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 2oek_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAVMATYLLH DETDIRKKAE GIALGLTIGT WTDLPALEQE QLRKHKGEVV DATA SEQUENCE AIEELGESER VNAYFGKRLK RAIVKIAYPT VNFSADLPAL LVTTFGKLSL DATA SEQUENCE DGEVRLLDLE FPDEWKRQFP GPRFGIDGIR DRVGVHNRPL LMSIFKGMIG DATA SEQUENCE RDLAYLTSEL KKQALGGVDL VXDDEILFDS ELLPFEKRIT EGKAALQEVY DATA SEQUENCE EQTGKRTLYA VNLTGKTFAL KDKAKRAAEL GADVLLFNVF AYGLDVLQAL DATA SEQUENCE REDEEIAVPI MAHPAFSGAV TPSEFYGVAP SLWLGKLLRL AGADFVLFPS DATA SEQUENCE PYGSVALERE QALGIARALT DDQEPFARAF PVPSAGIHPG LVPLIIRDFG DATA SEQUENCE LDTIVNAGGG IHGHPDGAIG GGRAFRAAID AVLAGRPLRA AAAENEALQK DATA SEQUENCE AIDRWGVVEV EA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.601 174.600 0.002 0.000 1.055 2 S CA 0.000 58.210 58.200 0.016 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 A N 3.518 126.342 122.820 0.007 0.000 2.572 3 A HA 0.811 5.131 4.320 -0.000 0.000 0.295 3 A C -1.079 176.517 177.584 0.020 0.000 1.072 3 A CA -0.624 51.425 52.037 0.021 0.000 0.691 3 A CB 1.756 20.771 19.000 0.025 0.000 1.291 3 A HN 0.991 nan 8.150 nan 0.000 0.404 4 V N 2.581 122.537 119.914 0.071 0.000 2.461 4 V HA 0.372 4.491 4.120 -0.000 0.000 0.275 4 V C 0.302 176.435 176.094 0.066 0.000 1.047 4 V CA 0.018 62.343 62.300 0.042 0.000 0.955 4 V CB 1.171 33.047 31.823 0.088 0.000 0.988 4 V HN 0.877 nan 8.190 nan 0.000 0.471 5 M N 5.487 125.051 119.600 -0.060 0.000 2.088 5 M HA 0.673 5.152 4.480 -0.000 0.000 0.346 5 M C -0.123 176.102 176.300 -0.125 0.000 1.111 5 M CA -0.393 54.870 55.300 -0.061 0.000 1.017 5 M CB 0.980 33.521 32.600 -0.098 0.000 1.568 5 M HN 0.720 nan 8.290 nan 0.000 0.445 6 A N 3.788 126.572 122.820 -0.059 0.000 2.305 6 A HA 0.731 5.051 4.320 -0.000 0.000 0.322 6 A C -0.546 176.785 177.584 -0.422 0.000 1.187 6 A CA -0.489 51.377 52.037 -0.284 0.000 0.825 6 A CB 0.900 19.749 19.000 -0.253 0.000 1.164 6 A HN 0.758 nan 8.150 nan 0.000 0.498 7 T N 2.398 116.637 114.554 -0.525 0.000 2.779 7 T HA 0.599 4.949 4.350 -0.000 0.000 0.280 7 T C -1.171 173.240 174.700 -0.482 0.000 0.987 7 T CA 0.223 62.107 62.100 -0.360 0.000 0.966 7 T CB 0.223 68.960 68.868 -0.219 0.000 0.933 7 T HN 0.449 nan 8.240 nan 0.000 0.442 8 Y N 1.382 121.652 120.300 -0.051 0.000 2.570 8 Y HA 0.712 5.261 4.550 -0.000 0.000 0.345 8 Y C -0.435 175.444 175.900 -0.035 0.000 1.014 8 Y CA -1.542 56.530 58.100 -0.047 0.000 1.063 8 Y CB 1.341 39.806 38.460 0.009 0.000 1.272 8 Y HN 0.427 nan 8.280 nan 0.000 0.477 9 L N 2.716 124.036 121.223 0.163 0.000 2.305 9 L HA 0.693 5.033 4.340 -0.000 0.000 0.284 9 L C -1.875 175.067 176.870 0.120 0.000 1.013 9 L CA -0.580 54.309 54.840 0.083 0.000 0.819 9 L CB 0.739 42.839 42.059 0.068 0.000 1.227 9 L HN 0.516 nan 8.230 nan 0.000 0.417 10 L N 4.971 126.210 121.223 0.026 0.000 2.362 10 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 10 L C -0.990 175.821 176.870 -0.098 0.000 1.002 10 L CA -0.364 54.501 54.840 0.041 0.000 0.818 10 L CB 1.972 44.036 42.059 0.009 0.000 1.298 10 L HN 0.588 nan 8.230 nan 0.000 0.420 11 H N 0.651 119.698 119.070 -0.037 0.000 2.609 11 H HA 0.720 5.276 4.556 0.000 0.000 0.344 11 H C -1.372 173.858 175.328 -0.162 0.000 1.040 11 H CA -0.661 55.325 56.048 -0.104 0.000 1.216 11 H CB 1.729 31.387 29.762 -0.174 0.000 1.529 11 H HN 0.521 nan 8.280 nan 0.000 0.519 12 D N 0.201 120.567 120.400 -0.057 0.000 2.706 12 D HA 0.079 4.718 4.640 -0.000 0.000 0.225 12 D C 0.254 176.505 176.300 -0.082 0.000 1.241 12 D CA -0.549 53.400 54.000 -0.086 0.000 0.784 12 D CB 1.470 42.236 40.800 -0.056 0.000 1.521 12 D HN 0.724 nan 8.370 nan 0.000 0.461 13 E N 0.255 120.403 120.200 -0.087 0.000 2.435 13 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 13 E C 0.528 177.101 176.600 -0.045 0.000 1.029 13 E CA 0.273 56.636 56.400 -0.063 0.000 0.865 13 E CB 0.055 29.718 29.700 -0.062 0.000 0.833 13 E HN 0.400 nan 8.360 nan 0.000 0.510 14 T N -0.926 113.602 114.554 -0.044 0.000 2.936 14 T HA 0.187 4.537 4.350 -0.000 0.000 0.282 14 T C -0.207 174.474 174.700 -0.032 0.000 1.003 14 T CA -0.870 61.211 62.100 -0.033 0.000 1.005 14 T CB 1.542 70.392 68.868 -0.030 0.000 1.097 14 T HN -0.069 nan 8.240 nan 0.000 0.532 15 D N 0.580 120.965 120.400 -0.026 0.000 2.502 15 D HA -0.017 4.622 4.640 -0.000 0.000 0.249 15 D C 1.231 177.514 176.300 -0.028 0.000 1.188 15 D CA -0.180 53.805 54.000 -0.025 0.000 0.890 15 D CB 0.119 40.907 40.800 -0.019 0.000 1.140 15 D HN 0.402 nan 8.370 nan 0.000 0.505 16 I N 4.003 124.554 120.570 -0.031 0.000 2.252 16 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 16 I C 2.320 178.419 176.117 -0.029 0.000 1.102 16 I CA 1.127 62.407 61.300 -0.033 0.000 1.385 16 I CB -0.929 37.048 38.000 -0.038 0.000 1.064 16 I HN 0.626 nan 8.210 nan 0.000 0.414 17 R N 1.519 122.003 120.500 -0.026 0.000 2.081 17 R HA -0.222 4.117 4.340 -0.000 0.000 0.235 17 R C 2.344 178.629 176.300 -0.024 0.000 1.131 17 R CA 1.810 57.895 56.100 -0.025 0.000 0.960 17 R CB -0.147 30.139 30.300 -0.022 0.000 0.856 17 R HN 0.241 nan 8.270 nan 0.000 0.436 18 K N 0.749 121.136 120.400 -0.021 0.000 2.026 18 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 18 K C 2.111 178.699 176.600 -0.020 0.000 1.048 18 K CA 1.908 58.184 56.287 -0.017 0.000 0.929 18 K CB -0.078 32.414 32.500 -0.014 0.000 0.713 18 K HN 0.077 nan 8.250 nan 0.000 0.439 19 K N 0.007 120.392 120.400 -0.025 0.000 2.057 19 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 19 K C 1.973 178.552 176.600 -0.036 0.000 1.049 19 K CA 1.269 57.539 56.287 -0.029 0.000 0.931 19 K CB -0.214 32.266 32.500 -0.033 0.000 0.714 19 K HN 0.241 nan 8.250 nan 0.000 0.440 20 A N 1.416 124.213 122.820 -0.038 0.000 1.902 20 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 20 A C 1.837 179.394 177.584 -0.044 0.000 1.181 20 A CA 1.813 53.824 52.037 -0.044 0.000 0.623 20 A CB -0.515 18.465 19.000 -0.032 0.000 0.818 20 A HN 0.505 nan 8.150 nan 0.000 0.443 21 E N -0.741 119.436 120.200 -0.037 0.000 2.110 21 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 21 E C 2.091 178.674 176.600 -0.029 0.000 0.988 21 E CA 0.730 57.106 56.400 -0.039 0.000 0.804 21 E CB -0.360 29.322 29.700 -0.029 0.000 0.745 21 E HN 0.619 nan 8.360 nan 0.000 0.458 22 G N 1.194 109.983 108.800 -0.019 0.000 2.422 22 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 22 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 22 G C 1.581 176.480 174.900 -0.003 0.000 1.140 22 G CA 0.380 45.477 45.100 -0.006 0.000 0.775 22 G HN 0.102 nan 8.290 nan 0.000 0.545 23 I N 1.178 121.739 120.570 -0.015 0.000 2.193 23 I HA -0.095 4.075 4.170 -0.000 0.000 0.240 23 I C 3.296 179.424 176.117 0.019 0.000 1.084 23 I CA 0.888 62.188 61.300 0.001 0.000 1.365 23 I CB -0.271 37.708 38.000 -0.035 0.000 1.064 23 I HN 0.218 nan 8.210 nan 0.000 0.410 24 A N 0.648 123.442 122.820 -0.044 0.000 1.948 24 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 24 A C 2.240 179.797 177.584 -0.046 0.000 1.177 24 A CA 1.923 53.894 52.037 -0.111 0.000 0.636 24 A CB -0.758 18.151 19.000 -0.152 0.000 0.815 24 A HN 0.412 nan 8.150 nan 0.000 0.449 25 L N -0.670 120.543 121.223 -0.018 0.000 2.102 25 L HA 0.196 4.536 4.340 -0.000 0.000 0.202 25 L C 2.441 179.343 176.870 0.054 0.000 1.076 25 L CA 2.129 56.977 54.840 0.014 0.000 0.761 25 L CB -1.075 40.996 42.059 0.020 0.000 0.921 25 L HN 0.265 nan 8.230 nan 0.000 0.444 26 G N -0.264 108.567 108.800 0.051 0.000 2.442 26 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.219 26 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.219 26 G C 1.432 176.381 174.900 0.083 0.000 1.141 26 G CA 0.949 46.084 45.100 0.060 0.000 0.763 26 G HN 0.389 nan 8.290 nan 0.000 0.554 27 L N 1.200 122.494 121.223 0.118 0.000 2.611 27 L HA 0.184 4.524 4.340 -0.000 0.000 0.229 27 L C 2.123 179.123 176.870 0.216 0.000 1.137 27 L CA 0.652 55.595 54.840 0.172 0.000 0.901 27 L CB -0.065 42.151 42.059 0.261 0.000 1.098 27 L HN 0.450 nan 8.230 nan 0.000 0.456 28 T N -3.219 111.438 114.554 0.170 0.000 2.964 28 T HA 0.138 4.488 4.350 -0.000 0.000 0.161 28 T C 1.372 176.154 174.700 0.137 0.000 0.859 28 T CA 0.055 62.264 62.100 0.181 0.000 1.015 28 T CB -0.338 68.628 68.868 0.164 0.000 2.138 28 T HN 0.101 nan 8.240 nan 0.000 0.367 29 I N -0.626 120.021 120.570 0.128 0.000 3.578 29 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 29 I C 1.948 178.137 176.117 0.120 0.000 1.280 29 I CA 0.551 61.930 61.300 0.132 0.000 1.347 29 I CB -0.746 37.366 38.000 0.186 0.000 1.051 29 I HN 0.815 nan 8.210 nan 0.000 0.460 30 G N 2.012 110.876 108.800 0.106 0.000 3.444 30 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.222 30 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.222 30 G C 0.534 175.496 174.900 0.103 0.000 1.358 30 G CA 0.663 45.817 45.100 0.090 0.000 0.880 30 G HN 0.835 nan 8.290 nan 0.000 0.555 31 T N -4.037 110.597 114.554 0.134 0.000 2.896 31 T HA 0.646 4.996 4.350 -0.000 0.000 0.297 31 T C 0.067 174.929 174.700 0.270 0.000 1.108 31 T CA 0.323 62.515 62.100 0.154 0.000 1.004 31 T CB 2.546 71.471 68.868 0.094 0.000 1.159 31 T HN 1.052 nan 8.240 nan 0.000 0.499 32 W N 1.117 122.428 121.300 0.019 0.000 4.977 32 W HA -0.016 4.644 4.660 -0.000 0.000 0.185 32 W C 1.799 178.328 176.519 0.016 0.000 1.003 32 W CA 0.585 57.943 57.345 0.020 0.000 1.997 32 W CB -0.297 29.174 29.460 0.020 0.000 0.712 32 W HN 0.843 nan 8.180 nan 0.000 1.014 33 T N -0.274 114.305 114.554 0.041 0.000 2.977 33 T HA -0.220 4.129 4.350 -0.000 0.000 0.271 33 T C 0.908 175.533 174.700 -0.124 0.000 1.105 33 T CA 1.816 63.862 62.100 -0.090 0.000 1.116 33 T CB -0.637 68.256 68.868 0.042 0.000 0.878 33 T HN 0.249 nan 8.240 nan 0.000 0.509 34 D N 0.562 120.910 120.400 -0.086 0.000 2.342 34 D HA 0.125 4.765 4.640 -0.000 0.000 0.221 34 D C 0.322 176.556 176.300 -0.110 0.000 1.101 34 D CA -0.366 53.590 54.000 -0.074 0.000 0.837 34 D CB -0.403 40.382 40.800 -0.026 0.000 0.938 34 D HN 0.406 nan 8.370 nan 0.000 0.508 35 L N 0.659 121.761 121.223 -0.202 0.000 2.307 35 L HA 0.440 4.780 4.340 -0.000 0.000 0.282 35 L C -2.149 174.578 176.870 -0.239 0.000 1.051 35 L CA -2.041 52.669 54.840 -0.217 0.000 0.804 35 L CB 1.453 43.342 42.059 -0.284 0.000 1.197 35 L HN -0.287 nan 8.230 nan 0.000 0.431 36 P HA 0.090 nan 4.420 nan 0.000 0.273 36 P C 0.185 177.395 177.300 -0.150 0.000 1.250 36 P CA -0.215 62.810 63.100 -0.126 0.000 0.793 36 P CB 0.763 32.417 31.700 -0.076 0.000 1.011 37 A N 0.941 123.694 122.820 -0.112 0.000 1.883 37 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 37 A C 2.077 179.623 177.584 -0.062 0.000 1.186 37 A CA 1.697 53.677 52.037 -0.095 0.000 0.624 37 A CB -1.663 17.304 19.000 -0.056 0.000 0.822 37 A HN 0.506 nan 8.150 nan 0.000 0.444 38 L N -0.799 120.400 121.223 -0.040 0.000 2.042 38 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 38 L C 2.639 179.507 176.870 -0.003 0.000 1.076 38 L CA 1.870 56.703 54.840 -0.013 0.000 0.749 38 L CB -0.544 41.510 42.059 -0.008 0.000 0.893 38 L HN 0.501 nan 8.230 nan 0.000 0.432 39 E N -0.674 119.510 120.200 -0.027 0.000 2.107 39 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 39 E C 2.231 178.836 176.600 0.008 0.000 0.982 39 E CA 0.734 57.131 56.400 -0.006 0.000 0.809 39 E CB -0.013 29.670 29.700 -0.028 0.000 0.756 39 E HN 0.550 nan 8.360 nan 0.000 0.459 40 Q N 0.725 120.461 119.800 -0.106 0.000 2.084 40 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 40 Q C 2.159 178.273 176.000 0.191 0.000 0.978 40 Q CA 1.571 57.276 55.803 -0.163 0.000 0.844 40 Q CB -0.137 28.260 28.738 -0.567 0.000 0.898 40 Q HN 0.438 nan 8.270 nan 0.000 0.426 41 E N 0.574 120.839 120.200 0.109 0.000 2.274 41 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 41 E C 1.926 178.608 176.600 0.136 0.000 0.996 41 E CA 0.730 57.211 56.400 0.135 0.000 0.840 41 E CB -0.122 29.625 29.700 0.077 0.000 0.772 41 E HN 0.337 nan 8.360 nan 0.000 0.491 42 Q N 0.917 120.795 119.800 0.130 0.000 2.096 42 Q HA -0.033 4.307 4.340 -0.000 0.000 0.197 42 Q C 1.979 178.111 176.000 0.220 0.000 0.964 42 Q CA 0.879 56.766 55.803 0.140 0.000 0.838 42 Q CB 0.174 28.977 28.738 0.109 0.000 0.906 42 Q HN 0.395 nan 8.270 nan 0.000 0.444 43 L N 0.339 121.727 121.223 0.274 0.000 2.607 43 L HA 0.157 4.497 4.340 -0.000 0.000 0.228 43 L C 2.061 179.129 176.870 0.331 0.000 1.123 43 L CA -0.222 54.838 54.840 0.367 0.000 0.890 43 L CB -0.002 42.260 42.059 0.337 0.000 1.103 43 L HN 0.080 nan 8.230 nan 0.000 0.468 44 R N 2.410 123.081 120.500 0.286 0.000 2.096 44 R HA -0.210 4.129 4.340 -0.000 0.000 0.240 44 R C 2.192 178.493 176.300 0.002 0.000 1.139 44 R CA 2.007 58.190 56.100 0.138 0.000 0.952 44 R CB -0.278 30.117 30.300 0.158 0.000 0.854 44 R HN 0.457 nan 8.270 nan 0.000 0.436 45 K N -1.510 118.869 120.400 -0.035 0.000 2.362 45 K HA -0.133 4.187 4.320 -0.000 0.000 0.200 45 K C 0.938 177.409 176.600 -0.216 0.000 1.046 45 K CA 1.560 57.752 56.287 -0.158 0.000 0.952 45 K CB -0.185 32.172 32.500 -0.239 0.000 0.753 45 K HN 0.382 nan 8.250 nan 0.000 0.466 46 H N 0.707 119.804 119.070 0.045 0.000 2.575 46 H HA 0.163 4.719 4.556 -0.000 0.000 0.267 46 H C -0.106 175.247 175.328 0.041 0.000 0.966 46 H CA -0.007 56.079 56.048 0.063 0.000 1.165 46 H CB 0.402 30.219 29.762 0.091 0.000 1.433 46 H HN 0.149 nan 8.280 nan 0.000 0.544 47 K N 1.659 122.093 120.400 0.057 0.000 2.349 47 K HA 0.208 4.528 4.320 -0.000 0.000 0.288 47 K C 0.476 177.025 176.600 -0.085 0.000 1.058 47 K CA -0.281 55.971 56.287 -0.059 0.000 0.953 47 K CB 0.669 32.997 32.500 -0.285 0.000 0.997 47 K HN 0.150 nan 8.250 nan 0.000 0.477 48 G N 3.186 111.944 108.800 -0.071 0.000 2.539 48 G HA2 0.214 4.174 3.960 -0.000 0.000 0.258 48 G HA3 0.214 4.174 3.960 -0.000 0.000 0.258 48 G C -0.798 173.989 174.900 -0.189 0.000 1.202 48 G CA -0.369 44.645 45.100 -0.144 0.000 0.851 48 G HN 0.612 nan 8.290 nan 0.000 0.556 49 E N -0.321 119.751 120.200 -0.213 0.000 2.366 49 E HA 0.238 4.588 4.350 -0.000 0.000 0.278 49 E C -0.978 175.525 176.600 -0.162 0.000 0.923 49 E CA -0.745 55.550 56.400 -0.176 0.000 0.761 49 E CB 2.315 31.924 29.700 -0.151 0.000 1.231 49 E HN 0.197 nan 8.360 nan 0.000 0.443 50 V N 2.937 122.778 119.914 -0.122 0.000 2.415 50 V HA 0.004 4.124 4.120 -0.000 0.000 0.267 50 V C 1.368 177.416 176.094 -0.076 0.000 1.042 50 V CA 0.154 62.401 62.300 -0.089 0.000 1.000 50 V CB 0.755 32.540 31.823 -0.064 0.000 1.015 50 V HN 0.561 nan 8.190 nan 0.000 0.478 51 V N 4.308 124.180 119.914 -0.070 0.000 2.535 51 V HA 0.265 4.385 4.120 -0.000 0.000 0.246 51 V C 0.900 176.966 176.094 -0.046 0.000 1.045 51 V CA 1.600 63.864 62.300 -0.061 0.000 1.058 51 V CB -0.166 31.620 31.823 -0.062 0.000 0.689 