.866 182 T HN 0.454 nan 8.240 nan 0.000 0.444 183 T N 0.818 115.383 114.554 0.020 0.000 2.812 183 T HA -0.006 4.344 4.350 -0.000 0.000 0.264 183 T C 2.043 176.746 174.700 0.006 0.000 1.042 183 T CA 0.602 62.709 62.100 0.011 0.000 1.140 183 T CB -0.249 68.614 68.868 -0.008 0.000 0.870 183 T HN 0.255 nan 8.240 nan 0.000 0.445 184 R N 0.389 120.888 120.500 -0.003 0.000 2.083 184 R HA 0.042 4.382 4.340 -0.000 0.000 0.237 184 R C 2.444 178.740 176.300 -0.007 0.000 1.137 184 R CA 1.452 57.546 56.100 -0.009 0.000 0.951 184 R CB -0.728 29.561 30.300 -0.019 0.000 0.851 184 R HN 0.326 nan 8.270 nan 0.000 0.434 185 L N 1.051 122.263 121.223 -0.017 0.000 1.989 185 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 185 L C 1.885 178.788 176.870 0.055 0.000 1.071 185 L CA 1.758 56.583 54.840 -0.026 0.000 0.749 185 L CB -0.510 41.522 42.059 -0.045 0.000 0.890 185 L HN 0.176 nan 8.230 nan 0.000 0.431 186 L N -0.508 120.761 121.223 0.076 0.000 2.127 186 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 186 L C 2.189 179.134 176.870 0.126 0.000 1.089 186 L CA 1.212 56.134 54.840 0.136 0.000 0.757 186 L CB -0.871 41.288 42.059 0.167 0.000 0.899 186 L HN 0.344 nan 8.230 nan 0.000 0.434 187 D N -0.241 120.199 120.400 0.067 0.000 2.221 187 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 187 D C 1.908 178.258 176.300 0.083 0.000 0.982 187 D CA 1.585 55.615 54.000 0.049 0.000 0.857 187 D CB 0.085 40.896 40.800 0.018 0.000 0.934 187 D HN 0.377 nan 8.370 nan 0.000 0.475 188 V N -1.333 118.651 119.914 0.117 0.000 3.542 188 V HA 0.158 4.277 4.120 -0.000 0.000 0.296 188 V C 1.413 177.652 176.094 0.241 0.000 1.364 188 V CA 0.286 62.686 62.300 0.166 0.000 1.118 188 V CB -0.454 31.473 31.823 0.174 0.000 0.972 188 V HN 0.354 nan 8.190 nan 0.000 0.430 189 C N -1.302 118.128 119.300 0.216 0.000 3.865 189 C HA 0.652 5.112 4.460 -0.000 0.000 0.297 189 C C 0.721 175.785 174.990 0.122 0.000 1.758 189 C CA 0.434 59.553 59.018 0.167 0.000 1.778 189 C CB -0.881 27.015 27.740 0.260 0.000 3.158 189 C HN 0.688 nan 8.230 nan 0.000 0.598 190 T N -2.001 112.655 114.554 0.169 0.000 2.864 190 T HA 0.716 5.066 4.350 -0.000 0.000 0.299 190 T C -1.703 173.138 174.700 0.234 0.000 1.166 190 T CA -0.267 61.969 62.100 0.226 0.000 1.007 190 T CB 2.067 71.193 68.868 0.429 0.000 1.219 190 T HN 0.117 nan 8.240 nan 0.000 0.506 191 K N 0.937 121.498 120.400 0.268 0.000 2.324 191 K HA 0.461 4.781 4.320 -0.000 0.000 0.253 191 K C 1.030 177.814 176.600 0.306 0.000 0.932 191 K CA -1.072 55.337 56.287 0.203 0.000 0.799 191 K CB 2.338 34.918 32.500 0.133 0.000 1.154 191 K HN 0.827 nan 8.250 nan 0.000 0.425 192 R N 1.562 122.152 120.500 0.151 0.000 2.103 192 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 192 R C 0.512 176.946 176.300 0.223 0.000 1.142 192 R CA 1.732 57.902 56.100 0.116 0.000 0.960 192 R CB 0.337 30.626 30.300 -0.018 0.000 0.858 192 R HN 0.445 nan 8.270 nan 0.000 0.439 193 E N 0.217 120.512 120.200 0.159 0.000 2.489 193 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 193 E C 0.188 176.875 176.600 0.145 0.000 1.057 193 E CA 0.248 56.731 56.400 0.138 0.000 0.866 193 E CB 0.219 29.974 29.700 0.093 0.000 0.916 193 E HN 0.453 nan 8.360 nan 0.000 0.500 194 I N 3.044 123.711 120.570 0.163 0.000 2.342 194 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 194 I C -2.229 173.949 176.117 0.102 0.000 1.010 194 I CA -2.339 59.027 61.300 0.110 0.000 1.308 194 I CB 0.905 38.954 38.000 0.082 0.000 1.400 194 I HN -0.339 nan 8.210 nan 0.000 0.488 195 P HA -0.004 nan 4.420 nan 0.000 0.264 195 P C -0.813 176.492 177.300 0.009 0.000 1.183 195 P CA 0.271 63.436 63.100 0.109 0.000 0.763 195 P CB 0.355 32.140 31.700 0.142 0.000 0.807 196 T N 4.407 118.848 114.554 -0.189 0.000 2.809 196 T HA 0.480 4.830 4.350 -0.000 0.000 0.284 196 T C 0.219 174.568 174.700 -0.584 0.000 0.992 196 T CA -0.405 61.436 62.100 -0.431 0.000 0.957 196 T CB 0.359 68.772 68.868 -0.759 0.000 0.942 196 T HN 0.167 nan 8.240 nan 0.000 0.439 197 I N 3.273 123.505 120.570 -0.563 0.000 2.352 197 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 197 I C -0.142 175.673 176.117 -0.504 0.000 1.036 197 I CA -0.763 60.176 61.300 -0.601 0.000 1.336 197 I CB 0.968 38.658 38.000 -0.517 0.000 1.407 197 I HN 0.227 nan 8.210 nan 0.000 0.497 198 V N 7.941 127.554 119.914 -0.501 0.000 2.435 198 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 198 V C 0.103 175.813 176.094 -0.640 0.000 1.030 198 V CA -0.455 61.440 62.300 -0.676 0.000 0.881 198 V CB 1.776 32.934 31.823 -1.108 0.000 0.983 198 V HN 0.478 nan 8.190 nan 0.000 0.445 199 I N 4.343 124.637 120.570 -0.461 0.000 2.378 199 I HA 0.484 4.654 4.170 -0.000 0.000 0.291 199 I C -0.111 175.946 176.117 -0.100 0.000 0.992 199 I CA -0.183 60.980 61.300 -0.229 0.000 1.154 199 I CB 2.087 40.006 38.000 -0.134 0.000 1.315 199 I HN 0.667 nan 8.210 nan 0.000 0.448 200 S N 3.899 119.672 115.700 0.121 0.000 2.664 200 S HA 0.368 4.838 4.470 -0.000 0.000 0.262 200 S C -0.674 174.111 174.600 0.308 0.000 1.229 200 S CA -0.801 57.570 58.200 0.285 0.000 1.151 200 S CB 1.005 64.549 63.200 0.572 0.000 1.054 200 S HN 0.689 nan 8.310 nan 0.000 0.483 201 E N 1.991 122.333 120.200 0.237 0.000 2.055 