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 1k7w_1_B DATA FIRST_RESID 18 DATA SEQUENCE STDPIMEKLN SSIAYDQRLS EVDIQGSMAY AKALEKAGIL TKTELEKILS DATA SEQUENCE GLEKISEEWS KGVFVVKQSD EDIHTANERR LKELIGDIAG KLHTGRSRND DATA SEQUENCE QVVTDLKLFM KNSLSIISTH LLQLIKTLVE RAAIEIDVIL PGYTHLQKAQ DATA SEQUENCE PIRWSQFLLS HAVALTRDSE RLGEVKKRIN VLPLGSGALA GNPLDIDREM DATA SEQUENCE LRSELEFASI SLNSMDAISE RDFVVEFLSF ATLLMIHLSK MAEDLIIYST DATA SEQUENCE SEFGFLTLSD AFSTGASLMP QKKNPDSLEL IRSKAGRVFG RLASILMVLK DATA SEQUENCE GLPSTYNKDL QEDKEAVFDV VDTLTAVLQV ATGVISTLQI SKENMEKALT DATA SEQUENCE PEMLATDLAL YLVRKGVPFR QAHTASGKAV HLAETKGITI NKLSLEDLKS DATA SEQUENCE ISPQFSSDVS QVFNFVNSVE QYTALGGTAK SSVTTQIEQL RELMKKQK 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 18 S HA 0.000 nan 4.470 nan 0.000 0.327 18 S C 0.000 174.606 174.600 0.010 0.000 1.055 18 S CA 0.000 58.205 58.200 0.009 0.000 1.107 18 S CB 0.000 63.205 63.200 0.009 0.000 0.593 19 T N 1.261 115.821 114.554 0.010 0.000 2.933 19 T HA 0.535 4.886 4.350 0.002 0.000 0.305 19 T C -2.627 172.079 174.700 0.011 0.000 1.092 19 T CA -0.193 61.914 62.100 0.011 0.000 1.008 19 T CB 2.035 70.909 68.868 0.011 0.000 1.102 19 T HN 0.301 nan 8.240 nan 0.000 0.469 20 D N 4.434 124.841 120.400 0.013 0.000 2.492 20 D HA 0.328 4.969 4.640 0.002 0.000 0.248 20 D C -1.611 174.697 176.300 0.014 0.000 1.101 20 D CA -2.253 51.755 54.000 0.012 0.000 0.840 20 D CB 2.638 43.446 40.800 0.012 0.000 1.209 20 D HN 0.283 nan 8.370 nan 0.000 0.524 21 P HA -0.145 nan 4.420 nan 0.000 0.216 21 P C 1.821 179.131 177.300 0.017 0.000 1.153 21 P CA 0.866 63.975 63.100 0.014 0.000 0.858 21 P CB 0.619 32.326 31.700 0.013 0.000 0.789 22 I N -1.256 119.324 120.570 0.016 0.000 2.252 22 I HA -0.227 3.944 4.170 0.002 0.000 0.245 22 I C 2.763 178.892 176.117 0.021 0.000 1.102 22 I CA 1.367 62.678 61.300 0.018 0.000 1.385 22 I CB -0.662 37.347 38.000 0.015 0.000 1.064 22 I HN -0.085 nan 8.210 nan 0.000 0.414 23 M N 0.978 120.590 119.600 0.020 0.000 2.086 23 M HA -0.201 4.280 4.480 0.002 0.000 0.261 23 M C 2.124 178.440 176.300 0.026 0.000 1.067 23 M CA 1.873 57.186 55.300 0.022 0.000 1.116 23 M CB -0.484 32.127 32.600 0.020 0.000 1.348 23 M HN 0.040 nan 8.290 nan 0.000 0.407 24 E N 0.296 120.510 120.200 0.024 0.000 2.058 24 E HA -0.220 4.131 4.350 0.002 0.000 0.194 24 E C 2.092 178.709 176.600 0.028 0.000 0.997 24 E CA 1.142 57.556 56.400 0.024 0.000 0.801 24 E CB -0.618 29.093 29.700 0.020 0.000 0.746 24 E HN 0.408 nan 8.360 nan 0.000 0.450 25 K N 1.005 121.423 120.400 0.029 0.000 2.057 25 K HA -0.118 4.203 4.320 0.002 0.000 0.207 25 K C 2.215 178.845 176.600 0.050 0.000 1.049 25 K CA 0.601 56.910 56.287 0.036 0.000 0.931 25 K CB -0.610 31.910 32.500 0.034 0.000 0.714 25 K HN 0.106 nan 8.250 nan 0.000 0.440 26 L N 1.666 122.918 121.223 0.047 0.000 2.093 26 L HA -0.121 4.220 4.340 0.002 0.000 0.208 26 L C 1.923 178.835 176.870 0.069 0.000 1.085 26 L CA 1.709 56.583 54.840 0.056 0.000 0.755 26 L CB -0.673 41.410 42.059 0.039 0.000 0.904 26 L HN 0.194 nan 8.230 nan 0.000 0.435 27 N N -0.683 118.050 118.700 0.055 0.000 2.300 27 N HA -0.058 4.683 4.740 0.002 0.000 0.179 27 N C 0.627 176.171 175.510 0.055 0.000 1.016 27 N CA 0.787 53.872 53.050 0.059 0.000 0.876 27 N CB -0.136 38.380 38.487 0.048 0.000 0.979 27 N HN 0.488 nan 8.380 nan 0.000 0.432 28 S N -0.684 115.036 115.700 0.033 0.000 2.564 28 S HA 0.165 4.636 4.470 0.002 0.000 0.278 28 S C 0.983 175.542 174.600 -0.068 0.000 1.333 28 S CA -0.032 58.161 58.200 -0.012 0.000 1.048 28 S CB 1.106 64.295 63.200 -0.019 0.000 0.900 28 S HN 0.272 nan 8.310 nan 0.000 0.505 29 S N 2.360 117.936 115.700 -0.207 0.000 2.559 29 S HA 0.128 4.599 4.470 0.002 0.000 0.226 29 S C 1.246 175.360 174.600 -0.809 0.000 1.000 29 S CA -0.190 57.629 58.200 -0.635 0.000 0.948 29 S CB -0.497 62.463 63.200 -0.400 0.000 0.870 29 S HN 0.649 nan 8.310 nan 0.000 0.497 30 I N 3.322 123.660 120.570 -0.388 0.000 2.248 30 I HA -0.150 4.021 4.170 0.002 0.000 0.248 30 I C 2.499 178.473 176.117 -0.237 0.000 1.107 30 I CA 1.132 62.272 61.300 -0.267 0.000 1.373 30 I CB -0.837 37.099 38.000 -0.107 0.000 1.055 30 I HN 0.386 nan 8.210 nan 0.000 0.418 31 A N -0.037 122.658 122.820 -0.209 0.000 1.917 31 A HA -0.261 4.060 4.320 0.002 0.000 0.219 31 A C 2.146 179.734 177.584 0.006 0.000 1.182 31 A CA 2.471 54.484 52.037 -0.040 0.000 0.633 31 A CB -1.129 17.921 19.000 0.083 0.000 0.819 31 A HN 0.717 nan 8.150 nan 0.000 0.448 32 Y N -1.157 119.159 120.300 0.028 0.000 2.558 32 Y HA 0.217 4.768 4.550 0.001 0.000 0.273 32 Y C 1.457 177.408 175.900 0.084 0.000 1.100 32 Y CA 0.097 58.237 58.100 0.068 0.000 1.276 32 Y CB -0.486 38.058 38.460 0.141 0.000 1.196 32 Y HN 0.325 nan 8.280 nan 0.000 0.527 33 D N 1.596 121.858 120.400 -0.230 0.000 2.371 33 D HA -0.199 4.442 4.640 0.002 0.000 0.221 33 D C 1.390 177.542 176.300 -0.247 0.000 0.986 33 D CA 0.997 54.939 54.000 -0.096 0.000 0.899 33 D CB -0.515 40.161 40.800 -0.207 0.000 0.902 33 D HN 0.753 nan 8.370 nan 0.000 0.530 34 Q N 0.202 119.823 119.800 -0.297 0.000 2.439 34 Q HA -0.137 4.204 4.340 0.002 0.000 0.211 34 Q C 2.057 177.708 176.000 -0.581 0.000 0.978 34 Q CA 0.617 56.137 55.803 -0.471 0.000 0.897 34 Q CB -0.443 28.107 28.738 -0.313 0.000 0.956 34 Q HN 0.260 nan 8.270 nan 0.000 0.483 35 R N 1.136 121.367 120.500 -0.449 0.000 2.193 35 R HA -0.015 4.326 4.340 0.002 0.000 0.229 35 R C 1.307 177.282 176.300 -0.541 0.000 1.110 35 R CA 0.732 56.493 56.100 -0.564 0.000 0.988 35 R CB -0.035 29.705 30.300 -0.933 0.000 0.871 35 R HN 0.349 nan 8.270 nan 0.000 0.458 36 L N 1.278 122.241 121.223 -0.434 0.000 2.645 36 L HA 0.071 4.412 4.340 0.002 0.000 0.234 36 L C 1.889 178.530 176.870 -0.381 0.000 1.165 36 L CA 0.067 54.727 54.840 -0.301 0.000 0.944 36 L CB -0.003 41.971 42.059 -0.141 0.000 1.149 36 L HN 0.266 nan 8.230 nan 0.000 0.446 37 S N 0.004 115.309 115.700 -0.658 0.000 2.365 37 S HA -0.280 4.191 4.470 0.002 0.000 0.225 37 S C 1.836 176.109 174.600 -0.544 0.000 1.039 37 S CA 1.605 59.222 58.200 -0.971 0.000 1.033 37 S CB -0.163 61.809 63.200 -2.046 0.000 0.887 37 S HN 0.467 nan 8.310 nan 0.000 0.447 38 E N 1.735 121.724 120.200 -0.352 0.000 2.028 38 E HA -0.094 4.257 4.350 0.002 0.000 0.191 38 E C 2.166 178.728 176.600 -0.062 0.000 0.988 38 E CA 1.706 58.021 56.400 -0.141 0.000 0.799 38 E CB -0.694 28.963 29.700 -0.072 0.000 0.755 38 E HN 0.572 nan 8.360 nan 0.000 0.447 39 V N -0.619 119.272 119.914 -0.037 0.000 2.759 39 V HA -0.145 3.976 4.120 0.002 0.000 0.256 39 V C 1.987 178.096 176.094 0.026 0.000 1.080 39 V CA 2.164 64.477 62.300 0.023 0.000 1.101 39 V CB -0.745 31.128 31.823 0.084 0.000 0.698 39 V HN 0.160 nan 8.190 nan 0.000 0.477 40 D N 0.401 120.789 120.400 -0.021 0.000 2.117 40 D HA -0.134 4.507 4.640 0.002 0.000 0.198 40 D C 1.996 178.315 176.300 0.032 0.000 0.982 40 D CA 1.499 55.508 54.000 0.015 0.000 0.828 40 D CB -0.081 40.695 40.800 -0.040 0.000 0.967 40 D HN 0.349 nan 8.370 nan 0.000 0.464 41 I N 0.749 121.324 120.570 0.010 0.000 2.179 41 I HA -0.194 3.977 4.170 0.002 0.000 0.242 41 I C 2.268 178.423 176.117 0.063 0.000 1.088 41 I CA 1.111 62.442 61.300 0.051 0.000 1.357 41 I CB -1.161 36.876 38.000 0.062 0.000 1.051 41 I HN 0.241 nan 8.210 nan 0.000 0.409 42 Q N 0.564 120.395 119.800 0.051 0.000 2.096 42 Q HA -0.145 4.196 4.340 0.002 0.000 0.204 42 Q C 2.338 178.388 176.000 0.084 0.000 0.982 42 Q CA 1.820 57.658 55.803 0.059 0.000 0.850 42 Q CB -0.868 27.896 28.738 0.043 0.000 0.901 42 Q HN 0.581 nan 8.270 nan 0.000 0.422 43 G N 0.084 108.938 108.800 0.089 0.000 2.442 43 G HA2 -0.240 3.721 3.960 0.002 0.000 0.219 43 G HA3 -0.240 3.721 3.960 0.002 0.000 0.219 43 G C 1.684 176.660 174.900 0.126 0.000 1.141 43 G CA 1.106 46.270 45.100 0.106 0.000 0.763 43 G HN 0.323 nan 8.290 nan 0.000 0.554 44 S N 0.174 115.943 115.700 0.114 0.000 2.387 44 S HA -0.003 4.468 4.470 0.002 0.000 0.226 44 S C 2.424 177.120 174.600 0.161 0.000 1.026 44 S CA 1.116 59.404 58.200 0.146 0.000 0.972 44 S CB -0.208 63.062 63.200 0.116 0.000 0.814 44 S HN 0.366 nan 8.310 nan 0.000 0.477 45 M N 1.101 120.772 119.600 0.118 0.000 2.086 45 M HA -0.096 4.385 4.480 0.002 0.000 0.261 45 M C 2.552 178.908 176.300 0.093 0.000 1.067 45 M CA 1.562 56.919 55.300 0.094 0.000 1.116 45 M CB -0.644 31.999 32.600 0.072 0.000 1.348 45 M HN 0.382 nan 8.290 nan 0.000 0.407 46 A N -0.525 122.360 122.820 0.108 0.000 1.902 46 A HA -0.217 4.104 4.320 0.002 0.000 0.217 46 A C 2.025 179.681 177.584 0.119 0.000 1.181 46 A CA 1.480 53.578 52.037 0.102 0.000 0.623 46 A CB -1.055 18.017 19.000 0.121 0.000 0.818 46 A HN 0.540 nan 8.150 nan 0.000 0.443 47 Y N 0.513 120.835 120.300 0.037 0.000 2.145 47 Y HA -0.072 4.479 4.550 0.001 0.000 0.286 47 Y C 2.746 178.662 175.900 0.027 0.000 1.145 47 Y CA 1.040 59.158 58.100 0.029 0.000 1.148 47 Y CB -0.671 37.810 38.460 0.035 0.000 0.981 47 Y HN 0.319 nan 8.280 nan 0.000 0.507 48 A N 0.406 123.271 122.820 0.076 0.000 1.892 48 A HA -0.275 4.046 4.320 0.002 0.000 0.218 48 A C 2.249 179.795 177.584 -0.064 0.000 1.188 48 A CA 2.314 54.353 52.037 0.003 0.000 0.631 48 A CB -0.643 18.393 19.000 0.060 0.000 0.822 48 A HN 0.530 nan 8.150 nan 0.000 0.447 49 K N -0.496 119.883 120.400 -0.035 0.000 2.026 49 K HA -0.079 4.242 4.320 0.002 0.000 0.208 49 K C 2.350 178.896 176.600 -0.089 0.000 1.048 49 K CA 1.158 57.419 56.287 -0.042 0.000 0.929 49 K CB -0.385 32.108 32.500 -0.012 0.000 0.713 49 K HN 0.453 nan 8.250 nan 0.000 0.439 50 A N 1.647 124.385 122.820 -0.136 0.000 1.908 50 A HA -0.157 4.164 4.320 0.002 0.000 0.218 50 A C 2.154 179.601 177.584 -0.229 0.000 1.181 50 A CA 1.318 53.248 52.037 -0.177 0.000 0.627 50 A CB -0.686 18.180 19.000 -0.224 0.000 0.818 50 A HN 0.169 nan 8.150 nan 0.000 0.445 51 L N -0.779 120.250 121.223 -0.324 0.000 2.046 51 L HA -0.191 4.150 4.340 0.002 0.000 0.208 51 L C 2.795 179.586 176.870 -0.132 0.000 1.077 51 L CA 1.642 56.326 54.840 -0.260 0.000 0.747 51 L CB -0.501 41.403 42.059 -0.258 0.000 0.896 51 L HN 0.490 nan 8.230 nan 0.000 0.432 52 E N 1.007 121.148 120.200 -0.099 0.000 2.085 52 E HA -0.290 4.061 4.350 0.002 0.000 0.194 52 E C 2.112 178.679 176.600 -0.054 0.000 0.994 52 E CA 1.526 57.891 56.400 -0.058 0.000 0.801 52 E CB 0.018 29.694 29.700 -0.040 0.000 0.743 52 E HN 0.365 nan 8.360 nan 0.000 0.453 53 K N -0.085 120.278 120.400 -0.062 0.000 2.147 53 K HA -0.073 4.248 4.320 0.002 0.000 0.205 53 K C 1.869 178.438 176.600 -0.051 0.000 1.049 53 K CA 1.128 57.386 56.287 -0.049 0.000 0.936 53 K CB -0.125 32.345 32.500 -0.049 0.000 0.722 53 K HN 0.089 nan 8.250 nan 0.000 0.446 54 A N -0.014 122.765 122.820 -0.069 0.000 2.167 54 A HA 0.135 4.456 4.320 0.002 0.000 0.214 54 A C 1.487 179.044 177.584 -0.046 0.000 1.151 54 A CA 1.125 53.126 52.037 -0.060 0.000 0.735 54 A CB -0.384 18.567 19.000 -0.081 0.000 0.802 54 A HN 0.587 nan 8.150 nan 0.000 0.467 55 G N -0.966 107.807 108.800 -0.044 0.000 2.175 55 G HA2 -0.229 3.732 3.960 0.002 0.000 0.244 55 G HA3 -0.229 3.732 3.960 0.002 0.000 0.244 55 G C 0.751 175.634 174.900 -0.029 0.000 0.982 55 G CA 0.320 45.402 45.100 -0.031 0.000 0.641 55 G HN 0.308 nan 8.290 nan 0.000 0.527 56 I N 0.276 120.822 120.570 -0.039 0.000 2.546 56 I HA 0.197 4.368 4.170 0.002 0.000 0.255 56 I C 1.366 177.471 176.117 -0.020 0.000 1.163 56 I CA 1.249 62.531 61.300 -0.029 0.000 1.457 56 I CB -0.605 37.370 38.000 -0.041 0.000 1.092 56 I HN 0.226 nan 8.210 nan 0.000 0.434 57 L N 0.145 121.352 121.223 -0.027 0.000 2.381 57 L HA 0.309 4.650 4.340 0.002 0.000 0.268 57 L C 0.405 177.266 176.870 -0.015 0.000 0.997 57 L CA -0.592 54.238 54.840 -0.016 0.000 0.818 57 L CB 2.153 44.201 42.059 -0.018 0.000 1.310 57 L HN 0.027 nan 8.230 nan 0.000 0.416 58 T N -2.572 111.977 114.554 -0.007 0.000 2.874 58 T HA 0.174 4.525 4.350 0.002 0.000 0.281 58 T C 0.908 175.605 174.700 -0.005 0.000 0.994 58 T CA -0.641 61.455 62.100 -0.006 0.000 1.015 58 T CB 1.648 70.514 68.868 -0.003 0.000 1.028 58 T HN 0.686 nan 8.240 nan 0.000 0.523 59 K N 0.329 120.726 120.400 -0.005 