51 V HN 0.975 nan 8.190 nan 0.000 0.461 52 A N -0.842 121.956 122.820 -0.038 0.000 2.597 52 A HA 0.754 5.073 4.320 -0.000 0.000 0.292 52 A C -1.548 176.023 177.584 -0.022 0.000 1.057 52 A CA -0.424 51.594 52.037 -0.031 0.000 0.674 52 A CB 1.283 20.263 19.000 -0.033 0.000 1.278 52 A HN 0.086 nan 8.150 nan 0.000 0.416 53 I N 1.003 121.560 120.570 -0.023 0.000 2.548 53 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 53 I C -0.490 175.613 176.117 -0.024 0.000 1.103 53 I CA -0.128 61.160 61.300 -0.020 0.000 1.049 53 I CB 2.102 40.089 38.000 -0.021 0.000 1.232 53 I HN 0.801 nan 8.210 nan 0.000 0.429 54 E N 6.763 126.948 120.200 -0.025 0.000 2.092 54 E HA 0.276 4.625 4.350 -0.000 0.000 0.271 54 E C -0.710 175.869 176.600 -0.033 0.000 0.919 54 E CA -0.511 55.872 56.400 -0.029 0.000 0.760 54 E CB 1.083 30.765 29.700 -0.030 0.000 1.106 54 E HN 0.521 nan 8.360 nan 0.000 0.408 55 E N 4.025 124.206 120.200 -0.032 0.000 2.344 55 E HA 0.069 4.419 4.350 -0.000 0.000 0.270 55 E C 0.608 177.186 176.600 -0.036 0.000 1.021 55 E CA 0.060 56.438 56.400 -0.036 0.000 0.887 55 E CB 1.084 30.767 29.700 -0.029 0.000 0.997 55 E HN 0.591 nan 8.360 nan 0.000 0.429 56 L N 2.339 123.534 121.223 -0.046 0.000 2.664 56 L HA 0.257 4.597 4.340 -0.000 0.000 0.233 56 L C 0.913 177.766 176.870 -0.029 0.000 1.113 56 L CA 0.088 54.903 54.840 -0.041 0.000 0.896 56 L CB -0.024 42.000 42.059 -0.058 0.000 1.163 56 L HN 0.798 nan 8.230 nan 0.000 0.497 57 G N 1.210 109.993 108.800 -0.029 0.000 2.758 57 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 57 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 57 G C -0.564 174.332 174.900 -0.008 0.000 1.389 57 G CA -0.744 44.347 45.100 -0.015 0.000 0.845 57 G HN 0.217 nan 8.290 nan 0.000 0.572 58 E N -0.489 119.715 120.200 0.006 0.000 2.349 58 E HA 0.507 4.857 4.350 -0.000 0.000 0.265 58 E C 0.231 176.860 176.600 0.048 0.000 1.064 58 E CA 0.091 56.508 56.400 0.027 0.000 0.886 58 E CB 1.380 31.096 29.700 0.027 0.000 1.036 58 E HN 0.574 nan 8.360 nan 0.000 0.413 59 S N 1.374 117.125 115.700 0.085 0.000 2.456 59 S HA 0.094 4.563 4.470 -0.000 0.000 0.316 59 S C 0.607 175.273 174.600 0.111 0.000 1.089 59 S CA -0.713 57.548 58.200 0.102 0.000 1.101 59 S CB 0.825 64.113 63.200 0.147 0.000 0.995 59 S HN 0.402 nan 8.310 nan 0.000 0.468 60 E N 3.919 124.170 120.200 0.084 0.000 2.110 60 E HA -0.140 4.209 4.350 -0.000 0.000 0.193 60 E C 1.894 178.557 176.600 0.105 0.000 0.988 60 E CA 0.829 57.278 56.400 0.082 0.000 0.804 60 E CB -0.221 29.514 29.700 0.058 0.000 0.745 60 E HN 0.773 nan 8.360 nan 0.000 0.458 61 R N 0.851 121.416 120.500 0.109 0.000 2.073 61 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 61 R C 2.234 178.650 176.300 0.192 0.000 1.134 61 R CA 1.347 57.519 56.100 0.120 0.000 0.952 61 R CB -0.107 30.247 30.300 0.091 0.000 0.850 61 R HN 0.011 nan 8.270 nan 0.000 0.433 62 V N 1.802 121.865 119.914 0.248 0.000 2.358 62 V HA -0.215 3.904 4.120 -0.000 0.000 0.246 62 V C 1.833 178.151 176.094 0.372 0.000 1.047 62 V CA 1.889 64.425 62.300 0.393 0.000 1.035 62 V CB -0.665 31.437 31.823 0.465 0.000 0.658 62 V HN 0.409 nan 8.190 nan 0.000 0.452 63 N N 0.794 119.639 118.700 0.242 0.000 2.104 63 N HA -0.140 4.599 4.740 -0.000 0.000 0.190 63 N C 1.861 177.468 175.510 0.161 0.000 1.024 63 N CA 1.742 54.900 53.050 0.180 0.000 0.853 63 N CB -0.611 37.943 38.487 0.111 0.000 1.008 63 N HN 0.489 nan 8.380 nan 0.000 0.424 64 A N -0.001 122.907 122.820 0.147 0.000 1.902 64 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 64 A C 2.179 179.830 177.584 0.111 0.000 1.181 64 A CA 1.188 53.290 52.037 0.110 0.000 0.623 64 A CB -0.999 18.061 19.000 0.100 0.000 0.818 64 A HN 0.413 nan 8.150 nan 0.000 0.443 65 Y N -0.616 119.688 120.300 0.008 0.000 2.145 65 Y HA -0.192 4.357 4.550 -0.000 0.000 0.286 65 Y C 1.799 177.570 175.900 -0.214 0.000 1.145 65 Y CA 1.802 59.835 58.100 -0.112 0.000 1.148 65 Y CB -0.559 37.810 38.460 -0.150 0.000 0.981 65 Y HN 0.261 nan 8.280 nan 0.000 0.507 66 F N 0.039 119.868 119.950 -0.202 0.000 2.558 66 F HA 0.184 4.712 4.527 0.001 0.000 0.298 66 F C 2.082 177.770 175.800 -0.186 0.000 1.119 66 F CA 1.170 58.987 58.000 -0.305 0.000 1.451 66 F CB -0.413 38.452 39.000 -0.224 0.000 1.091 66 F HN 0.214 nan 8.300 nan 0.000 0.563 67 G N 1.139 109.962 108.800 0.037 0.000 2.147 67 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 67 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 67 G C 0.067 174.989 174.900 0.036 0.000 1.005 67 G CA 0.557 45.668 45.100 0.018 0.000 0.713 67 G HN 0.540 nan 8.290 nan 0.000 0.515 68 K N -2.000 118.438 120.400 0.064 0.000 2.615 68 K HA 0.614 4.933 4.320 -0.000 0.000 0.291 68 K C -0.601 176.020 176.600 0.035 0.000 1.017 68 K CA -1.349 54.958 56.287 0.034 0.000 0.882 68 K CB 1.043 33.549 32.500 0.010 0.000 1.522 68 K HN 0.085 nan 8.250 nan 0.000 0.412 69 R N 1.262 121.769 120.500 0.012 0.000 2.248 69 R HA 0.286 4.626 4.340 -0.000 0.000 0.328 69 R C -0.688 175.601 176.300 -0.018 0.000 1.067 69 R CA -0.679 55.426 56.100 0.010 0.000 0.924 69 R CB 0.321 30.624 30.300 0.005 0.000 1.013 69 R HN 0.281 nan 8.270 nan 0.000 0.454 70 L N 4.233 125.449 121.223 -0.012 0.000 2.305 70 L HA 0.356 4.696 4.340 -0.000 0.000 0.284 70 L C 0.279 177.138 176.870 -0.019 0.000 1.013 70 L CA -0.471 54.340 54.840 -0.048 0.000 0.819 70 L CB 1.371 43.369 42.059 -0.101 0.000 1.227 70 L HN 0.480 nan 8.230 nan 0.000 0.417 71 K N 3.770 124.144 120.400 -0.042 0.000 2.295 71 K HA 0.449 4.769 4.320 -0.000 0.000 0.270 71 K C -0.265 176.280 176.600 -0.092 0.000 1.011 71 K CA -0.373 55.885 56.287 -0.049 0.000 0.953 71 K CB 1.068 33.540 32.500 -0.047 0.000 0.956 71 K HN 0.453 nan 8.250 nan 0.000 0.477 72 R N 0.567 120.998 120.500 -0.116 0.000 2.686 72 R HA 0.707 5.047 4.340 -0.000 0.000 0.286 72 R C -1.274 174.937 176.300 -0.148 0.000 0.969 72 R CA -0.885 55.082 56.100 -0.220 0.000 0.898 72 R CB 2.179 32.323 30.300 -0.260 0.000 1.183 72 R HN 0.707 nan 8.270 nan 0.000 0.456 73 A N 2.734 125.462 122.820 -0.153 0.000 2.605 73 A HA 0.509 4.829 4.320 -0.000 0.000 0.294 73 A C -1.252 176.295 177.584 -0.061 0.000 1.062 73 A CA -0.724 51.262 52.037 -0.086 0.000 0.682 73 A CB 1.251 20.216 19.000 -0.058 0.000 1.278 73 A HN 0.636 nan 8.150 nan 0.000 0.410 74 I N 1.737 122.285 120.570 -0.037 0.000 2.315 74 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 74 I C -0.671 175.452 176.117 0.010 0.000 1.006 74 I CA -0.704 60.588 61.300 -0.012 0.000 1.265 74 I CB 1.503 39.486 38.000 -0.027 0.000 1.387 74 I HN 0.326 nan 8.210 nan 0.000 0.475 75 V N 6.982 126.934 119.914 0.063 0.000 2.495 75 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 75 V C -0.133 176.035 176.094 0.124 0.000 1.031 75 V CA -0.854 61.498 62.300 0.086 0.000 0.871 75 V CB 1.898 33.784 31.823 0.105 0.000 0.988 75 V HN 0.624 nan 8.190 nan 0.000 0.432 76 K N 5.256 125.689 120.400 0.054 0.000 2.323 76 K HA 0.721 5.041 4.320 -0.000 0.000 0.259 76 K C -1.258 175.351 176.600 0.015 0.000 0.947 76 K CA -0.413 55.885 56.287 0.018 0.000 0.819 76 K CB 2.116 34.594 32.500 -0.037 0.000 1.109 76 K HN 0.522 nan 8.250 nan 0.000 0.429 77 I N 1.879 122.469 120.570 0.033 0.000 2.545 77 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 77 I C -0.531 175.463 176.117 -0.205 0.000 1.040 77 I CA -1.037 60.202 61.300 -0.102 0.000 1.068 77 I CB 2.124 40.056 38.000 -0.114 0.000 1.251 77 I HN 0.600 nan 8.210 nan 0.000 0.424 78 A N 5.964 128.622 122.820 -0.270 0.000 2.260 78 A HA 0.684 5.004 4.320 -0.000 0.000 0.314 78 A C -1.490 175.933 177.584 -0.268 0.000 1.257 78 A CA -0.212 51.716 52.037 -0.181 0.000 0.871 78 A CB 0.184 19.121 19.000 -0.106 0.000 1.166 78 A HN 0.584 nan 8.150 nan 0.000 0.522 79 Y N 2.924 123.263 120.300 0.065 0.000 2.334 79 Y HA 0.380 4.930 4.550 -0.000 0.000 0.336 79 Y C -2.301 173.695 175.900 0.160 0.000 0.960 79 Y CA -2.453 55.728 58.100 0.135 0.000 1.164 79 Y CB 1.384 39.951 38.460 0.178 0.000 1.155 79 Y HN 0.515 nan 8.280 nan 0.000 0.478 80 P HA -0.052 nan 4.420 nan 0.000 0.262 80 P C 0.914 178.254 177.300 0.067 0.000 1.182 80 P CA 0.434 63.602 63.100 0.113 0.000 0.761 80 P CB 0.739 32.480 31.700 0.069 0.000 0.795 81 T N -1.136 113.351 114.554 -0.112 0.000 3.007 81 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 81 T C 1.328 175.788 174.700 -0.400 0.000 1.107 81 T CA 1.163 62.982 62.100 -0.468 0.000 1.118 81 T CB -0.987 67.724 68.868 -0.261 0.000 0.889 81 T HN 0.263 nan 8.240 nan 0.000 0.506 82 V N -0.683 119.153 119.914 -0.131 0.000 3.380 82 V HA 0.130 4.250 4.120 -0.000 0.000 0.268 82 V C 1.761 177.929 176.094 0.123 0.000 1.168 82 V CA 0.874 63.161 62.300 -0.021 0.000 1.156 82 V CB -1.075 30.721 31.823 -0.046 0.000 0.785 82 V HN 0.236 nan 8.190 nan 0.000 0.487 83 N N 1.010 119.788 118.700 0.131 0.000 2.416 83 N HA 0.209 4.949 4.740 -0.000 0.000 0.177 83 N C 0.102 175.821 175.510 0.348 0.000 1.036 83 N CA 0.885 54.127 53.050 0.320 0.000 0.901 83 N CB 0.026 38.784 38.487 0.451 0.000 0.976 83 N HN 0.861 nan 8.380 nan 0.000 0.444 84 F N -2.162 117.905 119.950 0.195 0.000 2.643 84 F HA 0.630 5.157 4.527 0.000 0.000 0.314 84 F C 0.091 176.028 175.800 0.230 0.000 1.096 84 F CA -1.755 56.357 58.000 0.188 0.000 0.953 84 F CB 0.548 39.653 39.000 0.175 0.000 1.345 84 F HN -0.253 nan 8.300 nan 0.000 0.468 85 S N 0.423 116.353 115.700 0.384 0.000 2.593 85 S HA 0.550 5.020 4.470 -0.000 0.000 0.269 85 S C 0.229 175.066 174.600 0.394 0.000 1.334 85 S CA -0.307 58.055 58.200 0.271 0.000 1.015 85 S CB 1.160 64.482 63.200 0.203 0.000 0.912 85 S HN 1.252 nan 8.310 nan 0.000 0.541 86 A N 1.909 124.857 122.820 0.213 0.000 3.063 86 A HA 0.455 4.774 4.320 -0.000 0.000 0.263 86 A C -0.084 177.575 177.584 0.125 0.000 1.736 86 A CA -0.534 51.587 52.037 0.140 0.000 1.408 86 A CB -1.588 17.259 19.000 -0.256 0.000 1.108 86 A HN 0.910 nan 8.150 nan 0.000 0.621 87 D N -1.228 119.426 120.400 0.424 0.000 2.661 87 D HA 0.390 5.030 4.640 -0.000 0.000 0.228 87 D C 0.548 177.114 176.300 0.444 0.000 1.210 87 D CA -0.838 53.391 54.000 0.382 0.000 0.826 87 D CB 0.676 41.599 40.800 0.206 0.000 1.542 87 D HN -0.017 nan 8.370 nan 0.000 0.447 88 L N 0.039 121.472 121.223 0.349 0.000 2.083 88 L HA 0.016 4.355 4.340 -0.000 0.000 0.209 88 L C -0.774 176.214 176.870 0.197 0.000 1.083 88 L CA 1.177 56.148 54.840 0.219 0.000 0.752 88 L CB -1.316 40.816 42.059 0.123 0.000 0.899 88 L HN 0.387 nan 8.230 nan 0.000 0.433 89 P HA -0.136 nan 4.420 nan 0.000 0.217 89 P C 1.511 178.891 177.300 0.134 0.000 1.150 89 P CA 1.612 64.806 63.100 0.156 0.000 0.832 89 P CB 0.047 31.833 31.700 0.143 0.000 0.787 90 A N -0.619 122.303 122.820 0.170 0.000 1.930 90 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 90 A C 2.108 179.654 177.584 -0.065 0.000 1.175 90 A CA 1.318 53.438 52.037 0.137 0.000 0.627 90 A CB -1.634 17.556 19.000 0.317 0.000 0.815 90 A HN 0.156 nan 8.150 nan 0.000 0.443 91 L N -0.140 121.088 121.223 0.008 0.000 2.017 91 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 91 L C 2.268 179.044 176.870 -0.156 0.000 1.073 91 L CA 1.799 56.524 54.840 -0.192 0.000 0.745 91 L CB -0.476 41.662 42.059 0.131 0.000 0.894 91 L HN 0.392 nan 8.230 nan 0.000 0.432 92 L N -1.577 119.661 121.223 0.024 0.000 2.046 92 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 92 L C 2.423 179.315 176.870 0.037 0.000 1.077 92 L CA 0.993 55.887 54.840 0.090 0.000 0.747 92 L CB -0.581 41.597 42.059 0.198 0.000 0.896 92 L HN 0.145 nan 8.230 nan 0.000 0.432 93 V N -0.728 119.185 119.914 -0.001 0.000 2.427 93 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 93 V C 2.503 178.539 176.094 -0.097 0.000 1.051 93 V CA 2.158 64.445 62.300 -0.020 0.000 1.048 93 V CB -0.560 31.267 31.823 0.007 0.000 0.666 93 V HN 0.467 nan 8.190 nan 0.000 0.456 94 T N 0.068 114.484 114.554 -0.229 0.000 2.812 94 T HA -0.141 4.209 4.350 -0.000 0.000 0.264 94 T C 1.917 176.315 174.700 -0.503 0.000 1.042 94 T CA 2.030 63.908 62.100 -0.371 0.000 1.140 94 T CB -0.291 68.166 68.868 -0.684 0.000 0.870 94 T HN 0.743 nan 8.240 nan 0.000 0.445 95 T N -1.817 112.474 114.554 -0.438 0.000 3.057 95 T HA 0.214 4.564 4.350 -0.000 0.000 0.254 95 T C 0.463 175.292 174.700 0.214 0.000 1.094 95 T CA 0.033 61.941 62.100 -0.320 0.000 1.088 95 T CB -0.053 68.665 68.868 -0.251 0.000 0.934 95 T HN 0.214 nan 8.240 nan 0.000 0.497 96 F N 0.831 120.750 119.950 -0.052 0.000 2.438 96 F HA 0.573 5.100 4.527 -0.000 0.000 0.381 96 F C 0.937 176.732 175.800 -0.009 0.000 1.448 96 F CA -1.384 56.632 58.000 0.025 0.000 1.070 96 F CB 0.285 39.318 39.000 0.055 0.000 1.432 96 F HN 0.121 nan 8.300 nan 0.000 0.504 97 G N 0.643 109.411 108.800 -0.053 0.000 2.549 97 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 97 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 97 G C 1.362 176.169 174.900 -0.155 0.000 1.677 97 G CA 0.434 45.479 45.100 -0.091 0.000 0.929 97 G HN 0.217 nan 8.290 nan 0.000 0.549 98 K N -0.320 120.021 120.400 -0.099 0.000 2.147 98 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 98 K C 2.427 178.940 176.600 -0.144 0.000 1.049 98 K CA 1.060 57.289 56.287 -0.097 0.000 0.936 98 K CB -0.247 32.225 32.500 -0.047 0.000 0.722 98 K HN 0.189 nan 8.250 nan 0.000 0.446 99 L N 1.539 122.673 121.223 -0.148 0.000 2.127 99 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 99 L C 2.069 178.725 176.870 -0.357 0.000 1.089 99 L CA 2.155 56.898 54.840 -0.162 0.000 0.757 99 L CB -0.671 41.366 42.059 -0.037 0.000 0.899 99 L HN 0.344 nan 8.230 nan 0.000 0.434 100 S N -1.566 113.697 115.700 -0.729 0.000 2.507 100 S HA -0.102 4.367 4.470 -0.000 0.000 0.235 100 S C 1.665 176.030 174.600 -0.391 0.000 0.988 100 S CA 1.102 58.696 58.200 -1.011 0.000 0.944 100 S CB -0.661 61.841 63.200 -1.163 0.000 0.762 100 S HN 0.548 nan 8.310 nan 0.000 0.526 101 L N 0.462 121.533 121.223 -0.254 0.000 2.585 101 L HA 0.332 4.672 4.340 -0.000 0.000 0.226 101 L C 0.757 177.577 176.870 -0.083 0.000 1.113 101 L CA 0.028 54.782 54.840 -0.143 0.000 0.876 101 L CB -0.258 41.731 42.059 -0.116 0.000 1.072 101 L HN 0.125 nan 8.230 nan 0.000 0.468 102 D N 1.613 121.968 120.400 -0.074 0.000 2.801 102 D HA 0.280 4.919 4.640 -0.000 0.000 0.232 102 D C 1.131 177.442 176.300 0.018 0.000 1.128 102 D CA 0.863 54.844 54.000 -0.032 0.000 1.003 102 D CB -0.212 40.562 40.800 -0.043 0.000 1.110 102 D HN 0.316 nan 8.370 nan 0.000 0.477 103 G N 2.332 111.155 108.800 0.039 0.000 2.556 103 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.283 103 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.283 103 G C -0.102 174.952 174.900 0.257 0.000 1.177 103 G CA -0.203 44.957 45.100 0.100 0.000 0.978 103 G HN 0.420 nan 