201 E HA 0.368 4.718 4.350 -0.000 0.000 0.274 201 E C -0.477 176.306 176.600 0.305 0.000 0.949 201 E CA -0.635 55.921 56.400 0.259 0.000 0.775 201 E CB 0.358 30.130 29.700 0.120 0.000 1.097 201 E HN 0.847 nan 8.360 nan 0.000 0.404 202 C N 4.184 123.720 119.300 0.394 0.000 4.167 202 C HA -0.182 4.278 4.460 -0.000 0.000 0.302 202 C C 0.972 176.176 174.990 0.357 0.000 1.384 202 C CA 0.691 59.917 59.018 0.346 0.000 2.041 202 C CB -2.647 25.325 27.740 0.386 0.000 1.303 202 C HN 0.873 nan 8.230 nan 0.000 0.718 203 L N -0.586 120.833 121.223 0.327 0.000 2.541 203 L HA 0.348 4.688 4.340 -0.000 0.000 0.187 203 L C 2.026 179.076 176.870 0.300 0.000 1.098 203 L CA 0.826 55.877 54.840 0.352 0.000 0.846 203 L CB -0.413 41.826 42.059 0.300 0.000 1.151 203 L HN 0.348 nan 8.230 nan 0.000 0.492 204 L N 0.729 122.116 121.223 0.273 0.000 2.187 204 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 204 L C 2.732 179.672 176.870 0.117 0.000 1.100 204 L CA 1.226 56.189 54.840 0.205 0.000 0.765 204 L CB -0.979 41.214 42.059 0.224 0.000 0.904 204 L HN 0.662 nan 8.230 nan 0.000 0.437 205 C N -2.375 116.948 119.300 0.038 0.000 2.437 205 C HA -0.132 4.328 4.460 -0.000 0.000 0.283 205 C C 2.168 177.008 174.990 -0.249 0.000 1.424 205 C CA -0.204 58.738 59.018 -0.126 0.000 1.782 205 C CB -1.685 25.896 27.740 -0.265 0.000 1.833 205 C HN 0.459 nan 8.230 nan 0.000 0.532 206 Y N 0.383 120.726 120.300 0.071 0.000 2.466 206 Y HA 0.429 4.979 4.550 -0.000 0.000 0.272 206 Y C 1.410 177.272 175.900 -0.064 0.000 1.169 206 Y CA -0.192 57.913 58.100 0.009 0.000 1.285 206 Y CB -0.282 38.199 38.460 0.034 0.000 1.078 206 Y HN 0.287 nan 8.280 nan 0.000 0.523 207 M N -1.144 118.482 119.600 0.044 0.000 2.578 207 M HA 0.313 4.793 4.480 -0.000 0.000 0.321 207 M C -0.702 175.542 176.300 -0.093 0.000 1.182 207 M CA -0.723 54.570 55.300 -0.012 0.000 0.965 207 M CB 1.462 34.109 32.600 0.078 0.000 1.694 207 M HN 0.089 nan 8.290 nan 0.000 0.461 208 H N 0.016 119.124 119.070 0.063 0.000 2.607 208 H HA 0.127 4.683 4.556 -0.000 0.000 0.367 208 H C 0.704 176.052 175.328 0.034 0.000 1.181 208 H CA 0.334 56.408 56.048 0.043 0.000 1.402 208 H CB 0.654 30.432 29.762 0.026 0.000 1.474 208 H HN 0.713 nan 8.280 nan 0.000 0.596 209 N N 1.171 119.971 118.700 0.167 0.000 2.018 209 N HA -0.286 4.454 4.740 -0.000 0.000 0.196 209 N C 1.614 177.151 175.510 0.045 0.000 1.043 209 N CA 1.456 54.572 53.050 0.110 0.000 0.856 209 N CB 0.021 38.554 38.487 0.077 0.000 1.042 209 N HN 0.527 nan 8.380 nan 0.000 0.423 210 N N 0.619 119.339 118.700 0.034 0.000 2.142 210 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 210 N C 1.651 177.150 175.510 -0.019 0.000 1.023 210 N CA 1.425 54.468 53.050 -0.011 0.000 0.852 210 N CB -0.103 38.374 38.487 -0.015 0.000 0.998 210 N HN 0.445 nan 8.380 nan 0.000 0.424 211 E N -0.228 119.984 120.200 0.021 0.000 2.077 211 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 211 E C 1.788 178.390 176.600 0.003 0.000 0.989 211 E CA 1.663 58.078 56.400 0.024 0.000 0.800 211 E CB -0.427 29.314 29.700 0.068 0.000 0.746 211 E HN 0.428 nan 8.360 nan 0.000 0.452 212 S N 0.492 116.188 115.700 -0.007 0.000 2.368 212 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 212 S C 2.179 176.659 174.600 -0.200 0.000 1.030 212 S CA 1.256 59.417 58.200 -0.066 0.000 0.999 212 S CB -0.262 62.894 63.200 -0.072 0.000 0.844 212 S HN 0.242 nan 8.310 nan 0.000 0.459 213 Q N 1.006 120.678 119.800 -0.213 0.000 2.079 213 Q HA 0.064 4.404 4.340 -0.000 0.000 0.200 213 Q C 2.040 177.900 176.000 -0.234 0.000 0.974 213 Q CA 1.376 56.997 55.803 -0.302 0.000 0.840 213 Q CB -0.718 27.879 28.738 -0.234 0.000 0.898 213 Q HN 0.571 nan 8.270 nan 0.000 0.430 214 L N -0.410 120.733 121.223 -0.133 0.000 2.017 214 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 214 L C 2.013 178.848 176.870 -0.060 0.000 1.073 214 L CA 1.550 56.338 54.840 -0.087 0.000 0.745 214 L CB -0.899 41.133 42.059 -0.046 0.000 0.894 214 L HN 0.403 nan 8.230 nan 0.000 0.432 215 L N -0.243 120.966 121.223 -0.024 0.000 1.990 215 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 215 L C 2.387 179.315 176.870 0.097 0.000 1.072 215 L CA 2.134 57.015 54.840 0.068 0.000 0.755 215 L CB -0.662 41.467 42.059 0.118 0.000 0.889 215 L HN 0.336 nan 8.230 nan 0.000 0.432 216 I N -0.520 119.964 120.570 -0.142 0.000 2.142 216 I HA -0.328 3.842 4.170 -0.000 0.000 0.240 216 I C 2.196 178.156 176.117 -0.262 0.000 1.078 216 I CA 1.371 62.401 61.300 -0.450 0.000 1.343 216 I CB -0.566 36.767 38.000 -1.112 0.000 1.046 216 I HN 0.371 nan 8.210 nan 0.000 0.405 217 N N 0.433 118.974 118.700 -0.265 0.000 2.043 217 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 217 N C 1.882 177.329 175.510 -0.105 0.000 1.037 217 N CA 2.085 55.014 53.050 -0.202 0.000 0.851 217 N CB -0.896 37.483 38.487 -0.180 0.000 1.027 217 N HN 0.332 nan 8.380 nan 0.000 0.422 218 T N 2.364 116.889 114.554 -0.049 0.000 2.652 218 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 218 T C 2.146 176.868 174.700 0.036 0.000 1.039 218 T CA 0.941 63.033 62.100 -0.013 0.000 1.153 218 T CB -0.295 68.577 68.868 0.006 0.000 0.863 218 T HN 0.176 nan 8.240 nan 0.000 0.428 219 I N 1.685 122.347 120.570 0.154 