0.000 2.113 59 K HA -0.161 4.160 4.320 0.002 0.000 0.208 59 K C 2.041 178.642 176.600 0.001 0.000 1.047 59 K CA 1.844 58.129 56.287 -0.004 0.000 0.928 59 K CB -0.797 31.701 32.500 -0.003 0.000 0.716 59 K HN 0.739 nan 8.250 nan 0.000 0.446 60 T N 1.109 115.664 114.554 0.002 0.000 2.746 60 T HA -0.108 4.243 4.350 0.002 0.000 0.267 60 T C 1.456 176.160 174.700 0.007 0.000 1.039 60 T CA 1.474 63.577 62.100 0.004 0.000 1.142 60 T CB -0.106 68.764 68.868 0.004 0.000 0.866 60 T HN 0.413 nan 8.240 nan 0.000 0.444 61 E N 0.526 120.730 120.200 0.007 0.000 2.110 61 E HA -0.091 4.260 4.350 0.002 0.000 0.193 61 E C 2.135 178.744 176.600 0.014 0.000 0.988 61 E CA 0.722 57.129 56.400 0.011 0.000 0.804 61 E CB -0.232 29.474 29.700 0.010 0.000 0.745 61 E HN 0.247 nan 8.360 nan 0.000 0.458 62 L N 1.678 122.906 121.223 0.009 0.000 2.046 62 L HA -0.194 4.147 4.340 0.002 0.000 0.208 62 L C 1.829 178.709 176.870 0.016 0.000 1.077 62 L CA 1.833 56.679 54.840 0.011 0.000 0.747 62 L CB -0.171 41.889 42.059 0.001 0.000 0.896 62 L HN 0.025 nan 8.230 nan 0.000 0.432 63 E N -0.488 119.720 120.200 0.013 0.000 2.153 63 E HA -0.228 4.123 4.350 0.002 0.000 0.194 63 E C 2.064 178.675 176.600 0.019 0.000 0.988 63 E CA 1.304 57.713 56.400 0.015 0.000 0.811 63 E CB -0.132 29.574 29.700 0.011 0.000 0.746 63 E HN 0.553 nan 8.360 nan 0.000 0.466 64 K N 0.487 120.899 120.400 0.019 0.000 2.103 64 K HA -0.018 4.303 4.320 0.002 0.000 0.204 64 K C 2.162 178.779 176.600 0.029 0.000 1.052 64 K CA 0.754 57.054 56.287 0.021 0.000 0.945 64 K CB 0.042 32.553 32.500 0.019 0.000 0.722 64 K HN 0.115 nan 8.250 nan 0.000 0.443 65 I N 1.277 121.867 120.570 0.033 0.000 2.202 65 I HA -0.259 3.912 4.170 0.002 0.000 0.242 65 I C 2.185 178.332 176.117 0.050 0.000 1.091 65 I CA 1.144 62.471 61.300 0.045 0.000 1.368 65 I CB -0.247 37.783 38.000 0.050 0.000 1.058 65 I HN 0.106 nan 8.210 nan 0.000 0.410 66 L N -0.168 121.081 121.223 0.043 0.000 2.083 66 L HA -0.227 4.114 4.340 0.002 0.000 0.209 66 L C 2.722 179.619 176.870 0.045 0.000 1.083 66 L CA 1.348 56.215 54.840 0.045 0.000 0.752 66 L CB -0.631 41.450 42.059 0.036 0.000 0.899 66 L HN 0.241 nan 8.230 nan 0.000 0.433 67 S N -0.037 115.686 115.700 0.037 0.000 2.402 67 S HA -0.110 4.361 4.470 0.002 0.000 0.229 67 S C 1.948 176.573 174.600 0.041 0.000 1.021 67 S CA 1.307 59.528 58.200 0.035 0.000 0.974 67 S CB -0.272 62.944 63.200 0.026 0.000 0.800 67 S HN 0.530 nan 8.310 nan 0.000 0.484 68 G N 1.198 110.026 108.800 0.045 0.000 2.403 68 G HA2 -0.004 3.957 3.960 0.002 0.000 0.216 68 G HA3 -0.004 3.957 3.960 0.002 0.000 0.216 68 G C 1.394 176.339 174.900 0.074 0.000 1.154 68 G CA 0.506 45.637 45.100 0.052 0.000 0.784 68 G HN 0.500 nan 8.290 nan 0.000 0.538 69 L N 0.303 121.575 121.223 0.080 0.000 2.083 69 L HA -0.059 4.282 4.340 0.002 0.000 0.209 69 L C 2.899 179.831 176.870 0.104 0.000 1.083 69 L CA 1.103 56.003 54.840 0.100 0.000 0.752 69 L CB -0.344 41.769 42.059 0.091 0.000 0.899 69 L HN 0.283 nan 8.230 nan 0.000 0.433 70 E N 0.280 120.529 120.200 0.080 0.000 2.106 70 E HA -0.219 4.132 4.350 0.002 0.000 0.192 70 E C 2.140 178.790 176.600 0.084 0.000 0.984 70 E CA 1.015 57.460 56.400 0.076 0.000 0.806 70 E CB -0.025 29.708 29.700 0.055 0.000 0.750 70 E HN 0.493 nan 8.360 nan 0.000 0.458 71 K N 0.625 121.069 120.400 0.074 0.000 2.057 71 K HA -0.089 4.232 4.320 0.002 0.000 0.207 71 K C 2.207 178.865 176.600 0.096 0.000 1.049 71 K CA 0.948 57.274 56.287 0.065 0.000 0.931 71 K CB -0.099 32.425 32.500 0.040 0.000 0.714 71 K HN 0.112 nan 8.250 nan 0.000 0.440 72 I N 0.503 121.158 120.570 0.140 0.000 2.252 72 I HA -0.279 3.892 4.170 0.002 0.000 0.245 72 I C 2.625 178.931 176.117 0.316 0.000 1.102 72 I CA 0.869 62.309 61.300 0.233 0.000 1.385 72 I CB -0.326 37.850 38.000 0.294 0.000 1.064 72 I HN 0.160 nan 8.210 nan 0.000 0.414 73 S N 0.521 116.373 115.700 0.254 0.000 2.359 73 S HA -0.227 4.244 4.470 0.002 0.000 0.224 73 S C 2.051 176.786 174.600 0.225 0.000 1.035 73 S CA 1.549 59.895 58.200 0.244 0.000 1.018 73 S CB -0.185 63.099 63.200 0.141 0.000 0.876 73 S HN 0.342 nan 8.310 nan 0.000 0.448 74 E N 0.939 121.231 120.200 0.152 0.000 2.077 74 E HA -0.120 4.231 4.350 0.002 0.000 0.193 74 E C 2.141 178.812 176.600 0.118 0.000 0.989 74 E CA 1.106 57.575 56.400 0.114 0.000 0.800 74 E CB -0.417 29.326 29.700 0.072 0.000 0.746 74 E HN 0.702 nan 8.360 nan 0.000 0.452 75 E N -0.496 119.766 120.200 0.103 0.000 2.085 75 E HA -0.200 4.151 4.350 0.002 0.000 0.194 75 E C 2.033 178.684 176.600 0.087 0.000 0.994 75 E CA 1.083 57.506 56.400 0.039 0.000 0.801 75 E CB -0.248 29.430 29.700 -0.035 0.000 0.743 75 E HN 0.372 nan 8.360 nan 0.000 0.453 76 W N 0.922 122.304 121.300 0.136 0.000 2.379 76 W HA -0.124 4.537 4.660 0.002 0.000 0.307 76 W C 2.802 179.342 176.519 0.035 0.000 1.200 76 W CA 0.804 58.185 57.345 0.061 0.000 1.297 76 W CB -0.274 29.159 29.460 -0.045 0.000 1.140 76 W HN -0.065 nan 8.180 nan 0.000 0.507 77 S N 0.285 116.150 115.700 0.276 0.000 2.387 77 S HA -0.211 4.260 4.470 0.002 0.000 0.230 77 S C 1.385 176.058 174.600 0.121 0.000 1.035 77 S CA 1.527 59.822 58.200 0.158 0.000 1.014 77 S CB -0.372 62.897 63.200 0.115 0.000 0.836 77 S HN 0.314 nan 8.310 nan 0.000 0.466 78 K N 0.270 120.736 120.400 0.111 0.000 2.404 78 K HA 0.224 4.545 4.320 0.002 0.000 0.194 78 K C 1.093 177.735 176.600 0.070 0.000 1.023 78 K CA 0.400 56.730 56.287 0.072 0.000 1.094 78 K CB 0.193 32.720 32.500 0.045 0.000 0.841 78 K HN 0.388 nan 8.250 nan 0.000 0.523 79 G N 1.367 110.232 108.800 0.110 0.000 2.225 79 G HA2 -0.232 3.729 3.960 0.002 0.000 0.267 79 G HA3 -0.232 3.729 3.960 0.002 0.000 0.267 79 G C 0.562 175.488 174.900 0.044 0.000 1.024 79 G CA 0.359 45.522 45.100 0.104 0.000 0.784 79 G HN 0.215 nan 8.290 nan 0.000 0.507 80 V N -0.547 119.371 119.914 0.007 0.000 3.660 80 V HA 0.335 4.456 4.120 0.002 0.000 0.276 80 V C 1.195 177.198 176.094 -0.151 0.000 1.317 80 V CA 0.062 62.327 62.300 -0.058 0.000 1.097 80 V CB -0.236 31.553 31.823 -0.057 0.000 0.863 80 V HN 0.457 nan 8.190 nan 0.000 0.438 81 F N 1.423 121.142 119.950 -0.386 0.000 2.578 81 F HA 0.220 4.749 4.527 0.002 0.000 0.381 81 F C 0.194 175.713 175.800 -0.468 0.000 1.069 81 F CA 0.411 58.014 58.000 -0.663 0.000 1.231 81 F CB 0.703 38.734 39.000 -1.614 0.000 1.086 81 F HN -0.174 nan 8.300 nan 0.000 0.564 82 V N 7.634 127.098 119.914 -0.749 0.000 2.350 82 V HA 0.227 4.348 4.120 0.002 0.000 0.276 82 V C -0.336 175.594 176.094 -0.274 0.000 1.028 82 V CA -0.767 61.306 62.300 -0.378 0.000 0.860 82 V CB 1.137 32.765 31.823 -0.325 0.000 0.990 82 V HN 0.522 nan 8.190 nan 0.000 0.453 83 V N 6.171 126.104 119.914 0.031 0.000 2.498 83 V HA 0.391 4.512 4.120 0.002 0.000 0.279 83 V C 0.361 176.484 176.094 0.048 0.000 1.048 83 V CA -0.683 61.709 62.300 0.155 0.000 0.967 83 V CB 1.279 33.222 31.823 0.199 0.000 0.988 83 V HN 0.711 nan 8.190 nan 0.000 0.473 84 K N 3.218 123.645 120.400 0.045 0.000 2.156 84 K HA 0.266 4.587 4.320 0.002 0.000 0.254 84 K C 1.076 177.691 176.600 0.025 0.000 0.950 84 K CA -0.643 55.651 56.287 0.012 0.000 0.849 84 K CB 1.807 34.301 32.500 -0.010 0.000 1.100 84 K HN 0.702 nan 8.250 nan 0.000 0.434 85 Q N 1.672 121.481 119.800 0.014 0.000 2.344 85 Q HA -0.201 4.140 4.340 0.002 0.000 0.212 85 Q C 0.935 176.944 176.000 0.015 0.000 0.991 85 Q CA 2.512 58.324 55.803 0.015 0.000 0.897 85 Q CB -0.187 28.556 28.738 0.009 0.000 0.915 85 Q HN 0.608 nan 8.270 nan 0.000 0.438 86 S N -0.453 115.256 115.700 0.015 0.000 2.527 86 S HA 0.010 4.481 4.470 0.002 0.000 0.222 86 S C 0.092 174.704 174.600 0.021 0.000 0.985 86 S CA -0.001 58.208 58.200 0.015 0.000 0.921 86 S CB 0.019 63.227 63.200 0.012 0.000 0.772 86 S HN 0.175 nan 8.310 nan 0.000 0.529 87 D N 2.702 123.121 120.400 0.032 0.000 2.349 87 D HA 0.107 4.748 4.640 0.002 0.000 0.266 87 D C 0.876 177.183 176.300 0.011 0.000 1.293 87 D CA 0.194 54.217 54.000 0.038 0.000 0.926 87 D CB 0.833 41.680 40.800 0.078 0.000 1.090 87 D HN 0.581 nan 8.370 nan 0.000 0.502 88 E N 1.907 122.108 120.200 0.002 0.000 2.112 88 E HA -0.124 4.227 4.350 0.002 0.000 0.190 88 E C -0.217 176.351 176.600 -0.053 0.000 0.979 88 E CA 0.702 57.094 56.400 -0.013 0.000 0.814 88 E CB 0.452 30.154 29.700 0.003 0.000 0.762 88 E HN 0.606 nan 8.360 nan 0.000 0.460 89 D N -1.866 118.492 120.400 -0.070 0.000 2.677 89 D HA 0.020 4.661 4.640 0.002 0.000 0.298 89 D C 0.422 176.590 176.300 -0.219 0.000 1.250 89 D CA -0.695 53.205 54.000 -0.168 0.000 0.888 89 D CB -0.043 40.671 40.800 -0.144 0.000 1.397 89 D HN -0.064 nan 8.370 nan 0.000 0.461 90 I N -0.027 120.297 120.570 -0.411 0.000 2.361 90 I HA -0.133 4.038 4.170 0.002 0.000 0.251 90 I C 1.579 177.502 176.117 -0.324 0.000 1.133 90 I CA 1.718 62.780 61.300 -0.396 0.000 1.413 90 I CB -0.522 37.170 38.000 -0.512 0.000 1.073 90 I HN 0.489 nan 8.210 nan 0.000 0.424 91 H N -1.320 117.703 119.070 -0.079 0.000 2.357 91 H HA -0.076 4.481 4.556 0.002 0.000 0.301 91 H C 2.131 177.414 175.328 -0.075 0.000 1.082 91 H CA 1.743 57.738 56.048 -0.088 0.000 1.342 91 H CB -0.643 29.050 29.762 -0.115 0.000 1.389 91 H HN 0.226 nan 8.280 nan 0.000 0.511 92 T N 0.394 114.963 114.554 0.026 0.000 2.777 92 T HA -0.093 4.258 4.350 0.002 0.000 0.266 92 T C 2.373 177.107 174.700 0.056 0.000 1.040 92 T CA 1.031 63.141 62.100 0.017 0.000 1.141 92 T CB -0.379 68.497 68.868 0.013 0.000 0.868 92 T HN 0.502 nan 8.240 nan 0.000 0.444 93 A N 2.056 124.924 122.820 0.081 0.000 1.972 93 A HA -0.116 4.205 4.320 0.002 0.000 0.219 93 A C 2.244 180.009 177.584 0.303 0.000 1.169 93 A CA 1.347 53.509 52.037 0.209 0.000 0.635 93 A CB -0.485 18.669 19.000 0.256 0.000 0.810 93 A HN 0.342 nan 8.150 nan 0.000 0.446 94 N N -0.194 118.622 118.700 0.193 0.000 2.171 94 N HA -0.083 4.658 4.740 0.002 0.000 0.184 94 N C 1.650 177.260 175.510 0.168 0.000 1.021 94 N CA 1.357 54.541 53.050 0.224 0.000 0.854 94 N CB -0.340 38.232 38.487 0.142 0.000 0.994 94 N HN 0.649 nan 8.380 nan 0.000 0.426 95 E N 0.578 120.835 120.200 0.095 0.000 2.106 95 E HA -0.130 4.221 4.350 0.002 0.000 0.192 95 E C 2.027 178.666 176.600 0.065 0.000 0.984 95 E CA 0.537 56.971 56.400 0.056 0.000 0.806 95 E CB 0.095 29.789 29.700 -0.010 0.000 0.750 95 E HN 0.249 nan 8.360 nan 0.000 0.458 96 R N 1.186 121.732 120.500 0.076 0.000 2.070 96 R HA -0.200 4.141 4.340 0.002 0.000 0.232 96 R C 2.388 178.718 176.300 0.049 0.000 1.138 96 R CA 1.925 58.059 56.100 0.056 0.000 0.936 96 R CB -0.177 30.159 30.300 0.059 0.000 0.839 96 R HN -0.041 nan 8.270 nan 0.000 0.429 97 R N 0.605 121.156 120.500 0.086 0.000 2.096 97 R HA -0.140 4.201 4.340 0.002 0.000 0.235 97 R C 2.290 178.617 176.300 0.045 0.000 1.127 97 R CA 1.438 57.556 56.100 0.031 0.000 0.968 97 R CB -0.673 29.666 30.300 0.065 0.000 0.861 97 R HN 0.339 nan 8.270 nan 0.000 0.440 98 L N 1.119 122.393 121.223 0.086 0.000 2.046 98 L HA -0.115 4.226 4.340 0.002 0.000 0.208 98 L C 2.235 179.130 176.870 0.041 0.000 1.077 98 L CA 2.057 56.939 54.840 0.070 0.000 0.747 98 L CB -0.564 41.545 42.059 0.082 0.000 0.896 98 L HN 0.283 nan 8.230 nan 0.000 0.432 99 K N -0.529 119.892 120.400 0.035 0.000 2.097 99 K HA -0.182 4.139 4.320 0.002 0.000 0.205 99 K C 1.849 178.454 176.600 0.007 0.000 1.050 99 K CA 1.612 57.913 56.287 0.022 0.000 0.938 99 K CB -0.102 32.410 32.500 0.021 0.000 0.718 99 K HN 0.507 nan 8.250 nan 0.000 0.442 100 E N 0.253 120.451 120.200 -0.004 0.000 2.153 100 E HA -0.185 4.166 4.350 0.002 0.000 0.194 100 E C 1.824 178.410 176.600 -0.022 0.000 0.988 100 E CA 0.850 57.236 56.400 -0.023 0.000 0.811 100 E CB 0.051 29.721 29.700 -0.051 0.000 0.746 100 E HN 0.182 nan 8.360 nan 0.000 0.466 101 L N 0.078 121.293 121.223 -0.013 0.000 2.162 101 L HA -0.001 4.340 4.340 0.002 0.000 0.205 101 L C 2.210 179.081 176.870 0.002 0.000 1.086 101 L CA 1.315 56.150 54.840 -0.008 0.000 0.778 101 L CB -0.142 41.918 42.059 0.001 0.000 0.928 101 L HN 0.230 nan 8.230 nan 0.000 0.446 102 I N -4.651 115.925 120.570 0.011 0.000 4.240 102 I HA 0.607 4.778 4.170 0.002 0.000 0.331 102 I C 0.853 176.978 176.117 0.013 