8.290 nan 0.000 0.554 104 E N 0.496 120.804 120.200 0.181 0.000 1.936 104 E HA 0.559 4.909 4.350 -0.000 0.000 0.267 104 E C -0.261 176.448 176.600 0.183 0.000 1.076 104 E CA -0.020 56.477 56.400 0.161 0.000 0.870 104 E CB 1.288 30.929 29.700 -0.099 0.000 1.093 104 E HN 0.649 nan 8.360 nan 0.000 0.411 105 V N 3.177 123.259 119.914 0.280 0.000 2.623 105 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 105 V C -0.406 175.951 176.094 0.439 0.000 1.054 105 V CA -0.967 61.511 62.300 0.298 0.000 0.882 105 V CB 2.106 34.081 31.823 0.255 0.000 1.002 105 V HN 0.459 nan 8.190 nan 0.000 0.424 106 R N 3.671 124.357 120.500 0.310 0.000 2.513 106 R HA 0.660 5.000 4.340 -0.000 0.000 0.301 106 R C -1.555 174.732 176.300 -0.022 0.000 0.968 106 R CA -0.832 55.366 56.100 0.164 0.000 0.872 106 R CB 1.736 32.089 30.300 0.088 0.000 1.177 106 R HN 0.627 nan 8.270 nan 0.000 0.444 107 L N 6.347 127.293 121.223 -0.463 0.000 2.315 107 L HA 0.236 4.576 4.340 -0.000 0.000 0.283 107 L C -0.102 176.554 176.870 -0.357 0.000 1.089 107 L CA 0.316 54.813 54.840 -0.571 0.000 0.833 107 L CB 0.937 42.352 42.059 -1.072 0.000 1.170 107 L HN 0.870 nan 8.230 nan 0.000 0.442 108 L N 2.840 123.891 121.223 -0.286 0.000 2.316 108 L HA 0.363 4.702 4.340 -0.000 0.000 0.207 108 L C 0.105 176.862 176.870 -0.188 0.000 1.070 108 L CA 0.227 54.951 54.840 -0.193 0.000 0.820 108 L CB -0.005 41.969 42.059 -0.142 0.000 0.992 108 L HN 0.627 nan 8.230 nan 0.000 0.466 109 D N -1.374 118.874 120.400 -0.254 0.000 2.653 109 D HA 0.542 5.181 4.640 -0.000 0.000 0.258 109 D C -1.623 174.502 176.300 -0.292 0.000 1.252 109 D CA -0.343 53.526 54.000 -0.219 0.000 0.777 109 D CB 1.817 42.507 40.800 -0.183 0.000 1.339 109 D HN -0.204 nan 8.370 nan 0.000 0.422 110 L N 1.273 122.310 121.223 -0.310 0.000 2.464 110 L HA 0.516 4.856 4.340 -0.000 0.000 0.266 110 L C -0.709 175.671 176.870 -0.817 0.000 0.965 110 L CA -0.659 53.892 54.840 -0.480 0.000 0.833 110 L CB 2.296 44.148 42.059 -0.344 0.000 1.296 110 L HN 0.298 nan 8.230 nan 0.000 0.405 111 E N 2.714 122.433 120.200 -0.801 0.000 2.222 111 E HA 0.645 4.995 4.350 -0.000 0.000 0.267 111 E C -1.643 174.536 176.600 -0.702 0.000 0.884 111 E CA -0.567 55.402 56.400 -0.718 0.000 0.764 111 E CB 2.407 31.916 29.700 -0.318 0.000 1.169 111 E HN 0.212 nan 8.360 nan 0.000 0.413 112 F N 1.130 121.093 119.950 0.022 0.000 2.561 112 F HA 0.493 5.019 4.527 -0.000 0.000 0.321 112 F C -2.236 173.624 175.800 0.100 0.000 1.065 112 F CA -2.890 55.132 58.000 0.038 0.000 0.934 112 F CB 0.533 39.649 39.000 0.193 0.000 1.215 112 F HN 0.216 nan 8.300 nan 0.000 0.471 113 P HA 0.078 nan 4.420 nan 0.000 0.272 113 P C 0.192 177.658 177.300 0.276 0.000 1.223 113 P CA 0.043 63.275 63.100 0.221 0.000 0.784 113 P CB 0.821 32.635 31.700 0.189 0.000 0.923 114 D N 1.042 121.543 120.400 0.167 0.000 2.149 114 D HA -0.223 4.416 4.640 -0.000 0.000 0.198 114 D C 1.593 177.974 176.300 0.134 0.000 0.990 114 D CA 1.345 55.418 54.000 0.122 0.000 0.839 114 D CB -0.002 40.826 40.800 0.047 0.000 0.948 114 D HN 0.549 nan 8.370 nan 0.000 0.460 115 E N -1.236 119.050 120.200 0.143 0.000 2.110 115 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 115 E C 1.713 178.422 176.600 0.182 0.000 0.988 115 E CA 0.861 57.335 56.400 0.123 0.000 0.804 115 E CB -0.268 29.495 29.700 0.105 0.000 0.745 115 E HN 0.533 nan 8.360 nan 0.000 0.458 116 W N 1.441 122.804 121.300 0.104 0.000 2.409 116 W HA -0.058 4.602 4.660 -0.000 0.000 0.299 116 W C 1.934 178.597 176.519 0.240 0.000 1.203 116 W CA 1.487 58.925 57.345 0.155 0.000 1.298 116 W CB 0.122 29.694 29.460 0.185 0.000 1.127 116 W HN -0.080 nan 8.180 nan 0.000 0.528 117 K N -0.021 120.646 120.400 0.445 0.000 2.063 117 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 117 K C 1.924 178.689 176.600 0.275 0.000 1.048 117 K CA 1.624 58.137 56.287 0.376 0.000 0.928 117 K CB -0.399 32.240 32.500 0.232 0.000 0.713 117 K HN 0.128 nan 8.250 nan 0.000 0.442 118 R N 1.031 121.587 120.500 0.093 0.000 2.303 118 R HA -0.129 4.210 4.340 -0.000 0.000 0.225 118 R C 1.631 177.897 176.300 -0.058 0.000 1.114 118 R CA 0.879 56.989 56.100 0.017 0.000 1.007 118 R CB -0.100 30.187 30.300 -0.022 0.000 0.861 118 R HN 0.382 nan 8.270 nan 0.000 0.471 119 Q N -0.586 119.102 119.800 -0.188 0.000 2.444 119 Q HA 0.065 4.404 4.340 -0.000 0.000 0.206 119 Q C -0.561 174.905 176.000 -0.890 0.000 0.948 119 Q CA 0.391 55.864 55.803 -0.550 0.000 0.946 119 Q CB 0.359 28.610 28.738 -0.811 0.000 1.027 119 Q HN 0.125 nan 8.270 nan 0.000 0.513 120 F N -0.169 119.700 119.950 -0.135 0.000 2.561 120 F HA 0.277 4.804 4.527 -0.000 0.000 0.321 120 F C -1.524 174.288 175.800 0.020 0.000 1.065 120 F CA -2.482 55.450 58.000 -0.113 0.000 0.934 120 F CB 1.249 40.137 39.000 -0.186 0.000 1.215 120 F HN -0.206 nan 8.300 nan 0.000 0.471 121 P HA 0.113 nan 4.420 nan 0.000 0.218 121 P C 0.528 177.835 177.300 0.011 0.000 1.152 121 P CA 1.375 64.482 63.100 0.012 0.000 0.826 121 P CB 0.433 32.093 31.700 -0.066 0.000 0.790 122 G N 0.618 109.247 108.800 -0.285 0.000 2.782 122 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.228 122 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.228 122 G C -2.993 171.816 174.900 -0.152 0.000 1.372 122 G CA -0.597 44.278 45.100 -0.374 0.000 0.862 122 G HN 0.143 nan 8.290 nan 0.000 0.547 123 P HA 0.283 nan 4.420 nan 0.000 0.271 123 P C 0.830 178.063 177.300 -0.112 0.000 1.218 123 P CA -0.201 62.854 63.100 -0.076 0.000 0.780 123 P CB 0.815 32.487 31.700 -0.045 0.000 0.901 124 R N 1.715 122.103 120.500 -0.187 0.000 2.093 124 R HA 0.001 4.341 4.340 -0.000 0.000 0.224 124 R C 0.846 176.779 176.300 -0.613 0.000 1.101 124 R CA 1.636 57.471 56.100 -0.442 0.000 0.979 124 R CB -0.169 29.745 30.300 -0.643 0.000 0.877 124 R HN 0.403 nan 8.270 nan 0.000 0.441 125 F N -0.651 119.270 119.950 -0.048 0.000 2.537 125 F HA 0.384 4.911 4.527 -0.000 0.000 0.277 125 F C 1.412 177.158 175.800 -0.091 0.000 1.013 125 F CA 0.666 58.632 58.000 -0.058 0.000 1.332 125 F CB -0.397 38.570 39.000 -0.055 0.000 1.108 125 F HN 0.260 nan 8.300 nan 0.000 0.679 126 G N 1.341 110.170 108.800 0.048 0.000 2.752 126 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.234 126 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.234 126 G C 0.813 175.615 174.900 -0.164 0.000 1.367 126 G CA -0.092 44.960 45.100 -0.079 0.000 0.879 126 G HN 0.238 nan 8.290 nan 0.000 0.563 127 I N 0.186 120.559 120.570 -0.329 0.000 2.118 127 I HA -0.196 3.974 4.170 -0.000 0.000 0.241 127 I C 2.522 178.466 176.117 -0.287 0.000 1.070 127 I CA 2.145 63.085 61.300 -0.600 0.000 1.327 127 I CB -0.433 37.101 38.000 -0.777 0.000 1.034 127 I HN 0.543 nan 8.210 nan 0.000 0.405 128 D N 0.968 121.267 120.400 -0.168 0.000 2.104 128 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 128 D C 2.172 178.475 176.300 0.004 0.000 0.994 128 D CA 1.738 55.697 54.000 -0.068 0.000 0.830 128 D CB -0.650 40.141 40.800 -0.015 0.000 0.959 128 D HN 0.439 nan 8.370 nan 0.000 0.452 129 G N 1.038 109.869 108.800 0.052 0.000 2.418 129 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.217 129 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.217 129 G C 1.608 176.542 174.900 0.057 0.000 1.158 129 G CA 0.214 45.401 45.100 0.143 0.000 0.771 129 G HN 0.152 nan 8.290 nan 0.000 0.545 130 I N 0.857 121.441 120.570 0.023 0.000 2.226 130 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 130 I C 2.778 178.937 176.117 0.071 0.000 1.100 130 I CA 0.942 62.258 61.300 0.027 0.000 1.374 130 I CB -1.017 37.016 38.000 0.055 0.000 1.057 130 I HN 0.178 nan 8.210 nan 0.000 0.413 131 R N 0.531 121.062 120.500 0.051 0.000 2.105 131 R HA -0.184 4.155 4.340 -0.000 0.000 0.239 131 R C 1.871 178.191 176.300 0.033 0.000 1.135 131 R CA 1.501 57.559 56.100 -0.070 0.000 0.967 131 R CB -0.208 29.814 30.300 -0.463 0.000 0.861 131 R HN 0.404 nan 8.270 nan 0.000 0.442 132 D N 0.082 120.548 120.400 0.110 0.000 2.097 132 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 132 D C 1.943 178.291 176.300 0.080 0.000 0.984 132 D CA 1.147 55.258 54.000 0.186 0.000 0.826 132 D CB -0.098 40.790 40.800 0.147 0.000 0.973 132 D HN 0.188 nan 8.370 nan 0.000 0.460 133 R N 0.185 120.694 120.500 0.015 0.000 2.148 133 R HA -0.025 4.315 4.340 -0.000 0.000 0.227 133 R C 2.114 178.402 176.300 -0.019 0.000 1.103 133 R CA 0.439 56.516 56.100 -0.040 0.000 0.983 133 R CB -0.115 30.105 30.300 -0.133 0.000 0.874 133 R HN 0.067 nan 8.270 nan 0.000 0.451 134 V N -0.220 119.703 119.914 0.015 0.000 3.590 134 V HA 0.225 4.345 4.120 -0.000 0.000 0.265 134 V C 0.829 176.944 176.094 0.036 0.000 1.239 134 V CA 1.072 63.381 62.300 0.016 0.000 1.117 134 V CB 0.296 32.134 31.823 0.025 0.000 0.818 134 V HN 0.579 nan 8.190 nan 0.000 0.451 135 G N 0.673 109.520 108.800 0.078 0.000 2.198 135 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 135 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 135 G C -0.063 174.933 174.900 0.160 0.000 1.042 135 G CA 0.343 45.512 45.100 0.116 0.000 0.791 135 G HN 0.869 nan 8.290 nan 0.000 0.502 136 V N 0.880 120.899 119.914 0.175 0.000 2.409 136 V HA 0.607 4.727 4.120 -0.000 0.000 0.290 136 V C -0.098 176.082 176.094 0.144 0.000 1.017 136 V CA -0.938 61.454 62.300 0.154 0.000 0.841 136 V CB 1.513 33.379 31.823 0.071 0.000 1.003 136 V HN 0.421 nan 8.190 nan 0.000 0.426 137 H N 2.946 122.052 119.070 0.060 0.000 2.651 137 H HA 0.635 5.191 4.556 -0.000 0.000 0.353 137 H C 0.706 176.072 175.328 0.062 0.000 1.178 137 H CA 0.097 56.184 56.048 0.064 0.000 1.224 137 H CB 1.366 31.156 29.762 0.047 0.000 1.702 137 H HN 0.723 nan 8.280 nan 0.000 0.550 138 N N -0.876 117.917 118.700 0.154 0.000 3.371 138 N HA -0.279 4.461 4.740 -0.000 0.000 0.225 138 N C -0.213 175.351 175.510 0.091 0.000 0.158 138 N CA 1.895 55.010 53.050 0.110 0.000 3.732 138 N CB -0.939 37.610 38.487 0.104 0.000 1.091 138 N HN 0.721 nan 8.380 nan 0.000 0.250 139 R N 3.494 124.046 120.500 0.086 0.000 2.641 139 R HA 0.408 4.747 4.340 -0.000 0.000 0.269 139 R C -2.560 173.789 176.300 0.082 0.000 1.074 139 R CA -1.118 55.027 56.100 0.076 0.000 1.133 139 R CB 0.039 30.375 30.300 0.061 0.000 1.029 139 R HN 0.249 nan 8.270 nan 0.000 0.488 140 P HA 0.015 nan 4.420 nan 0.000 0.272 140 P C -0.368 176.940 177.300 0.013 0.000 1.230 140 P CA -0.131 63.018 63.100 0.082 0.000 0.788 140 P CB 0.664 32.411 31.700 0.078 0.000 0.949 141 L N 1.050 122.235 121.223 -0.063 0.000 2.454 141 L HA 0.450 4.790 4.340 -0.000 0.000 0.256 141 L C 0.533 177.307 176.870 -0.161 0.000 1.136 141 L CA -0.861 53.897 54.840 -0.136 0.000 0.804 141 L CB 0.210 42.107 42.059 -0.270 0.000 1.181 141 L HN 0.264 nan 8.230 nan 0.000 0.469 142 L N 2.470 123.590 121.223 -0.172 0.000 2.410 142 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 142 L C -0.575 176.142 176.870 -0.255 0.000 0.983 142 L CA -0.274 54.432 54.840 -0.224 0.000 0.822 142 L CB 1.679 43.632 42.059 -0.177 0.000 1.285 142 L HN 0.652 nan 8.230 nan 0.000 0.409 143 M N 2.873 122.284 119.600 -0.315 0.000 2.619 143 M HA 0.939 5.419 4.480 -0.000 0.000 0.297 143 M C -1.012 175.092 176.300 -0.327 0.000 1.229 143 M CA -0.350 54.774 55.300 -0.294 0.000 0.860 143 M CB 2.309 34.738 32.600 -0.285 0.000 1.741 143 M HN 0.595 nan 8.290 nan 0.000 0.462 144 S N 1.004 116.534 115.700 -0.282 0.000 2.685 144 S HA 0.888 5.358 4.470 -0.000 0.000 0.282 144 S C -0.942 173.539 174.600 -0.199 0.000 1.159 144 S CA -0.874 57.163 58.200 -0.271 0.000 0.833 144 S CB 1.638 64.647 63.200 -0.318 0.000 1.151 144 S HN 0.804 nan 8.310 nan 0.000 0.485 145 I N 0.604 121.104 120.570 -0.116 0.000 2.689 145 I HA 0.466 4.636 4.170 -0.000 0.000 0.299 145 I C -0.877 175.312 176.117 0.119 0.000 1.059 145 I CA -0.877 60.420 61.300 -0.006 0.000 1.055 145 I CB 1.451 39.488 38.000 0.061 0.000 1.243 145 I HN 0.559 nan 8.210 nan 0.000 0.425 146 F N 3.036 123.053 119.950 0.113 0.000 2.545 146 F HA 0.143 4.669 4.527 -0.000 0.000 0.348 146 F C 0.601 176.409 175.800 0.014 0.000 1.163 146 F CA 0.357 58.402 58.000 0.074 0.000 1.331 146 F CB 0.345 39.356 39.000 0.018 0.000 1.138 146 F HN 0.319 nan 8.300 nan 0.000 0.602 147 K N 1.093 121.502 120.400 0.015 0.000 2.244 147 K HA 0.529 4.848 4.320 -0.000 0.000 0.260 147 K C -0.078 176.549 176.600 0.045 0.000 0.951 147 K CA -0.237 56.009 56.287 -0.068 0.000 0.826 147 K CB 1.476 33.738 32.500 -0.396 0.000 1.108 147 K HN 0.759 nan 8.250 nan 0.000 0.433 148 G N 4.352 113.189 108.800 0.063 0.000 2.247 148 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 148 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 148 G C 0.183 175.137 174.900 0.090 0.000 0.861 148 G CA 0.869 46.006 45.100 0.062 0.000 1.289 148 G HN 0.632 nan 8.290 nan 0.000 0.403 149 M N 1.095 120.737 119.600 0.070 0.000 2.414 149 M HA 0.391 4.871 4.480 -0.000 0.000 0.251 149 M C 1.423 177.719 176.300 -0.006 0.000 1.116 149 M CA -0.117 55.210 55.300 0.045 0.000 1.056 149 M CB 0.266 32.827 32.600 -0.064 0.000 1.388 149 M HN 0.389 nan 8.290 nan 0.000 0.487 150 I N 1.278 121.846 120.570 -0.002 0.000 2.662 150 I HA 0.111 4.281 4.170 -0.000 0.000 0.285 150 I C 1.303 177.411 176.117 -0.015 0.000 1.161 150 I CA 0.996 62.297 61.300 0.001 0.000 1.415 150 I CB -0.337 37.676 38.000 0.022 0.000 1.385 150 I HN 0.696 nan 8.210 nan 0.000 0.552 151 G N 5.066 113.858 108.800 -0.014 0.000 2.175 151 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 151 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 151 G C 0.434 175.299 174.900 -0.058 0.000 0.982 151 G CA -0.506 44.577 45.100 -0.029 0.000 0.641 151 G HN 0.502 nan 8.290 nan 0.000 0.527 152 R N 0.995 121.456 120.500 -0.064 0.000 2.553 152 R HA 0.572 4.912 4.340 -0.000 0.000 0.263 152 R C 0.229 176.516 176.300 -0.020 0.000 1.066 152 R CA 0.159 56.206 56.100 -0.088 0.000 1.135 152 R CB 0.558 30.809 30.300 -0.081 0.000 1.148 152 R HN 0.540 nan 8.270 nan 0.000 0.558 153 D N -1.057 119.348 120.400 0.008 0.000 2.487 153 D HA 0.161 4.800 4.640 -0.000 0.000 0.262 153 D C 1.182 177.512 176.300 0.049 0.000 1.130 153 D CA -0.732 53.283 54.000 0.025 0.000 1.038 153 D CB 0.492 41.304 40.800 0.019 0.000 1.142 153 D HN 0.285 nan 8.370 nan 0.000 0.575 154 L N -0.333 120.905 121.223 0.024 0.000 2.191 154 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 154 L C 2.381 179.264 176.870 0.021 0.000 1.103 154 L CA 1.422 56.267 54.840 0.009 0.000 0.769 154 L CB -0.556 41.506 42.059 0.004 0.000 0.908 154 L HN 0.614 nan 8.230 nan 0.000 0.438 155 A N -0.833 122.015 122.820 0.048 0.000 1.930 155 A HA -0.258 4.061 4.320 -0.000 0.000 0.217 155 A C 2.153 179.788 177.584 0.085 0.000 1.175 155 A CA 1.311 53.381 52.037 0.054 0.000 0.627 155 A