0.000 2.179 219 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 219 I C 2.636 178.956 176.117 0.339 0.000 1.088 219 I CA 1.543 63.021 61.300 0.298 0.000 1.357 219 I CB -0.506 37.734 38.000 0.399 0.000 1.051 219 I HN 0.350 nan 8.210 nan 0.000 0.409 220 M N -0.766 118.941 119.600 0.178 0.000 2.296 220 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 220 M C 2.162 178.363 176.300 -0.164 0.000 1.064 220 M CA 1.466 56.639 55.300 -0.212 0.000 1.109 220 M CB -0.734 31.168 32.600 -1.163 0.000 1.396 220 M HN -0.059 nan 8.290 nan 0.000 0.430 221 S N 0.921 116.550 115.700 -0.118 0.000 2.447 221 S HA 0.008 4.478 4.470 -0.000 0.000 0.233 221 S C 1.806 176.353 174.600 -0.088 0.000 1.006 221 S CA 0.931 59.072 58.200 -0.097 0.000 0.957 221 S CB -0.152 62.988 63.200 -0.100 0.000 0.773 221 S HN 0.486 nan 8.310 nan 0.000 0.507 222 K N -0.104 120.196 120.400 -0.167 0.000 2.366 222 K HA 0.063 4.383 4.320 -0.000 0.000 0.198 222 K C -0.669 175.480 176.600 -0.751 0.000 1.044 222 K CA 0.615 56.590 56.287 -0.521 0.000 0.973 222 K CB 0.119 32.144 32.500 -0.791 0.000 0.767 222 K HN 0.276 nan 8.250 nan 0.000 0.475 223 F N -0.855 119.229 119.950 0.222 0.000 2.529 223 F HA 0.203 4.730 4.527 -0.000 0.000 0.320 223 F C 1.203 177.208 175.800 0.342 0.000 1.118 223 F CA -0.832 57.335 58.000 0.279 0.000 0.915 223 F CB 1.964 41.167 39.000 0.338 0.000 1.161 223 F HN -0.262 nan 8.300 nan 0.000 0.445 224 S N 0.713 116.566 115.700 0.255 0.000 2.353 224 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 224 S C 0.248 174.654 174.600 -0.324 0.000 1.035 224 S CA 1.206 59.369 58.200 -0.062 0.000 1.025 224 S CB -0.357 62.749 63.200 -0.156 0.000 0.902 224 S HN 0.533 nan 8.310 nan 0.000 0.440 225 H N -1.209 117.921 119.070 0.101 0.000 2.928 225 H HA 0.662 5.218 4.556 -0.000 0.000 0.371 225 H C 0.278 175.180 175.328 -0.711 0.000 1.186 225 H CA -0.274 55.565 56.048 -0.348 0.000 1.134 225 H CB 1.716 31.396 29.762 -0.135 0.000 1.824 225 H HN 0.430 nan 8.280 nan 0.000 0.554 226 G N 0.139 108.145 108.800 -1.324 0.000 2.340 226 G HA2 0.364 4.324 3.960 -0.000 0.000 0.299 226 G HA3 0.364 4.324 3.960 -0.000 0.000 0.299 226 G C -2.220 171.852 174.900 -1.380 0.000 1.291 226 G CA -0.691 43.622 45.100 -1.313 0.000 0.841 226 G HN 0.501 nan 8.290 nan 0.000 0.500 227 L N -0.316 120.256 121.223 -1.085 0.000 2.476 227 L HA 0.774 5.114 4.340 -0.000 0.000 0.269 227 L C -1.594 175.200 176.870 -0.126 0.000 0.965 227 L CA -0.778 53.753 54.840 -0.516 0.000 0.845 227 L CB 1.842 43.416 42.059 -0.808 0.000 1.259 227 L HN 0.737 nan 8.230 nan 0.000 0.403 228 W N 7.500 128.873 121.300 0.122 0.000 2.361 228 W HA 0.539 5.199 4.660 -0.000 0.000 0.309 228 W C -1.253 175.177 176.519 -0.148 0.000 1.122 228 W CA -0.966 56.419 57.345 0.066 0.000 1.208 228 W CB 1.411 30.969 29.460 0.162 0.000 1.246 228 W HN 0.459 nan 8.180 nan 0.000 0.490 229 I N 5.471 126.121 120.570 0.133 0.000 2.354 229 I HA 0.094 4.264 4.170 -0.000 0.000 0.286 229 I C 0.197 176.448 176.117 0.223 0.000 1.007 229 I CA -0.275 61.078 61.300 0.089 0.000 1.167 229 I CB 1.495 39.492 38.000 -0.006 0.000 1.320 229 I HN 0.133 nan 8.210 nan 0.000 0.458 230 S N 5.967 121.770 115.700 0.171 0.000 2.482 230 S HA 0.583 5.052 4.470 -0.000 0.000 0.303 230 S C -1.346 173.389 174.600 0.226 0.000 1.091 230 S CA -0.392 57.972 58.200 0.274 0.000 1.057 230 S CB 1.039 64.373 63.200 0.223 0.000 1.031 230 S HN 0.437 nan 8.310 nan 0.000 0.485 231 Y N 3.255 123.634 120.300 0.132 0.000 2.442 231 Y HA 0.676 5.226 4.550 -0.000 0.000 0.344 231 Y C -0.910 175.044 175.900 0.090 0.000 0.976 231 Y CA -0.475 57.661 58.100 0.059 0.000 1.040 231 Y CB 1.461 39.964 38.460 0.071 0.000 1.228 231 Y HN 0.627 nan 8.280 nan 0.000 0.451 232 D N 5.788 125.891 120.400 -0.495 0.000 2.694 232 D HA 0.256 4.896 4.640 -0.000 0.000 0.260 232 D C -3.055 172.967 176.300 -0.464 0.000 1.250 232 D CA -1.059 52.773 54.000 -0.280 0.000 0.763 232 D CB 2.893 43.627 40.800 -0.109 0.000 1.311 232 D HN 0.212 nan 8.370 nan 0.000 0.420 233 P HA 0.451 nan 4.420 nan 0.000 0.276 233 P C -0.595 176.506 177.300 -0.332 0.000 1.244 233 P CA -0.418 62.313 63.100 -0.615 0.000 0.801 233 P CB 0.947 32.382 31.700 -0.441 0.000 1.006 234 I N -3.378 117.005 120.570 -0.312 0.000 2.730 234 I HA 0.611 4.781 4.170 -0.000 0.000 0.298 234 I C 1.183 177.292 176.117 -0.013 0.000 1.089 234 I CA -0.976 60.252 61.300 -0.120 0.000 1.041 234 I CB 1.844 39.752 38.000 -0.154 0.000 1.235 234 I HN 0.323 nan 8.210 nan 0.000 0.423 235 G N 2.833 111.685 108.800 0.087 0.000 2.484 235 G HA2 0.413 4.373 3.960 -0.000 0.000 0.218 235 G HA3 0.413 4.373 3.960 -0.000 0.000 0.218 235 G C 0.787 175.832 174.900 0.242 0.000 1.130 235 G CA 0.405 45.625 45.100 0.199 0.000 0.784 235 G HN 1.574 nan 8.290 nan 0.000 0.543 236 G N -1.190 107.658 108.800 0.080 0.000 2.784 236 G HA2 0.197 4.157 3.960 -0.000 0.000 0.686 236 G HA3 0.197 4.157 3.960 -0.000 0.000 0.686 236 G C 0.562 175.464 174.900 0.002 0.000 1.156 236 G CA 0.366 45.461 45.100 -0.008 0.000 0.757 236 G HN 1.087 nan 8.290 nan 0.000 0.642 237 S N 0.249 115.923 115.700 -0.043 0.000 2.591 237 S HA 0.211 4.680 4.470 -0.000 0.000 0.235 237 S C 0.861 175.457 174.600 -0.006 0.000 1.074 237 S CA 0.588 58.778 