0.000 1.381 102 I CA 0.130 61.438 61.300 0.013 0.000 1.136 102 I CB 0.211 38.224 38.000 0.022 0.000 1.137 102 I HN 0.169 nan 8.210 nan 0.000 0.411 103 G N 1.902 110.709 108.800 0.010 0.000 2.725 103 G HA2 -0.261 3.700 3.960 0.002 0.000 0.220 103 G HA3 -0.261 3.700 3.960 0.002 0.000 0.220 103 G C 0.070 174.980 174.900 0.016 0.000 1.357 103 G CA 0.136 45.242 45.100 0.010 0.000 0.866 103 G HN 0.248 nan 8.290 nan 0.000 0.548 104 D N -0.428 119.980 120.400 0.015 0.000 2.200 104 D HA -0.204 4.437 4.640 0.002 0.000 0.192 104 D C 2.389 178.704 176.300 0.025 0.000 1.008 104 D CA 1.598 55.610 54.000 0.019 0.000 0.872 104 D CB -0.121 40.689 40.800 0.016 0.000 0.923 104 D HN 0.575 nan 8.370 nan 0.000 0.447 105 I N 0.636 121.220 120.570 0.023 0.000 2.290 105 I HA -0.368 3.803 4.170 0.002 0.000 0.253 105 I C 2.075 178.214 176.117 0.038 0.000 1.112 105 I CA 1.558 62.875 61.300 0.027 0.000 1.377 105 I CB 0.003 38.018 38.000 0.024 0.000 1.060 105 I HN -0.084 nan 8.210 nan 0.000 0.428 106 A N 0.785 123.628 122.820 0.039 0.000 1.978 106 A HA -0.169 4.152 4.320 0.002 0.000 0.220 106 A C 2.350 179.970 177.584 0.060 0.000 1.170 106 A CA 1.692 53.759 52.037 0.050 0.000 0.636 106 A CB -1.542 17.485 19.000 0.045 0.000 0.810 106 A HN 0.567 nan 8.150 nan 0.000 0.448 107 G N -0.178 108.654 108.800 0.053 0.000 2.462 107 G HA2 -0.237 3.724 3.960 0.002 0.000 0.220 107 G HA3 -0.237 3.724 3.960 0.002 0.000 0.220 107 G C 1.536 176.486 174.900 0.084 0.000 1.121 107 G CA 1.026 46.165 45.100 0.064 0.000 0.758 107 G HN 0.641 nan 8.290 nan 0.000 0.559 108 K N -0.354 120.091 120.400 0.074 0.000 2.362 108 K HA 0.075 4.396 4.320 0.002 0.000 0.200 108 K C 2.205 178.876 176.600 0.118 0.000 1.046 108 K CA 0.304 56.639 56.287 0.079 0.000 0.952 108 K CB -0.121 32.410 32.500 0.052 0.000 0.753 108 K HN 0.295 nan 8.250 nan 0.000 0.466 109 L N 0.913 122.219 121.223 0.139 0.000 2.042 109 L HA -0.205 4.136 4.340 0.002 0.000 0.210 109 L C 1.916 178.975 176.870 0.315 0.000 1.076 109 L CA 1.931 56.893 54.840 0.204 0.000 0.749 109 L CB -0.558 41.600 42.059 0.166 0.000 0.893 109 L HN 0.291 nan 8.230 nan 0.000 0.432 110 H N -1.041 118.094 119.070 0.109 0.000 2.553 110 H HA 0.048 4.605 4.556 0.002 0.000 0.269 110 H C -0.130 175.251 175.328 0.087 0.000 1.011 110 H CA 0.052 56.130 56.048 0.051 0.000 1.150 110 H CB -0.046 29.717 29.762 0.003 0.000 1.339 110 H HN 0.312 nan 8.280 nan 0.000 0.604 111 T N 0.130 114.792 114.554 0.180 0.000 2.822 111 T HA 0.043 4.394 4.350 0.002 0.000 0.288 111 T C 1.231 176.007 174.700 0.127 0.000 0.991 111 T CA 0.903 63.067 62.100 0.107 0.000 1.176 111 T CB 0.346 69.273 68.868 0.098 0.000 0.951 111 T HN 0.667 nan 8.240 nan 0.000 0.526 112 G N 2.968 111.771 108.800 0.005 0.000 2.196 112 G HA2 -0.304 3.657 3.960 0.002 0.000 0.268 112 G HA3 -0.304 3.657 3.960 0.002 0.000 0.268 112 G C 0.246 175.096 174.900 -0.083 0.000 0.975 112 G CA 0.700 45.803 45.100 0.005 0.000 0.648 112 G HN 0.821 nan 8.290 nan 0.000 0.538 113 R N -0.097 120.219 120.500 -0.305 0.000 2.720 113 R HA 0.705 5.046 4.340 0.002 0.000 0.272 113 R C -0.169 175.733 176.300 -0.663 0.000 0.991 113 R CA 0.169 55.945 56.100 -0.540 0.000 1.010 113 R CB 1.383 31.224 30.300 -0.765 0.000 1.141 113 R HN 0.268 nan 8.270 nan 0.000 0.494 114 S N 0.207 115.661 115.700 -0.409 0.000 2.599 114 S HA 0.346 4.817 4.470 0.002 0.000 0.294 114 S C 0.498 175.011 174.600 -0.144 0.000 1.094 114 S CA -0.779 57.263 58.200 -0.263 0.000 0.931 114 S CB 1.716 64.790 63.200 -0.210 0.000 1.093 114 S HN 0.748 nan 8.310 nan 0.000 0.488 115 R N 1.435 121.865 120.500 -0.117 0.000 2.189 115 R HA -0.001 4.340 4.340 0.002 0.000 0.218 115 R C 1.159 177.266 176.300 -0.321 0.000 1.074 115 R CA 0.908 56.847 56.100 -0.269 0.000 0.991 115 R CB -0.331 29.824 30.300 -0.241 0.000 0.883 115 R HN 0.557 nan 8.270 nan 0.000 0.457 116 N N 1.343 119.858 118.700 -0.308 0.000 2.084 116 N HA -0.167 4.574 4.740 0.002 0.000 0.190 116 N C 1.268 176.686 175.510 -0.152 0.000 1.030 116 N CA 1.749 54.624 53.050 -0.291 0.000 0.849 116 N CB -0.323 37.995 38.487 -0.283 0.000 1.012 116 N HN 0.386 nan 8.380 nan 0.000 0.423 117 D N -0.186 120.118 120.400 -0.159 0.000 2.333 117 D HA -0.081 4.560 4.640 0.002 0.000 0.208 117 D C 1.607 177.817 176.300 -0.151 0.000 0.984 117 D CA 0.385 54.306 54.000 -0.132 0.000 0.873 117 D CB -0.382 40.339 40.800 -0.132 0.000 0.935 117 D HN 0.335 nan 8.370 nan 0.000 0.521 118 Q N 0.445 120.124 119.800 -0.202 0.000 2.083 118 Q HA -0.067 4.274 4.340 0.002 0.000 0.198 118 Q C 2.129 178.030 176.000 -0.165 0.000 0.969 118 Q CA 0.813 56.487 55.803 -0.215 0.000 0.838 118 Q CB 0.143 28.695 28.738 -0.311 0.000 0.900 118 Q HN 0.152 nan 8.270 nan 0.000 0.436 119 V N 0.497 120.295 119.914 -0.194 0.000 2.358 119 V HA -0.177 3.944 4.120 0.002 0.000 0.246 119 V C 2.253 178.401 176.094 0.090 0.000 1.047 119 V CA 1.760 64.067 62.300 0.011 0.000 1.035 119 V CB -0.073 31.796 31.823 0.076 0.000 0.658 119 V HN 0.512 nan 8.190 nan 0.000 0.452 120 V N -2.563 117.388 119.914 0.061 0.000 2.626 120 V HA -0.151 3.970 4.120 0.002 0.000 0.252 120 V C 2.314 178.398 176.094 -0.017 0.000 1.067 120 V CA 2.315 64.668 62.300 0.088 0.000 1.081 120 V CB -1.658 30.206 31.823 0.069 0.000 0.686 120 V HN 0.536 nan 8.190 nan 0.000 0.468 121 T N 0.740 115.271 114.554 -0.038 0.000 2.777 121 T HA -0.144 4.207 4.350 0.002 0.000 0.266 121 T C 1.634 176.392 174.700 0.097 0.000 1.040 121 T CA 1.958 64.042 62.100 -0.027 0.000 1.141 121 T CB -0.463 68.381 68.868 -0.041 0.000 0.868 121 T HN 0.553 nan 8.240 nan 0.000 0.444 122 D N 0.947 121.410 120.400 0.105 0.000 2.117 122 D HA -0.037 4.604 4.640 0.002 0.000 0.197 122 D C 1.975 178.394 176.300 0.198 0.000 0.987 122 D CA 0.565 54.652 54.000 0.146 0.000 0.829 122 D CB -0.445 40.446 40.800 0.152 0.000 0.961 122 D HN 0.168 nan 8.370 nan 0.000 0.460 123 L N 1.002 122.349 121.223 0.207 0.000 2.093 123 L HA -0.078 4.263 4.340 0.002 0.000 0.208 123 L C 1.823 178.870 176.870 0.294 0.000 1.085 123 L CA 1.675 56.691 54.840 0.294 0.000 0.755 123 L CB -0.219 42.043 42.059 0.338 0.000 0.904 123 L HN -0.135 nan 8.230 nan 0.000 0.435 124 K N -0.933 119.543 120.400 0.126 0.000 2.103 124 K HA -0.089 4.232 4.320 0.002 0.000 0.204 124 K C 2.083 178.769 176.600 0.144 0.000 1.052 124 K CA 1.188 57.502 56.287 0.045 0.000 0.945 124 K CB -0.190 32.235 32.500 -0.124 0.000 0.722 124 K HN 0.311 nan 8.250 nan 0.000 0.443 125 L N 0.106 121.450 121.223 0.202 0.000 1.994 125 L HA -0.198 4.143 4.340 0.002 0.000 0.208 125 L C 2.401 179.305 176.870 0.058 0.000 1.071 125 L CA 1.282 56.174 54.840 0.087 0.000 0.745 125 L CB -0.421 41.709 42.059 0.119 0.000 0.892 125 L HN 0.124 nan 8.230 nan 0.000 0.431 126 F N 0.459 120.425 119.950 0.027 0.000 2.095 126 F HA -0.284 4.245 4.527 0.002 0.000 0.298 126 F C 2.458 178.259 175.800 0.002 0.000 1.104 126 F CA 1.720 59.735 58.000 0.025 0.000 1.232 126 F CB -0.213 38.843 39.000 0.094 0.000 0.987 126 F HN -0.050 nan 8.300 nan 0.000 0.475 127 M N 0.111 119.684 119.600 -0.047 0.000 2.213 127 M HA -0.200 4.281 4.480 0.002 0.000 0.263 127 M C 2.283 178.427 176.300 -0.259 0.000 1.062 127 M CA 1.721 56.882 55.300 -0.232 0.000 1.105 127 M CB -0.419 32.144 32.600 -0.062 0.000 1.385 127 M HN 0.159 nan 8.290 nan 0.000 0.417 128 K N 0.694 120.992 120.400 -0.170 0.000 2.057 128 K HA -0.123 4.198 4.320 0.002 0.000 0.206 128 K C 1.362 177.840 176.600 -0.203 0.000 1.050 128 K CA 1.542 57.728 56.287 -0.167 0.000 0.935 128 K CB -0.041 32.355 32.500 -0.173 0.000 0.715 128 K HN 0.446 nan 8.250 nan 0.000 0.439 129 N N -0.215 118.339 118.700 -0.245 0.000 2.142 129 N HA -0.101 4.640 4.740 0.002 0.000 0.186 129 N C 1.728 177.075 175.510 -0.272 0.000 1.023 129 N CA 1.275 54.182 53.050 -0.238 0.000 0.852 129 N CB 0.022 38.371 38.487 -0.230 0.000 0.998 129 N HN 0.076 nan 8.380 nan 0.000 0.424 130 S N 1.030 116.475 115.700 -0.425 0.000 2.356 130 S HA -0.052 4.419 4.470 0.002 0.000 0.223 130 S C 1.836 176.340 174.600 -0.159 0.000 1.032 130 S CA 0.817 58.805 58.200 -0.353 0.000 1.005 130 S CB -0.259 62.611 63.200 -0.550 0.000 0.867 130 S HN 0.136 nan 8.310 nan 0.000 0.449 131 L N 1.664 122.789 121.223 -0.163 0.000 2.261 131 L HA -0.039 4.302 4.340 0.002 0.000 0.216 131 L C 2.519 179.347 176.870 -0.070 0.000 1.114 131 L CA 1.224 56.025 54.840 -0.065 0.000 0.777 131 L CB -1.001 41.000 42.059 -0.097 0.000 0.910 131 L HN 0.300 nan 8.230 nan 0.000 0.440 132 S N -0.675 114.961 115.700 -0.106 0.000 2.368 132 S HA -0.091 4.380 4.470 0.002 0.000 0.224 132 S C 2.037 176.577 174.600 -0.101 0.000 1.029 132 S CA 1.014 59.153 58.200 -0.101 0.000 0.988 132 S CB -0.131 63.000 63.200 -0.114 0.000 0.838 132 S HN 0.384 nan 8.310 nan 0.000 0.462 133 I N 1.027 121.537 120.570 -0.100 0.000 2.252 133 I HA -0.111 4.060 4.170 0.002 0.000 0.245 133 I C 2.139 178.200 176.117 -0.094 0.000 1.102 133 I CA 1.035 62.259 61.300 -0.127 0.000 1.385 133 I CB -0.340 37.629 38.000 -0.052 0.000 1.064 133 I HN 0.312 nan 8.210 nan 0.000 0.414 134 I N 0.064 120.663 120.570 0.050 0.000 2.226 134 I HA -0.318 3.853 4.170 0.002 0.000 0.245 134 I C 2.808 178.993 176.117 0.113 0.000 1.100 134 I CA 1.470 62.872 61.300 0.171 0.000 1.374 134 I CB -0.365 37.798 38.000 0.272 0.000 1.057 134 I HN 0.220 nan 8.210 nan 0.000 0.413 135 S N 0.188 115.907 115.700 0.033 0.000 2.370 135 S HA -0.220 4.251 4.470 0.002 0.000 0.226 135 S C 2.083 176.674 174.600 -0.015 0.000 1.033 135 S CA 2.366 60.572 58.200 0.009 0.000 1.011 135 S CB -0.406 62.772 63.200 -0.038 0.000 0.852 135 S HN 0.441 nan 8.310 nan 0.000 0.457 136 T N 0.844 115.341 114.554 -0.094 0.000 2.708 136 T HA -0.096 4.255 4.350 0.002 0.000 0.266 136 T C 1.449 176.094 174.700 -0.092 0.000 1.037 136 T CA 1.959 63.974 62.100 -0.141 0.000 1.146 136 T CB -0.625 68.085 68.868 -0.264 0.000 0.865 136 T HN 0.701 nan 8.240 nan 0.000 0.435 137 H N 0.253 119.341 119.070 0.031 0.000 2.389 137 H HA 0.124 4.681 4.556 0.002 0.000 0.299 137 H C 2.337 177.685 175.328 0.032 0.000 1.081 137 H CA 0.776 56.842 56.048 0.031 0.000 1.345 137 H CB -0.092 29.693 29.762 0.039 0.000 1.393 137 H HN 0.121 nan 8.280 nan 0.000 0.520 138 L N 0.367 121.686 121.223 0.160 0.000 2.017 138 L HA -0.183 4.158 4.340 0.002 0.000 0.208 138 L C 1.810 178.723 176.870 0.072 0.000 1.073 138 L CA 0.909 55.821 54.840 0.119 0.000 0.745 138 L CB -0.120 42.030 42.059 0.151 0.000 0.894 138 L HN 0.335 nan 8.230 nan 0.000 0.432 139 L N -0.222 121.031 121.223 0.050 0.000 2.083 139 L HA -0.234 4.107 4.340 0.002 0.000 0.209 139 L C 2.490 179.375 176.870 0.024 0.000 1.083 139 L CA 1.576 56.431 54.840 0.025 0.000 0.752 139 L CB -1.347 40.716 42.059 0.007 0.000 0.899 139 L HN 0.415 nan 8.230 nan 0.000 0.433 140 Q N -0.256 119.567 119.800 0.038 0.000 2.172 140 Q HA -0.141 4.200 4.340 0.002 0.000 0.200 140 Q C 2.193 178.212 176.000 0.031 0.000 0.964 140 Q CA 1.266 57.093 55.803 0.041 0.000 0.855 140 Q CB -0.235 28.547 28.738 0.073 0.000 0.918 140 Q HN 0.438 nan 8.270 nan 0.000 0.444 141 L N -0.445 120.798 121.223 0.034 0.000 2.027 141 L HA -0.125 4.216 4.340 0.002 0.000 0.206 141 L C 2.081 178.944 176.870 -0.012 0.000 1.074 141 L CA 1.320 56.162 54.840 0.003 0.000 0.745 141 L CB -0.281 41.779 42.059 0.001 0.000 0.898 141 L HN 0.330 nan 8.230 nan 0.000 0.433 142 I N 0.191 120.758 120.570 -0.004 0.000 2.208 142 I HA -0.383 3.788 4.170 0.002 0.000 0.245 142 I C 2.630 178.735 176.117 -0.021 0.000 1.097 142 I CA 1.581 62.870 61.300 -0.018 0.000 1.363 142 I CB -0.376 37.619 38.000 -0.009 0.000 1.051 142 I HN 0.308 nan 8.210 nan 0.000 0.413 143 K N 0.774 121.169 120.400 -0.008 0.000 2.063 143 K HA -0.195 4.126 4.320 0.002 0.000 0.208 143 K C 2.043 178.639 176.600 -0.007 0.000 1.048 143 K CA 2.096 58.380 56.287 -0.006 0.000 0.928 143 K CB -0.145 32.358 32.500 0.004 0.000 0.713 143 K HN 0.226 nan 8.250 nan 0.000 0.442 144 T N 1.821 116.372 114.554 -0.006 0.000 2.720 144 T HA -0.158 4.193 4.350 0.002 0.000 0.268 144 T C 1.802 176.492 174.700 -0.016 0.000 1.037 144 T CA 1.593 63.690 62.100 -0.004 0.000 1.144 144 T CB -0.168 68.695 