CB -0.674 18.362 19.000 0.060 0.000 0.815 155 A HN 0.431 nan 8.150 nan 0.000 0.443 156 Y N -0.115 120.171 120.300 -0.023 0.000 2.220 156 Y HA -0.035 4.515 4.550 -0.000 0.000 0.291 156 Y C 2.007 177.896 175.900 -0.018 0.000 1.129 156 Y CA 1.352 59.442 58.100 -0.017 0.000 1.161 156 Y CB -0.251 38.191 38.460 -0.029 0.000 0.997 156 Y HN 0.277 nan 8.280 nan 0.000 0.522 157 L N -0.421 120.792 121.223 -0.016 0.000 1.989 157 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 157 L C 2.509 179.340 176.870 -0.065 0.000 1.071 157 L CA 2.554 57.301 54.840 -0.155 0.000 0.749 157 L CB -0.904 41.031 42.059 -0.206 0.000 0.890 157 L HN 0.451 nan 8.230 nan 0.000 0.431 158 T N -3.850 110.670 114.554 -0.056 0.000 2.788 158 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 158 T C 2.059 176.730 174.700 -0.048 0.000 1.044 158 T CA 1.491 63.564 62.100 -0.045 0.000 1.139 158 T CB -0.676 68.172 68.868 -0.033 0.000 0.867 158 T HN 0.414 nan 8.240 nan 0.000 0.454 159 S N 0.931 116.589 115.700 -0.071 0.000 2.356 159 S HA -0.149 4.320 4.470 -0.000 0.000 0.223 159 S C 2.193 176.721 174.600 -0.119 0.000 1.032 159 S CA 1.124 59.269 58.200 -0.091 0.000 1.005 159 S CB -0.498 62.642 63.200 -0.102 0.000 0.867 159 S HN 0.498 nan 8.310 nan 0.000 0.449 160 E N 0.699 120.792 120.200 -0.178 0.000 2.150 160 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 160 E C 2.035 178.605 176.600 -0.051 0.000 0.985 160 E CA 0.558 56.889 56.400 -0.116 0.000 0.814 160 E CB -0.499 29.135 29.700 -0.111 0.000 0.752 160 E HN 0.447 nan 8.360 nan 0.000 0.466 161 L N 1.691 122.927 121.223 0.021 0.000 2.027 161 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 161 L C 1.977 178.762 176.870 -0.142 0.000 1.074 161 L CA 1.826 56.585 54.840 -0.134 0.000 0.745 161 L CB -0.261 41.758 42.059 -0.067 0.000 0.898 161 L HN -0.085 nan 8.230 nan 0.000 0.433 162 K N -0.585 119.762 120.400 -0.087 0.000 2.097 162 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 162 K C 2.106 178.662 176.600 -0.072 0.000 1.049 162 K CA 1.486 57.731 56.287 -0.071 0.000 0.933 162 K CB -0.131 32.340 32.500 -0.048 0.000 0.717 162 K HN 0.321 nan 8.250 nan 0.000 0.442 163 K N 1.044 121.401 120.400 -0.071 0.000 2.057 163 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 163 K C 2.260 178.810 176.600 -0.082 0.000 1.049 163 K CA 1.528 57.781 56.287 -0.057 0.000 0.931 163 K CB -0.028 32.455 32.500 -0.029 0.000 0.714 163 K HN 0.186 nan 8.250 nan 0.000 0.440 164 Q N -0.105 119.620 119.800 -0.125 0.000 2.079 164 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 164 Q C 2.137 178.049 176.000 -0.148 0.000 0.974 164 Q CA 1.428 57.125 55.803 -0.176 0.000 0.840 164 Q CB -0.103 28.472 28.738 -0.272 0.000 0.898 164 Q HN 0.345 nan 8.270 nan 0.000 0.430 165 A N 0.618 123.361 122.820 -0.129 0.000 1.969 165 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 165 A C 1.959 179.505 177.584 -0.064 0.000 1.169 165 A CA 0.920 52.903 52.037 -0.091 0.000 0.635 165 A CB -0.512 18.445 19.000 -0.071 0.000 0.810 165 A HN 0.299 nan 8.150 nan 0.000 0.445 166 L N -0.728 120.458 121.223 -0.062 0.000 2.362 166 L HA -0.062 4.277 4.340 -0.000 0.000 0.219 166 L C 2.460 179.299 176.870 -0.053 0.000 1.134 166 L CA 0.675 55.486 54.840 -0.049 0.000 0.807 166 L CB -0.354 41.679 42.059 -0.044 0.000 0.927 166 L HN 0.499 nan 8.230 nan 0.000 0.447 167 G N -1.130 107.629 108.800 -0.068 0.000 2.813 167 G HA2 0.182 4.142 3.960 -0.000 0.000 0.209 167 G HA3 0.182 4.142 3.960 -0.000 0.000 0.209 167 G C 1.242 176.109 174.900 -0.056 0.000 1.150 167 G CA 0.524 45.582 45.100 -0.070 0.000 0.785 167 G HN 0.484 nan 8.290 nan 0.000 0.535 168 G N -0.894 107.874 108.800 -0.054 0.000 2.141 168 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.231 168 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.231 168 G C 0.465 175.333 174.900 -0.054 0.000 0.984 168 G CA 0.383 45.460 45.100 -0.039 0.000 0.660 168 G HN 1.442 nan 8.290 nan 0.000 0.525 169 V N -2.055 117.806 119.914 -0.089 0.000 2.811 169 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 169 V C 1.104 177.137 176.094 -0.102 0.000 1.063 169 V CA 0.515 62.741 62.300 -0.123 0.000 1.088 169 V CB 1.288 33.002 31.823 -0.181 0.000 0.982 169 V HN 0.097 nan 8.190 nan 0.000 0.485 170 D N 1.971 122.305 120.400 -0.110 0.000 2.271 170 D HA 0.204 4.844 4.640 -0.000 0.000 0.206 170 D C 0.264 176.506 176.300 -0.097 0.000 0.967 170 D CA 1.058 55.007 54.000 -0.084 0.000 0.867 170 D CB 0.899 41.649 40.800 -0.083 0.000 0.960 170 D HN 0.584 nan 8.370 nan 0.000 0.509 171 L N 0.460 121.599 121.223 -0.140 0.000 2.505 171 L HA 0.376 4.716 4.340 -0.000 0.000 0.259 171 L C -1.444 175.322 176.870 -0.172 0.000 0.952 171 L CA -0.542 54.211 54.840 -0.145 0.000 0.840 171 L CB 2.382 44.324 42.059 -0.196 0.000 1.358 171 L HN -0.348 nan 8.230 nan 0.000 0.409 175 D N 1.021 121.488 120.400 0.111 0.000 2.382 175 D HA 0.003 4.643 4.640 -0.000 0.000 0.245 175 D C 1.353 177.578 176.300 -0.125 0.000 1.120 175 D CA 0.049 54.062 54.000 0.022 0.000 0.890 175 D CB 1.047 41.859 40.800 0.021 0.000 1.201 175 D HN 0.342 nan 8.370 nan 0.000 0.433 176 E N 3.881 123.947 120.200 -0.224 0.000 2.333 176 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 176 E C 1.460 177.811 176.600 -0.416 0.000 1.007 176 E CA 0.939 57.095 56.400 -0.407 0.000 0.845 176 E CB -0.523 28.649 29.700 -0.880 0.000 0.766 176 E HN 0.727 nan 8.360 nan 0.000 0.507 177 I N -1.185 119.196 120.570 -0.315 0.000 3.861 177 I HA 0.266 4.435 4.170 -0.000 0.000 0.329 177 I C 0.385 176.192 176.117 -0.516 0.000 1.321 177 I CA -0.675 60.432 61.300 -0.321 0.000 1.126 177 I CB -0.003 37.993 38.000 -0.006 0.000 1.018 177 I HN -0.135 nan 8.210 nan 0.000 0.407 178 L N 2.246 123.138 121.223 -0.551 0.000 2.268 178 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 178 L C -0.906 175.626 176.870 -0.564 0.000 1.064 178 L CA 0.120 54.736 54.840 -0.372 0.000 0.824 178 L CB 0.140 42.089 42.059 -0.184 0.000 1.202 178 L HN -0.030 nan 8.230 nan 0.000 0.433 179 F N 1.874 121.834 119.950 0.017 0.000 2.440 179 F HA 0.408 4.935 4.527 -0.000 0.000 0.328 179 F C 0.643 176.462 175.800 0.032 0.000 1.070 179 F CA -0.835 57.178 58.000 0.021 0.000 1.011 179 F CB 0.615 39.620 39.000 0.008 0.000 1.226 179 F HN 0.397 nan 8.300 nan 0.000 0.491 180 D N 0.890 121.426 120.400 0.227 0.000 2.443 180 D HA 0.306 4.945 4.640 -0.000 0.000 0.239 180 D C -0.068 176.309 176.300 0.128 0.000 1.136 180 D CA 0.429 54.523 54.000 0.156 0.000 0.879 180 D CB 0.830 41.713 40.800 0.140 0.000 1.195 180 D HN 0.557 nan 8.370 nan 0.000 0.443 181 S N -0.268 115.490 115.700 0.096 0.000 2.688 181 S HA 0.253 4.722 4.470 -0.000 0.000 0.275 181 S C 0.737 175.370 174.600 0.056 0.000 1.175 181 S CA -0.875 57.367 58.200 0.070 0.000 0.818 181 S CB 1.996 65.232 63.200 0.061 0.000 1.157 181 S HN 0.441 nan 8.310 nan 0.000 0.482 182 E N -0.125 120.099 120.200 0.041 0.000 2.106 182 E HA -0.019 4.330 4.350 -0.000 0.000 0.192 182 E C 1.529 178.146 176.600 0.029 0.000 0.984 182 E CA 0.970 57.390 56.400 0.034 0.000 0.806 182 E CB -0.271 29.443 29.700 0.025 0.000 0.750 182 E HN 0.639 nan 8.360 nan 0.000 0.458 183 L N 0.087 121.325 121.223 0.025 0.000 2.056 183 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 183 L C 0.932 177.814 176.870 0.019 0.000 1.078 183 L CA 0.716 55.566 54.840 0.017 0.000 0.749 183 L CB 0.113 42.177 42.059 0.009 0.000 0.901 183 L HN 0.151 nan 8.230 nan 0.000 0.433 184 L N 0.295 121.534 121.223 0.028 0.000 2.556 184 L HA 0.350 4.690 4.340 -0.000 0.000 0.243 184 L C -2.440 174.468 176.870 0.063 0.000 1.331 184 L CA -1.733 53.125 54.840 0.030 0.000 0.927 184 L CB 0.855 42.919 42.059 0.008 0.000 1.219 184 L HN -0.162 nan 8.230 nan 0.000 0.490 185 P HA 0.015 nan 4.420 nan 0.000 0.271 185 P C 0.645 178.031 177.300 0.143 0.000 1.218 185 P CA -0.245 62.918 63.100 0.105 0.000 0.780 185 P CB 0.702 32.448 31.700 0.078 0.000 0.901 186 F N 3.233 123.197 119.950 0.023 0.000 2.043 186 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 186 F C 1.851 177.660 175.800 0.014 0.000 1.118 186 F CA 1.963 59.971 58.000 0.014 0.000 1.202 186 F CB -0.597 38.410 39.000 0.012 0.000 0.965 186 F HN 0.410 nan 8.300 nan 0.000 0.482 187 E N -0.180 120.003 120.200 -0.029 0.000 2.153 187 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 187 E C 2.157 178.688 176.600 -0.115 0.000 0.988 187 E CA 1.344 57.650 56.400 -0.156 0.000 0.811 187 E CB -0.142 29.553 29.700 -0.008 0.000 0.746 187 E HN 0.487 nan 8.360 nan 0.000 0.466 188 K N 0.376 120.753 120.400 -0.038 0.000 2.103 188 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 188 K C 2.164 178.756 176.600 -0.013 0.000 1.052 188 K CA 0.563 56.840 56.287 -0.017 0.000 0.945 188 K CB 0.011 32.515 32.500 0.008 0.000 0.722 188 K HN 0.019 nan 8.250 nan 0.000 0.443 189 R N 0.757 121.253 120.500 -0.008 0.000 2.081 189 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 189 R C 2.322 178.712 176.300 0.150 0.000 1.131 189 R CA 1.272 57.418 56.100 0.077 0.000 0.960 189 R CB -0.442 29.927 30.300 0.115 0.000 0.856 189 R HN 0.210 nan 8.270 nan 0.000 0.436 190 I N 0.530 121.071 120.570 -0.049 0.000 2.163 190 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 190 I C 2.738 178.854 176.117 -0.001 0.000 1.081 190 I CA 1.878 63.136 61.300 -0.070 0.000 1.353 190 I CB -0.735 37.082 38.000 -0.305 0.000 1.054 190 I HN 0.317 nan 8.210 nan 0.000 0.407 191 T N -1.620 112.911 114.554 -0.039 0.000 2.777 191 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 191 T C 1.675 176.376 174.700 0.003 0.000 1.040 191 T CA 1.128 63.218 62.100 -0.018 0.000 1.141 191 T CB -0.430 68.423 68.868 -0.025 0.000 0.868 191 T HN 0.355 nan 8.240 nan 0.000 0.444 192 E N 1.132 121.335 120.200 0.006 0.000 2.107 192 E HA 0.019 4.368 4.350 -0.000 0.000 0.191 192 E C 2.585 179.184 176.600 -0.002 0.000 0.982 192 E CA 0.885 57.285 56.400 0.001 0.000 0.809 192 E CB -0.540 29.157 29.700 -0.004 0.000 0.756 192 E HN 0.699 nan 8.360 nan 0.000 0.459 193 G N 2.039 110.850 108.800 0.017 0.000 2.422 193 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 193 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 193 G C 1.567 176.477 174.900 0.017 0.000 1.146 193 G CA 0.880 45.964 45.100 -0.027 0.000 0.769 193 G HN 0.150 nan 8.290 nan 0.000 0.547 194 K N 0.559 120.993 120.400 0.057 0.000 2.026 194 K HA 0.046 4.365 4.320 -0.000 0.000 0.208 194 K C 2.778 179.387 176.600 0.015 0.000 1.048 194 K CA 1.303 57.613 56.287 0.038 0.000 0.929 194 K CB -0.328 32.187 32.500 0.024 0.000 0.713 194 K HN 0.191 nan 8.250 nan 0.000 0.439 195 A N 1.079 123.905 122.820 0.009 0.000 1.877 195 A HA -0.102 4.217 4.320 -0.000 0.000 0.216 195 A C 2.353 179.939 177.584 0.004 0.000 1.186 195 A CA 1.908 53.948 52.037 0.006 0.000 0.620 195 A CB -0.893 18.109 19.000 0.003 0.000 0.822 195 A HN 0.499 nan 8.150 nan 0.000 0.443 196 A N -0.337 122.479 122.820 -0.007 0.000 1.902 196 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 196 A C 2.154 179.731 177.584 -0.011 0.000 1.181 196 A CA 1.511 53.539 52.037 -0.015 0.000 0.623 196 A CB -0.591 18.388 19.000 -0.034 0.000 0.818 196 A HN 0.477 nan 8.150 nan 0.000 0.443 197 L N -0.376 120.841 121.223 -0.010 0.000 2.141 197 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 197 L C 2.834 179.728 176.870 0.039 0.000 1.094 197 L CA 1.485 56.326 54.840 0.002 0.000 0.763 197 L CB -0.516 41.543 42.059 -0.000 0.000 0.908 197 L HN 0.662 nan 8.230 nan 0.000 0.437 198 Q N -0.044 119.780 119.800 0.040 0.000 2.297 198 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 198 Q C 1.608 177.664 176.000 0.093 0.000 0.962 198 Q CA 1.254 57.102 55.803 0.074 0.000 0.879 198 Q CB -0.440 28.325 28.738 0.045 0.000 0.947 198 Q HN 0.440 nan 8.270 nan 0.000 0.462 199 E N 0.495 120.724 120.200 0.049 0.000 2.106 199 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 199 E C 1.973 178.588 176.600 0.025 0.000 0.984 199 E CA 1.265 57.683 56.400 0.030 0.000 0.806 199 E CB 0.003 29.709 29.700 0.010 0.000 0.750 199 E HN 0.235 nan 8.360 nan 0.000 0.458 200 V N 0.969 120.900 119.914 0.029 0.000 2.407 200 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 200 V C 2.081 178.193 176.094 0.029 0.000 1.055 200 V CA 1.744 64.053 62.300 0.015 0.000 1.049 200 V CB -0.576 31.252 31.823 0.009 0.000 0.662 200 V HN 0.302 nan 8.190 nan 0.000 0.455 201 Y N 1.577 121.864 120.300 -0.021 0.000 2.145 201 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 201 Y C 2.598 178.490 175.900 -0.013 0.000 1.145 201 Y CA 1.815 59.906 58.100 -0.016 0.000 1.148 201 Y CB -0.214 38.238 38.460 -0.013 0.000 0.981 201 Y HN 0.290 nan 8.280 nan 0.000 0.507 202 E N 0.364 120.506 120.200 -0.098 0.000 2.118 202 E HA -0.263 4.086 4.350 -0.000 0.000 0.195 202 E C 2.015 178.503 176.600 -0.185 0.000 0.992 202 E CA 1.801 58.109 56.400 -0.153 0.000 0.804 202 E CB -0.336 29.352 29.700 -0.021 0.000 0.741 202 E HN 0.715 nan 8.360 nan 0.000 0.458 203 Q N -0.237 119.485 119.800 -0.130 0.000 2.008 203 Q HA -0.049 4.291 4.340 -0.000 0.000 0.196 203 Q C 2.157 178.080 176.000 -0.128 0.000 0.973 203 Q CA 1.837 57.577 55.803 -0.105 0.000 0.826 203 Q CB -0.010 28.691 28.738 -0.062 0.000 0.894 203 Q HN 0.366 nan 8.270 nan 0.000 0.439 204 T N -3.976 110.500 114.554 -0.131 0.000 3.040 204 T HA 0.327 4.677 4.350 -0.000 0.000 0.250 204 T C 1.281 175.885 174.700 -0.159 0.000 1.058 204 T CA 0.432 62.464 62.100 -0.114 0.000 0.988 204 T CB 0.802 69.631 68.868 -0.064 0.000 0.993 204 T HN 0.481 nan 8.240 nan 0.000 0.519 205 G N 1.324 109.929 108.800 -0.325 0.000 2.162 205 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 205 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 205 G C -0.023 174.851 174.900 -0.043 0.000 0.976 205 G CA 0.317 45.144 45.100 -0.456 0.000 0.655 205 G HN 0.839 nan 8.290 nan 0.000 0.533 206 K N 0.139 120.572 120.400 0.055 0.000 2.172 206 K HA 0.699 5.019 4.320 -0.000 0.000 0.276 206 K C 0.202 176.964 176.600 0.270 0.000 1.013 206 K CA -1.300 55.078 56.287 0.152 0.000 0.913 206 K CB 0.771 33.302 32.500 0.051 0.000 1.055 206 K HN 0.188 nan 8.250 nan 0.000 0.461 207 R N 2.081 122.692 120.500 0.185 0.000 2.255 207 R HA 0.440 4.780 4.340 -0.000 0.000 0.326 207 R C -1.209 175.106 176.300 0.025 0.000 0.986 207 R CA -0.056 56.090 56.100 0.077 0.000 0.847 207 R CB 0.737 31.023 30.300 -0.023 0.000 1.111 207 R HN 0.694 nan 8.270 nan 0.000 0.452 208 T N 5.578 120.138 114.554 0.009 0.000 2.848 208 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 208 T C -0.366 174.326 174.700 -0.013 0.000 0.995 208 T CA -0.645 61.444 62.100 -0.018 0.000 0.970 208 T CB 0.917 69.763 68.868 -0.037 0.000 0.976 208 T HN 0.352 nan 8.240 