58.200 -0.017 0.000 0.925 237 S CB 0.007 63.191 63.200 -0.026 0.000 0.818 237 S HN 0.881 nan 8.310 nan 0.000 0.535 238 Q N 3.541 123.332 119.800 -0.016 0.000 2.310 238 Q HA 0.183 4.523 4.340 -0.000 0.000 0.315 238 Q C -2.325 173.683 176.000 0.013 0.000 1.081 238 Q CA -0.563 55.237 55.803 -0.004 0.000 0.981 238 Q CB -0.261 28.470 28.738 -0.012 0.000 1.184 238 Q HN 0.393 nan 8.270 nan 0.000 0.389 239 P HA 0.086 nan 4.420 nan 0.000 0.275 239 P C -0.348 176.963 177.300 0.019 0.000 1.228 239 P CA -0.064 63.045 63.100 0.014 0.000 0.786 239 P CB 0.697 32.402 31.700 0.008 0.000 0.927 240 N N -1.519 117.195 118.700 0.023 0.000 2.955 240 N HA -0.147 4.593 4.740 -0.000 0.000 0.199 240 N C -0.204 175.329 175.510 0.039 0.000 0.939 240 N CA 1.176 54.240 53.050 0.024 0.000 1.028 240 N CB -2.159 36.339 38.487 0.018 0.000 1.000 240 N HN 0.521 nan 8.380 nan 0.000 0.577 241 D N 0.867 121.301 120.400 0.057 0.000 2.348 241 D HA 0.160 4.800 4.640 -0.000 0.000 0.259 241 D C 0.691 177.051 176.300 0.100 0.000 1.296 241 D CA 0.280 54.340 54.000 0.100 0.000 0.931 241 D CB 0.314 41.197 40.800 0.139 0.000 1.067 241 D HN 0.288 nan 8.370 nan 0.000 0.503 242 R N 3.002 123.549 120.500 0.078 0.000 2.388 242 R HA 0.078 4.418 4.340 -0.000 0.000 0.247 242 R C 1.483 177.805 176.300 0.036 0.000 0.931 242 R CA -0.397 55.731 56.100 0.047 0.000 1.082 242 R CB 0.048 30.355 30.300 0.012 0.000 1.135 242 R HN 0.426 nan 8.270 nan 0.000 0.525 243 F N 1.145 121.032 119.950 -0.106 0.000 2.043 243 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 243 F C 2.236 177.956 175.800 -0.134 0.000 1.118 243 F CA 2.190 60.055 58.000 -0.225 0.000 1.202 243 F CB -0.426 38.202 39.000 -0.620 0.000 0.965 243 F HN 0.095 nan 8.300 nan 0.000 0.482 244 G N -0.807 108.124 108.800 0.220 0.000 2.422 244 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 244 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 244 G C 1.735 176.626 174.900 -0.014 0.000 1.146 244 G CA 0.784 45.961 45.100 0.128 0.000 0.769 244 G HN 0.667 nan 8.290 nan 0.000 0.547 245 A N 0.745 123.556 122.820 -0.014 0.000 1.898 245 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 245 A C 2.381 179.919 177.584 -0.076 0.000 1.181 245 A CA 1.269 53.286 52.037 -0.033 0.000 0.620 245 A CB -0.324 18.667 19.000 -0.015 0.000 0.819 245 A HN 0.362 nan 8.150 nan 0.000 0.442 246 I N -1.132 119.362 120.570 -0.127 0.000 2.315 246 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 246 I C 2.679 178.680 176.117 -0.193 0.000 1.117 246 I CA 1.619 62.826 61.300 -0.156 0.000 1.404 246 I CB -0.201 37.687 38.000 -0.188 0.000 1.071 246 I HN 0.427 nan 8.210 nan 0.000 0.419 247 M N 0.193 119.614 119.600 -0.300 0.000 2.099 247 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 247 M C 2.383 178.613 176.300 -0.117 0.000 1.067 247 M CA 1.825 56.961 55.300 -0.275 0.000 1.124 247 M CB -0.049 32.292 32.600 -0.431 0.000 1.353 247 M HN 0.159 nan 8.290 nan 0.000 0.410 248 Q N -0.901 118.849 119.800 -0.084 0.000 2.084 248 Q HA -0.193 4.146 4.340 -0.000 0.000 0.202 248 Q C 2.164 178.151 176.000 -0.022 0.000 0.978 248 Q CA 1.895 57.681 55.803 -0.030 0.000 0.844 248 Q CB -0.305 28.422 28.738 -0.017 0.000 0.898 248 Q HN 0.586 nan 8.270 nan 0.000 0.426 249 S N 0.942 116.618 115.700 -0.039 0.000 2.351 249 S HA -0.233 4.237 4.470 -0.000 0.000 0.220 249 S C 1.573 176.160 174.600 -0.021 0.000 1.035 249 S CA 1.909 60.091 58.200 -0.029 0.000 1.031 249 S CB -0.254 62.923 63.200 -0.039 0.000 0.928 249 S HN 0.388 nan 8.310 nan 0.000 0.433 250 N N 0.587 119.266 118.700 -0.035 0.000 2.166 250 N HA 0.039 4.779 4.740 -0.000 0.000 0.186 250 N C 1.759 177.274 175.510 0.008 0.000 1.019 250 N CA 1.309 54.349 53.050 -0.017 0.000 0.856 250 N CB -0.266 38.203 38.487 -0.030 0.000 0.993 250 N HN 0.349 nan 8.380 nan 0.000 0.426 251 L N 0.313 121.546 121.223 0.016 0.000 2.131 251 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 251 L C 2.280 179.174 176.870 0.040 0.000 1.092 251 L CA 1.022 55.891 54.840 0.049 0.000 0.759 251 L CB -0.205 41.900 42.059 0.077 0.000 0.903 251 L HN 0.152 nan 8.230 nan 0.000 0.435 252 K N 0.952 121.367 120.400 0.026 0.000 2.025 252 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 252 K C 0.413 177.024 176.600 0.018 0.000 1.049 252 K CA 0.825 57.125 56.287 0.022 0.000 0.933 252 K CB -0.045 32.464 32.500 0.015 0.000 0.714 252 K HN 0.030 nan 8.250 nan 0.000 0.438 253 E N 0.746 120.955 120.200 0.015 0.000 2.491 253 E HA -0.056 4.294 4.350 -0.000 0.000 0.250 253 E C 0.485 177.097 176.600 0.020 0.000 1.061 253 E CA 0.910 57.319 56.400 0.015 0.000 0.942 253 E CB 0.075 29.782 29.700 0.012 0.000 0.957 253 E HN 0.456 nan 8.360 nan 0.000 0.480 254 S N 2.752 118.464 115.700 0.019 0.000 1.971 254 S HA -0.440 4.030 4.470 -0.000 0.000 0.213 254 S C 1.536 176.150 174.600 0.023 0.000 1.054 254 S CA 1.710 59.922 58.200 0.021 0.000 1.702 254 S CB -1.236 61.978 63.200 0.024 0.000 2.322 254 S HN 0.657 nan 8.310 nan 0.000 0.569 255 R N 2.923 123.439 120.500 0.026 0.000 2.346 255 R HA 0.180 4.520 4.340 -0.000 0.000 0.199 255 R C 0.430 176.740 176.300 0.017 0.000 1.015 255 R CA 0.933 57.047 56.100 0.024 0.000 1.058 255 R CB -1.677 28.644 30.300 0.035 0.000 0.921 255 R HN 0.660 