68.868 -0.008 0.000 0.864 144 T HN 0.166 nan 8.240 nan 0.000 0.444 145 L N 0.373 121.573 121.223 -0.039 0.000 2.027 145 L HA -0.056 4.285 4.340 0.002 0.000 0.206 145 L C 2.710 179.540 176.870 -0.067 0.000 1.074 145 L CA 0.847 55.647 54.840 -0.067 0.000 0.745 145 L CB -0.584 41.419 42.059 -0.094 0.000 0.898 145 L HN 0.126 nan 8.230 nan 0.000 0.433 146 V N -0.493 119.390 119.914 -0.052 0.000 2.343 146 V HA -0.227 3.894 4.120 0.002 0.000 0.247 146 V C 2.500 178.579 176.094 -0.024 0.000 1.051 146 V CA 1.552 63.826 62.300 -0.044 0.000 1.036 146 V CB -0.422 31.380 31.823 -0.035 0.000 0.654 146 V HN 0.413 nan 8.190 nan 0.000 0.451 147 E N -0.177 120.017 120.200 -0.010 0.000 2.204 147 E HA -0.186 4.165 4.350 0.002 0.000 0.194 147 E C 2.279 178.890 176.600 0.019 0.000 0.989 147 E CA 0.888 57.292 56.400 0.007 0.000 0.824 147 E CB -0.218 29.490 29.700 0.013 0.000 0.756 147 E HN 0.537 nan 8.360 nan 0.000 0.477 148 R N 0.577 121.086 120.500 0.016 0.000 2.073 148 R HA 0.000 4.341 4.340 0.002 0.000 0.229 148 R C 2.208 178.531 176.300 0.038 0.000 1.120 148 R CA 1.170 57.297 56.100 0.045 0.000 0.967 148 R CB -0.141 30.192 30.300 0.055 0.000 0.862 148 R HN 0.097 nan 8.270 nan 0.000 0.436 149 A N 0.768 123.577 122.820 -0.019 0.000 1.940 149 A HA -0.142 4.179 4.320 0.002 0.000 0.219 149 A C 2.319 179.912 177.584 0.015 0.000 1.176 149 A CA 1.749 53.766 52.037 -0.032 0.000 0.631 149 A CB -0.784 18.170 19.000 -0.076 0.000 0.814 149 A HN 0.545 nan 8.150 nan 0.000 0.446 150 A N 0.003 122.832 122.820 0.016 0.000 1.877 150 A HA -0.050 4.271 4.320 0.002 0.000 0.216 150 A C 1.992 179.603 177.584 0.044 0.000 1.186 150 A CA 1.605 53.657 52.037 0.025 0.000 0.620 150 A CB -0.460 18.552 19.000 0.019 0.000 0.822 150 A HN 0.401 nan 8.150 nan 0.000 0.443 151 I N 0.075 120.677 120.570 0.055 0.000 2.394 151 I HA -0.143 4.028 4.170 0.002 0.000 0.251 151 I C 1.337 177.509 176.117 0.092 0.000 1.136 151 I CA 1.275 62.616 61.300 0.068 0.000 1.425 151 I CB -1.285 36.758 38.000 0.071 0.000 1.079 151 I HN 0.447 nan 8.210 nan 0.000 0.425 152 E N 0.276 120.554 120.200 0.130 0.000 2.437 152 E HA 0.126 4.477 4.350 0.002 0.000 0.195 152 E C 1.843 178.549 176.600 0.177 0.000 1.029 152 E CA -0.214 56.299 56.400 0.189 0.000 0.948 152 E CB 0.259 30.174 29.700 0.357 0.000 1.082 152 E HN 0.359 nan 8.360 nan 0.000 0.456 153 I N 1.159 121.795 120.570 0.111 0.000 2.657 153 I HA -0.264 3.907 4.170 0.002 0.000 0.261 153 I C 0.815 176.984 176.117 0.088 0.000 1.212 153 I CA 1.277 62.630 61.300 0.088 0.000 1.453 153 I CB 0.294 38.329 38.000 0.058 0.000 1.092 153 I HN 0.046 nan 8.210 nan 0.000 0.452 154 D N 0.089 120.539 120.400 0.084 0.000 2.333 154 D HA 0.075 4.716 4.640 0.002 0.000 0.208 154 D C 0.646 176.985 176.300 0.065 0.000 0.984 154 D CA 0.314 54.354 54.000 0.066 0.000 0.873 154 D CB 0.103 40.934 40.800 0.051 0.000 0.935 154 D HN 0.093 nan 8.370 nan 0.000 0.521 155 V N 2.006 121.973 119.914 0.089 0.000 2.572 155 V HA 0.110 4.231 4.120 0.002 0.000 0.291 155 V C 0.623 176.754 176.094 0.061 0.000 1.039 155 V CA 0.068 62.401 62.300 0.055 0.000 1.055 155 V CB 0.996 32.850 31.823 0.052 0.000 0.969 155 V HN -0.039 nan 8.190 nan 0.000 0.482 156 I N 5.886 126.441 120.570 -0.025 0.000 2.646 156 I HA 0.722 4.893 4.170 0.002 0.000 0.299 156 I C -0.335 175.670 176.117 -0.186 0.000 1.036 156 I CA -0.596 60.670 61.300 -0.056 0.000 1.074 156 I CB 1.921 39.898 38.000 -0.039 0.000 1.258 156 I HN 0.614 nan 8.210 nan 0.000 0.430 157 L N 3.631 124.721 121.223 -0.221 0.000 2.801 157 L HA 0.751 5.092 4.340 0.002 0.000 0.264 157 L C -3.102 173.576 176.870 -0.320 0.000 1.086 157 L CA -1.916 52.693 54.840 -0.385 0.000 0.920 157 L CB 1.935 43.625 42.059 -0.616 0.000 1.529 157 L HN 0.156 nan 8.230 nan 0.000 0.399 158 P HA 0.353 nan 4.420 nan 0.000 0.274 158 P C -0.769 176.348 177.300 -0.305 0.000 1.231 158 P CA -0.012 62.869 63.100 -0.366 0.000 0.790 158 P CB 1.106 32.528 31.700 -0.465 0.000 0.951 159 G N 1.116 109.734 108.800 -0.303 0.000 2.388 159 G HA2 0.565 4.526 3.960 0.002 0.000 0.330 159 G HA3 0.565 4.526 3.960 0.002 0.000 0.330 159 G C -1.687 173.079 174.900 -0.223 0.000 1.142 159 G CA -0.221 44.821 45.100 -0.096 0.000 0.908 159 G HN 0.299 nan 8.290 nan 0.000 0.473 160 Y N 0.111 120.486 120.300 0.125 0.000 2.468 160 Y HA 0.658 5.209 4.550 0.001 0.000 0.342 160 Y C 0.662 176.609 175.900 0.079 0.000 1.021 160 Y CA -0.824 57.358 58.100 0.136 0.000 1.079 160 Y CB 2.749 41.341 38.460 0.221 0.000 1.226 160 Y HN 0.639 nan 8.280 nan 0.000 0.460 161 T N -1.029 113.646 114.554 0.201 0.000 2.921 161 T HA 0.335 4.686 4.350 0.002 0.000 0.297 161 T C -0.684 174.081 174.700 0.108 0.000 1.013 161 T CA -0.767 61.346 62.100 0.023 0.000 0.990 161 T CB 0.868 69.702 68.868 -0.057 0.000 1.023 161 T HN 0.899 nan 8.240 nan 0.000 0.447 162 H N 1.198 120.346 119.070 0.131 0.000 2.958 162 H HA -0.147 4.410 4.556 0.002 0.000 0.274 162 H C 0.895 176.314 175.328 0.152 0.000 1.184 162 H CA 0.679 56.795 56.048 0.113 0.000 1.143 162 H CB -1.352 28.466 29.762 0.094 0.000 1.297 162 H HN 0.880 nan 8.280 nan 0.000 0.356 163 L N -1.072 120.320 121.223 0.282 0.000 4.001 163 L HA -0.259 4.082 4.340 0.002 0.000 0.413 163 L C -0.125 177.019 176.870 0.457 0.000 1.185 163 L CA 1.523 56.549 54.840 0.311 0.000 0.963 163 L CB -0.439 41.724 42.059 0.173 0.000 1.976 163 L HN 0.426 nan 8.230 nan 0.000 0.939 164 Q N 0.377 120.455 119.800 0.464 0.000 2.365 164 Q HA 0.409 4.750 4.340 0.002 0.000 0.269 164 Q C -0.063 176.072 176.000 0.226 0.000 1.061 164 Q CA -0.767 55.245 55.803 0.348 0.000 0.816 164 Q CB 1.768 30.641 28.738 0.225 0.000 1.325 164 Q HN 0.275 nan 8.270 nan 0.000 0.446 165 K N 1.008 121.426 120.400 0.030 0.000 2.436 165 K HA 0.146 4.467 4.320 0.002 0.000 0.282 165 K C 0.439 176.959 176.600 -0.132 0.000 1.044 165 K CA 0.204 56.321 56.287 -0.284 0.000 1.028 165 K CB 0.569 32.933 32.500 -0.226 0.000 0.919 165 K HN 0.660 nan 8.250 nan 0.000 0.474 166 A N 3.922 126.645 122.820 -0.162 0.000 1.938 166 A HA -0.002 4.319 4.320 0.002 0.000 0.207 166 A C 0.202 177.751 177.584 -0.057 0.000 1.292 166 A CA 0.656 52.659 52.037 -0.057 0.000 0.700 166 A CB 0.259 19.245 19.000 -0.023 0.000 0.947 166 A HN 0.810 nan 8.150 nan 0.000 0.476 167 Q N -1.466 118.274 119.800 -0.100 0.000 2.594 167 Q HA 0.442 4.783 4.340 0.002 0.000 0.278 167 Q C -3.285 172.650 176.000 -0.107 0.000 0.961 167 Q CA -1.927 53.839 55.803 -0.062 0.000 0.844 167 Q CB 1.152 29.876 28.738 -0.023 0.000 1.475 167 Q HN -0.001 nan 8.270 nan 0.000 0.389 168 P HA 0.195 nan 4.420 nan 0.000 0.268 168 P C -0.756 176.498 177.300 -0.077 0.000 1.205 168 P CA 0.208 63.245 63.100 -0.105 0.000 0.771 168 P CB 0.342 32.015 31.700 -0.046 0.000 0.858 169 I N -1.396 119.126 120.570 -0.081 0.000 3.191 169 I HA 0.600 4.771 4.170 0.002 0.000 0.313 169 I C -0.720 175.400 176.117 0.005 0.000 1.193 169 I CA -1.750 59.523 61.300 -0.045 0.000 0.968 169 I CB 2.433 40.411 38.000 -0.038 0.000 1.262 169 I HN 0.058 nan 8.210 nan 0.000 0.456 170 R N 1.669 122.195 120.500 0.043 0.000 2.459 170 R HA 0.144 4.485 4.340 0.002 0.000 0.281 170 R C 0.564 176.968 176.300 0.173 0.000 1.050 170 R CA -0.405 55.750 56.100 0.092 0.000 1.055 170 R CB 1.246 31.594 30.300 0.081 0.000 1.045 170 R HN 0.868 nan 8.270 nan 0.000 0.495 171 W N 2.740 124.036 121.300 -0.007 0.000 2.342 171 W HA -0.222 4.440 4.660 0.003 0.000 0.297 171 W C 0.764 177.367 176.519 0.140 0.000 1.213 171 W CA 1.485 58.855 57.345 0.042 0.000 1.251 171 W CB 0.133 29.591 29.460 -0.004 0.000 1.136 171 W HN 0.517 nan 8.180 nan 0.000 0.526 172 S N 0.560 116.301 115.700 0.067 0.000 2.399 172 S HA -0.291 4.180 4.470 0.002 0.000 0.231 172 S C 1.524 176.073 174.600 -0.085 0.000 1.022 172 S CA 1.823 59.979 58.200 -0.073 0.000 0.983 172 S CB -0.470 62.734 63.200 0.007 0.000 0.803 172 S HN 0.331 nan 8.310 nan 0.000 0.480 173 Q N 0.686 120.478 119.800 -0.014 0.000 2.124 173 Q HA -0.077 4.264 4.340 0.002 0.000 0.202 173 Q C 1.704 177.667 176.000 -0.061 0.000 0.977 173 Q CA 1.400 57.184 55.803 -0.032 0.000 0.850 173 Q CB -0.473 28.264 28.738 -0.002 0.000 0.901 173 Q HN 0.539 nan 8.270 nan 0.000 0.429 174 F N -0.022 119.826 119.950 -0.169 0.000 2.060 174 F HA -0.133 4.395 4.527 0.003 0.000 0.295 174 F C 1.562 177.185 175.800 -0.296 0.000 1.120 174 F CA 1.494 59.375 58.000 -0.199 0.000 1.205 174 F CB -0.478 38.458 39.000 -0.107 0.000 0.986 174 F HN 0.107 nan 8.300 nan 0.000 0.470 175 L N 0.143 121.068 121.223 -0.498 0.000 2.013 175 L HA -0.289 4.052 4.340 0.002 0.000 0.212 175 L C 2.562 179.207 176.870 -0.375 0.000 1.073 175 L CA 1.617 56.148 54.840 -0.515 0.000 0.753 175 L CB -1.012 40.774 42.059 -0.454 0.000 0.890 175 L HN 0.256 nan 8.230 nan 0.000 0.432 176 L N -0.334 120.719 121.223 -0.284 0.000 2.191 176 L HA -0.172 4.169 4.340 0.002 0.000 0.212 176 L C 2.856 179.571 176.870 -0.259 0.000 1.103 176 L CA 1.249 55.962 54.840 -0.213 0.000 0.769 176 L CB -0.616 41.356 42.059 -0.145 0.000 0.908 176 L HN 0.431 nan 8.230 nan 0.000 0.438 177 S N -1.478 113.997 115.700 -0.375 0.000 2.382 177 S HA -0.204 4.267 4.470 0.002 0.000 0.228 177 S C 1.918 176.229 174.600 -0.481 0.000 1.027 177 S CA 0.852 58.799 58.200 -0.422 0.000 0.991 177 S CB -0.490 62.412 63.200 -0.497 0.000 0.823 177 S HN 0.459 nan 8.310 nan 0.000 0.469 178 H N 1.700 120.531 119.070 -0.399 0.000 2.395 178 H HA 0.289 4.846 4.556 0.002 0.000 0.299 178 H C 2.682 177.838 175.328 -0.286 0.000 1.070 178 H CA 1.158 56.982 56.048 -0.372 0.000 1.356 178 H CB -0.863 28.644 29.762 -0.425 0.000 1.401 178 H HN 0.588 nan 8.280 nan 0.000 0.524 179 A N 0.819 123.557 122.820 -0.137 0.000 1.908 179 A HA -0.122 4.199 4.320 0.002 0.000 0.218 179 A C 2.798 180.313 177.584 -0.114 0.000 1.181 179 A CA 1.677 53.647 52.037 -0.112 0.000 0.627 179 A CB -0.870 18.066 19.000 -0.107 0.000 0.818 179 A HN 0.209 nan 8.150 nan 0.000 0.445 180 V N -0.284 119.544 119.914 -0.144 0.000 2.358 180 V HA -0.223 3.898 4.120 0.002 0.000 0.246 180 V C 3.026 179.033 176.094 -0.145 0.000 1.047 180 V CA 1.878 64.103 62.300 -0.125 0.000 1.035 180 V CB -1.139 30.607 31.823 -0.130 0.000 0.658 180 V HN 0.622 nan 8.190 nan 0.000 0.452 181 A N -0.341 122.331 122.820 -0.247 0.000 1.898 181 A HA -0.113 4.208 4.320 0.002 0.000 0.216 181 A C 2.193 179.622 177.584 -0.259 0.000 1.181 181 A CA 1.530 53.317 52.037 -0.417 0.000 0.620 181 A CB -0.492 17.975 19.000 -0.889 0.000 0.819 181 A HN 0.495 nan 8.150 nan 0.000 0.442 182 L N -0.739 120.388 121.223 -0.161 0.000 2.131 182 L HA -0.145 4.196 4.340 0.002 0.000 0.210 182 L C 2.660 179.555 176.870 0.040 0.000 1.092 182 L CA 1.596 56.434 54.840 -0.003 0.000 0.759 182 L CB -0.721 41.327 42.059 -0.018 0.000 0.903 182 L HN 0.326 nan 8.230 nan 0.000 0.435 183 T N -0.750 113.802 114.554 -0.003 0.000 2.867 183 T HA -0.138 4.213 4.350 0.002 0.000 0.268 183 T C 2.013 176.736 174.700 0.039 0.000 1.057 183 T CA 1.058 63.165 62.100 0.012 0.000 1.136 183 T CB -0.084 68.774 68.868 -0.017 0.000 0.874 183 T HN 0.305 nan 8.240 nan 0.000 0.466 184 R N 0.802 121.331 120.500 0.048 0.000 2.115 184 R HA -0.027 4.314 4.340 0.002 0.000 0.226 184 R C 2.043 178.426 176.300 0.138 0.000 1.100 184 R CA 1.100 57.248 56.100 0.080 0.000 0.980 184 R CB -0.164 30.188 30.300 0.086 0.000 0.875 184 R HN 0.349 nan 8.270 nan 0.000 0.445 185 D N 0.115 120.631 120.400 0.192 0.000 2.117 185 D HA -0.139 4.502 4.640 0.002 0.000 0.197 185 D C 1.826 178.309 176.300 0.306 0.000 0.987 185 D CA 1.291 55.462 54.000 0.285 0.000 0.829 185 D CB -0.251 40.713 40.800 0.274 0.000 0.961 185 D HN 0.034 nan 8.370 nan 0.000 0.460 186 S N 0.152 115.963 115.700 0.184 0.000 2.382 186 S HA -0.199 4.272 4.470 0.002 0.000 0.228 186 S C 1.837 176.457 174.600 0.032 0.000 1.027 186 S CA 1.402 59.662 58.200 0.100 0.000 0.991 186 S CB -0.034 63.205 63.200 0.064 0.000 0.823 186 S HN 0.232 nan 8.310 nan 0.000 0.469 187 E N 0.257 120.485 120.200 0.047 0.000 2.072 187 E HA -0.103 4.248 4.350 0.002 0.000 0.191 187 E C 2.411 179.018 176.600 0.012 0.000 0.985 187 E CA 0.806 57.219 56.400 0.022 0.000 0.801 187 E CB -0.044 29.675 29.700 0.031 0.000 0.750 187 E HN 0.458 nan 8.360 nan 0.000 0.452 188 R N 0.293 120.824 120.500 0.052 0.000 2.120 188 R HA -0.090 4.251 4.340 0.002 0.000 0.234 188 R C 2.591 178.840 176.300 -0.084 0.000 1.123 188 R CA 0.881 57.013 56.100 0.053 0.000 0.975 188 R CB -0.297 30.111 30.300 0.179 0.000 0.866 188 R HN 0.307 nan 8.270 nan 0.000 0.446 189 L N 0.040 121.111 121.223 -0.254 0.000 2.046 189 L HA -0.080 4.261 4.340 0.002 0.000 0.208 189 L C 2.135 178.846 176.870 -0.266 0.000 1.077 189 L CA 1.697 56.179 54.840 -0.597 0.000 0.747 189 L CB -0.564 41.079 42.059 -0.694 0.000 0.896 189 L HN 0.257 nan 8.230 nan 0.000 0.432 190 G N -0.802 107.913 108.800 -0.142 0.000 2.408 190 G HA2 -0.245 3.716 3.960 0.002 0.000 0.217 190 G HA3 -0.245 3.716 3.960 0.002 0.000 0.217 190 G C 1.304 176.172 174.900 -0.053 0.000 1.150 190 G CA 0.703 45.753 45.100 -0.082 0.000 0.776 190 G HN 0.471 nan 8.290 nan 0.000 0.542 191 E N -0.156 120.021 120.200 -0.039 0.000 2.077 191 E HA -0.080 4.271 4.350 0.002 0.000 0.193 191 E C 2.723 179.324 176.600 0.003 0.000 0.989 191 E CA 0.950 57.346 56.400 -0.008 0.000 0.800 191 E CB -0.116 29.590 29.700 0.010 0.000 0.746 191 E HN 0.273 nan 8.360 nan 0.000 0.452 192 V N 1.401 121.309 119.914 -0.010 0.000 2.343 192 V HA -0.270 3.851 4.120 0.002 0.000 0.247 192 V C 2.328 178.443 176.094 0.035 0.000 1.051 192 V CA 1.760 64.082 62.300 0.037 0.000 1.036 192 V CB -0.381 31.474 31.823 0.053 0.000 0.654 192 V HN 0.195 nan 8.190 nan 0.000 0.451 193 K N -0.101 120.286 120.400 -0.021 0.000 2.063 193 K HA -0.228 4.093 4.320 0.002 0.000 0.208 193 K C 2.284 178.883 176.600 -0.001 0.000 1.048 193 K CA 1.337 57.609 56.287 -0.025 0.000 0.928 193 K CB -0.056 32.405 32.500 -0.065 0.000 0.713 193 K HN 0.267 nan 8.250 nan 0.000 0.442 194 K N 0.433 120.833 120.400 0.001 0.000 2.063 194 K HA -0.149 4.172 4.320 0.002 0.000 0.208 194 K C 2.119 178.738 176.600 0.031 0.000 1.048 194 K CA 1.380 57.674 56.287 0.012 0.000 0.928 194 K CB -0.191 32.314 32.500 0.009 0.000 0.713 194 K HN 0.244 nan 8.250 nan 0.000 0.442 195 R N 0.164 120.688 120.500 0.041 0.000 2.193 195 R HA 0.144 4.485 4.340 0.002 0.000 0.213 195 R C 2.305 178.632 176.300 0.044 0.000 1.055 195 R CA 0.345 56.475 56.100 0.049 0.000 0.995 195 R CB -0.023 30.319 30.300 0.071 0.000 0.893 195 R HN 0.147 nan 8.270 nan 0.000 0.459 196 I N 0.713 121.315 120.570 0.054 0.000 2.617 196 I HA -0.156 4.015 4.170 0.002 0.000 0.256 196 I C 1.094 177.258 176.117 0.078 0.000 1.167 196 I CA 0.557 61.871 61.300 0.024 0.000 1.469 196 I CB -0.004 38.029 38.000 0.056 0.000 1.098 196 I HN 0.035 nan 8.210 nan 0.000 0.436 197 N N 1.144 119.908 118.700 0.106 0.000 2.509 197 N HA 0.042 4.783 4.740 0.002 0.000 0.239 197 N C -0.880 174.823 175.510 0.323 0.000 1.215 197 N CA 0.205 53.384 53.050 0.214 0.000 0.882 197 N CB -0.126 38.397 38.487 0.060 0.000 1.189 197 N HN -0.090 nan 8.380 nan 0.000 0.490 198 V N 1.556 121.579 119.914 0.182 0.000 2.487 198 V HA 0.312 4.433 4.120 0.002 0.000 0.298 198 V C -0.112 175.705 176.094 -0.462 0.000 1.028 198 V CA -1.159 61.114 62.300 -0.044 0.000 0.860 198 V CB 1.786 33.567 31.823 -0.070 0.000 0.991 198 V HN 0.104 nan 8.190 nan 0.000 0.427 199 L N 9.201 130.022 121.223 -0.670 0.000 2.361 199 L HA 0.441 4.782 4.340 0.002 0.000 0.278 199 L C -1.492 175.059 176.870 -0.532 0.000 1.113 199 L CA -0.503 53.706 54.840 -1.051 0.000 0.849 199 L CB 1.151 42.786 42.059 -0.707 0.000 1.155 199 L HN 0.422 nan 8.230 nan 0.000 0.452 200 P HA 0.005 nan 4.420 nan 0.000 0.252 200 P C 0.480 177.660 177.300 -0.199 0.000 1.211 200 P CA 0.016 62.950 63.100 -0.276 0.000 0.824 200 P CB 0.474 32.022 31.700 -0.254 0.000 1.077 201 L N 0.791 121.885 121.223 -0.215 0.000 2.525 201 L HA 0.139 4.480 4.340 0.002 0.000 0.278 201 L C 1.328 178.156 176.870 -0.069 0.000 1.218 201 L CA 1.920 56.685 54.840 -0.125 0.000 0.878 201 L CB -0.429 41.587 42.059 -0.073 0.000 1.127 201 L HN 0.352 nan 8.230 nan 0.000 0.492 202 G N 2.333 111.109 108.800 -0.039 0.000 2.148 202 G HA2 -0.232 3.729 3.960 0.002 0.000 0.203 202 G HA3 -0.232 3.729 3.960 0.002 0.000 0.203 202 G C 0.711 175.593 174.900 -0.030 0.000 0.993 202 G CA 0.285 45.390 45.100 0.008 0.000 0.661 202 G HN 0.631 nan 8.290 nan 0.000 0.518 203 S N -0.149 115.514 115.700 -0.062 0.000 2.503 203 S HA 0.472 4.943 4.470 0.002 0.000 0.215 203 S C 1.891 176.454 174.600 -0.061 0.000 1.003 203 S CA 1.273 59.439 58.200 -0.057 0.000 0.910 203 S CB 0.277 63.439 63.200 -0.063 0.000 0.790 203 S HN 2.225 nan 8.310 nan 0.000 0.514 204 G N 1.712 110.460 108.800 -0.086 0.000 2.575 204 G HA2 -0.201 3.760 3.960 0.002 0.000 0.267 204 G HA3 -0.201 3.760 3.960 0.002 0.000 0.267 204 G C 0.894 175.730 174.900 -0.107 0.000 1.264 204 G CA -0.043 44.994 45.100 -0.105 0.000 0.935 204 G HN 0.666 nan 8.290 nan 0.000 0.568 205 A N -1.074 121.686 122.820 -0.100 0.000 1.930 205 A HA 0.405 4.726 4.320 0.002 0.000 0.217 205 A C 2.218 179.775 177.584 -0.044 0.000 1.175 205 A CA 3.430 55.411 52.037 -0.092 0.000 0.627 205 A CB -0.382 18.570 19.000 -0.080 0.000 0.815 205 A HN 2.188 nan 8.150 nan 0.000 0.443 206 L N -7.246 113.959 121.223 -0.029 0.000 3.727 206 L HA 0.394 4.735 4.340 0.002 0.000 0.408 206 L C 1.516 178.381 176.870 -0.008 0.000 0.948 206 L CA 0.584 55.421 54.840 -0.004 0.000 1.783 206 L CB -0.446 41.623 42.059 0.017 0.000 2.507 206 L HN 0.021 nan 8.230 nan 0.000 0.572 207 A N 1.029 123.840 122.820 -0.015 0.000 2.275 207 A HA 0.719 5.040 4.320 0.002 0.000 0.212 207 A C 1.214 178.788 177.584 -0.017 0.000 1.201 207 A CA 0.893 52.922 52.037 -0.013 0.000 0.843 207 A CB -0.350 18.643 19.000 -0.012 0.000 0.873 207 A HN 1.261 nan 8.150 nan 0.000 0.492 208 G N -0.628 108.158 108.800 -0.024 0.000 2.384 208 G HA2 -0.028 3.933 3.960 0.002 0.000 0.668 208 G HA3 -0.028 3.933 3.960 0.002 0.000 0.668 208 G C -0.705 174.180 174.900 -0.024 0.000 1.280 208 G CA -0.345 44.741 45.100 -0.024 0.000 0.992 208 G HN 0.612 nan 8.290 nan 0.000 0.512 209 N N 1.064 119.757 118.700 -0.013 0.000 2.455 209 N HA 0.637 5.378 4.740 0.002 0.000 0.280 209 N C -0.477 175.033 175.510 0.000 0.000 1.055 209 N CA -1.213 51.838 53.050 0.002 0.000 0.961 209 N CB 1.556 40.064 38.487 0.035 0.000 1.121 209 N HN 0.368 nan 8.380 nan 0.000 0.476 210 P HA 0.076 nan 4.420 nan 0.000 0.255 210 P C 0.000 177.299 177.300 -0.003 0.000 1.248 210 P CA 0.568 63.664 63.100 -0.006 0.000 0.807 210 P CB 0.343 32.036 31.700 -0.011 0.000 1.150 211 L N -0.355 120.869 121.223 0.003 0.000 2.965 211 L HA 0.265 4.606 4.340 0.002 0.000 0.254 211 L C 0.062 176.925 176.870 -0.012 0.000 1.220 211 L CA -0.258 54.579 54.840 -0.005 0.000 1.023 211 L CB -0.528 41.529 42.059 -0.004 0.000 1.355 211 L HN -0.152 nan 8.230 nan 0.000 0.545 212 D N 1.542 121.936 120.400 -0.009 0.000 2.686 212 D HA -0.223 4.418 4.640 0.002 0.000 0.235 212 D C 0.096 176.384 176.300 -0.020 0.000 1.160 212 D CA 0.603 54.596 54.000 -0.012 0.000 0.645 212 D CB -0.584 40.208 40.800 -0.014 0.000 1.039 212 D HN 0.169 nan 8.370 nan 0.000 0.423 213 I N 0.718 121.277 120.570 -0.017 0.000 2.836 213 I HA 0.030 4.201 4.170 0.002 0.000 0.285 213 I C 0.604 176.706 176.117 -0.025 0.000 1.174 213 I CA 0.001 61.279 61.300 -0.038 0.000 1.405 213 I CB 0.672 38.664 38.000 -0.012 0.000 1.385 213 I HN -0.022 nan 8.210 nan 0.000 0.594 214 D N 6.679 127.057 120.400 -0.037 0.000 2.402 214 D HA 0.123 4.764 4.640 0.002 0.000 0.235 214 D C 1.051 177.346 176.300 -0.008 0.000 1.226 214 D CA 0.078 54.065 54.000 -0.021 0.000 0.918 214 D CB 0.449 41.234 40.800 -0.024 0.000 1.043 214 D HN 0.497 nan 8.370 nan 0.000 0.506 215 R N 2.196 122.695 120.500 -0.001 0.000 2.092 215 R HA -0.161 4.180 4.340 0.002 0.000 0.231 215 R C 1.636 177.941 176.300 0.008 0.000 1.119 215 R CA 0.918 57.021 56.100 0.004 0.000 0.970 215 R CB 0.085 30.380 30.300 -0.008 0.000 0.864 215 R HN 0.349 nan 8.270 nan 0.000 0.440 216 E N 1.460 121.663 120.200 0.005 0.000 2.160 216 E HA -0.213 4.138 4.350 0.002 0.000 0.195 216 E C 1.853 178.465 176.600 0.020 0.000 0.991 216 E CA 1.399 57.806 56.400 0.012 0.000 0.810 216 E CB -0.157 29.546 29.700 0.006 0.000 0.742 216 E HN 0.285 nan 8.360 nan 0.000 0.466 217 M N -0.459 119.149 119.600 0.014 0.000 2.156 217 M HA -0.062 4.419 4.480 0.002 0.000 0.264 217 M C 1.858 178.179 176.300 0.035 0.000 1.067 217 M CA 1.294 56.604 55.300 0.016 0.000 1.131 217 M CB -0.026 32.573 32.600 -0.001 0.000 1.368 217 M HN 0.234 nan 8.290 nan 0.000 0.416 218 L N -0.293 120.956 121.223 0.043 0.000 2.083 218 L HA -0.204 4.137 4.340 0.002 0.000 0.209 218 L C 2.785 179.723 176.870 0.113 0.000 1.083 218 L CA 1.268 56.155 54.840 0.078 0.000 0.752 218 L CB -0.842 41.267 42.059 0.084 0.000 0.899 218 L HN 0.399 nan 8.230 nan 0.000 0.433 219 R N -0.250 120.307 120.500 0.095 0.000 2.080 219 R HA -0.202 4.139 4.340 0.002 0.000 0.236 219 R C 2.576 178.958 176.300 0.137 0.000 1.137 219 R CA 1.997 58.186 56.100 0.148 0.000 0.943 219 R CB -0.340 30.015 30.300 0.091 0.000 0.846 219 R HN 0.222 nan 8.270 nan 0.000 0.431 220 S N 0.302 116.047 115.700 0.076 0.000 2.353 220 S HA -0.145 4.326 4.470 0.002 0.000 0.222 220 S C 1.757 176.382 174.600 0.041 0.000 1.035 220 S CA 1.340 59.568 58.200 0.047 0.000 1.025 220 S CB -0.182 63.035 63.200 0.028 0.000 0.902 220 S HN 0.364 nan 8.310 nan 0.000 0.440 221 E N 0.808 121.038 120.200 0.049 0.000 2.085 221 E HA -0.093 4.258 4.350 0.002 0.000 0.194 221 E C 1.983 178.610 176.600 0.045 0.000 0.994 221 E CA 1.022 57.448 56.400 0.043 0.000 0.801 221 E CB -0.371 29.359 29.700 0.050 0.000 0.743 221 E HN 0.539 nan 8.360 nan 0.000 0.453 222 L N 0.158 121.436 121.223 0.091 0.000 2.558 222 L HA 0.035 4.376 4.340 0.002 0.000 0.225 222 L C 0.144 176.950 176.870 -0.107 0.000 1.128 222 L CA 0.183 55.065 54.840 0.069 0.000 0.868 222 L CB -0.163 42.073 42.059 0.294 0.000 1.006 222 L HN 0.076 nan 8.230 nan 0.000 0.454 223 E N -0.672 119.498 120.200 -0.050 0.000 2.416 223 E HA -0.225 4.126 4.350 0.002 0.000 0.249 223 E C -0.313 176.153 176.600 -0.223 0.000 1.124 223 E CA 0.136 56.463 56.400 -0.121 0.000 0.732 223 E CB -1.546 28.063 29.700 -0.152 0.000 1.286 223 E HN 0.256 nan 8.360 nan 0.000 0.394 224 F N -0.393 119.542 119.950 -0.025 0.000 2.370 224 F HA 0.420 4.947 4.527 0.000 0.000 0.324 224 F C 1.592 177.375 175.800 -0.029 0.000 1.116 224 F CA 0.240 58.220 58.000 -0.034 0.000 1.123 224 F CB 0.824 39.801 39.000 -0.038 0.000 1.238 224 F HN 0.050 nan 8.300 nan 0.000 0.536 225 A N 0.813 123.731 122.820 0.164 0.000 2.021 225 A HA 0.201 4.522 4.320 0.002 0.000 0.216 225 A C 0.625 178.253 177.584 0.074 0.000 1.163 225 A CA 1.253 53.339 52.037 0.081 0.000 0.676 225 A CB -0.410 18.620 19.000 0.051 0.000 0.818 225 A HN 0.684 nan 8.150 nan 0.000 0.453 226 S N -1.802 113.951 115.700 0.090 0.000 2.703 226 S HA 0.632 5.103 4.470 0.002 0.000 0.273 226 S C -0.745 173.859 174.600 0.006 0.000 1.178 226 S CA -0.220 58.003 58.200 0.039 0.000 0.838 226 S CB 0.398 63.609 63.200 0.019 0.000 1.178 226 S HN 0.995 nan 8.310 nan 0.000 0.494 227 I N -0.279 120.274 120.570 -0.029 0.000 2.740 227 I HA 0.766 4.937 4.170 0.002 0.000 0.303 227 I C -0.003 176.065 176.117 -0.081 0.000 1.044 227 I CA -0.853 60.399 61.300 -0.080 0.000 1.064 227 I CB 2.231 40.195 38.000 -0.060 0.000 1.249 227 I HN 0.870 nan 8.210 nan 0.000 0.433 228 S N 4.618 120.248 115.700 -0.117 0.000 2.558 228 S HA 0.164 4.635 4.470 0.002 0.000 0.288 228 S C 0.741 175.309 174.600 -0.055 0.000 1.318 228 S CA -0.449 57.697 58.200 -0.089 0.000 1.056 228 S CB 0.808 63.943 63.200 -0.109 0.000 0.853 228 S HN 0.717 nan 8.310 nan 0.000 0.505 229 L N 1.104 122.305 121.223 -0.036 0.000 2.307 229 L HA 0.234 4.575 4.340 0.002 0.000 0.211 229 L C 0.969 177.827 176.870 -0.019 0.000 1.099 229 L CA 0.500 55.326 54.840 -0.023 0.000 0.816 229 L CB -0.497 41.554 42.059 -0.014 0.000 0.952 229 L HN 0.796 nan 8.230 nan 0.000 0.455 230 N N -1.221 117.468 118.700 -0.019 0.000 2.454 230 N HA 0.062 4.803 4.740 0.002 0.000 0.291 230 N C 0.865 176.366 175.510 -0.015 0.000 1.079 230 N CA 0.115 53.157 53.050 -0.013 