nan 0.000 0.441 209 L N 2.586 123.799 121.223 -0.017 0.000 2.379 209 L HA 0.560 4.899 4.340 -0.000 0.000 0.269 209 L C -0.845 176.064 176.870 0.066 0.000 1.084 209 L CA -1.157 53.689 54.840 0.010 0.000 0.802 209 L CB 0.732 42.783 42.059 -0.012 0.000 1.175 209 L HN 0.582 nan 8.230 nan 0.000 0.448 210 Y N 1.668 121.929 120.300 -0.066 0.000 2.328 210 Y HA 0.610 5.160 4.550 -0.000 0.000 0.336 210 Y C -0.426 175.447 175.900 -0.045 0.000 0.960 210 Y CA -1.772 56.302 58.100 -0.044 0.000 1.134 210 Y CB 1.473 39.932 38.460 -0.002 0.000 1.166 210 Y HN 0.533 nan 8.280 nan 0.000 0.464 211 A N 6.848 129.632 122.820 -0.060 0.000 2.294 211 A HA 0.563 4.883 4.320 -0.000 0.000 0.316 211 A C -1.054 176.304 177.584 -0.377 0.000 1.359 211 A CA -0.554 51.350 52.037 -0.223 0.000 0.956 211 A CB 0.067 18.958 19.000 -0.182 0.000 1.155 211 A HN 0.688 nan 8.150 nan 0.000 0.544 212 V N 3.678 123.266 119.914 -0.544 0.000 2.509 212 V HA 0.223 4.343 4.120 -0.000 0.000 0.284 212 V C 0.219 176.278 176.094 -0.059 0.000 1.047 212 V CA -0.789 61.228 62.300 -0.473 0.000 0.952 212 V CB 1.213 32.691 31.823 -0.575 0.000 0.988 212 V HN 0.913 nan 8.190 nan 0.000 0.469 213 N N 4.743 123.453 118.700 0.016 0.000 2.452 213 N HA 0.130 4.870 4.740 -0.000 0.000 0.266 213 N C -0.767 174.811 175.510 0.114 0.000 1.209 213 N CA 0.030 53.105 53.050 0.043 0.000 0.929 213 N CB 0.729 39.182 38.487 -0.057 0.000 1.063 213 N HN 0.634 nan 8.380 nan 0.000 0.472 214 L N 4.035 125.305 121.223 0.080 0.000 2.272 214 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 214 L C 0.212 177.092 176.870 0.016 0.000 1.045 214 L CA -0.074 54.726 54.840 -0.067 0.000 0.842 214 L CB 0.304 42.334 42.059 -0.048 0.000 1.224 214 L HN 0.713 nan 8.230 nan 0.000 0.430 215 T N 1.287 115.813 114.554 -0.046 0.000 2.724 215 T HA 1.004 5.354 4.350 -0.000 0.000 0.274 215 T C 0.238 175.011 174.700 0.121 0.000 0.984 215 T CA -0.371 61.833 62.100 0.173 0.000 1.024 215 T CB 1.293 70.367 68.868 0.343 0.000 1.320 215 T HN 1.346 nan 8.240 nan 0.000 0.555 216 G N 0.340 109.276 108.800 0.226 0.000 2.610 216 G HA2 0.002 3.962 3.960 -0.000 0.000 0.304 216 G HA3 0.002 3.962 3.960 -0.000 0.000 0.304 216 G C -1.026 173.989 174.900 0.191 0.000 1.309 216 G CA -0.694 44.482 45.100 0.128 0.000 0.906 216 G HN 0.880 nan 8.290 nan 0.000 0.521 217 K N 0.055 120.527 120.400 0.119 0.000 2.355 217 K HA 0.376 4.696 4.320 -0.000 0.000 0.270 217 K C 1.812 178.502 176.600 0.150 0.000 1.003 217 K CA 0.331 56.704 56.287 0.144 0.000 0.957 217 K CB 0.493 33.060 32.500 0.111 0.000 0.939 217 K HN 0.540 nan 8.250 nan 0.000 0.482 218 T N 1.909 116.556 114.554 0.155 0.000 2.624 218 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 218 T C 1.170 175.702 174.700 -0.280 0.000 1.041 218 T CA 1.670 63.733 62.100 -0.062 0.000 1.159 218 T CB -0.255 68.474 68.868 -0.232 0.000 0.863 218 T HN 0.424 nan 8.240 nan 0.000 0.434 219 F N 0.825 120.806 119.950 0.052 0.000 2.816 219 F HA 0.385 4.912 4.527 -0.000 0.000 0.302 219 F C 1.909 177.709 175.800 -0.000 0.000 1.178 219 F CA -0.130 57.881 58.000 0.018 0.000 1.421 219 F CB -0.302 38.710 39.000 0.020 0.000 1.114 219 F HN 0.163 nan 8.300 nan 0.000 0.573 220 A N -1.097 121.769 122.820 0.076 0.000 2.419 220 A HA 0.282 4.602 4.320 -0.000 0.000 0.233 220 A C 1.863 179.418 177.584 -0.047 0.000 1.217 220 A CA -0.070 51.986 52.037 0.032 0.000 0.944 220 A CB -0.293 18.727 19.000 0.033 0.000 1.025 220 A HN 0.325 nan 8.150 nan 0.000 0.524 221 L N -0.113 121.051 121.223 -0.098 0.000 2.017 221 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 221 L C 2.433 179.202 176.870 -0.169 0.000 1.073 221 L CA 1.543 56.272 54.840 -0.185 0.000 0.745 221 L CB -0.397 41.494 42.059 -0.281 0.000 0.894 221 L HN 0.316 nan 8.230 nan 0.000 0.432 222 K N -0.118 120.205 120.400 -0.128 0.000 2.057 222 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 222 K C 1.753 178.323 176.600 -0.049 0.000 1.049 222 K CA 1.560 57.790 56.287 -0.094 0.000 0.931 222 K CB -0.234 32.229 32.500 -0.062 0.000 0.714 222 K HN 0.327 nan 8.250 nan 0.000 0.440 223 D N 1.103 121.488 120.400 -0.025 0.000 2.097 223 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 223 D C 1.889 178.199 176.300 0.016 0.000 0.989 223 D CA 1.421 55.422 54.000 0.002 0.000 0.827 223 D CB -0.091 40.717 40.800 0.014 0.000 0.966 223 D HN 0.388 nan 8.370 nan 0.000 0.456 224 K N 0.934 121.328 120.400 -0.010 0.000 2.155 224 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 224 K C 2.101 178.785 176.600 0.140 0.000 1.052 224 K CA 1.139 57.453 56.287 0.044 0.000 0.948 224 K CB -0.072 32.334 32.500 -0.157 0.000 0.728 224 K HN -0.015 nan 8.250 nan 0.000 0.448 225 A N 2.232 125.063 122.820 0.019 0.000 1.969 225 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 225 A C 2.159 179.775 177.584 0.055 0.000 1.169 225 A CA 1.500 53.562 52.037 0.043 0.000 0.635 225 A CB -0.413 18.542 19.000 -0.075 0.000 0.810 225 A HN 0.429 nan 8.150 nan 0.000 0.445 226 K N -0.839 119.580 120.400 0.032 0.000 2.097 226 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 226 K C 2.164 178.792 176.600 0.045 0.000 1.050 226 K CA 0.798 57.102 56.287 0.027 0.000 0.938 226 K CB -0.106 32.402 32.500 0.014 0.000 0.718 226 K HN 0.201 nan 8.250 nan 0.000 0.442 227 R N 0.339 120.884 120.500 0.075 0.000 2.075 227 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 227 R C 2.271 178.604 176.300 0.056 0.000 1.126 227 R CA 1.279 57.424 56.100 0.075 0.000 0.963 227 R CB -0.751 29.619 30.300 0.116 0.000 0.858 227 R HN 0.304 nan 8.270 nan 0.000 0.435 228 A N 1.181 124.061 122.820 0.100 0.000 1.908 228 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 228 A C 2.391 179.964 177.584 -0.019 0.000 1.181 228 A CA 1.983 54.019 52.037 -0.003 0.000 0.627 228 A CB -0.595 18.459 19.000 0.089 0.000 0.818 228 A HN 0.354 nan 8.150 nan 0.000 0.445 229 A N -0.085 122.744 122.820 0.015 0.000 1.902 229 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 229 A C 1.898 179.483 177.584 0.001 0.000 1.181 229 A CA 1.627 53.670 52.037 0.009 0.000 0.623 229 A CB -0.582 18.431 19.000 0.023 0.000 0.818 229 A HN 0.653 nan 8.150 nan 0.000 0.443 230 E N -0.197 120.006 120.200 0.005 0.000 2.153 230 E HA -0.115 4.234 4.350 -0.000 0.000 0.194 230 E C 1.538 178.132 176.600 -0.010 0.000 0.988 230 E CA 0.995 57.396 56.400 0.001 0.000 0.811 230 E CB -0.268 29.437 29.700 0.008 0.000 0.746 230 E HN 0.616 nan 8.360 nan 0.000 0.466 231 L N -0.219 120.990 121.223 -0.024 0.000 2.599 231 L HA 0.121 4.461 4.340 -0.000 0.000 0.230 231 L C 1.157 178.001 176.870 -0.043 0.000 1.141 231 L CA 0.288 55.104 54.840 -0.040 0.000 0.877 231 L CB -0.004 42.013 42.059 -0.070 0.000 1.009 231 L HN 0.264 nan 8.230 nan 0.000 0.447 232 G N 0.517 109.295 108.800 -0.037 0.000 2.182 232 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.248 232 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.248 232 G C 0.380 175.250 174.900 -0.049 0.000 1.042 232 G CA -0.001 45.078 45.100 -0.036 0.000 0.775 232 G HN 0.490 nan 8.290 nan 0.000 0.501 233 A N -0.348 122.429 122.820 -0.072 0.000 2.498 233 A HA 0.500 4.820 4.320 -0.000 0.000 0.239 233 A C 1.317 178.857 177.584 -0.074 0.000 1.068 233 A CA 0.896 52.874 52.037 -0.099 0.000 0.766 233 A CB 0.362 19.277 19.000 -0.142 0.000 1.003 233 A HN 0.285 nan 8.150 nan 0.000 0.497 234 D N 0.188 120.544 120.400 -0.073 0.000 2.149 234 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 234 D C 0.217 176.480 176.300 -0.063 0.000 0.967 234 D CA 1.534 55.497 54.000 -0.062 0.000 0.848 234 D CB 0.086 40.868 40.800 -0.031 0.000 0.998 234 D HN 0.271 nan 8.370 nan 0.000 0.474 235 V N 0.790 120.659 119.914 -0.075 0.000 3.012 235 V HA 0.307 4.427 4.120 -0.000 0.000 0.307 235 V C -0.735 175.321 176.094 -0.062 0.000 1.166 235 V CA -0.798 61.480 62.300 -0.036 0.000 0.974 235 V CB 2.933 34.721 31.823 -0.060 0.000 1.040 235 V HN -0.057 nan 8.190 nan 0.000 0.428 236 L N 4.100 125.326 121.223 0.004 0.000 2.280 236 L HA 0.533 4.872 4.340 -0.000 0.000 0.287 236 L C -0.562 176.336 176.870 0.047 0.000 1.023 236 L CA -0.565 54.287 54.840 0.020 0.000 0.819 236 L CB 1.477 43.548 42.059 0.020 0.000 1.212 236 L HN 0.478 nan 8.230 nan 0.000 0.420 237 L N 4.122 125.369 121.223 0.040 0.000 2.331 237 L HA 0.469 4.809 4.340 -0.000 0.000 0.278 237 L C -1.076 175.911 176.870 0.194 0.000 1.106 237 L CA 0.432 55.320 54.840 0.080 0.000 0.824 237 L CB 0.791 42.868 42.059 0.030 0.000 1.142 237 L HN 0.378 nan 8.230 nan 0.000 0.443 238 F N 4.280 124.236 119.950 0.009 0.000 2.562 238 F HA 0.434 4.961 4.527 0.000 0.000 0.319 238 F C -0.048 175.789 175.800 0.063 0.000 1.154 238 F CA -0.953 57.038 58.000 -0.015 0.000 0.931 238 F CB 1.282 40.233 39.000 -0.083 0.000 1.198 238 F HN 0.592 nan 8.300 nan 0.000 0.444 239 N N 5.183 123.674 118.700 -0.348 0.000 3.254 239 N HA 0.055 4.795 4.740 -0.000 0.000 0.308 239 N C 1.430 176.659 175.510 -0.469 0.000 1.281 239 N CA -0.171 52.758 53.050 -0.201 0.000 1.212 239 N CB 0.696 39.178 38.487 -0.008 0.000 1.478 239 N HN 0.567 nan 8.380 nan 0.000 0.548 240 V N 0.572 120.045 119.914 -0.734 0.000 2.370 240 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 240 V C 1.217 177.084 176.094 -0.379 0.000 1.068 240 V CA 1.980 63.859 62.300 -0.702 0.000 1.061 240 V CB -0.458 31.055 31.823 -0.516 0.000 0.656 240 V HN 0.481 nan 8.190 nan 0.000 0.455 241 F N 0.621 120.553 119.950 -0.029 0.000 2.546 241 F HA 0.134 4.661 4.527 0.000 0.000 0.298 241 F C 2.204 178.095 175.800 0.152 0.000 1.120 241 F CA 1.024 59.098 58.000 0.124 0.000 1.456 241 F CB -0.758 38.393 39.000 0.251 0.000 1.088 241 F HN 0.264 nan 8.300 nan 0.000 0.572 242 A N -2.043 120.827 122.820 0.084 0.000 2.218 242 A HA 0.121 4.440 4.320 -0.000 0.000 0.209 242 A C 0.944 178.283 177.584 -0.408 0.000 1.168 242 A CA 0.533 52.428 52.037 -0.237 0.000 0.804 242 A CB -0.418 18.381 19.000 -0.335 0.000 0.834 242 A HN 0.356 nan 8.150 nan 0.000 0.482 243 Y N -0.762 119.469 120.300 -0.115 0.000 2.845 243 Y HA 0.555 5.105 4.550 0.000 0.000 0.144 243 Y C 1.297 177.198 175.900 0.001 0.000 0.890 243 Y CA 0.181 58.245 58.100 -0.060 0.000 1.725 243 Y CB -0.001 38.438 38.460 -0.035 0.000 1.172 243 Y HN 0.222 nan 8.280 nan 0.000 0.385 244 G N -1.076 107.844 108.800 0.200 0.000 2.616 244 G HA2 0.326 4.286 3.960 -0.000 0.000 0.294 244 G HA3 0.326 4.286 3.960 -0.000 0.000 0.294 244 G C -0.455 174.477 174.900 0.053 0.000 1.489 244 G CA -0.731 44.443 45.100 0.124 0.000 0.836 244 G HN 0.335 nan 8.290 nan 0.000 0.527 245 L N 0.029 121.246 121.223 -0.010 0.000 2.081 245 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 245 L C 2.481 179.351 176.870 -0.001 0.000 1.080 245 L CA 2.028 56.825 54.840 -0.071 0.000 0.754 245 L CB -0.077 41.934 42.059 -0.080 0.000 0.893 245 L HN 0.760 nan 8.230 nan 0.000 0.433 246 D N -0.503 119.924 120.400 0.046 0.000 2.178 246 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 246 D C 2.068 178.375 176.300 0.012 0.000 0.980 246 D CA 0.884 54.913 54.000 0.049 0.000 0.842 246 D CB 0.219 41.063 40.800 0.073 0.000 0.948 246 D HN 0.043 nan 8.370 nan 0.000 0.472 247 V N 0.395 120.325 119.914 0.026 0.000 2.358 247 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 247 V C 2.392 178.434 176.094 -0.087 0.000 1.047 247 V CA 1.326 63.612 62.300 -0.023 0.000 1.035 247 V CB -0.560 31.304 31.823 0.068 0.000 0.658 247 V HN 0.310 nan 8.190 nan 0.000 0.452 248 L N 0.310 121.543 121.223 0.017 0.000 2.012 248 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 248 L C 2.459 179.263 176.870 -0.110 0.000 1.073 248 L CA 2.320 57.129 54.840 -0.052 0.000 0.748 248 L CB -0.935 41.143 42.059 0.032 0.000 0.891 248 L HN 0.401 nan 8.230 nan 0.000 0.431 249 Q N -0.799 118.960 119.800 -0.068 0.000 2.096 249 Q HA -0.219 4.120 4.340 -0.000 0.000 0.204 249 Q C 2.123 178.070 176.000 -0.088 0.000 0.982 249 Q CA 1.883 57.648 55.803 -0.063 0.000 0.850 249 Q CB -0.217 28.520 28.738 -0.003 0.000 0.901 249 Q HN 0.683 nan 8.270 nan 0.000 0.422 250 A N 0.650 123.412 122.820 -0.096 0.000 1.902 250 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 250 A C 2.033 179.533 177.584 -0.139 0.000 1.181 250 A CA 1.192 53.165 52.037 -0.107 0.000 0.623 250 A CB -0.665 18.271 19.000 -0.106 0.000 0.818 250 A HN 0.446 nan 8.150 nan 0.000 0.443 251 L N -1.022 120.081 121.223 -0.200 0.000 2.056 251 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 251 L C 2.756 179.533 176.870 -0.156 0.000 1.078 251 L CA 1.704 56.407 54.840 -0.227 0.000 0.749 251 L CB -0.445 41.382 42.059 -0.386 0.000 0.901 251 L HN 0.454 nan 8.230 nan 0.000 0.433 252 R N 1.019 121.435 120.500 -0.140 0.000 2.081 252 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 252 R C 1.837 178.073 176.300 -0.106 0.000 1.131 252 R CA 1.657 57.692 56.100 -0.109 0.000 0.960 252 R CB -0.382 29.855 30.300 -0.105 0.000 0.856 252 R HN 0.382 nan 8.270 nan 0.000 0.436 253 E N 0.332 120.471 120.200 -0.103 0.000 2.481 253 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 253 E C -0.316 176.234 176.600 -0.083 0.000 1.047 253 E CA 0.140 56.483 56.400 -0.095 0.000 0.867 253 E CB -0.030 29.613 29.700 -0.095 0.000 0.858 253 E HN 0.306 nan 8.360 nan 0.000 0.513 254 D N 1.580 121.932 120.400 -0.080 0.000 2.344 254 D HA -0.035 4.604 4.640 -0.000 0.000 0.253 254 D C 0.742 177.011 176.300 -0.051 0.000 1.255 254 D CA 0.115 54.077 54.000 -0.063 0.000 0.894 254 D CB 0.748 41.507 40.800 -0.067 0.000 1.067 254 D HN -0.079 nan 8.370 nan 0.000 0.492 255 E N 2.688 122.861 120.200 -0.045 0.000 2.333 255 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 255 E C 0.915 177.505 176.600 -0.017 0.000 1.007 255 E CA 0.632 57.011 56.400 -0.035 0.000 0.845 255 E CB 0.249 29.928 29.700 -0.034 0.000 0.766 255 E HN 0.690 nan 8.360 nan 0.000 0.507 256 E N -0.290 119.900 120.200 -0.017 0.000 2.502 256 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 256 E C 1.589 178.189 176.600 0.000 0.000 1.062 256 E CA 0.033 56.429 56.400 -0.006 0.000 0.867 256 E CB 0.336 30.031 29.700 -0.008 0.000 0.888 256 E HN 0.270 nan 8.360 nan 0.000 0.510 257 I N 0.252 120.819 120.570 -0.005 0.000 3.325 257 I HA 0.098 4.268 4.170 -0.000 0.000 0.237 257 I C 0.955 177.097 176.117 0.042 0.000 1.068 257 I CA 0.211 61.515 61.300 0.006 0.000 1.511 257 I CB -0.082 37.903 38.000 -0.024 0.000 1.409 257 I HN -0.102 nan 8.210 nan 0.000 0.464 258 A N 1.686 124.535 122.820 0.047 0.000 2.560 258 A HA -0.123 4.197 4.320 -0.000 0.000 0.299 258 A C -0.238 177.519 177.584 0.287 0.000 1.484 258 A CA 0.324 52.434 52.037 0.121 0.000 0.749 258 A CB -2.108 16.945 19.000 0.089 0.000 1.072 258 A HN 0.191 nan 8.150 nan 0.000 0.426 259 V N 0.431 120.499 119.914 0.256 