nan 8.270 nan 0.000 0.475 256 N N 0.570 119.281 118.700 0.018 0.000 2.759 256 N HA -0.216 4.524 4.740 -0.000 0.000 0.277 256 N C -1.322 174.196 175.510 0.013 0.000 0.982 256 N CA 0.524 53.583 53.050 0.015 0.000 0.833 256 N CB -0.555 37.937 38.487 0.008 0.000 0.927 256 N HN 0.319 nan 8.380 nan 0.000 0.573 257 L N 0.525 121.768 121.223 0.033 0.000 2.376 257 L HA 0.607 4.947 4.340 -0.000 0.000 0.258 257 L C -0.390 176.535 176.870 0.090 0.000 1.013 257 L CA -0.670 54.202 54.840 0.053 0.000 0.822 257 L CB 2.125 44.223 42.059 0.065 0.000 1.388 257 L HN 0.244 nan 8.230 nan 0.000 0.413 258 E N 2.051 122.325 120.200 0.124 0.000 2.293 258 E HA 0.515 4.865 4.350 -0.000 0.000 0.270 258 E C -1.261 175.407 176.600 0.113 0.000 0.879 258 E CA -0.440 56.017 56.400 0.096 0.000 0.756 258 E CB 2.268 31.999 29.700 0.052 0.000 1.208 258 E HN 0.483 nan 8.360 nan 0.000 0.428 259 M N 3.877 123.501 119.600 0.040 0.000 2.480 259 M HA 0.243 4.723 4.480 -0.000 0.000 0.320 259 M C -2.099 174.186 176.300 -0.025 0.000 1.141 259 M CA -1.798 53.484 55.300 -0.029 0.000 1.102 259 M CB 1.091 33.649 32.600 -0.071 0.000 1.249 259 M HN 0.199 nan 8.290 nan 0.000 0.446 260 P HA -0.096 nan 4.420 nan 0.000 0.220 260 P C 1.087 178.389 177.300 0.003 0.000 1.148 260 P CA 1.237 64.319 63.100 -0.031 0.000 0.803 260 P CB 0.070 31.689 31.700 -0.134 0.000 0.782 261 T N -4.825 109.743 114.554 0.024 0.000 3.129 261 T HA 0.172 4.522 4.350 -0.000 0.000 0.267 261 T C 1.335 176.079 174.700 0.073 0.000 1.018 261 T CA -0.279 61.846 62.100 0.042 0.000 0.903 261 T CB -0.746 68.241 68.868 0.199 0.000 1.067 261 T HN -0.179 nan 8.240 nan 0.000 0.549 262 L N 1.110 122.366 121.223 0.056 0.000 2.042 262 L HA 0.082 4.422 4.340 -0.000 0.000 0.210 262 L C 2.047 178.952 176.870 0.057 0.000 1.076 262 L CA 1.921 56.803 54.840 0.070 0.000 0.749 262 L CB -0.535 41.550 42.059 0.043 0.000 0.893 262 L HN 0.252 nan 8.230 nan 0.000 0.432 263 M N -1.843 117.765 119.600 0.014 0.000 2.447 263 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 263 M C 2.083 178.341 176.300 -0.070 0.000 1.095 263 M CA 1.111 56.407 55.300 -0.006 0.000 1.125 263 M CB -1.595 31.002 32.600 -0.006 0.000 1.389 263 M HN 0.206 nan 8.290 nan 0.000 0.459 264 T N -0.264 114.194 114.554 -0.160 0.000 2.701 264 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 264 T C 0.328 174.747 174.700 -0.468 0.000 1.040 264 T CA 1.211 63.080 62.100 -0.385 0.000 1.147 264 T CB -0.380 68.113 68.868 -0.625 0.000 0.865 264 T HN 0.307 nan 8.240 nan 0.000 0.426 265 Y N 3.161 123.487 120.300 0.042 0.000 2.880 265 Y HA 0.321 4.871 4.550 -0.000 0.000 0.329 265 Y C 1.070 177.023 175.900 0.088 0.000 1.156 265 Y CA -1.173 56.979 58.100 0.087 0.000 1.348 265 Y CB -0.203 38.349 38.460 0.153 0.000 1.280 265 Y HN 0.227 nan 8.280 nan 0.000 0.516 266 N N -0.158 118.614 118.700 0.120 0.000 2.203 266 N HA 0.031 4.771 4.740 -0.000 0.000 0.207 266 N C -0.171 175.353 175.510 0.024 0.000 1.130 266 N CA 0.061 53.147 53.050 0.061 0.000 0.861 266 N CB 0.432 38.938 38.487 0.032 0.000 1.005 266 N HN 0.376 nan 8.380 nan 0.000 0.507 267 S N -0.550 115.189 115.700 0.066 0.000 2.627 267 S HA 0.375 4.845 4.470 -0.000 0.000 0.283 267 S C 0.743 175.389 174.600 0.077 0.000 1.127 267 S CA -0.781 57.435 58.200 0.026 0.000 0.863 267 S CB 2.198 65.414 63.200 0.027 0.000 1.121 267 S HN 0.184 nan 8.310 nan 0.000 0.479 268 K N 0.451 120.868 120.400 0.029 0.000 2.217 268 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 268 K C 1.019 177.696 176.600 0.128 0.000 1.051 268 K CA 1.429 57.749 56.287 0.055 0.000 0.952 268 K CB -0.325 32.174 32.500 -0.002 0.000 0.736 268 K HN 0.564 nan 8.250 nan 0.000 0.453 269 E N 1.705 121.965 120.200 0.099 0.000 2.046 269 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 269 E C 1.795 178.477 176.600 0.136 0.000 0.982 269 E CA 1.303 57.763 56.400 0.101 0.000 0.800 269 E CB 0.025 29.766 29.700 0.068 0.000 0.756 269 E HN 0.310 nan 8.360 nan 0.000 0.449 270 K N -0.357 120.142 120.400 0.164 0.000 2.097 270 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 270 K C 2.072 178.847 176.600 0.290 0.000 1.049 270 K CA 1.196 57.624 56.287 0.235 0.000 0.933 270 K CB -0.234 32.414 32.500 0.246 0.000 0.717 270 K HN 0.154 nan 8.250 nan 0.000 0.442 271 Y N 1.322 121.709 120.300 0.145 0.000 2.114 271 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 271 Y C 2.233 178.187 175.900 0.089 0.000 1.143 271 Y CA 1.573 59.698 58.100 0.041 0.000 1.135 271 Y CB -0.278 38.212 38.460 0.051 0.000 0.980 271 Y HN 0.030 nan 8.280 nan 0.000 0.499 272 A N -0.635 122.341 122.820 0.261 0.000 2.125 272 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 272 A C 2.292 179.990 177.584 0.192 0.000 1.156 272 A CA 1.614 53.794 52.037 0.238 0.000 0.671 272 A CB -1.202 17.892 19.000 0.157 0.000 0.794 272 A HN 0.581 nan 8.150 nan 0.000 0.459 273 S N -0.179 115.563 115.700 0.069 0.000 2.515 273 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 273 S C 1.686 176.211 174.600 -0.125 0.000 0.987 273 S CA 0.804 59.009 58.200 0.008 0.000 0.936 273 S CB -0.383 62.840 63.200 0.038 0.000 0.766 273 S HN 0.642 nan 8.310 nan 0.000 0.528 274 R N -0.172 120.134 120.500 -0.323 0.000 2.235 274 R HA 0.129 4.469 