0.000 0.893 230 N CB 1.358 39.842 38.487 -0.005 0.000 1.512 230 N HN -0.017 nan 8.380 nan 0.000 0.497 231 S N 3.823 119.513 115.700 -0.016 0.000 2.365 231 S HA -0.286 4.185 4.470 0.002 0.000 0.225 231 S C 1.702 176.299 174.600 -0.006 0.000 1.039 231 S CA 1.139 59.328 58.200 -0.018 0.000 1.033 231 S CB -0.400 62.788 63.200 -0.019 0.000 0.887 231 S HN 0.678 nan 8.310 nan 0.000 0.447 232 M N 1.702 121.303 119.600 0.003 0.000 2.080 232 M HA -0.122 4.359 4.480 0.002 0.000 0.260 232 M C 2.355 178.670 176.300 0.023 0.000 1.068 232 M CA 2.243 57.553 55.300 0.015 0.000 1.109 232 M CB -0.800 31.809 32.600 0.014 0.000 1.342 232 M HN 0.459 nan 8.290 nan 0.000 0.405 233 D N 0.377 120.788 120.400 0.017 0.000 2.117 233 D HA -0.138 4.503 4.640 0.002 0.000 0.197 233 D C 1.869 178.190 176.300 0.034 0.000 0.987 233 D CA 1.756 55.771 54.000 0.026 0.000 0.829 233 D CB 0.053 40.864 40.800 0.019 0.000 0.961 233 D HN 0.292 nan 8.370 nan 0.000 0.460 234 A N -0.066 122.761 122.820 0.011 0.000 2.024 234 A HA -0.098 4.223 4.320 0.002 0.000 0.220 234 A C 2.072 179.668 177.584 0.021 0.000 1.164 234 A CA 1.015 53.049 52.037 -0.005 0.000 0.643 234 A CB -0.471 18.500 19.000 -0.048 0.000 0.806 234 A HN 0.373 nan 8.150 nan 0.000 0.451 235 I N -0.791 119.802 120.570 0.039 0.000 2.867 235 I HA -0.003 4.168 4.170 0.002 0.000 0.265 235 I C 2.191 178.388 176.117 0.134 0.000 1.162 235 I CA 1.162 62.507 61.300 0.076 0.000 1.471 235 I CB -0.974 37.062 38.000 0.060 0.000 1.123 235 I HN 0.191 nan 8.210 nan 0.000 0.440 236 S N 0.420 116.180 115.700 0.100 0.000 2.404 236 S HA -0.032 4.439 4.470 0.002 0.000 0.223 236 S C 0.720 175.365 174.600 0.074 0.000 1.040 236 S CA 0.036 58.284 58.200 0.081 0.000 0.957 236 S CB -0.170 63.058 63.200 0.048 0.000 0.826 236 S HN 0.584 nan 8.310 nan 0.000 0.491 237 E N 1.372 121.629 120.200 0.094 0.000 2.390 237 E HA 0.228 4.579 4.350 0.002 0.000 0.261 237 E C 0.197 176.892 176.600 0.157 0.000 1.076 237 E CA -0.170 56.292 56.400 0.104 0.000 0.905 237 E CB 0.403 30.171 29.700 0.114 0.000 0.984 237 E HN -0.130 nan 8.360 nan 0.000 0.427 238 R N 2.012 122.536 120.500 0.040 0.000 2.615 238 R HA 0.120 4.461 4.340 0.002 0.000 0.448 238 R C -0.345 175.839 176.300 -0.194 0.000 1.009 238 R CA -0.207 55.782 56.100 -0.184 0.000 1.111 238 R CB -0.055 30.101 30.300 -0.240 0.000 1.461 238 R HN 0.622 nan 8.270 nan 0.000 0.587 239 D N 0.825 121.246 120.400 0.035 0.000 2.149 239 D HA -0.214 4.427 4.640 0.002 0.000 0.194 239 D C 1.637 177.993 176.300 0.093 0.000 1.001 239 D CA 1.572 55.612 54.000 0.068 0.000 0.849 239 D CB -0.251 40.624 40.800 0.126 0.000 0.939 239 D HN 0.369 nan 8.370 nan 0.000 0.449 240 F N -0.209 119.779 119.950 0.063 0.000 2.161 240 F HA -0.152 4.375 4.527 0.001 0.000 0.300 240 F C 2.077 177.956 175.800 0.132 0.000 1.089 240 F CA 0.635 58.686 58.000 0.085 0.000 1.282 240 F CB -0.952 38.085 39.000 0.060 0.000 1.010 240 F HN -0.145 nan 8.300 nan 0.000 0.485 241 V N 0.761 120.320 119.914 -0.592 0.000 2.283 241 V HA -0.217 3.904 4.120 0.002 0.000 0.243 241 V C 2.589 178.665 176.094 -0.029 0.000 1.039 241 V CA 1.548 63.651 62.300 -0.327 0.000 1.016 241 V CB -0.603 30.902 31.823 -0.530 0.000 0.650 241 V HN 0.365 nan 8.190 nan 0.000 0.449 242 V N 1.450 121.320 119.914 -0.073 0.000 2.252 242 V HA -0.331 3.790 4.120 0.002 0.000 0.249 242 V C 2.575 178.705 176.094 0.060 0.000 1.056 242 V CA 2.600 64.896 62.300 -0.007 0.000 1.022 242 V CB -0.963 30.851 31.823 -0.015 0.000 0.641 242 V HN 0.875 nan 8.190 nan 0.000 0.445 243 E N -0.089 120.172 120.200 0.102 0.000 2.204 243 E HA -0.257 4.094 4.350 0.002 0.000 0.194 243 E C 2.127 178.856 176.600 0.215 0.000 0.989 243 E CA 1.548 58.029 56.400 0.136 0.000 0.824 243 E CB -0.521 29.259 29.700 0.134 0.000 0.756 243 E HN 0.596 nan 8.360 nan 0.000 0.477 244 F N 1.981 122.013 119.950 0.136 0.000 2.259 244 F HA 0.055 4.582 4.527 0.001 0.000 0.298 244 F C 1.761 177.703 175.800 0.236 0.000 1.088 244 F CA 1.004 59.144 58.000 0.232 0.000 1.358 244 F CB 0.024 39.135 39.000 0.184 0.000 1.040 244 F HN -0.075 nan 8.300 nan 0.000 0.505 245 L N -0.707 120.499 121.223 -0.028 0.000 2.217 245 L HA -0.119 4.222 4.340 0.002 0.000 0.211 245 L C 2.418 179.196 176.870 -0.152 0.000 1.107 245 L CA 0.947 55.682 54.840 -0.175 0.000 0.783 245 L CB -0.774 41.260 42.059 -0.043 0.000 0.919 245 L HN 0.090 nan 8.230 nan 0.000 0.442 246 S N 0.143 115.815 115.700 -0.048 0.000 2.357 246 S HA -0.152 4.319 4.470 0.002 0.000 0.221 246 S C 1.751 176.306 174.600 -0.076 0.000 1.031 246 S CA 1.108 59.289 58.200 -0.032 0.000 0.982 246 S CB -0.330 62.885 63.200 0.025 0.000 0.853 246 S HN 0.439 nan 8.310 nan 0.000 0.458 247 F N 3.229 123.101 119.950 -0.130 0.000 2.043 247 F HA -0.166 4.362 4.527 0.002 0.000 0.297 247 F C 2.305 177.986 175.800 -0.198 0.000 1.121 247 F CA 1.290 59.212 58.000 -0.131 0.000 1.199 247 F CB -1.101 37.845 39.000 -0.089 0.000 0.968 247 F HN 0.157 nan 8.300 nan 0.000 0.478 248 A N -0.029 122.159 122.820 -1.054 0.000 1.908 248 A HA -0.188 4.133 4.320 0.002 0.000 0.218 248 A C 2.202 179.438 177.584 -0.581 0.000 1.181 248 A CA 2.492 53.904 52.037 -1.042 0.000 0.627 248 A CB -1.576 16.940 19.000 -0.806 0.000 0.818 248 A HN 0.551 nan 8.150 nan 0.000 0.445 249 T N -0.008 114.324 114.554 -0.371 0.000 2.777 249 T HA -0.061 4.290 4.350 0.002 0.000 0.266 249 T C 1.820 176.356 174.700 -0.272 0.000 1.040 249 T CA 1.229 63.197 62.100 -0.220 0.000 1.141 249 T CB -0.294 68.533 68.868 -0.069 0.000 0.868 249 T HN 0.346 nan 8.240 nan 0.000 0.444 250 L N 0.746 121.782 121.223 -0.310 0.000 2.141 250 L HA -0.014 4.327 4.340 0.002 0.000 0.209 250 L C 2.331 178.885 176.870 -0.528 0.000 1.094 250 L CA 0.958 55.569 54.840 -0.382 0.000 0.763 250 L CB -0.298 41.577 42.059 -0.307 0.000 0.908 250 L HN 0.263 nan 8.230 nan 0.000 0.437 251 L N -0.445 120.494 121.223 -0.474 0.000 2.046 251 L HA -0.221 4.120 4.340 0.002 0.000 0.208 251 L C 2.380 179.093 176.870 -0.261 0.000 1.077 251 L CA 1.801 56.422 54.840 -0.364 0.000 0.747 251 L CB -0.468 41.284 42.059 -0.510 0.000 0.896 251 L HN 0.170 nan 8.230 nan 0.000 0.432 252 M N -0.644 118.790 119.600 -0.276 0.000 2.229 252 M HA -0.142 4.339 4.480 0.002 0.000 0.264 252 M C 2.272 178.479 176.300 -0.155 0.000 1.063 252 M CA 1.221 56.411 55.300 -0.182 0.000 1.114 252 M CB -1.020 31.485 32.600 -0.159 0.000 1.387 252 M HN 0.265 nan 8.290 nan 0.000 0.420 253 I N -0.554 119.890 120.570 -0.210 0.000 2.226 253 I HA -0.296 3.875 4.170 0.002 0.000 0.245 253 I C 2.292 178.363 176.117 -0.078 0.000 1.100 253 I CA 1.647 62.841 61.300 -0.177 0.000 1.374 253 I CB -1.464 36.389 38.000 -0.245 0.000 1.057 253 I HN 0.418 nan 8.210 nan 0.000 0.413 254 H N 0.290 119.300 119.070 -0.100 0.000 2.321 254 H HA -0.118 4.438 4.556 0.001 0.000 0.300 254 H C 2.386 177.650 175.328 -0.107 0.000 1.087 254 H CA 0.936 56.938 56.048 -0.077 0.000 1.319 254 H CB 0.005 29.727 29.762 -0.067 0.000 1.379 254 H HN 0.212 nan 8.280 nan 0.000 0.501 255 L N 0.538 121.762 121.223 0.002 0.000 2.131 255 L HA -0.168 4.173 4.340 0.002 0.000 0.210 255 L C 2.717 179.527 176.870 -0.098 0.000 1.092 255 L CA 1.154 55.946 54.840 -0.081 0.000 0.759 255 L CB -0.383 41.625 42.059 -0.085 0.000 0.903 255 L HN 0.386 nan 8.230 nan 0.000 0.435 256 S N -0.381 115.272 115.700 -0.078 0.000 2.387 256 S HA -0.215 4.256 4.470 0.002 0.000 0.226 256 S C 2.023 176.578 174.600 -0.075 0.000 1.026 256 S CA 0.922 59.075 58.200 -0.078 0.000 0.972 256 S CB -0.201 62.953 63.200 -0.076 0.000 0.814 256 S HN 0.368 nan 8.310 nan 0.000 0.477 257 K N 0.760 121.130 120.400 -0.050 0.000 2.025 257 K HA -0.001 4.320 4.320 0.002 0.000 0.207 257 K C 2.378 178.937 176.600 -0.068 0.000 1.049 257 K CA 1.403 57.678 56.287 -0.020 0.000 0.933 257 K CB -0.317 32.218 32.500 0.058 0.000 0.714 257 K HN 0.494 nan 8.250 nan 0.000 0.438 258 M N 0.297 119.769 119.600 -0.212 0.000 2.175 258 M HA -0.127 4.354 4.480 0.002 0.000 0.264 258 M C 1.997 178.146 176.300 -0.252 0.000 1.063 258 M CA 1.572 56.577 55.300 -0.491 0.000 1.119 258 M CB -0.070 32.072 32.600 -0.764 0.000 1.377 258 M HN 0.261 nan 8.290 nan 0.000 0.415 259 A N 0.093 122.806 122.820 -0.178 0.000 1.877 259 A HA -0.239 4.082 4.320 0.002 0.000 0.216 259 A C 1.823 179.329 177.584 -0.129 0.000 1.186 259 A CA 2.142 54.101 52.037 -0.130 0.000 0.620 259 A CB -0.903 18.036 19.000 -0.102 0.000 0.822 259 A HN 0.621 nan 8.150 nan 0.000 0.443 260 E N 0.512 120.636 120.200 -0.126 0.000 2.049 260 E HA -0.238 4.113 4.350 0.002 0.000 0.198 260 E C 1.529 177.990 176.600 -0.231 0.000 1.007 260 E CA 1.928 58.241 56.400 -0.145 0.000 0.809 260 E CB -0.292 29.341 29.700 -0.112 0.000 0.749 260 E HN 0.547 nan 8.360 nan 0.000 0.450 261 D N -0.412 119.848 120.400 -0.234 0.000 2.106 261 D HA -0.174 4.467 4.640 0.002 0.000 0.191 261 D C 1.874 177.794 176.300 -0.633 0.000 0.997 261 D CA 1.172 54.892 54.000 -0.467 0.000 0.834 261 D CB -0.255 40.496 40.800 -0.081 0.000 0.956 261 D HN 0.198 nan 8.370 nan 0.000 0.448 262 L N 0.571 121.649 121.223 -0.241 0.000 2.201 262 L HA -0.036 4.305 4.340 0.002 0.000 0.212 262 L C 2.410 179.231 176.870 -0.083 0.000 1.105 262 L CA 0.755 55.557 54.840 -0.064 0.000 0.775 262 L CB -0.587 41.497 42.059 0.042 0.000 0.913 262 L HN 0.086 nan 8.230 nan 0.000 0.440 263 I N -1.094 119.393 120.570 -0.139 0.000 2.286 263 I HA -0.277 3.894 4.170 0.002 0.000 0.245 263 I C 2.294 178.304 176.117 -0.178 0.000 1.104 263 I CA 1.179 62.410 61.300 -0.115 0.000 1.397 263 I CB -0.100 37.836 38.000 -0.107 0.000 1.072 263 I HN 0.155 nan 8.210 nan 0.000 0.417 264 I N -0.406 119.974 120.570 -0.316 0.000 2.286 264 I HA -0.288 3.883 4.170 0.002 0.000 0.245 264 I C 2.339 178.132 176.117 -0.539 0.000 1.104 264 I CA 1.205 62.209 61.300 -0.493 0.000 1.397 264 I CB -0.419 37.170 38.000 -0.685 0.000 1.072 264 I HN 0.168 nan 8.210 nan 0.000 0.417 265 Y N 0.991 121.004 120.300 -0.477 0.000 2.403 265 Y HA -0.172 4.379 4.550 0.001 0.000 0.291 265 Y C 2.925 178.737 175.900 -0.145 0.000 1.143 265 Y CA 0.940 58.859 58.100 -0.302 0.000 1.257 265 Y CB -1.182 37.300 38.460 0.037 0.000 0.984 265 Y HN 0.288 nan 8.280 nan 0.000 0.550 266 S N -0.808 114.917 115.700 0.041 0.000 2.603 266 S HA -0.012 4.459 4.470 0.002 0.000 0.220 266 S C 0.944 175.546 174.600 0.004 0.000 0.967 266 S CA 0.072 58.295 58.200 0.038 0.000 0.920 266 S CB -1.202 62.020 63.200 0.037 0.000 0.773 266 S HN 0.396 nan 8.310 nan 0.000 0.529 267 T N 0.698 115.235 114.554 -0.028 0.000 2.855 267 T HA 0.256 4.607 4.350 0.002 0.000 0.314 267 T C 1.436 176.151 174.700 0.025 0.000 1.077 267 T CA 0.056 62.158 62.100 0.003 0.000 1.095 267 T CB 1.028 69.917 68.868 0.035 0.000 0.987 267 T HN 0.371 nan 8.240 nan 0.000 0.546 268 S N 0.635 116.346 115.700 0.019 0.000 2.399 268 S HA -0.142 4.329 4.470 0.002 0.000 0.231 268 S C 1.601 176.200 174.600 -0.001 0.000 1.022 268 S CA 0.918 59.123 58.200 0.007 0.000 0.983 268 S CB -0.601 62.602 63.200 0.004 0.000 0.803 268 S HN 0.792 nan 8.310 nan 0.000 0.480 269 E N 0.792 121.006 120.200 0.023 0.000 2.106 269 E HA 0.082 4.433 4.350 0.002 0.000 0.192 269 E C 1.461 178.002 176.600 -0.098 0.000 0.984 269 E CA 1.182 57.579 56.400 -0.006 0.000 0.806 269 E CB -0.379 29.354 29.700 0.055 0.000 0.750 269 E HN 0.629 nan 8.360 nan 0.000 0.458 270 F N -0.755 119.020 119.950 -0.292 0.000 2.220 270 F HA 0.213 4.741 4.527 0.002 0.000 0.290 270 F C 1.918 177.351 175.800 -0.612 0.000 1.080 270 F CA 1.116 58.742 58.000 -0.624 0.000 1.318 270 F CB -0.349 38.168 39.000 -0.805 0.000 1.063 270 F HN 0.147 nan 8.300 nan 0.000 0.498 271 G N -0.391 108.327 108.800 -0.137 0.000 2.179 271 G HA2 -0.323 3.638 3.960 0.002 0.000 0.257 271 G HA3 -0.323 3.638 3.960 0.002 0.000 0.257 271 G C 0.839 175.779 174.900 0.067 0.000 1.010 271 G CA 0.523 45.598 45.100 -0.041 0.000 0.736 271 G HN 0.246 nan 8.290 nan 0.000 0.513 272 F N -0.547 119.401 119.950 -0.004 0.000 2.367 272 F HA 0.396 4.924 4.527 0.002 0.000 0.298 272 F C 1.487 177.186 175.800 -0.168 0.000 1.094 272 F CA 0.876 58.784 58.000 -0.153 0.000 1.409 272 F CB -0.343 38.480 39.000 -0.295 0.000 1.064 272 F HN 0.489 nan 8.300 nan 0.000 0.528 273 L N -4.058 117.238 121.223 0.121 0.000 2.720 273 L HA 0.772 5.113 4.340 0.002 0.000 0.261 273 L C -0.836 176.081 176.870 0.079 0.000 1.046 273 L CA -0.796 54.088 54.840 0.073 0.000 0.886 273 L CB 1.853 43.976 42.059 0.107 0.000 1.493 273 L HN -0.364 nan 8.230 nan 0.000 0.407 274 T N 1.388 115.987 114.554 0.075 0.000 2.886 274 T HA 0.696 5.047 4.350 0.002 0.000 0.292 274 T C -0.437 174.319 174.700 0.093 0.000 1.012 274 T CA -0.503 61.640 62.100 0.071 0.000 0.982 274 T CB 1.493 70.392 68.868 0.053 0.000 1.018 274 T HN 0.624 nan 8.240 nan 0.000 0.451 275 L N 2.246 123.527 121.223 0.097 0.000 2.421 275 L HA 0.503 4.844 4.340 0.002 0.000 0.263 275 L C 1.283 178.228 176.870 0.126 0.000 1.122 275 L CA -0.830 54.087 54.840 0.129 0.000 0.804 275 L CB 1.061 43.204 42.059 0.140 0.000 1.150 275 L HN 0.792 nan 8.230 nan 0.000 0.457 276 S N -0.644 115.159 115.700 0.171 0.000 2.608 276 S HA 0.039 4.510 4.470 0.002 0.000 0.261 276 S C 0.563 175.201 174.600 0.064 0.000 1.314 276 S CA -0.658 57.615 58.200 0.121 0.000 0.992 276 S CB 0.936 64.229 63.200 0.156 0.000 0.935 276 S HN 0.579 nan 8.310 nan 0.000 0.564 277 D N 1.334 121.736 120.400 0.003 0.000 2.144 277 D HA -0.050 4.591 4.640 0.002 0.000 0.199 277 D C 2.208 178.441 176.300 -0.112 0.000 0.984 277 D CA 1.701 55.680 54.000 -0.035 0.000 0.834 277 D CB -0.923 39.854 40.800 -0.039 0.000 0.955 277 D HN 0.718 nan 8.370 nan 0.000 0.465 278 A N 0.054 122.734 122.820 -0.234 0.000 1.978 278 A HA -0.144 4.177 4.320 0.002 0.000 0.220 278 A C 1.489 178.668 177.584 -0.676 0.000 1.170 278 A CA 1.005 52.732 52.037 -0.517 0.000 0.636 278 A CB -0.680 17.846 19.000 -0.790 0.000 0.810 278 A HN 0.244 nan 8.150 nan 0.000 0.448 279 F N -0.075 119.882 119.950 0.012 0.000 2.668 279 F HA 0.246 4.774 4.527 0.002 0.000 0.301 279 F C 0.963 176.767 175.800 0.008 0.000 1.106 279 F CA 0.214 58.220 58.000 0.009 0.000 1.289 279 F CB 0.351 39.359 39.000 0.012 0.000 1.006 279 F HN 0.203 nan 8.300 nan 0.000 0.535 280 S N -1.926 113.825 115.700 0.085 0.000 2.704 280 S HA 0.792 5.263 4.470 0.002 0.000 0.296 280 S C -0.518 174.096 174.600 0.023 0.000 1.138 280 S CA -0.652 57.587 58.200 0.065 0.000 0.875 280 S CB 2.452 65.689 63.200 0.062 0.000 1.151 280 S HN -0.121 nan 8.310 nan 0.000 0.500 281 T N -0.375 114.191 114.554 0.021 0.000 2.903 281 T HA 0.846 5.197 4.350 0.002 0.000 0.299 281 T C -0.208 174.497 174.700 0.008 0.000 1.093 281 T CA -0.175 61.930 62.100 0.008 0.000 1.002 281 T CB 1.580 70.454 68.868 0.010 0.000 1.127 281 T HN 1.215 nan 8.240 nan 0.000 0.488 282 G N 0.248 109.050 108.800 0.003 0.000 2.727 282 G HA2 0.744 4.705 3.960 0.002 0.000 0.289 282 G HA3 0.744 4.705 3.960 0.002 0.000 0.289 282 G C -1.721 173.180 174.900 0.001 0.000 1.418 282 G CA -0.466 44.636 45.100 0.003 0.000 0.818 282 G HN 0.906 nan 8.290 nan 0.000 0.486 283 A N -0.463 122.358 122.820 0.002 0.000 2.337 283 A HA 0.696 5.017 4.320 0.002 0.000 0.329 283 A C 1.123 178.708 177.584 0.000 0.000 1.146 283 A CA 0.391 52.428 52.037 0.001 0.000 0.800 283 A CB 1.775 20.776 19.000 0.001 0.000 1.220 283 A HN 1.195 nan 8.150 nan 0.000 0.472 284 S N 1.170 116.870 115.700 -0.000 0.000 2.406 284 S HA -0.072 4.399 4.470 0.002 0.000 0.228 284 S C 1.395 175.995 174.600 0.000 0.000 1.020 284 S CA 1.071 59.271 58.200 -0.001 0.000 0.965 284 S CB -0.343 62.856 63.200 -0.001 0.000 0.798 284 S HN 0.593 nan 8.310 nan 0.000 0.488 285 L N 0.654 121.877 121.223 0.000 0.000 2.478 285 L HA 0.318 4.659 4.340 0.002 0.000 0.223 285 L C 0.655 177.526 176.870 0.001 0.000 1.140 285 L CA 1.055 55.895 54.840 0.000 0.000 0.842 285 L CB -0.904 41.156 42.059 0.000 0.000 0.953 285 L HN 0.421 nan 8.230 nan 0.000 0.452 286 M N 0.971 120.572 119.600 0.001 0.000 2.353 286 M HA 0.191 4.672 4.480 0.002 0.000 0.218 286 M C -1.555 174.746 176.300 0.003 0.000 1.044 286 M CA -1.014 54.287 55.300 0.002 0.000 0.615 286 M CB 1.986 34.587 32.600 0.002 0.000 1.531 286 M HN -0.226 nan 8.290 nan 0.000 0.378 287 P HA -0.204 nan 4.420 nan 0.000 0.223 287 P C 0.822 178.125 177.300 0.005 0.000 1.144 287 P CA 1.349 64.451 63.100 0.003 0.000 0.783 287 P CB 0.088 31.790 31.700 0.002 0.000 0.771 288 Q N -0.567 119.236 119.800 0.005 0.000 2.392 288 Q HA 0.078 4.419 4.340 0.002 0.000 0.203 288 Q C 0.763 176.768 176.000 0.009 0.000 0.917 288 Q CA 0.559 56.366 55.803 0.007 0.000 0.939 288 Q CB -0.023 28.719 28.738 0.006 0.000 1.063 288 Q HN 0.165 nan 8.270 nan 0.000 0.516 289 K N 1.497 121.901 120.400 0.008 0.000 2.213 289 K HA 0.328 4.649 4.320 0.002 0.000 0.270 289 K C -1.028 175.579 176.600 0.011 0.000 1.002 289 K CA -0.229 56.064 56.287 0.009 0.000 0.868 289 K CB 0.876 33.380 32.500 0.006 0.000 1.093 289 K HN -0.037 nan 8.250 nan 0.000 0.454 290 K N 3.168 123.577 120.400 0.015 0.000 2.345 290 K HA 0.334 4.655 4.320 0.002 0.000 0.255 290 K C -0.756 175.856 176.600 0.020 0.000 0.934 290 K CA -0.943 55.356 56.287 0.020 0.000 0.801 290 K CB 1.419 33.936 32.500 0.029 0.000 1.137 290 K HN 0.496 nan 8.250 nan 0.000 0.424 291 N N 3.835 122.546 118.700 0.019 0.000 2.426 291 N HA 0.173 4.914 4.740 0.002 0.000 0.275 291 N C -2.313 173.213 175.510 0.026 0.000 1.019 291 N CA -1.596 51.464 53.050 0.016 0.000 0.941 291 N CB 1.286 39.779 38.487 0.011 0.000 1.123 291 N HN 0.290 nan 8.380 nan 0.000 0.486 292 P HA 0.139 nan 4.420 nan 0.000 0.228 292 P C -0.371 176.947 177.300 0.030 0.000 1.748 292 P CA -0.123 62.997 63.100 0.033 0.000 0.909 292 P CB 0.014 31.724 31.700 0.016 0.000 1.882 293 D N 0.630 121.052 120.400 0.037 0.000 2.158 293 D HA -0.203 4.438 4.640 0.002 0.000 0.197 293 D C 2.254 178.580 176.300 0.042 0.000 0.995 293 D CA 2.175 56.194 54.000 0.032 0.000 0.846 293 D CB -0.300 40.520 40.800 0.033 0.000 0.941 293 D HN 0.298 nan 8.370 nan 0.000 0.456 294 S N 0.397 116.143 115.700 0.077 0.000 2.353 294 S HA -0.189 4.282 4.470 0.002 0.000 0.222 294 S C 2.079 176.691 174.600 0.020 0.000 1.035 294 S CA 0.873 59.126 58.200 0.088 0.000 1.025 294 S CB -0.851 62.451 63.200 0.169 0.000 0.902 294 S HN 0.285 nan 8.310 nan 0.000 0.440 295 L N 1.368 122.593 121.223 0.003 0.000 2.201 295 L HA -0.036 4.305 4.340 0.002 0.000 0.212 295 L C 2.884 179.735 176.870 -0.032 0.000 1.105 295 L CA 1.424 56.245 54.840 -0.032 0.000 0.775 295 L CB -0.633 41.403 42.059 -0.038 0.000 0.913 295 L HN 0.456 nan 8.230 nan 0.000 0.440 296 E N 0.254 120.443 120.200 -0.017 0.000 2.072 296 E HA -0.167 4.184 4.350 0.002 0.000 0.190 296 E C 2.357 178.947 176.600 -0.016 0.000 0.982 296 E CA 0.798 57.187 56.400 -0.020 0.000 0.803 296 E CB -0.089 29.603 29.700 -0.012 0.000 0.755 296 E HN 0.434 nan 8.360 nan 0.000 0.453 297 L N 0.949 122.169 121.223 -0.006 0.000 2.012 297 L HA -0.224 4.117 4.340 0.002 0.000 0.210 297 L C 2.488 179.349 176.870 -0.015 0.000 1.073 297 L CA 1.140 55.978 54.840 -0.003 0.000 0.748 297 L CB -0.371 41.695 42.059 0.011 0.000 0.891 297 L HN 0.161 nan 8.230 nan 0.000 0.431 298 I N -0.717 119.838 120.570 -0.026 0.000 2.179 298 I HA -0.324 3.847 4.170 0.002 0.000 0.242 298 I C 2.844 178.931 176.117 -0.049 0.000 1.088 298 I CA 1.260 62.534 61.300 -0.043 0.000 1.357 298 I CB -0.358 37.605 38.000 -0.062 0.000 1.051 298 I HN 0.257 nan 8.210 nan 0.000 0.409 299 R N 1.103 121.573 120.500 -0.050 0.000 2.083 299 R HA -0.200 4.141 4.340 0.002 0.000 0.237 299 R C 2.559 178.834 176.300 -0.041 0.000 1.137 299 R CA 2.113 58.181 56.100 -0.053 0.000 0.951 299 R CB -0.232 30.036 30.300 -0.053 0.000 0.851 299 R HN 0.455 nan 8.270 nan 0.000 0.434 300 S N 0.289 115.971 115.700 -0.029 0.000 2.419 300 S HA -0.067 4.404 4.470 0.002 0.000 0.233 300 S C 1.540 176.132 174.600 -0.013 0.000 1.016 300 S CA 0.771 58.961 58.200 -0.018 0.000 0.974 300 S CB -0.043 63.151 63.200 -0.011 0.000 0.786 300 S HN 0.232 nan 8.310 nan 0.000 0.492 301 K N 1.680 122.067 120.400 -0.020 0.000 2.442 301 K HA 0.250 4.571 4.320 0.002 0.000 0.198 301 K C 2.235 178.820 176.600 -0.024 0.000 1.042 301 K CA 0.922 57.197 56.287 -0.019 0.000 0.958 301 K CB -0.934 31.551 32.500 -0.025 0.000 0.766 301 K HN 0.550 nan 8.250 nan 0.000 0.474 302 A N 1.143 123.943 122.820 -0.033 0.000 1.898 302 A HA -0.056 4.265 4.320 0.002 0.000 0.216 302 A C 2.466 180.065 177.584 0.026 0.000 1.181 302 A CA 1.916 53.929 52.037 -0.039 0.000 0.620 302 A CB -0.941 18.017 19.000 -0.070 0.000 0.819 302 A HN 0.353 nan 8.150 nan 0.000 0.442 303 G N -0.710 108.114 108.800 0.039 0.000 2.402 303 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 303 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 303 G C 1.737 176.692 174.900 0.092 0.000 1.162 303 G CA 0.958 46.123 45.100 0.109 0.000 0.777 303 G HN 0.540 nan 8.290 nan 0.000 0.539 304 R N -0.066 120.454 120.500 0.033 0.000 2.091 304 R HA -0.067 4.274 4.340 0.002 0.000 0.238 304 R C 2.570 178.866 176.300 -0.007 0.000 1.136 304 R CA 1.713 57.816 56.100 0.005 0.000 0.959 304 R CB -0.345 29.955 30.300 0.000 0.000 0.856 304 R HN 0.284 nan 8.270 nan 0.000 0.437 305 V N 0.657 120.571 119.914 0.000 0.000 2.379 305 V HA -0.192 3.929 4.120 0.002 0.000 0.245 305 V C 2.021 178.114 176.094 -0.002 0.000 1.044 305 V CA 1.590 63.876 62.300 -0.024 0.000 1.036 305 V CB -0.713 31.070 31.823 -0.066 0.000 0.664 305 V HN 0.333 nan 8.190 nan 0.000 0.453 306 F N 2.591 122.482 119.950 -0.099 0.000 2.161 306 F HA -0.045 4.483 4.527 0.001 0.000 0.300 306 F C 2.097 177.854 175.800 -0.072 0.000 1.089 306 F CA 1.431 59.376 58.000 -0.092 0.000 1.282 306 F CB -0.936 38.012 39.000 -0.086 0.000 1.010 306 F HN 0.127 nan 8.300 nan 0.000 0.485 307 G N 0.740 109.365 108.800 -0.291 0.000 2.422 307 G HA2 -0.233 3.728 3.960 0.002 0.000 0.218 307 G HA3 -0.233 3.728 3.960 0.002 0.000 0.218 307 G C 1.814 176.537 174.900 -0.295 0.000 1.146 307 G CA 0.525 45.404 45.100 -0.369 0.000 0.769 307 G HN 0.207 nan 8.290 nan 0.000 0.547 308 R N -0.244 120.143 120.500 -0.187 0.000 2.092 308 R HA 0.055 4.396 4.340 0.002 0.000 0.231 308 R C 2.449 178.655 176.300 -0.158 0.000 1.119 308 R CA 0.726 56.742 56.100 -0.140 0.000 0.970 308 R CB -1.241 29.014 30.300 -0.076 0.000 0.864 308 R HN 0.458 nan 8.270 nan 0.000 0.440 309 L N 0.935 122.054 121.223 -0.173 0.000 2.017 309 L HA -0.050 4.291 4.340 0.002 0.000 0.208 309 L C 2.199 178.948 176.870 -0.201 0.000 1.073 309 L CA 2.169 56.925 54.840 -0.139 0.000 0.745 309 L CB -0.926 41.100 42.059 -0.055 0.000 0.894 309 L HN 0.149 nan 8.230 nan 0.000 0.432 310 A N -0.628 121.959 122.820 -0.389 0.000 1.908 310 A HA -0.274 4.047 4.320 0.002 0.000 0.218 310 A C 2.543 179.990 177.584 -0.228 0.000 1.181 310 A CA 2.548 54.361 52.037 -0.373 0.000 0.627 310 A CB -1.340 17.283 19.000 -0.627 0.000 0.818 310 A HN 0.717 nan 8.150 nan 0.000 0.445 311 S N -0.170 115.400 115.700 -0.217 0.000 2.368 311 S HA -0.135 4.336 4.470 0.002 0.000 0.225 311 S C 1.807 176.331 174.600 -0.128 0.000 1.030 311 S CA 1.537 59.643 58.200 -0.157 0.000 0.999 311 S CB -0.518 62.593 63.200 -0.148 0.000 0.844 311 S HN 0.329 nan 8.310 nan 0.000 0.459 312 I N 2.035 122.530 120.570 -0.125 0.000 2.315 312 I HA -0.001 4.170 4.170 0.002 0.000 0.248 312 I C 2.473 178.533 176.117 -0.095 0.000 1.117 312 I CA 0.681 61.915 61.300 -0.111 0.000 1.404 312 I CB -1.564 36.370 38.000 -0.111 0.000 1.071 312 I HN 0.336 nan 8.210 nan 0.000 0.419 313 L N -0.210 120.959 121.223 -0.089 0.000 2.017 313 L HA -0.239 4.102 4.340 0.002 0.000 0.208 313 L C 2.701 179.532 176.870 -0.065 0.000 1.073 313 L CA 1.539 56.338 54.840 -0.067 0.000 0.745 313 L CB -0.463 41.562 42.059 -0.057 0.000 0.894 313 L HN 0.234 nan 8.230 nan 0.000 0.432 314 M N -0.630 118.924 119.600 -0.077 0.000 2.132 314 M HA -0.166 4.315 4.480 0.002 0.000 0.263 314 M C 2.181 178.441 176.300 -0.067 0.000 1.065 314 M CA 1.501 56.761 55.300 -0.068 0.000 1.122 314 M CB 0.026 32.581 32.600 -0.074 0.000 1.365 314 M HN -0.008 nan 8.290 nan 0.000 0.411 315 V N 1.141 121.008 119.914 -0.078 0.000 2.282 315 V HA -0.309 3.812 4.120 0.002 0.000 0.249 315 V C 2.311 178.360 176.094 -0.075 0.000 1.057 315 V CA 1.948 64.201 62.300 -0.080 0.000 