0.000 2.735 259 V HA 0.520 4.640 4.120 -0.000 0.000 0.310 259 V C -2.147 174.115 176.094 0.279 0.000 1.061 259 V CA -1.825 60.594 62.300 0.198 0.000 0.913 259 V CB 2.131 33.996 31.823 0.071 0.000 1.005 259 V HN 0.355 nan 8.190 nan 0.000 0.428 260 P HA 0.194 nan 4.420 nan 0.000 0.265 260 P C -0.852 176.595 177.300 0.245 0.000 1.187 260 P CA 0.406 63.659 63.100 0.255 0.000 0.766 260 P CB 0.374 32.142 31.700 0.114 0.000 0.820 261 I N 2.828 123.564 120.570 0.278 0.000 2.436 261 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 261 I C 0.117 176.444 176.117 0.350 0.000 1.010 261 I CA -0.661 60.769 61.300 0.216 0.000 1.098 261 I CB 1.618 39.679 38.000 0.102 0.000 1.266 261 I HN 0.238 nan 8.210 nan 0.000 0.434 262 M N 6.388 126.151 119.600 0.271 0.000 2.066 262 M HA 0.623 5.102 4.480 -0.000 0.000 0.340 262 M C -0.601 175.817 176.300 0.195 0.000 1.053 262 M CA -0.436 55.008 55.300 0.241 0.000 0.983 262 M CB 1.111 33.656 32.600 -0.092 0.000 1.520 262 M HN 0.704 nan 8.290 nan 0.000 0.428 263 A N 4.518 127.459 122.820 0.200 0.000 2.362 263 A HA 0.296 4.616 4.320 -0.000 0.000 0.276 263 A C -0.800 176.876 177.584 0.155 0.000 1.153 263 A CA -0.361 51.768 52.037 0.153 0.000 0.813 263 A CB 0.120 19.167 19.000 0.078 0.000 1.081 263 A HN 0.902 nan 8.150 nan 0.000 0.507 264 H N 4.650 123.773 119.070 0.088 0.000 2.467 264 H HA 0.314 4.870 4.556 -0.000 0.000 0.331 264 H C -1.871 173.600 175.328 0.238 0.000 1.120 264 H CA -1.702 54.416 56.048 0.116 0.000 1.270 264 H CB 2.073 31.878 29.762 0.072 0.000 1.466 264 H HN 0.437 nan 8.280 nan 0.000 0.504 265 P HA 0.021 nan 4.420 nan 0.000 0.245 265 P C 0.025 177.494 177.300 0.282 0.000 1.212 265 P CA 0.017 63.235 63.100 0.197 0.000 0.774 265 P CB -0.027 31.671 31.700 -0.003 0.000 0.999 266 A N 0.180 123.340 122.820 0.567 0.000 2.580 266 A HA 0.054 4.374 4.320 -0.000 0.000 0.244 266 A C 0.594 178.441 177.584 0.439 0.000 1.045 266 A CA 0.270 52.577 52.037 0.451 0.000 0.761 266 A CB -1.418 17.800 19.000 0.364 0.000 0.962 266 A HN 0.298 nan 8.150 nan 0.000 0.512 267 F N 1.353 121.379 119.950 0.126 0.000 2.590 267 F HA -0.344 4.183 4.527 -0.001 0.000 0.471 267 F C 1.931 177.732 175.800 0.002 0.000 0.551 267 F CA 2.104 60.160 58.000 0.093 0.000 1.228 267 F CB -1.766 37.325 39.000 0.152 0.000 1.862 267 F HN 0.873 nan 8.300 nan 0.000 0.271 268 S N -0.268 115.271 115.700 -0.268 0.000 2.442 268 S HA 0.027 4.497 4.470 -0.000 0.000 0.236 268 S C 2.170 176.588 174.600 -0.304 0.000 1.007 268 S CA 1.122 58.961 58.200 -0.602 0.000 0.965 268 S CB -0.982 61.582 63.200 -1.060 0.000 0.773 268 S HN 0.872 nan 8.310 nan 0.000 0.504 269 G N 0.730 109.389 108.800 -0.236 0.000 2.559 269 G HA2 0.247 4.207 3.960 -0.000 0.000 0.216 269 G HA3 0.247 4.207 3.960 -0.000 0.000 0.216 269 G C 1.359 176.119 174.900 -0.232 0.000 1.126 269 G CA 0.397 45.393 45.100 -0.174 0.000 0.778 269 G HN 0.749 nan 8.290 nan 0.000 0.543 270 A N -0.365 122.198 122.820 -0.429 0.000 2.119 270 A HA 0.376 4.696 4.320 -0.000 0.000 0.216 270 A C 2.150 179.550 177.584 -0.307 0.000 1.152 270 A CA 1.165 52.937 52.037 -0.442 0.000 0.708 270 A CB 0.131 18.579 19.000 -0.920 0.000 0.805 270 A HN 0.234 nan 8.150 nan 0.000 0.460 271 V N -0.940 118.793 119.914 -0.302 0.000 3.307 271 V HA -0.055 4.065 4.120 -0.000 0.000 0.244 271 V C 2.592 178.545 176.094 -0.234 0.000 1.196 271 V CA 1.801 63.928 62.300 -0.288 0.000 1.132 271 V CB 0.110 31.632 31.823 -0.500 0.000 0.875 271 V HN 0.728 nan 8.190 nan 0.000 0.468 272 T N -1.241 113.206 114.554 -0.177 0.000 3.009 272 T HA 0.051 4.401 4.350 -0.000 0.000 0.258 272 T C 0.279 174.928 174.700 -0.084 0.000 1.063 272 T CA 0.814 62.846 62.100 -0.115 0.000 1.139 272 T CB -1.066 67.770 68.868 -0.053 0.000 0.890 272 T HN 0.441 nan 8.240 nan 0.000 0.471 273 P HA 0.067 nan 4.420 nan 0.000 0.220 273 P C 0.918 178.165 177.300 -0.088 0.000 1.148 273 P CA 0.581 63.638 63.100 -0.072 0.000 0.803 273 P CB -0.147 31.517 31.700 -0.061 0.000 0.782 274 S N 0.080 115.744 115.700 -0.061 0.000 2.568 274 S HA -0.037 4.432 4.470 -0.000 0.000 0.282 274 S C 1.329 175.786 174.600 -0.238 0.000 1.338 274 S CA -0.284 57.866 58.200 -0.084 0.000 1.045 274 S CB 0.478 63.748 63.200 0.116 0.000 0.873 274 S HN 0.211 nan 8.310 nan 0.000 0.516 275 E N 2.282 122.165 120.200 -0.528 0.000 2.299 275 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 275 E C 0.335 176.452 176.600 -0.805 0.000 0.998 275 E CA 0.853 56.810 56.400 -0.739 0.000 0.851 275 E CB 0.011 29.063 29.700 -1.080 0.000 0.795 275 E HN 0.821 nan 8.360 nan 0.000 0.492 276 F N -1.314 118.428 119.950 -0.348 0.000 2.727 276 F HA 0.284 4.811 4.527 -0.001 0.000 0.302 276 F C -0.023 175.398 175.800 -0.632 0.000 1.107 276 F CA -0.372 57.239 58.000 -0.649 0.000 1.277 276 F CB 0.258 38.617 39.000 -1.068 0.000 1.079 276 F HN -0.116 nan 8.300 nan 0.000 0.594 277 Y N -0.650 119.765 120.300 0.191 0.000 2.698 277 Y HA 0.728 5.278 4.550 -0.001 0.000 0.332 277 Y C 0.909 176.874 175.900 0.109 0.000 1.119 277 Y CA -1.545 56.667 58.100 0.186 0.000 1.109 277 Y CB 0.408 38.965 38.460 0.162 0.000 1.308 277 Y HN 0.070 nan 8.280 nan 0.000 0.499 278 G N -0.359 108.656 108.800 0.357 0.000 2.584 278 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.229 278 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.229 278 G C -1.740 173.130 174.900 -0.050 0.000 1.320 278 G CA -0.461 44.725 45.100 0.142 0.000 0.891 278 G HN 0.879 nan 8.290 nan 0.000 0.573 279 V N 0.506 120.271 119.914 -0.249 0.000 2.656 279 V HA 0.751 4.870 4.120 -0.000 0.000 0.307 279 V C 0.904 176.882 176.094 -0.192 0.000 1.051 279 V CA -0.136 61.961 62.300 -0.338 0.000 0.893 279 V CB 1.226 32.727 31.823 -0.537 0.000 0.999 279 V HN 2.201 nan 8.190 nan 0.000 0.426 280 A N 6.639 129.380 122.820 -0.131 0.000 2.498 280 A HA 0.432 4.752 4.320 -0.000 0.000 0.239 280 A C -0.825 176.768 177.584 0.014 0.000 1.068 280 A CA -0.741 51.256 52.037 -0.066 0.000 0.766 280 A CB 0.010 18.965 19.000 -0.074 0.000 1.003 280 A HN 0.723 nan 8.150 nan 0.000 0.497 281 P HA -0.204 nan 4.420 nan 0.000 0.218 281 P C 1.498 178.822 177.300 0.040 0.000 1.148 281 P CA 1.937 65.073 63.100 0.061 0.000 0.822 281 P CB -0.110 31.598 31.700 0.013 0.000 0.784 282 S N -0.656 115.040 115.700 -0.008 0.000 2.399 282 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 282 S C 1.972 176.586 174.600 0.023 0.000 1.022 282 S CA 1.087 59.270 58.200 -0.029 0.000 0.983 282 S CB -1.438 61.735 63.200 -0.044 0.000 0.803 282 S HN 0.074 nan 8.310 nan 0.000 0.480 283 L N 0.188 121.450 121.223 0.065 0.000 2.145 283 L HA 0.359 4.698 4.340 -0.000 0.000 0.201 283 L C 2.253 179.276 176.870 0.256 0.000 1.075 283 L CA 1.126 56.037 54.840 0.119 0.000 0.773 283 L CB -0.884 41.220 42.059 0.074 0.000 0.936 283 L HN 0.500 nan 8.230 nan 0.000 0.451 284 W N -0.400 120.923 121.300 0.039 0.000 2.381 284 W HA -0.165 4.495 4.660 0.000 0.000 0.301 284 W C 1.851 178.523 176.519 0.256 0.000 1.205 284 W CA 1.239 58.665 57.345 0.134 0.000 1.285 284 W CB 0.285 29.781 29.460 0.061 0.000 1.133 284 W HN 0.182 nan 8.180 nan 0.000 0.521 285 L N -1.186 120.182 121.223 0.242 0.000 2.515 285 L HA 0.202 4.542 4.340 -0.000 0.000 0.223 285 L C 2.295 179.214 176.870 0.082 0.000 1.079 285 L CA 0.773 55.724 54.840 0.185 0.000 0.857 285 L CB -0.559 41.585 42.059 0.142 0.000 1.050 285 L HN -0.094 nan 8.230 nan 0.000 0.476 286 G N -0.333 108.491 108.800 0.040 0.000 2.680 286 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.224 286 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.224 286 G C 1.311 176.230 174.900 0.031 0.000 1.454 286 G CA 0.199 45.300 45.100 0.001 0.000 0.900 286 G HN 0.028 nan 8.290 nan 0.000 0.570 287 K N -0.047 120.387 120.400 0.057 0.000 2.020 287 K HA -0.036 4.284 4.320 -0.000 0.000 0.212 287 K C 2.567 179.215 176.600 0.080 0.000 1.050 287 K CA 1.388 57.733 56.287 0.097 0.000 0.929 287 K CB -0.358 32.219 32.500 0.128 0.000 0.714 287 K HN 0.296 nan 8.250 nan 0.000 0.443 288 L N 0.732 122.000 121.223 0.075 0.000 2.093 288 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 288 L C 2.400 179.209 176.870 -0.102 0.000 1.085 288 L CA 0.747 55.591 54.840 0.006 0.000 0.755 288 L CB -0.307 41.782 42.059 0.049 0.000 0.904 288 L HN 0.249 nan 8.230 nan 0.000 0.435 289 L N -0.463 120.703 121.223 -0.095 0.000 2.093 289 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 289 L C 2.825 179.627 176.870 -0.114 0.000 1.085 289 L CA 1.033 55.798 54.840 -0.125 0.000 0.755 289 L CB -0.494 41.516 42.059 -0.082 0.000 0.904 289 L HN 0.297 nan 8.230 nan 0.000 0.435 290 R N 0.905 121.349 120.500 -0.094 0.000 2.066 290 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 290 R C 2.417 178.514 176.300 -0.338 0.000 1.131 290 R CA 1.393 57.419 56.100 -0.123 0.000 0.955 290 R CB -0.283 29.996 30.300 -0.034 0.000 0.851 290 R HN 0.307 nan 8.270 nan 0.000 0.432 291 L N 0.426 121.382 121.223 -0.446 0.000 2.083 291 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 291 L C 2.281 178.814 176.870 -0.562 0.000 1.083 291 L CA 1.768 56.075 54.840 -0.889 0.000 0.752 291 L CB -0.332 41.408 42.059 -0.532 0.000 0.899 291 L HN 0.308 nan 8.230 nan 0.000 0.433 292 A N -0.847 121.789 122.820 -0.307 0.000 2.066 292 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 292 A C 1.712 179.204 177.584 -0.154 0.000 1.157 292 A CA 1.106 53.036 52.037 -0.177 0.000 0.670 292 A CB -0.440 18.475 19.000 -0.142 0.000 0.804 292 A HN 0.739 nan 8.150 nan 0.000 0.453 293 G N -2.948 105.747 108.800 -0.174 0.000 2.234 293 G HA2 0.281 4.241 3.960 -0.000 0.000 0.153 293 G HA3 0.281 4.241 3.960 -0.000 0.000 0.153 293 G C 0.204 175.069 174.900 -0.059 0.000 1.013 293 G CA -0.004 45.023 45.100 -0.122 0.000 0.712 293 G HN 1.309 nan 8.290 nan 0.000 0.491 294 A N 0.504 123.300 122.820 -0.041 0.000 2.409 294 A HA 0.575 4.895 4.320 -0.000 0.000 0.267 294 A C 1.033 178.644 177.584 0.045 0.000 1.127 294 A CA 0.586 52.645 52.037 0.037 0.000 0.795 294 A CB 0.339 19.370 19.000 0.051 0.000 1.061 294 A HN 0.173 nan 8.150 nan 0.000 0.502 295 D N 1.166 121.617 120.400 0.085 0.000 2.271 295 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 295 D C -0.470 175.731 176.300 -0.165 0.000 0.967 295 D CA 1.388 55.354 54.000 -0.057 0.000 0.867 295 D CB 0.163 40.915 40.800 -0.080 0.000 0.960 295 D HN 0.565 nan 8.370 nan 0.000 0.509 296 F N 0.003 120.040 119.950 0.145 0.000 2.565 296 F HA 0.424 4.951 4.527 -0.000 0.000 0.313 296 F C -0.260 175.612 175.800 0.120 0.000 1.091 296 F CA -1.072 57.022 58.000 0.157 0.000 0.915 296 F CB 2.380 41.433 39.000 0.089 0.000 1.208 296 F HN -0.453 nan 8.300 nan 0.000 0.453 297 V N 4.129 124.246 119.914 0.338 0.000 2.482 297 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 297 V C -0.840 175.410 176.094 0.260 0.000 1.026 297 V CA -0.580 61.879 62.300 0.265 0.000 0.856 297 V CB 1.647 33.617 31.823 0.245 0.000 1.001 297 V HN 0.466 nan 8.190 nan 0.000 0.424 298 L N 6.765 128.057 121.223 0.116 0.000 2.305 298 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 298 L C -0.362 176.524 176.870 0.026 0.000 1.085 298 L CA 0.316 55.114 54.840 -0.070 0.000 0.813 298 L CB 0.749 42.683 42.059 -0.207 0.000 1.157 298 L HN 0.655 nan 8.230 nan 0.000 0.436 299 F N 1.460 121.358 119.950 -0.087 0.000 2.645 299 F HA 0.731 5.258 4.527 -0.001 0.000 0.310 299 F C -2.825 172.928 175.800 -0.079 0.000 1.102 299 F CA -3.144 54.816 58.000 -0.065 0.000 0.952 299 F CB 0.678 39.663 39.000 -0.025 0.000 1.326 299 F HN 0.197 nan 8.300 nan 0.000 0.456 300 P HA 0.079 nan 4.420 nan 0.000 0.258 300 P C -0.272 177.061 177.300 0.055 0.000 1.187 300 P CA 0.280 63.410 63.100 0.050 0.000 0.767 300 P CB 0.604 32.349 31.700 0.074 0.000 0.770 301 S N 5.309 120.950 115.700 -0.098 0.000 2.600 301 S HA 0.300 4.770 4.470 -0.000 0.000 0.265 301 S C -1.699 172.800 174.600 -0.170 0.000 1.325 301 S CA -1.012 57.099 58.200 -0.148 0.000 1.002 301 S CB 0.264 63.407 63.200 -0.095 0.000 0.921 301 S HN 0.326 nan 8.310 nan 0.000 0.554 302 P HA 0.251 nan 4.420 nan 0.000 0.249 302 P C -1.249 175.772 177.300 -0.466 0.000 1.583 302 P CA -0.020 62.840 63.100 -0.402 0.000 0.988 302 P CB -0.535 30.954 31.700 -0.353 0.000 1.530 303 Y N -0.414 119.937 120.300 0.086 0.000 2.536 303 Y HA 0.636 5.186 4.550 -0.000 0.000 0.347 303 Y C 1.178 177.113 175.900 0.059 0.000 1.000 303 Y CA -0.619 57.523 58.100 0.071 0.000 1.051 303 Y CB 1.229 39.728 38.460 0.065 0.000 1.259 303 Y HN 0.176 nan 8.280 nan 0.000 0.468 304 G N 0.230 109.167 108.800 0.228 0.000 2.728 304 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.294 304 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.294 304 G C 0.775 175.730 174.900 0.092 0.000 1.342 304 G CA -0.179 45.007 45.100 0.144 0.000 0.866 304 G HN 1.264 nan 8.290 nan 0.000 0.534 305 S N -1.614 114.128 115.700 0.070 0.000 2.402 305 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 305 S C 1.840 176.463 174.600 0.039 0.000 1.030 305 S CA 2.960 61.190 58.200 0.051 0.000 1.003 305 S CB -0.376 62.851 63.200 0.045 0.000 0.813 305 S HN 2.225 nan 8.310 nan 0.000 0.477 306 V N -1.705 118.231 119.914 0.038 0.000 2.804 306 V HA 0.813 4.933 4.120 -0.000 0.000 0.360 306 V C 0.347 176.452 176.094 0.019 0.000 1.282 306 V CA -0.951 61.363 62.300 0.024 0.000 1.274 306 V CB -0.787 31.049 31.823 0.021 0.000 1.415 306 V HN 0.552 nan 8.190 nan 0.000 0.610 307 A N 1.541 124.375 122.820 0.024 0.000 2.540 307 A HA 0.506 4.825 4.320 -0.000 0.000 0.239 307 A C -0.156 177.424 177.584 -0.006 0.000 1.061 307 A CA 0.012 52.052 52.037 0.006 0.000 0.758 307 A CB 0.362 19.372 19.000 0.015 0.000 0.991 307 A HN 0.912 nan 8.150 nan 0.000 0.502 308 L N 1.908 123.124 121.223 -0.011 0.000 2.371 308 L HA 0.254 4.594 4.340 -0.000 0.000 0.272 308 L C 0.815 177.677 176.870 -0.014 0.000 1.124 308 L CA -0.166 54.675 54.840 0.001 0.000 0.816 308 L CB 0.649 42.734 42.059 0.043 0.000 1.129 308 L HN 0.794 nan 8.230 nan 0.000 0.448 309 E N 4.109 124.299 120.200 -0.017 0.000 2.608 309 E HA -0.170 4.180 4.350 -0.000 0.000 0.259 309 E C 0.967 177.554 176.600 -0.023 0.000 0.951 309 E CA 0.495 56.881 56.400 -0.023 0.000 0.945 309 E CB 0.518 30.200 29.700 -0.030 0.000 0.916 309 E HN 0.766 nan 8.360 nan 0.000 0.477 310 R N 3.820 124.301 120.500 -0.031 0.000 2.112 310 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 310 R C 1.555 177.832 176.300 -0.039 0.000 1.137 310 R CA 2.000 58.075 56.100 -0.042 0.000 0.944 310 R CB 0.047 30.320 30.300 -0.044 0.000 0.857 310 R HN 0.522 nan 8.270 nan 0.000 0.435 311 E N 0.183 120.360 120.200 -0.038 0.000 2.204 311 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 311 E C 2.061 178.639 176.600 -0.036 0.000 0.990 311 E