4.340 -0.000 0.000 0.213 274 R C 0.960 176.783 176.300 -0.795 0.000 1.059 274 R CA 0.990 56.657 56.100 -0.722 0.000 0.997 274 R CB -0.123 29.375 30.300 -1.336 0.000 0.884 274 R HN 0.559 nan 8.270 nan 0.000 0.462 275 W N 0.818 121.919 121.300 -0.331 0.000 2.926 275 W HA 0.173 4.833 4.660 -0.000 0.000 0.419 275 W C 1.038 177.461 176.519 -0.161 0.000 0.993 275 W CA -0.161 57.014 57.345 -0.284 0.000 2.025 275 W CB 0.266 29.566 29.460 -0.266 0.000 1.152 275 W HN 0.177 nan 8.180 nan 0.000 0.659 276 S N 0.473 116.175 115.700 0.004 0.000 2.440 276 S HA -0.211 4.259 4.470 -0.000 0.000 0.240 276 S C 2.011 176.613 174.600 0.003 0.000 1.014 276 S CA 1.365 59.573 58.200 0.013 0.000 0.980 276 S CB -0.334 62.855 63.200 -0.019 0.000 0.775 276 S HN 0.140 nan 8.310 nan 0.000 0.499 277 A N 1.895 124.688 122.820 -0.046 0.000 2.019 277 A HA 0.462 4.782 4.320 -0.000 0.000 0.219 277 A C 1.397 178.983 177.584 0.003 0.000 1.164 277 A CA 0.958 52.964 52.037 -0.053 0.000 0.644 277 A CB -1.098 17.824 19.000 -0.130 0.000 0.805 277 A HN 0.911 nan 8.150 nan 0.000 0.449 278 A N 0.172 123.029 122.820 0.061 0.000 2.388 278 A HA 0.514 4.834 4.320 -0.000 0.000 0.257 278 A C -0.890 176.799 177.584 0.174 0.000 1.095 278 A CA -1.071 51.074 52.037 0.179 0.000 0.791 278 A CB 0.264 19.449 19.000 0.309 0.000 1.029 278 A HN 0.235 nan 8.150 nan 0.000 0.489 279 P HA -0.042 nan 4.420 nan 0.000 0.233 279 P C -0.099 177.283 177.300 0.136 0.000 1.167 279 P CA 0.896 64.085 63.100 0.148 0.000 0.770 279 P CB 0.117 31.909 31.700 0.153 0.000 0.837 280 N N 0.258 119.057 118.700 0.165 0.000 2.609 280 N HA 0.222 4.962 4.740 -0.000 0.000 0.268 280 N C -1.797 173.792 175.510 0.131 0.000 1.106 280 N CA -0.539 52.591 53.050 0.133 0.000 0.823 280 N CB 1.011 39.577 38.487 0.132 0.000 1.263 280 N HN -0.346 nan 8.380 nan 0.000 0.533 281 V N 4.467 124.442 119.914 0.101 0.000 2.448 281 V HA 0.599 4.719 4.120 -0.000 0.000 0.295 281 V C 0.176 176.301 176.094 0.052 0.000 1.025 281 V CA -0.634 61.712 62.300 0.076 0.000 0.859 281 V CB 1.544 33.422 31.823 0.092 0.000 0.988 281 V HN 0.461 nan 8.190 nan 0.000 0.431 282 I N 4.434 125.021 120.570 0.029 0.000 2.509 282 I HA 0.695 4.865 4.170 -0.000 0.000 0.293 282 I C -0.894 175.230 176.117 0.012 0.000 1.020 282 I CA -0.896 60.419 61.300 0.026 0.000 1.088 282 I CB 2.284 40.300 38.000 0.026 0.000 1.267 282 I HN 0.389 nan 8.210 nan 0.000 0.430 283 V N 6.614 126.541 119.914 0.022 0.000 2.808 283 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 283 V C -1.441 174.665 176.094 0.019 0.000 1.099 283 V CA -0.308 62.002 62.300 0.018 0.000 0.920 283 V CB 2.366 34.214 31.823 0.043 0.000 1.014 283 V HN 0.795 nan 8.190 nan 0.000 0.425 284 N N 3.098 121.805 118.700 0.012 0.000 2.308 284 N HA 0.376 5.116 4.740 -0.000 0.000 0.283 284 N C -1.701 173.821 175.510 0.020 0.000 1.105 284 N CA -0.490 52.575 53.050 0.025 0.000 0.840 284 N CB 2.476 40.986 38.487 0.038 0.000 1.633 284 N HN 0.936 nan 8.380 nan 0.000 0.476 285 D N 0.144 120.565 120.400 0.035 0.000 2.377 285 D HA 0.137 4.777 4.640 -0.000 0.000 0.245 285 D C 1.198 177.579 176.300 0.134 0.000 1.196 285 D CA -0.304 53.724 54.000 0.048 0.000 0.962 285 D CB 0.803 41.619 40.800 0.028 0.000 1.127 285 D HN 0.177 nan 8.370 nan 0.000 0.471 286 M N -0.358 119.356 119.600 0.189 0.000 2.394 286 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 286 M C 1.701 178.196 176.300 0.324 0.000 1.073 286 M CA 0.699 56.149 55.300 0.250 0.000 1.111 286 M CB -1.278 31.492 32.600 0.283 0.000 1.401 286 M HN 0.665 nan 8.290 nan 0.000 0.448 287 W N 1.905 123.288 121.300 0.139 0.000 2.358 287 W HA -0.201 4.459 4.660 -0.000 0.000 0.303 287 W C 1.547 178.182 176.519 0.193 0.000 1.208 287 W CA 1.470 58.921 57.345 0.176 0.000 1.274 287 W CB -0.057 29.467 29.460 0.107 0.000 1.138 287 W HN 0.323 nan 8.180 nan 0.000 0.515 288 E N 0.535 120.815 120.200 0.135 0.000 2.051 288 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 288 E C 2.109 178.696 176.600 -0.021 0.000 0.991 288 E CA 1.939 58.339 56.400 -0.000 0.000 0.799 288 E CB -0.537 29.199 29.700 0.059 0.000 0.748 288 E HN 0.303 nan 8.360 nan 0.000 0.449 289 I N 0.575 121.183 120.570 0.064 0.000 2.151 289 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 289 I C 2.324 178.497 176.117 0.093 0.000 1.080 289 I CA 1.026 62.373 61.300 0.079 0.000 1.339 289 I CB -0.277 37.795 38.000 0.120 0.000 1.039 289 I HN 0.114 nan 8.210 nan 0.000 0.409 290 F N 2.266 122.187 119.950 -0.050 0.000 2.126 290 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 290 F C 2.314 178.000 175.800 -0.190 0.000 1.096 290 F CA 1.793 59.750 58.000 -0.072 0.000 1.255 290 F CB -0.493 38.448 39.000 -0.098 0.000 0.997 290 F HN 0.123 nan 8.300 nan 0.000 0.479 291 N N -0.148 118.297 118.700 -0.425 0.000 2.376 291 N HA 0.049 4.789 4.740 -0.000 0.000 0.177 291 N C 1.681 177.017 175.510 -0.291 0.000 1.024 291 N CA 1.200 53.946 53.050 -0.507 0.000 0.893 291 N CB -0.192 37.961 38.487 -0.556 0.000 0.980 291 N HN 0.409 nan 8.380 nan 0.000 0.439 292 A N -0.011 122.700 122.820 -0.182 0.000 2.127 292 A HA 0.174 4.494 4.320 -0.000 0.000 0.204 292 A C 1.643 179.184 177.584 -0.073 0.000 1.243 292 A CA 0.147 52.119 52.037 -0.108 0.000 0.887 292 A