CA 0.850 57.224 56.400 -0.042 0.000 0.821 311 E CB -0.042 29.635 29.700 -0.039 0.000 0.750 311 E HN 0.476 nan 8.360 nan 0.000 0.477 312 Q N 0.202 119.985 119.800 -0.029 0.000 2.046 312 Q HA -0.031 4.309 4.340 -0.000 0.000 0.200 312 Q C 2.198 178.181 176.000 -0.027 0.000 0.975 312 Q CA 1.293 57.077 55.803 -0.031 0.000 0.836 312 Q CB -0.378 28.345 28.738 -0.026 0.000 0.896 312 Q HN 0.245 nan 8.270 nan 0.000 0.428 313 A N 0.996 123.833 122.820 0.029 0.000 1.902 313 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 313 A C 2.248 179.916 177.584 0.141 0.000 1.181 313 A CA 1.110 53.228 52.037 0.136 0.000 0.623 313 A CB -0.723 18.466 19.000 0.315 0.000 0.818 313 A HN 0.305 nan 8.150 nan 0.000 0.443 314 L N -0.822 120.436 121.223 0.057 0.000 2.093 314 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 314 L C 2.802 179.666 176.870 -0.009 0.000 1.085 314 L CA 0.946 55.788 54.840 0.002 0.000 0.755 314 L CB -0.812 41.185 42.059 -0.104 0.000 0.904 314 L HN 0.495 nan 8.230 nan 0.000 0.435 315 G N 0.385 109.160 108.800 -0.042 0.000 2.422 315 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 315 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 315 G C 1.596 176.442 174.900 -0.090 0.000 1.146 315 G CA 0.569 45.635 45.100 -0.056 0.000 0.769 315 G HN 0.263 nan 8.290 nan 0.000 0.547 316 I N 1.257 121.720 120.570 -0.180 0.000 2.202 316 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 316 I C 3.308 179.264 176.117 -0.268 0.000 1.091 316 I CA 0.992 62.098 61.300 -0.323 0.000 1.368 316 I CB -0.272 37.278 38.000 -0.750 0.000 1.058 316 I HN 0.241 nan 8.210 nan 0.000 0.410 317 A N 0.807 123.514 122.820 -0.189 0.000 1.940 317 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 317 A C 2.404 180.024 177.584 0.059 0.000 1.176 317 A CA 1.500 53.570 52.037 0.054 0.000 0.631 317 A CB -0.583 18.666 19.000 0.415 0.000 0.814 317 A HN 0.319 nan 8.150 nan 0.000 0.446 318 R N -0.728 119.790 120.500 0.029 0.000 2.081 318 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 318 R C 2.491 178.801 176.300 0.017 0.000 1.131 318 R CA 1.172 57.285 56.100 0.022 0.000 0.960 318 R CB -0.462 29.840 30.300 0.003 0.000 0.856 318 R HN 0.523 nan 8.270 nan 0.000 0.436 319 A N 1.212 124.032 122.820 0.000 0.000 1.933 319 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 319 A C 2.156 179.763 177.584 0.039 0.000 1.175 319 A CA 1.107 53.156 52.037 0.019 0.000 0.628 319 A CB -0.445 18.558 19.000 0.005 0.000 0.814 319 A HN 0.176 nan 8.150 nan 0.000 0.444 320 L N -0.445 120.791 121.223 0.023 0.000 2.217 320 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 320 L C 2.501 179.394 176.870 0.039 0.000 1.107 320 L CA 1.677 56.540 54.840 0.039 0.000 0.783 320 L CB -0.346 41.744 42.059 0.052 0.000 0.919 320 L HN 0.657 nan 8.230 nan 0.000 0.442 321 T N -6.056 108.521 114.554 0.037 0.000 3.003 321 T HA 0.043 4.392 4.350 -0.000 0.000 0.261 321 T C 0.603 175.317 174.700 0.023 0.000 1.003 321 T CA -0.471 61.641 62.100 0.020 0.000 0.917 321 T CB -0.088 68.792 68.868 0.020 0.000 1.084 321 T HN -0.015 nan 8.240 nan 0.000 0.522 322 D N 4.006 124.426 120.400 0.034 0.000 2.570 322 D HA -0.048 4.592 4.640 -0.000 0.000 0.243 322 D C 0.962 177.277 176.300 0.026 0.000 1.171 322 D CA 0.203 54.220 54.000 0.028 0.000 0.879 322 D CB 0.642 41.462 40.800 0.033 0.000 1.143 322 D HN 0.449 nan 8.370 nan 0.000 0.511 323 D N 2.856 123.262 120.400 0.011 0.000 2.378 323 D HA -0.164 4.476 4.640 -0.000 0.000 0.227 323 D C 0.905 177.203 176.300 -0.004 0.000 1.012 323 D CA 0.465 54.466 54.000 0.002 0.000 0.905 323 D CB 0.129 40.926 40.800 -0.004 0.000 0.895 323 D HN 0.351 nan 8.370 nan 0.000 0.532 324 Q N 0.106 119.905 119.800 -0.000 0.000 2.435 324 Q HA 0.043 4.383 4.340 -0.000 0.000 0.207 324 Q C 0.242 176.229 176.000 -0.022 0.000 0.956 324 Q CA 0.559 56.357 55.803 -0.009 0.000 0.917 324 Q CB 0.247 28.983 28.738 -0.003 0.000 0.997 324 Q HN 0.462 nan 8.270 nan 0.000 0.497 325 E N 1.361 121.553 120.200 -0.013 0.000 2.313 325 E HA 0.121 4.471 4.350 -0.000 0.000 0.272 325 E C -1.856 174.633 176.600 -0.186 0.000 1.038 325 E CA -1.990 54.373 56.400 -0.061 0.000 0.863 325 E CB 0.760 30.513 29.700 0.088 0.000 1.060 325 E HN -0.011 nan 8.360 nan 0.000 0.402 326 P HA 0.135 nan 4.420 nan 0.000 0.258 326 P C -0.849 176.114 177.300 -0.561 0.000 1.559 326 P CA 0.227 63.040 63.100 -0.479 0.000 0.855 326 P CB -0.210 31.187 31.700 -0.505 0.000 1.594 327 F N 0.165 120.124 119.950 0.015 0.000 2.603 327 F HA 0.609 5.136 4.527 -0.000 0.000 0.317 327 F C 0.687 176.475 175.800 -0.019 0.000 1.066 327 F CA -1.841 56.158 58.000 -0.002 0.000 0.941 327 F CB 0.718 39.724 39.000 0.011 0.000 1.291 327 F HN -0.154 nan 8.300 nan 0.000 0.472 328 A N 1.538 124.460 122.820 0.171 0.000 2.406 328 A HA 0.519 4.839 4.320 -0.000 0.000 0.243 328 A C 0.261 177.873 177.584 0.047 0.000 1.082 328 A CA -0.534 51.537 52.037 0.057 0.000 0.786 328 A CB 0.210 19.215 19.000 0.008 0.000 1.029 328 A HN 0.799 nan 8.150 nan 0.000 0.495 329 R N 0.193 120.684 120.500 -0.016 0.000 2.490 329 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 329 R C 0.122 176.367 176.300 -0.091 0.000 1.077 329 R CA 0.264 56.337 56.100 -0.044 0.000 1.065 329 R CB 0.838 31.083 30.300 -0.093 0.000 1.003 329 R HN 0.768 nan 8.270 nan 0.000 0.470 330 A N 3.217 126.006 122.820 -0.051 0.000 2.303 330 A HA 0.365 4.685 4.320 -0.000 0.000 0.317 330 A C -0.650 176.924 177.584 -0.017 0.000 1.149 330 A CA -0.588 51.425 52.037 -0.039 0.000 0.822 330 A CB 0.408 19.423 19.000 0.024 0.000 1.131 330 A HN 0.706 nan 8.150 nan 0.000 0.493 331 F N 2.565 122.479 119.950 -0.060 0.000 2.502 331 F HA 0.275 4.802 4.527 -0.000 0.000 0.371 331 F C -1.887 173.984 175.800 0.118 0.000 1.083 331 F CA -1.358 56.645 58.000 0.004 0.000 1.174 331 F CB 1.134 40.108 39.000 -0.043 0.000 1.096 331 F HN 0.321 nan 8.300 nan 0.000 0.545 332 P HA 0.145 nan 4.420 nan 0.000 0.286 332 P C -1.124 176.302 177.300 0.210 0.000 1.269 332 P CA -0.124 63.227 63.100 0.418 0.000 0.787 332 P CB 1.305 33.237 31.700 0.387 0.000 0.920 333 V N 6.104 126.015 119.914 -0.004 0.000 2.320 333 V HA 0.257 4.376 4.120 -0.000 0.000 0.268 333 V C -2.352 173.215 176.094 -0.878 0.000 1.021 333 V CA -2.081 60.020 62.300 -0.332 0.000 0.813 333 V CB 1.275 32.993 31.823 -0.176 0.000 1.054 333 V HN 0.438 nan 8.190 nan 0.000 0.444 334 P HA 0.217 nan 4.420 nan 0.000 0.267 334 P C -0.247 176.693 177.300 -0.600 0.000 1.209 334 P CA 0.703 63.103 63.100 -1.167 0.000 0.763 334 P CB 0.566 31.786 31.700 -0.801 0.000 0.816 335 S N 2.089 117.490 115.700 -0.499 0.000 2.542 335 S HA 0.823 5.293 4.470 -0.000 0.000 0.293 335 S C -0.761 173.755 174.600 -0.141 0.000 1.089 335 S CA -0.109 57.928 58.200 -0.271 0.000 0.961 335 S CB 1.780 64.819 63.200 -0.268 0.000 1.062 335 S HN 0.704 nan 8.310 nan 0.000 0.483 336 A N 0.502 123.276 122.820 -0.076 0.000 2.435 336 A HA 0.414 4.734 4.320 -0.000 0.000 0.686 336 A C 0.860 178.468 177.584 0.039 0.000 0.138 336 A CA 0.071 52.099 52.037 -0.015 0.000 0.024 336 A CB -1.507 17.489 19.000 -0.008 0.000 3.974 336 A HN 2.544 nan 8.150 nan 0.000 0.548 337 G N -0.242 108.589 108.800 0.053 0.000 2.179 337 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.257 337 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.257 337 G C 0.099 175.077 174.900 0.130 0.000 1.010 337 G CA 0.572 45.735 45.100 0.105 0.000 0.736 337 G HN 1.913 nan 8.290 nan 0.000 0.513 338 I N 2.126 122.730 120.570 0.056 0.000 2.353 338 I HA 0.490 4.660 4.170 -0.000 0.000 0.293 338 I C 0.690 176.836 176.117 0.048 0.000 0.992 338 I CA -0.616 60.694 61.300 0.017 0.000 1.268 338 I CB 0.775 38.758 38.000 -0.029 0.000 1.387 338 I HN 0.475 nan 8.210 nan 0.000 0.478 339 H N 5.277 124.305 119.070 -0.070 0.000 3.037 339 H HA 0.372 4.928 4.556 -0.000 0.000 0.355 339 H C -2.865 172.310 175.328 -0.256 0.000 1.263 339 H CA -1.845 54.044 56.048 -0.267 0.000 1.129 339 H CB 1.272 30.663 29.762 -0.618 0.000 1.861 339 H HN 0.076 nan 8.280 nan 0.000 0.546 340 P HA -0.156 nan 4.420 nan 0.000 0.218 340 P C 1.641 178.792 177.300 -0.248 0.000 1.152 340 P CA 2.783 65.507 63.100 -0.627 0.000 0.857 340 P CB -0.362 31.011 31.700 -0.544 0.000 0.787 341 G N -1.321 107.431 108.800 -0.080 0.000 2.625 341 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 341 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 341 G C 1.233 175.974 174.900 -0.264 0.000 1.132 341 G CA 0.230 45.307 45.100 -0.039 0.000 0.782 341 G HN 0.279 nan 8.290 nan 0.000 0.538 342 L N 0.094 120.982 121.223 -0.558 0.000 2.616 342 L HA 0.139 4.479 4.340 -0.000 0.000 0.229 342 L C 2.486 179.174 176.870 -0.304 0.000 1.110 342 L CA -0.233 54.299 54.840 -0.514 0.000 0.884 342 L CB 0.392 41.990 42.059 -0.769 0.000 1.115 342 L HN 0.028 nan 8.230 nan 0.000 0.481 343 V N 1.117 120.927 119.914 -0.173 0.000 2.282 343 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 343 V C -0.259 175.813 176.094 -0.037 0.000 1.057 343 V CA 2.160 64.427 62.300 -0.054 0.000 1.032 343 V CB -1.416 30.412 31.823 0.008 0.000 0.645 343 V HN 0.352 nan 8.190 nan 0.000 0.447 344 P HA -0.141 nan 4.420 nan 0.000 0.215 344 P C 1.900 179.193 177.300 -0.012 0.000 1.153 344 P CA 1.145 64.235 63.100 -0.017 0.000 0.853 344 P CB -0.060 31.627 31.700 -0.020 0.000 0.788 345 L N -0.844 120.344 121.223 -0.058 0.000 2.093 345 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 345 L C 2.124 179.025 176.870 0.052 0.000 1.085 345 L CA 1.609 56.429 54.840 -0.033 0.000 0.755 345 L CB -1.155 40.834 42.059 -0.118 0.000 0.904 345 L HN -0.118 nan 8.230 nan 0.000 0.435 346 I N -0.822 119.762 120.570 0.022 0.000 2.179 346 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 346 I C 2.369 178.659 176.117 0.288 0.000 1.088 346 I CA 1.602 63.053 61.300 0.252 0.000 1.357 346 I CB -0.314 37.765 38.000 0.131 0.000 1.051 346 I HN 0.210 nan 8.210 nan 0.000 0.409 347 I N 0.230 120.892 120.570 0.153 0.000 2.315 347 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 347 I C 2.780 178.966 176.117 0.115 0.000 1.117 347 I CA 1.119 62.503 61.300 0.140 0.000 1.404 347 I CB -0.400 37.653 38.000 0.088 0.000 1.071 347 I HN 0.210 nan 8.210 nan 0.000 0.419 348 R N 0.996 121.543 120.500 0.079 0.000 2.075 348 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 348 R C 1.822 178.128 176.300 0.011 0.000 1.126 348 R CA 1.772 57.898 56.100 0.042 0.000 0.963 348 R CB -0.056 30.261 30.300 0.028 0.000 0.858 348 R HN 0.276 nan 8.270 nan 0.000 0.435 349 D N -0.540 119.861 120.400 0.001 0.000 2.123 349 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 349 D C 1.295 177.352 176.300 -0.405 0.000 0.976 349 D CA 1.316 55.181 54.000 -0.224 0.000 0.831 349 D CB 0.004 40.621 40.800 -0.305 0.000 0.974 349 D HN 0.260 nan 8.370 nan 0.000 0.469 350 F N -0.145 119.882 119.950 0.129 0.000 2.704 350 F HA 0.349 4.876 4.527 -0.001 0.000 0.304 350 F C 1.525 177.389 175.800 0.106 0.000 1.094 350 F CA 0.314 58.392 58.000 0.130 0.000 1.275 350 F CB 0.573 39.678 39.000 0.174 0.000 1.073 350 F HN -0.037 nan 8.300 nan 0.000 0.586 351 G N 0.620 109.548 108.800 0.214 0.000 2.728 351 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.294 351 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.294 351 G C 0.477 175.476 174.900 0.164 0.000 1.342 351 G CA -0.331 44.861 45.100 0.153 0.000 0.866 351 G HN 0.130 nan 8.290 nan 0.000 0.534 352 L N -0.221 121.077 121.223 0.125 0.000 2.217 352 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 352 L C 1.081 178.048 176.870 0.162 0.000 1.107 352 L CA 0.897 55.811 54.840 0.123 0.000 0.783 352 L CB -0.179 41.935 42.059 0.092 0.000 0.919 352 L HN 0.399 nan 8.230 nan 0.000 0.442 353 D N 0.762 121.256 120.400 0.156 0.000 2.845 353 D HA 0.137 4.777 4.640 -0.000 0.000 0.235 353 D C 0.245 176.748 176.300 0.339 0.000 1.158 353 D CA 0.381 54.489 54.000 0.180 0.000 0.990 353 D CB 0.486 41.273 40.800 -0.021 0.000 1.094 353 D HN 0.019 nan 8.370 nan 0.000 0.486 354 T N -0.512 114.297 114.554 0.425 0.000 2.812 354 T HA 0.630 4.980 4.350 -0.000 0.000 0.294 354 T C -1.253 173.532 174.700 0.142 0.000 1.159 354 T CA -0.593 61.713 62.100 0.343 0.000 1.008 354 T CB 1.262 70.258 68.868 0.212 0.000 1.289 354 T HN -0.007 nan 8.240 nan 0.000 0.514 355 I N 2.227 122.768 120.570 -0.049 0.000 2.465 355 I HA 0.435 4.604 4.170 -0.000 0.000 0.291 355 I C -0.470 175.533 176.117 -0.190 0.000 1.014 355 I CA -1.158 60.018 61.300 -0.207 0.000 1.093 355 I CB 2.234 40.031 38.000 -0.339 0.000 1.267 355 I HN 0.303 nan 8.210 nan 0.000 0.431 356 V N 5.338 125.140 119.914 -0.186 0.000 2.405 356 V HA 0.106 4.226 4.120 -0.000 0.000 0.264 356 V C 0.333 176.225 176.094 -0.338 0.000 1.048 356 V CA -0.316 61.857 62.300 -0.212 0.000 0.966 356 V CB 0.648 32.376 31.823 -0.159 0.000 1.015 356 V HN 0.604 nan 8.190 nan 0.000 0.477 357 N N 4.491 123.000 118.700 -0.320 0.000 2.521 357 N HA 0.303 5.042 4.740 -0.000 0.000 0.236 357 N C 0.845 176.118 175.510 -0.394 0.000 1.067 357 N CA 0.105 52.953 53.050 -0.338 0.000 0.939 357 N CB 1.659 39.983 38.487 -0.273 0.000 1.201 357 N HN 0.689 nan 8.380 nan 0.000 0.511 358 A N 2.796 125.262 122.820 -0.590 0.000 2.119 358 A HA 0.258 4.578 4.320 -0.000 0.000 0.217 358 A C 1.357 178.769 177.584 -0.287 0.000 1.153 358 A CA 0.927 52.566 52.037 -0.664 0.000 0.692 358 A CB -1.021 17.379 19.000 -1.000 0.000 0.799 358 A HN 0.912 nan 8.150 nan 0.000 0.458 359 G N -1.454 107.207 108.800 -0.232 0.000 2.578 359 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.275 359 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.275 359 G C 1.087 175.956 174.900 -0.051 0.000 1.271 359 G CA 0.093 45.127 45.100 -0.110 0.000 0.941 359 G HN 1.284 nan 8.290 nan 0.000 0.564 360 G N 0.016 108.843 108.800 0.046 0.000 2.744 360 G HA2 0.370 4.329 3.960 -0.000 0.000 0.211 360 G HA3 0.370 4.329 3.960 -0.000 0.000 0.211 360 G C 1.642 176.653 174.900 0.184 0.000 1.143 360 G CA 1.362 46.572 45.100 0.183 0.000 0.788 360 G HN 1.702 nan 8.290 nan 0.000 0.534 361 G N 0.968 109.808 108.800 0.065 0.000 2.471 361 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 361 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 361 G C 1.580 176.530 174.900 0.084 0.000 1.125 361 G CA 0.472 45.608 45.100 0.060 0.000 0.775 361 G HN 0.457 nan 8.290 nan 0.000 0.548 362 I N -0.060 120.507 120.570 -0.005 0.000 2.530 362 I HA -0.168 4.002 4.170 -0.000 0.000 0.257 362 I C 2.076 178.164 176.117 -0.049 0.000 1.179 362 I CA 0.928 62.214 61.300 -0.024 0.000 1.440 362 I CB -0.001 37.855 38.000 -0.241 0.000 1.087 362 I HN 0.233 nan 8.210 nan 0.000 0.440 363 H N -0.332 118.816 119.070 0.130 0.000 2.548 363 H HA 0.108 4.664 4.556 -0.000 0.000 0.268 363 H C 2.006 177.446 175.328 0.188 0.000 0.975 363 H CA 0.942 57.069 56.048 0.132 0.000 1.195 363 H CB -0.113 29.706 29.762 0.095 0.000 1.397 363 H HN 0.440 nan 8.280 nan 0.000 0.572 364 G N 0.093 109.094 108.800 0.334 0.000 2.920 364 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.208 364 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.208 364 G C 0.604 175.735 174.900 0.385 0.000 1.159 364 G CA -0.215 45.095 45.100 0.351 0.000 0.784 364 G HN 0.352 nan 8.290 nan 0.000 0.535 365 H N 1.193 120.452 119.070 0.315 0.000 2.764 365 H HA 0.121 4.677 4.556 -0.000 0.000 0.341 365 H C -1.406 173.974 175.328 0.086 0.000 1.072 365 H CA -1.439 54.746 56.048 0.229 0.000 1.444 365 H CB 1.827 31.722 29.762 0.222 0.000 1.458 365 H HN -0.091 nan 8.280 nan 0.000 0.572 366 P HA -0.174 nan 4.420 nan 0.000 0.218 366 P C 0.162 177.509 177.300 0.078 0.000 1.150 366 P CA 1.592 64.598 63.100 -0.156 0.000 0.841 366 P CB 0.290 31.798 31.700 -0.320 0.000 0.784 367 D N -1.320 119.295 120.400 0.359 0.000 2.615 367 D HA 0.273 4.913 4.640 -0.000 0.000 0.236 367 D C 1.176 177.596 176.300 0.200 0.000 1.233 367 D CA 0.402 54.555 54.000 0.255 0.000 0.829 367 D CB 0.148 41.083 40.800 0.225 0.000 1.024 367 D HN 0.079 nan 8.370 nan 0.000 0.490 368 G N 1.208 110.140 108.800 0.220 0.000 2.698 368 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.233 368 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.233 368 G C 1.094 176.062 174.900 0.113 0.000 1.352 368 G CA -0.139 45.062 45.100 0.169 0.000 0.879 368 G HN 0.303 nan 8.290 nan 0.000 0.567 369 A N -0.766 122.093 122.820 0.066 0.000 1.908 369 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 369 A C 2.624 180.154 177.584 -0.089 0.000 1.181 369 A CA 2.438 54.425 52.037 -0.084 0.000 0.627 369 A CB -0.439 18.482 19.000 -0.132 0.000 0.818 369 A HN 1.013 nan 8.150 nan 0.000 0.445 370 I N -0.451 120.086 120.570 -0.056 0.000 2.163 370 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 370 I C 2.690 178.733 176.117 -0.124 0.000 1.085 370 I CA 1.328 62.585 61.300 -0.072 0.000 1.347 370 I CB -0.698 37.278 38.000 -0.041 0.000 1.044 370 I HN 0.416 nan 8.210 nan 0.000 0.408 371 G N 0.283 108.979 108.800 -0.173 0.000 2.394 371 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 371 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 371 G C 1.716 176.144 174.900 -0.786 0.000 1.165 371 G CA 0.726 45.559 45.100 -0.445 0.000 0.784 371 G HN 0.493 nan 8.290 nan 0.000 0.535 372 G N 0.849 109.354 108.800 -0.493 0.000 2.418 372 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 372 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 372 G C 1.754 176.676 174.900 0.036 0.000 1.158 372 G CA 1.371 46.385 45.100 -0.144 0.000 0.771 372 G HN 0.565 nan 8.290 nan 0.000 0.545 373 G N 0.324 109.111 108.800 -0.021 0.000 2.408 373 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 373 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 373 G C 1.946 176.863 174.900 0.028 0.000 1.150 373 G CA 0.671 45.788 45.100 0.028 0.000 0.776 373 G HN 0.436 nan 8.290 nan 0.000 0.542 374 R N 0.439 120.905 120.500 -0.057 0.000 2.092 374 R HA 0.082 4.422 4.340 -0.000 0.000 0.231 374 R C 2.995 179.275 176.300 -0.034 0.000 1.119 374 R CA 1.003 57.074 56.100 -0.048 0.000 0.970 374 R CB -0.286 29.968 30.300 -0.078 0.000 0.864 374 R HN 0.345 nan 8.270 nan 0.000 0.440 375 A N 0.647 123.419 122.820 -0.079 0.000 1.877 375 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 375 A C 1.860 179.393 177.584 -0.086 0.000 1.186 375 A CA 1.219 53.210 52.037 -0.076 0.000 0.620 375 A CB -0.573 18.382 19.000 -0.074 0.000 0.822 375 A HN 0.190 nan 8.150 nan 0.000 0.443 376 F N -0.145 119.789 119.950 -0.027 0.000 2.146 376 F HA -0.102 4.425 4.527 -0.001 0.000 0.298 376 F C 2.620 178.397 175.800 -0.039 0.000 1.096 376 F CA 1.458 59.434 58.000 -0.040 0.000 1.275 376 F CB -0.176 38.780 39.000 -0.073 0.000 1.008 376 F HN 0.055 nan 8.300 nan 0.000 0.480 377 R N 0.194 120.782 120.500 0.147 0.000 2.096 377 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 377 R C 2.321 178.649 176.300 0.046 0.000 1.127 377 R CA 1.227 57.370 56.100 0.072 0.000 0.968 377 R CB -1.403 28.918 30.300 0.036 0.000 0.861 377 R HN 0.309 nan 8.270 nan 0.000 0.440 378 A N 0.923 123.761 122.820 0.029 0.000 1.930 378 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 378 A C 2.356 179.949 177.584 0.015 0.000 1.175 378 A CA 1.644 53.690 52.037 0.015 0.000 0.627 378 A CB -0.467 18.535 19.000 0.003 0.000 0.815 378 A HN 0.329 nan 8.150 nan 0.000 0.443 379 A N 0.011 122.838 122.820 0.011 0.000 1.898 379 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 379 A C 2.109 179.709 177.584 0.027 0.000 1.181 379 A CA 1.484 53.523 52.037 0.004 0.000 0.620 379 A CB -0.558 18.424 19.000 -0.030 0.000 0.819 379 A HN 0.492 nan 8.150 nan 0.000 0.442 380 I N -0.209 120.391 120.570 0.051 0.000 2.202 380 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 380 I C 1.871 178.011 176.117 0.038 0.000 1.091 380 I CA 1.397 62.728 61.300 0.051 0.000 1.368 380 I CB -0.485 37.550 38.000 0.058 0.000 1.058 380 I HN 0.229 nan 8.210 nan 0.000 0.410 381 D N 1.228 121.648 120.400 0.034 0.000 2.123 381 D HA -0.174 4.465 4.640 -0.000 0.000 0.196 381 D C 2.263 178.577 176.300 0.023 0.000 0.992 381 D CA 1.635 55.652 54.000 0.028 0.000 0.833 381 D CB -0.230 40.584 40.800 0.023 0.000 0.954 381 D HN 0.346 nan 8.370 nan 0.000 0.455 382 A N 0.600 123.431 122.820 0.019 0.000 1.908 382 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 382 A C 2.559 180.153 177.584 0.017 0.000 1.181 382 A CA 1.512 53.558 52.037 0.015 0.000 0.627 382 A CB -0.802 18.204 19.000 0.010 0.000 0.818 382 A HN 0.165 nan 8.150 nan 0.000 0.445 383 V N -0.506 119.421 119.914 0.020 0.000 2.343 383 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 383 V C 2.434 178.544 176.094 0.027 0.000 1.051 383 V CA 1.825 64.139 62.300 0.023 0.000 1.036 383 V CB -0.717 31.122 31.823 0.027 0.000 0.654 383 V HN 0.472 nan 8.190 nan 0.000 0.451 384 L N 0.307 121.548 121.223 0.030 0.000 2.217 384 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 384 L C 2.301 179.187 176.870 0.027 0.000 1.107 384 L CA 1.859 56.719 54.840 0.032 0.000 0.783 384 L CB -0.968 41.114 42.059 0.037 0.000 0.919 384 L HN 0.294 nan 8.230 nan 0.000 0.442 385 A N -0.822 122.012 122.820 0.023 0.000 2.251 385 A HA 0.423 4.743 4.320 -0.000 0.000 0.209 385 A C 1.515 179.109 177.584 0.017 0.000 1.187 385 A CA 0.495 52.543 52.037 0.019 0.000 0.823 385 A CB -0.784 18.226 19.000 0.017 0.000 0.846 385 A HN 0.425 nan 8.150 nan 0.000 0.486 386 G N 0.101 108.911 108.800 0.017 0.000 2.351 386 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.297 386 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.297 386 G C -0.117 174.791 174.900 0.012 0.000 1.054 386 G CA 0.404 45.513 45.100 0.015 0.000 1.123 386 G HN 0.720 nan 8.290 nan 0.000 0.512 387 R N -0.304 120.203 120.500 0.012 0.000 2.725 387 R HA 0.515 4.855 4.340 -0.000 0.000 0.277 387 R C -2.867 173.438 176.300 0.009 0.000 0.987 387 R CA -2.052 54.054 56.100 0.010 0.000 0.901 387 R CB 1.970 32.275 30.300 0.009 0.000 1.207 387 R HN 0.097 nan 8.270 nan 0.000 0.463 388 P HA 0.101 nan 4.420 nan 0.000 0.271 388 P C 0.651 177.954 177.300 0.005 0.000 1.218 388 P CA -0.259 62.845 63.100 0.006 0.000 0.780 388 P CB 0.680 32.383 31.700 0.006 0.000 0.901 389 L N 1.813 123.038 121.223 0.004 0.000 2.081 389 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 389 L C 2.304 179.176 176.870 0.004 0.000 1.080 389 L CA 1.741 56.582 54.840 0.002 0.000 0.754 389 L CB -0.489 41.569 42.059 -0.000 0.000 0.893 389 L HN 0.442 nan 8.230 nan 0.000 0.433 390 R N -0.297 120.206 120.500 0.005 0.000 2.120 390 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 390 R C 2.427 178.729 176.300 0.003 0.000 1.123 390 R CA 1.147 57.250 56.100 0.004 0.000 0.975 390 R CB -0.407 29.896 30.300 0.004 0.000 0.866 390 R HN 0.362 nan 8.270 nan 0.000 0.446 391 A N 1.289 124.112 122.820 0.004 0.000 1.873 391 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 391 A C 2.356 179.942 177.584 0.004 0.000 1.186 391 A CA 1.628 53.667 52.037 0.003 0.000 0.616 391 A CB -0.587 18.416 19.000 0.004 0.000 0.823 391 A HN 0.374 nan 8.150 nan 0.000 0.442 392 A N -0.314 122.508 122.820 0.004 0.000 1.929 392 A HA 0.263 4.583 4.320 -0.000 0.000 0.216 392 A C 2.450 180.037 177.584 0.004 0.000 1.176 392 A CA 1.742 53.782 52.037 0.005 0.000 0.628 392 A CB -0.887 18.116 19.000 0.005 0.000 0.816 392 A HN 1.011 nan 8.150 nan 0.000 0.444 393 A N 0.048 122.870 122.820 0.004 0.000 1.933 393 A HA 0.160 4.479 4.320 -0.000 0.000 0.218 393 A C 2.378 179.963 177.584 0.002 0.000 1.175 393 A CA 1.825 53.864 52.037 0.004 0.000 0.628 393 A CB -0.891 18.112 19.000 0.004 0.000 0.814 393 A HN 1.089 nan 8.150 nan 0.000 0.444 394 A N -0.451 122.369 122.820 0.001 0.000 2.178 394 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 394 A C 1.547 179.131 177.584 0.000 0.000 1.157 394 A CA 1.463 53.499 52.037 -0.001 0.000 0.689 394 A CB -0.326 18.673 19.000 -0.001 0.000 0.787 394 A HN 0.673 nan 8.150 nan 0.000 0.465 395 E N -1.087 119.114 120.200 0.002 0.000 2.601 395 E HA 0.105 4.455 4.350 -0.000 0.000 0.219 395 E C -0.349 176.253 176.600 0.003 0.000 0.964 395 E CA -0.280 56.121 56.400 0.002 0.000 1.050 395 E CB 0.360 30.062 29.700 0.002 0.000 1.068 395 E HN 0.425 nan 8.360 nan 0.000 0.496 396 N N 1.153 119.856 118.700 0.005 0.000 2.558 396 N HA 0.047 4.787 4.740 -0.000 0.000 0.285 396 N C -0.026 175.492 175.510 0.014 0.000 1.112 396 N CA 0.117 53.172 53.050 0.007 0.000 0.857 396 N CB 1.524 40.014 38.487 0.006 0.000 1.376 396 N HN -0.164 nan 8.380 nan 0.000 0.526 397 E N 2.276 122.486 120.200 0.016 0.000 2.023 397 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 397 E C 1.880 178.517 176.600 0.062 0.000 1.003 397 E CA 2.169 58.585 56.400 0.027 0.000 0.809 397 E CB -0.161 29.555 29.700 0.025 0.000 0.755 397 E HN 0.713 nan 8.360 nan 0.000 0.449 398 A N 0.789 123.650 122.820 0.069 0.000 1.903 398 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 398 A C 2.224 179.917 177.584 0.181 0.000 1.191 398 A CA 1.864 53.973 52.037 0.121 0.000 0.638 398 A CB -0.834 18.139 19.000 -0.044 0.000 0.823 398 A HN 0.273 nan 8.150 nan 0.000 0.451 399 L N -0.800 120.465 121.223 0.070 0.000 2.093 399 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 399 L C 2.458 179.356 176.870 0.046 0.000 1.085 399 L CA 2.655 57.524 54.840 0.048 0.000 0.755 399 L CB -0.753 41.312 42.059 0.011 0.000 0.904 399 L HN 0.498 nan 8.230 nan 0.000 0.435 400 Q N 0.044 119.863 119.800 0.031 0.000 2.050 400 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 400 Q C 2.190 178.174 176.000 -0.026 0.000 0.980 400 Q CA 2.005 57.809 55.803 0.002 0.000 0.840 400 Q CB -0.135 28.600 28.738 -0.004 0.000 0.898 400 Q HN 0.496 nan 8.270 nan 0.000 0.424 401 K N -0.455 119.931 120.400 -0.023 0.000 2.063 401 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 401 K C 2.065 178.526 176.600 -0.231 0.000 1.048 401 K CA 1.206 57.410 56.287 -0.139 0.000 0.928 401 K CB -0.318 32.075 32.500 -0.178 0.000 0.713 401 K HN 0.292 nan 8.250 nan 0.000 0.442 402 A N 1.629 124.408 122.820 -0.069 0.000 1.902 402 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 402 A C 2.071 179.666 177.584 0.019 0.000 1.181 402 A CA 1.258 53.299 52.037 0.007 0.000 0.623 402 A CB -0.443 18.752 19.000 0.325 0.000 0.818 402 A HN 0.101 nan 8.150 nan 0.000 0.443 403 I N 0.794 121.382 120.570 0.029 0.000 2.226 403 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 403 I C 1.680 177.775 176.117 -0.036 0.000 1.100 403 I CA 1.501 62.823 61.300 0.035 0.000 1.374 403 I CB -1.584 36.429 38.000 0.021 0.000 1.057 403 I HN 0.318 nan 8.210 nan 0.000 0.413 404 D N 0.235 120.575 120.400 -0.100 0.000 2.178 404 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 404 D C 2.294 178.470 176.300 -0.208 0.000 0.980 404 D CA 0.902 54.824 54.000 -0.129 0.000 0.842 404 D CB -0.075 40.644 40.800 -0.135 0.000 0.948 404 D HN 0.356 nan 8.370 nan 0.000 0.472 405 R N -0.421 119.862 120.500 -0.362 0.000 2.055 405 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 405 R C 1.685 177.654 176.300 -0.552 0.000 1.135 405 R CA 0.926 56.653 56.100 -0.622 0.000 0.959 405 R CB 0.098 29.689 30.300 -1.181 0.000 0.854 405 R HN 0.190 nan 8.270 nan 0.000 0.431 406 W N 0.235 121.466 121.300 -0.116 0.000 3.058 406 W HA 0.359 5.019 4.660 -0.001 0.000 0.306 406 W C 0.705 177.138 176.519 -0.144 0.000 1.188 406 W CA 0.667 57.887 57.345 -0.209 0.000 1.651 406 W CB -0.143 29.103 29.460 -0.357 0.000 1.051 406 W HN 0.420 nan 8.180 nan 0.000 0.592 407 G N 0.862 109.735 108.800 0.122 0.000 2.725 407 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 407 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 407 G C -1.260 173.742 174.900 0.171 0.000 1.357 407 G CA -0.545 44.619 45.100 0.106 0.000 0.866 407 G HN -0.056 nan 8.290 nan 0.000 0.548 408 V N -0.222 119.762 119.914 0.117 0.000 2.588 408 V HA 0.572 4.692 4.120 -0.000 0.000 0.304 408 V C 0.551 176.692 176.094 0.080 0.000 1.042 408 V CA -0.737 61.619 62.300 0.094 0.000 0.877 408 V CB 1.720 33.571 31.823 0.047 0.000 0.996 408 V HN 0.967 nan 8.190 nan 0.000 0.425 409 V N 3.215 123.163 119.914 0.057 0.000 2.461 409 V HA 0.285 4.405 4.120 -0.000 0.000 0.275 409 V C 0.357 176.458 176.094 0.013 0.000 1.047 409 V CA -0.482 61.840 62.300 0.035 0.000 0.955 409 V CB 1.388 33.206 31.823 -0.008 0.000 0.988 409 V HN 0.960 nan 8.190 nan 0.000 0.471 410 E N 3.666 123.881 120.200 0.025 0.000 2.415 410 E HA 0.070 4.420 4.350 -0.000 0.000 0.263 410 E C 0.615 177.224 176.600 0.016 0.000 0.995 410 E CA 0.303 56.715 56.400 0.020 0.000 0.915 410 E CB 1.263 30.977 29.700 0.024 0.000 0.951 410 E HN 0.544 nan 8.360 nan 0.000 0.449 411 V N 1.263 121.184 119.914 0.011 0.000 3.643 411 V HA 0.244 4.363 4.120 -0.000 0.000 0.280 411 V C 0.726 176.828 176.094 0.014 0.000 1.351 411 V CA 0.141 62.448 62.300 0.012 0.000 1.073 411 V CB -0.481 31.346 31.823 0.007 0.000 0.863 411 V HN 0.658 nan 8.190 nan 0.000 0.436 412 E N 1.788 121.997 120.200 0.014 0.000 2.366 412 E HA 0.475 4.825 4.350 -0.000 0.000 0.266 412 E C 0.590 177.198 176.600 0.013 0.000 1.015 412 E CA 0.333 56.740 56.400 0.012 0.000 0.906 412 E CB 1.063 30.770 29.700 0.011 0.000 0.979 412 E HN 0.686 nan 8.360 nan 0.000 0.443 413 A N 0.000 122.826 122.820 0.011 0.000 2.254 413 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 413 A CA 0.000 52.043 52.037 0.009 0.000 0.836 413 A CB 0.000 19.003 19.000 0.006 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486