CB 0.350 19.309 19.000 -0.069 0.000 0.933 292 A HN 0.105 nan 8.150 nan 0.000 0.479 293 Q N -0.630 119.138 119.800 -0.053 0.000 2.214 293 Q HA 0.295 4.635 4.340 -0.000 0.000 0.229 293 Q C -0.671 175.328 176.000 -0.001 0.000 0.835 293 Q CA -0.088 55.705 55.803 -0.016 0.000 0.953 293 Q CB 1.089 29.831 28.738 0.008 0.000 1.131 293 Q HN 0.374 nan 8.270 nan 0.000 0.501 294 I N 3.115 123.678 120.570 -0.011 0.000 2.321 294 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 294 I C -2.278 173.815 176.117 -0.040 0.000 0.998 294 I CA -2.822 58.497 61.300 0.032 0.000 1.227 294 I CB 0.614 38.688 38.000 0.123 0.000 1.368 294 I HN -0.171 nan 8.210 nan 0.000 0.466 295 P HA 0.050 nan 4.420 nan 0.000 0.269 295 P C 0.846 178.114 177.300 -0.054 0.000 1.215 295 P CA -0.065 63.015 63.100 -0.034 0.000 0.780 295 P CB 1.004 32.697 31.700 -0.012 0.000 0.898 296 E N 2.285 122.444 120.200 -0.068 0.000 2.114 296 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 296 E C 1.704 178.274 176.600 -0.051 0.000 1.008 296 E CA 2.425 58.782 56.400 -0.073 0.000 0.810 296 E CB -0.824 28.839 29.700 -0.062 0.000 0.739 296 E HN 0.449 nan 8.360 nan 0.000 0.456 297 S N -0.213 115.465 115.700 -0.037 0.000 2.400 297 S HA -0.166 4.304 4.470 -0.000 0.000 0.232 297 S C 1.829 176.410 174.600 -0.032 0.000 1.025 297 S CA 1.162 59.343 58.200 -0.032 0.000 0.993 297 S CB -0.328 62.857 63.200 -0.025 0.000 0.808 297 S HN 0.208 nan 8.310 nan 0.000 0.478 298 E N 1.615 121.806 120.200 -0.016 0.000 2.072 298 E HA 0.016 4.366 4.350 -0.000 0.000 0.190 298 E C 2.349 178.922 176.600 -0.045 0.000 0.982 298 E CA 0.757 57.153 56.400 -0.006 0.000 0.803 298 E CB -0.279 29.479 29.700 0.097 0.000 0.755 298 E HN 0.594 nan 8.360 nan 0.000 0.453 299 R N 0.905 121.390 120.500 -0.026 0.000 2.081 299 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 299 R C 2.433 178.739 176.300 0.010 0.000 1.131 299 R CA 1.369 57.475 56.100 0.010 0.000 0.960 299 R CB -0.148 30.096 30.300 -0.093 0.000 0.856 299 R HN 0.022 nan 8.270 nan 0.000 0.436 300 K N 0.767 121.151 120.400 -0.026 0.000 2.002 300 K HA -0.202 4.117 4.320 -0.000 0.000 0.209 300 K C 2.227 178.788 176.600 -0.066 0.000 1.048 300 K CA 1.522 57.790 56.287 -0.033 0.000 0.930 300 K CB -0.071 32.408 32.500 -0.036 0.000 0.714 300 K HN 0.019 nan 8.250 nan 0.000 0.438 301 R N 0.779 121.225 120.500 -0.090 0.000 2.096 301 R HA -0.149 4.190 4.340 -0.000 0.000 0.240 301 R C 2.370 178.537 176.300 -0.222 0.000 1.139 301 R CA 1.708 57.725 56.100 -0.138 0.000 0.952 301 R CB -0.346 29.879 30.300 -0.126 0.000 0.854 301 R HN 0.242 nan 8.270 nan 0.000 0.436 302 L N 0.081 121.143 121.223 -0.268 0.000 2.046 302 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 302 L C 2.689 179.420 176.870 -0.232 0.000 1.077 302 L CA 1.430 56.015 54.840 -0.425 0.000 0.747 302 L CB -0.533 41.212 42.059 -0.524 0.000 0.896 302 L HN 0.262 nan 8.230 nan 0.000 0.432 303 R N 0.156 120.629 120.500 -0.046 0.000 2.159 303 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 303 R C 2.533 178.756 176.300 -0.129 0.000 1.131 303 R CA 1.612 57.710 56.100 -0.003 0.000 0.982 303 R CB -0.344 29.978 30.300 0.037 0.000 0.868 303 R HN 0.504 nan 8.270 nan 0.000 0.453 304 S N 0.174 115.775 115.700 -0.166 0.000 2.453 304 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 304 S C 1.893 176.348 174.600 -0.242 0.000 1.005 304 S CA 0.570 58.657 58.200 -0.189 0.000 0.949 304 S CB -0.123 62.987 63.200 -0.150 0.000 0.774 304 S HN 0.220 nan 8.310 nan 0.000 0.510 305 L N -0.144 120.906 121.223 -0.288 0.000 2.145 305 L HA 0.240 4.580 4.340 -0.000 0.000 0.201 305 L C 1.288 178.024 176.870 -0.224 0.000 1.075 305 L CA 0.668 55.331 54.840 -0.296 0.000 0.773 305 L CB -0.276 41.476 42.059 -0.511 0.000 0.936 305 L HN 0.346 nan 8.230 nan 0.000 0.451 306 Q N -1.616 118.071 119.800 -0.188 0.000 2.553 306 Q HA 0.404 4.744 4.340 -0.000 0.000 0.293 306 Q C -1.587 174.335 176.000 -0.131 0.000 1.038 306 Q CA -0.751 54.997 55.803 -0.091 0.000 0.777 306 Q CB 2.273 31.105 28.738 0.157 0.000 1.487 306 Q HN -0.098 nan 8.270 nan 0.000 0.426 307 F N 1.394 121.417 119.950 0.122 0.000 2.424 307 F HA 0.257 4.784 4.527 -0.000 0.000 0.356 307 F C 0.002 175.882 175.800 0.132 0.000 1.110 307 F CA -0.613 57.453 58.000 0.109 0.000 1.161 307 F CB 0.628 39.672 39.000 0.074 0.000 1.115 307 F HN 0.222 nan 8.300 nan 0.000 0.507 308 L N 5.125 126.520 121.223 0.286 0.000 2.315 308 L HA 0.294 4.634 4.340 -0.000 0.000 0.278 308 L C 0.584 177.536 176.870 0.137 0.000 1.088 308 L CA 0.157 55.093 54.840 0.160 0.000 0.899 308 L CB -0.198 41.864 42.059 0.004 0.000 1.277 308 L HN 0.487 nan 8.230 nan 0.000 0.431 309 D N 1.934 122.408 120.400 0.124 0.000 2.317 309 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 309 D C -0.015 176.308 176.300 0.037 0.000 0.966 309 D CA 0.999 55.044 54.000 0.075 0.000 0.876 309 D CB 0.463 41.283 40.800 0.033 0.000 0.927 309 D HN 0.493 nan 8.370 nan 0.000 0.519 310 E N 0.816 121.029 120.200 0.021 0.000 3.037 310 E HA 0.073 4.423 4.350 -0.000 0.000 0.220 310 E C 0.899 177.490 176.600 -0.014 0.000 1.142 310 E CA -0.349 56.049 56.400 -0.005 0.000 0.888 310 E CB 1.333 31.017 29.700 -0.026 0.000 1.329 310 E HN 0.023 nan 8.360 nan 0.000 0.409 311 L N 1.761 122.991 121.223 0.011 0.000 2.079 311 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 311 L C 2.107 178.948 176.870 -0.048 0.000 1.081 311 L CA 2.062 56.921 54.840 0.032 0.000 0.752 311 L CB -0.029 42.108 42.059 0.130 0.000 0.896 311 L HN 0.302 nan 8.230 nan 0.000 0.433 312 E N -0.175 119.985 120.200 -0.066 0.000 2.153 312 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 312 E C 1.977 178.485 176.600 -0.153 0.000 0.988 312 E CA 1.529 57.844 56.400 -0.141 0.000 0.811 312 E CB -0.124 29.524 29.700 -0.086 0.000 0.746 312 E HN 0.643 nan 8.360 nan 0.000 0.466 313 E N -0.386 119.760 120.200 -0.089 0.000 2.106 313 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 313 E C 1.982 178.556 176.600 -0.044 0.000 0.984 313 E CA 0.948 57.316 56.400 -0.053 0.000 0.806 313 E CB -0.154 29.525 29.700 -0.034 0.000 0.750 313 E HN 0.248 nan 8.360 nan 0.000 0.458 314 L N 1.872 123.052 121.223 -0.073 0.000 2.056 314 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 314 L C 2.253 179.056 176.870 -0.112 0.000 1.078 314 L CA 1.881 56.689 54.840 -0.052 0.000 0.749 314 L CB -0.332 41.664 42.059 -0.105 0.000 0.901 314 L HN -0.097 nan 8.230 nan 0.000 0.433 315 K N -0.964 119.160 120.400 -0.460 0.000 2.032 315 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 315 K C 1.858 178.199 176.600 -0.431 0.000 1.048 315 K CA 2.042 57.739 56.287 -0.984 0.000 0.927 315 K CB -0.233 31.251 32.500 -1.693 0.000 0.712 315 K HN 0.278 nan 8.250 nan 0.000 0.441 316 V N 1.576 121.351 119.914 -0.233 0.000 2.407 316 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 316 V C 2.438 178.608 176.094 0.126 0.000 1.055 316 V CA 2.092 64.373 62.300 -0.031 0.000 1.049 316 V CB -0.385 31.438 31.823 -0.000 0.000 0.662 316 V HN 0.486 nan 8.190 nan 0.000 0.455 317 M N -0.769 118.907 119.600 0.127 0.000 2.098 317 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 317 M C 2.320 178.800 176.300 0.300 0.000 1.072 317 M CA 1.699 57.160 55.300 0.267 0.000 1.133 317 M CB -0.157 32.609 32.600 0.277 0.000 1.344 317 M HN 0.207 nan 8.290 nan 0.000 0.414 318 Q N -0.228 119.712 119.800 0.232 0.000 2.297 318 Q HA -0.092 4.248 4.340 -0.000 0.000 0.204 318 Q C 1.970 178.106 176.000 0.227 0.000 0.962 318 Q CA 1.929 57.907 55.803 0.292 0.000 0.879 318 Q CB -0.820 28.118 28.738 0.334 0.000 0.947 318 Q HN 0.728 nan 8.270 nan 0.000 0.462 319 T N -3.192 111.413 114.554 0.085 0.000 3.072 319 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 319 T C 0.896 175.395 174.700 -0.335 0.000 1.127 319 T CA 0.946 62.997 62.100 -0.082 0.000 1.107 319 T CB -0.232 68.515 68.868 -0.201 0.000 0.910 319 T HN 0.286 nan 8.240 nan 0.000 0.513 320 H N -0.147 118.719 119.070 -0.340 0.000 2.519 320 H HA 0.415 4.971 4.556 -0.000 0.000 0.289 320 H C -0.938 173.968 175.328 -0.703 0.000 1.040 320 H CA -0.302 55.325 56.048 -0.702 0.000 1.165 320 H CB -0.190 28.554 29.762 -1.697 0.000 1.462 320 H HN 0.429 nan 8.280 nan 0.000 0.555 321 Y N 0.419 120.602 120.300 -0.196 0.000 2.442 321 Y HA 0.354 4.904 4.550 -0.000 0.000 0.344 321 Y C -0.495 175.210 175.900 -0.324 0.000 0.976 321 Y CA -1.687 56.228 58.100 -0.309 0.000 1.040 321 Y CB 1.514 39.830 38.460 -0.240 0.000 1.228 321 Y HN -0.035 nan 8.280 nan 0.000 0.451 322 I N 1.063 121.411 120.570 -0.371 0.000 2.785 322 I HA 0.732 4.902 4.170 -0.000 0.000 0.302 322 I C -1.925 174.044 176.117 -0.247 0.000 1.069 322 I CA -1.418 59.714 61.300 -0.281 0.000 1.045 322 I CB 1.871 39.657 38.000 -0.358 0.000 1.236 322 I HN 0.404 nan 8.210 nan 0.000 0.429 323 L N 5.249 126.436 121.223 -0.058 0.000 2.319 323 L HA 0.701 5.041 4.340 -0.000 0.000 0.281 323 L C -0.981 175.877 176.870 -0.020 0.000 1.005 323 L CA -0.454 54.408 54.840 0.036 0.000 0.828 323 L CB 1.401 43.532 42.059 0.120 0.000 1.227 323 L HN 0.807 nan 8.230 nan 0.000 0.415 324 M N 5.160 124.732 119.600 -0.046 0.000 2.227 324 M HA 0.447 4.927 4.480 -0.000 0.000 0.335 324 M C -1.530 174.682 176.300 -0.147 0.000 1.053 324 M CA -0.350 54.884 55.300 -0.111 0.000 0.973 324 M CB 1.248 33.749 32.600 -0.165 0.000 1.623 324 M HN 0.580 nan 8.290 nan 0.000 0.434 325 K N 3.741 124.079 120.400 -0.105 0.000 2.394 325 K HA 0.744 5.064 4.320 -0.000 0.000 0.260 325 K C -0.961 175.604 176.600 -0.058 0.000 0.967 325 K CA -0.478 55.767 56.287 -0.070 0.000 0.855 325 K CB 1.764 34.257 32.500 -0.012 0.000 1.101 325 K HN 0.708 nan 8.250 nan 0.000 0.433 326 A N 3.391 126.186 122.820 -0.042 0.000 2.304 326 A HA 0.340 4.660 4.320 -0.000 0.000 0.314 326 A C -0.973 176.815 177.584 0.339 0.000 1.187 326 A CA -0.574 51.527 52.037 0.106 0.000 0.810 326 A CB 1.017 20.023 19.000 0.009 0.000 1.183 326 A HN 0.724 nan 8.150 nan 0.000 0.487 327 Q N 1.797 121.791 119.800 0.323 0.000 2.333 327 Q HA 0.649 4.989 4.340 -0.000 0.000 0.267 327 Q C -1.136 175.140 176.000 0.460 0.000 1.012 327 Q CA -0.584 55.403 55.803 0.307 0.000 0.824 327 Q CB 1.606 30.450 28.738 0.177 0.000 1.290 327 Q HN 0.852 nan 8.270 nan 0.000 0.449 328 W N 0.000 121.427 121.300 0.211 0.000 2.388 328 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 328 W CA 0.000 57.484 57.345 0.232 0.000 1.226 328 W CB 0.000 29.577 29.460 0.195 0.000 1.126 328 W HN 0.000 nan 8.180 nan 0.000 0.535