1.032 315 V CB -0.744 31.023 31.823 -0.092 0.000 0.645 315 V HN 0.562 nan 8.190 nan 0.000 0.447 316 L N -0.740 120.440 121.223 -0.072 0.000 2.240 316 L HA 0.019 4.360 4.340 0.002 0.000 0.211 316 L C 1.514 178.355 176.870 -0.049 0.000 1.106 316 L CA 0.463 55.265 54.840 -0.063 0.000 0.793 316 L CB -0.349 41.675 42.059 -0.059 0.000 0.927 316 L HN 0.179 nan 8.230 nan 0.000 0.446 317 K N 1.538 121.911 120.400 -0.045 0.000 2.472 317 K HA -0.019 4.302 4.320 0.002 0.000 0.280 317 K C 0.936 177.516 176.600 -0.033 0.000 1.028 317 K CA 1.035 57.302 56.287 -0.034 0.000 1.045 317 K CB 0.364 32.844 32.500 -0.032 0.000 0.902 317 K HN 0.308 nan 8.250 nan 0.000 0.478 318 G N 3.593 112.377 108.800 -0.027 0.000 2.168 318 G HA2 -0.270 3.691 3.960 0.002 0.000 0.263 318 G HA3 -0.270 3.691 3.960 0.002 0.000 0.263 318 G C 0.248 175.130 174.900 -0.030 0.000 0.977 318 G CA 0.396 45.481 45.100 -0.025 0.000 0.659 318 G HN 0.550 nan 8.290 nan 0.000 0.533 319 L N 2.062 123.263 121.223 -0.037 0.000 2.397 319 L HA 0.416 4.757 4.340 0.002 0.000 0.271 319 L C -0.684 176.165 176.870 -0.035 0.000 1.148 319 L CA -1.593 53.220 54.840 -0.045 0.000 0.825 319 L CB 0.482 42.504 42.059 -0.062 0.000 1.117 319 L HN 0.109 nan 8.230 nan 0.000 0.456 320 P HA 0.247 nan 4.420 nan 0.000 0.281 320 P C -0.861 176.427 177.300 -0.021 0.000 1.264 320 P CA -0.592 62.495 63.100 -0.022 0.000 0.824 320 P CB 1.214 32.904 31.700 -0.018 0.000 1.092 321 S N -0.202 115.493 115.700 -0.008 0.000 2.576 321 S HA 0.276 4.747 4.470 0.002 0.000 0.276 321 S C 1.253 175.859 174.600 0.010 0.000 1.339 321 S CA 0.040 58.241 58.200 0.003 0.000 1.039 321 S CB 0.568 63.773 63.200 0.009 0.000 0.902 321 S HN 0.732 nan 8.310 nan 0.000 0.516 322 T N 0.047 114.619 114.554 0.030 0.000 3.479 322 T HA 0.211 4.562 4.350 0.002 0.000 0.197 322 T C 0.238 174.971 174.700 0.056 0.000 0.912 322 T CA -0.256 61.872 62.100 0.046 0.000 1.281 322 T CB -0.632 68.276 68.868 0.066 0.000 1.588 322 T HN 0.483 nan 8.240 nan 0.000 0.389 323 Y N 3.329 123.629 120.300 0.001 0.000 2.346 323 Y HA 0.531 5.082 4.550 0.001 0.000 0.330 323 Y C -0.403 175.499 175.900 0.003 0.000 1.178 323 Y CA -0.588 57.513 58.100 0.003 0.000 1.331 323 Y CB 0.357 38.818 38.460 0.001 0.000 1.253 323 Y HN 0.352 nan 8.280 nan 0.000 0.529 324 N N 4.295 122.437 118.700 -0.931 0.000 2.277 324 N HA 0.102 4.843 4.740 0.002 0.000 0.286 324 N C -0.141 174.863 175.510 -0.844 0.000 1.140 324 N CA -0.738 51.961 53.050 -0.584 0.000 0.799 324 N CB 2.020 40.330 38.487 -0.294 0.000 1.596 324 N HN 0.502 nan 8.380 nan 0.000 0.473 325 K N 1.127 121.326 120.400 -0.335 0.000 2.280 325 K HA -0.078 4.243 4.320 0.002 0.000 0.202 325 K C 0.332 176.845 176.600 -0.145 0.000 1.047 325 K CA 1.503 57.709 56.287 -0.135 0.000 0.942 325 K CB -0.177 32.346 32.500 0.039 0.000 0.739 325 K HN 0.479 nan 8.250 nan 0.000 0.457 326 D N 0.212 120.507 120.400 -0.174 0.000 2.203 326 D HA -0.195 4.446 4.640 0.002 0.000 0.199 326 D C 1.393 177.614 176.300 -0.131 0.000 0.997 326 D CA 1.245 55.168 54.000 -0.127 0.000 0.863 326 D CB -0.143 40.582 40.800 -0.125 0.000 0.928 326 D HN 0.230 nan 8.370 nan 0.000 0.458 327 L N 0.314 121.414 121.223 -0.204 0.000 2.549 327 L HA -0.147 4.194 4.340 0.002 0.000 0.230 327 L C 2.308 179.156 176.870 -0.037 0.000 1.162 327 L CA 0.584 55.343 54.840 -0.135 0.000 0.834 327 L CB -0.428 41.531 42.059 -0.167 0.000 0.947 327 L HN 0.101 nan 8.230 nan 0.000 0.452 328 Q N 0.353 120.154 119.800 0.002 0.000 2.291 328 Q HA -0.181 4.160 4.340 0.002 0.000 0.205 328 Q C 1.716 177.733 176.000 0.028 0.000 0.970 328 Q CA 0.910 56.761 55.803 0.081 0.000 0.876 328 Q CB 0.223 29.039 28.738 0.131 0.000 0.935 328 Q HN 0.416 nan 8.270 nan 0.000 0.455 329 E N 1.152 121.325 120.200 -0.045 0.000 2.472 329 E HA -0.152 4.199 4.350 0.002 0.000 0.200 329 E C 1.212 177.722 176.600 -0.150 0.000 1.046 329 E CA 1.026 57.360 56.400 -0.110 0.000 0.871 329 E CB 0.035 29.670 29.700 -0.108 0.000 0.806 329 E HN 0.644 nan 8.360 nan 0.000 0.533 330 D N 1.065 121.387 120.400 -0.130 0.000 2.117 330 D HA -0.191 4.450 4.640 0.002 0.000 0.197 330 D C 1.576 177.724 176.300 -0.255 0.000 0.987 330 D CA 1.026 54.922 54.000 -0.174 0.000 0.829 330 D CB -0.375 40.324 40.800 -0.167 0.000 0.961 330 D HN 0.085 nan 8.370 nan 0.000 0.460 331 K N 0.377 120.600 120.400 -0.294 0.000 2.032 331 K HA -0.125 4.196 4.320 0.002 0.000 0.209 331 K C 2.338 178.401 176.600 -0.895 0.000 1.048 331 K CA 1.529 57.433 56.287 -0.639 0.000 0.927 331 K CB -0.098 32.143 32.500 -0.432 0.000 0.712 331 K HN 0.243 nan 8.250 nan 0.000 0.441 332 E N 0.320 120.199 120.200 -0.536 0.000 2.110 332 E HA -0.180 4.171 4.350 0.002 0.000 0.193 332 E C 2.007 178.482 176.600 -0.210 0.000 0.988 332 E CA 1.030 57.216 56.400 -0.357 0.000 0.804 332 E CB -0.086 29.370 29.700 -0.406 0.000 0.745 332 E HN 0.349 nan 8.360 nan 0.000 0.458 333 A N 0.755 123.450 122.820 -0.209 0.000 1.902 333 A HA -0.140 4.181 4.320 0.002 0.000 0.217 333 A C 2.472 180.051 177.584 -0.010 0.000 1.181 333 A CA 1.108 53.086 52.037 -0.099 0.000 0.623 333 A CB -0.580 18.356 19.000 -0.105 0.000 0.818 333 A HN 0.121 nan 8.150 nan 0.000 0.443 334 V N -0.806 119.062 119.914 -0.077 0.000 2.358 334 V HA -0.254 3.867 4.120 0.002 0.000 0.246 334 V C 2.338 178.608 176.094 0.293 0.000 1.047 334 V CA 1.982 64.343 62.300 0.102 0.000 1.035 334 V CB -1.015 30.790 31.823 -0.031 0.000 0.658 334 V HN 0.649 nan 8.190 nan 0.000 0.452 335 F N 0.403 120.435 119.950 0.136 0.000 2.102 335 F HA -0.235 4.293 4.527 0.001 0.000 0.298 335 F C 2.548 178.433 175.800 0.141 0.000 1.105 335 F CA 1.456 59.537 58.000 0.136 0.000 1.239 335 F CB -0.413 38.595 39.000 0.012 0.000 0.991 335 F HN 0.256 nan 8.300 nan 0.000 0.474 336 D N 0.752 121.323 120.400 0.286 0.000 2.092 336 D HA -0.164 4.477 4.640 0.002 0.000 0.193 336 D C 2.109 178.516 176.300 0.178 0.000 0.994 336 D CA 1.434 55.539 54.000 0.174 0.000 0.828 336 D CB -0.381 40.472 40.800 0.089 0.000 0.963 336 D HN 0.030 nan 8.370 nan 0.000 0.450 337 V N -0.018 120.015 119.914 0.199 0.000 2.343 337 V HA -0.197 3.924 4.120 0.002 0.000 0.247 337 V C 2.755 179.027 176.094 0.297 0.000 1.051 337 V CA 1.286 63.703 62.300 0.196 0.000 1.036 337 V CB -0.400 31.531 31.823 0.179 0.000 0.654 337 V HN 0.137 nan 8.190 nan 0.000 0.451 338 V N 0.368 120.541 119.914 0.431 0.000 2.255 338 V HA -0.285 3.836 4.120 0.002 0.000 0.247 338 V C 2.305 178.561 176.094 0.270 0.000 1.051 338 V CA 2.382 64.931 62.300 0.415 0.000 1.018 338 V CB -0.688 31.375 31.823 0.398 0.000 0.641 338 V HN 0.574 nan 8.190 nan 0.000 0.445 339 D N -0.504 120.037 120.400 0.235 0.000 2.178 339 D HA -0.127 4.514 4.640 0.002 0.000 0.201 339 D C 2.239 178.606 176.300 0.111 0.000 0.980 339 D CA 1.694 55.787 54.000 0.156 0.000 0.842 339 D CB -0.360 40.521 40.800 0.135 0.000 0.948 339 D HN 0.409 nan 8.370 nan 0.000 0.472 340 T N 1.073 115.692 114.554 0.109 0.000 2.737 340 T HA -0.030 4.321 4.350 0.002 0.000 0.265 340 T C 2.221 176.949 174.700 0.046 0.000 1.038 340 T CA 0.496 62.633 62.100 0.061 0.000 1.144 340 T CB -0.166 68.728 68.868 0.044 0.000 0.866 340 T HN 0.122 nan 8.240 nan 0.000 0.434 341 L N 0.629 121.897 121.223 0.074 0.000 2.056 341 L HA -0.100 4.241 4.340 0.002 0.000 0.207 341 L C 2.928 179.840 176.870 0.070 0.000 1.078 341 L CA 1.164 56.041 54.840 0.062 0.000 0.749 341 L CB -1.138 40.988 42.059 0.113 0.000 0.901 341 L HN 0.276 nan 8.230 nan 0.000 0.433 342 T N 0.061 114.675 114.554 0.099 0.000 2.684 342 T HA -0.202 4.149 4.350 0.002 0.000 0.267 342 T C 1.982 176.630 174.700 -0.087 0.000 1.036 342 T CA 1.565 63.696 62.100 0.052 0.000 1.148 342 T CB -0.197 68.734 68.868 0.105 0.000 0.863 342 T HN 0.460 nan 8.240 nan 0.000 0.436 343 A N 0.671 123.473 122.820 -0.030 0.000 1.872 343 A HA 0.018 4.339 4.320 0.002 0.000 0.214 343 A C 2.592 180.147 177.584 -0.049 0.000 1.187 343 A CA 1.097 53.109 52.037 -0.042 0.000 0.614 343 A CB -0.987 18.013 19.000 0.000 0.000 0.826 343 A HN 0.325 nan 8.150 nan 0.000 0.442 344 V N 0.261 120.156 119.914 -0.032 0.000 2.332 344 V HA -0.274 3.847 4.120 0.002 0.000 0.248 344 V C 2.594 178.649 176.094 -0.064 0.000 1.055 344 V CA 2.065 64.339 62.300 -0.043 0.000 1.038 344 V CB -0.718 31.082 31.823 -0.038 0.000 0.651 344 V HN 0.565 nan 8.190 nan 0.000 0.450 345 L N -0.747 120.443 121.223 -0.054 0.000 2.046 345 L HA -0.235 4.106 4.340 0.002 0.000 0.208 345 L C 2.674 179.493 176.870 -0.085 0.000 1.077 345 L CA 1.638 56.452 54.840 -0.043 0.000 0.747 345 L CB -0.542 41.537 42.059 0.033 0.000 0.896 345 L HN 0.389 nan 8.230 nan 0.000 0.432 346 Q N -0.838 118.871 119.800 -0.151 0.000 2.079 346 Q HA -0.154 4.187 4.340 0.002 0.000 0.200 346 Q C 2.357 178.288 176.000 -0.114 0.000 0.974 346 Q CA 1.269 56.984 55.803 -0.148 0.000 0.840 346 Q CB -0.119 28.488 28.738 -0.219 0.000 0.898 346 Q HN 0.345 nan 8.270 nan 0.000 0.430 347 V N 1.094 120.944 119.914 -0.107 0.000 2.343 347 V HA -0.269 3.852 4.120 0.002 0.000 0.247 347 V C 2.298 178.183 176.094 -0.348 0.000 1.051 347 V CA 1.795 63.992 62.300 -0.172 0.000 1.036 347 V CB -0.947 30.843 31.823 -0.055 0.000 0.654 347 V HN 0.390 nan 8.190 nan 0.000 0.451 348 A N -0.466 122.224 122.820 -0.217 0.000 1.940 348 A HA -0.248 4.073 4.320 0.002 0.000 0.219 348 A C 2.388 179.841 177.584 -0.217 0.000 1.176 348 A CA 2.572 54.483 52.037 -0.210 0.000 0.631 348 A CB -0.902 18.015 19.000 -0.138 0.000 0.814 348 A HN 0.509 nan 8.150 nan 0.000 0.446 349 T N -0.464 113.985 114.554 -0.174 0.000 2.737 349 T HA -0.007 4.344 4.350 0.002 0.000 0.265 349 T C 2.002 176.600 174.700 -0.171 0.000 1.038 349 T CA 1.429 63.457 62.100 -0.120 0.000 1.144 349 T CB -0.619 68.220 68.868 -0.050 0.000 0.866 349 T HN 0.588 nan 8.240 nan 0.000 0.434 350 G N 1.119 109.742 108.800 -0.295 0.000 2.446 350 G HA2 -0.186 3.775 3.960 0.002 0.000 0.217 350 G HA3 -0.186 3.775 3.960 0.002 0.000 0.217 350 G C 1.705 176.244 174.900 -0.602 0.000 1.168 350 G CA 1.007 45.872 45.100 -0.391 0.000 0.771 350 G HN 0.433 nan 8.290 nan 0.000 0.551 351 V N 1.498 120.870 119.914 -0.904 0.000 2.343 351 V HA -0.146 3.975 4.120 0.002 0.000 0.247 351 V C 2.774 178.785 176.094 -0.138 0.000 1.051 351 V CA 1.183 63.190 62.300 -0.488 0.000 1.036 351 V CB -0.342 31.253 31.823 -0.380 0.000 0.654 351 V HN 0.271 nan 8.190 nan 0.000 0.451 352 I N 1.216 121.712 120.570 -0.122 0.000 2.315 352 I HA -0.138 4.033 4.170 0.002 0.000 0.248 352 I C 2.667 178.804 176.117 0.034 0.000 1.117 352 I CA 2.050 63.341 61.300 -0.014 0.000 1.404 352 I CB -1.349 36.626 38.000 -0.040 0.000 1.071 352 I HN 0.536 nan 8.210 nan 0.000 0.419 353 S N 0.099 115.803 115.700 0.007 0.000 2.406 353 S HA -0.099 4.372 4.470 0.002 0.000 0.228 353 S C 1.777 176.432 174.600 0.092 0.000 1.020 353 S CA 1.323 59.554 58.200 0.052 0.000 0.965 353 S CB -0.832 62.394 63.200 0.044 0.000 0.798 353 S HN 0.575 nan 8.310 nan 0.000 0.488 354 T N 0.147 114.770 114.554 0.115 0.000 3.023 354 T HA 0.431 4.782 4.350 0.002 0.000 0.253 354 T C 0.439 175.229 174.700 0.151 0.000 1.038 354 T CA -0.462 61.730 62.100 0.154 0.000 0.962 354 T CB -0.755 68.255 68.868 0.237 0.000 1.018 354 T HN 0.404 nan 8.240 nan 0.000 0.521 355 L N 0.579 121.889 121.223 0.145 0.000 2.452 355 L HA 0.533 4.874 4.340 0.002 0.000 0.267 355 L C -0.267 176.686 176.870 0.139 0.000 1.188 355 L CA -0.348 54.582 54.840 0.150 0.000 0.821 355 L CB 0.013 42.173 42.059 0.168 0.000 1.102 355 L HN 0.044 nan 8.230 nan 0.000 0.470 356 Q N 3.134 123.000 119.800 0.110 0.000 2.333 356 Q HA 0.634 4.975 4.340 0.002 0.000 0.267 356 Q C -0.648 175.372 176.000 0.035 0.000 1.012 356 Q CA -0.688 55.159 55.803 0.074 0.000 0.824 356 Q CB 2.652 31.422 28.738 0.054 0.000 1.290 356 Q HN 0.812 nan 8.270 nan 0.000 0.449 357 I N -1.516 119.039 120.570 -0.025 0.000 2.664 357 I HA 0.540 4.711 4.170 0.002 0.000 0.308 357 I C -0.015 176.022 176.117 -0.134 0.000 0.984 357 I CA -0.593 60.609 61.300 -0.164 0.000 1.213 357 I CB 1.803 39.543 38.000 -0.433 0.000 1.379 357 I HN 0.361 nan 8.210 nan 0.000 0.501 358 S N 2.852 118.463 115.700 -0.150 0.000 2.512 358 S HA 0.323 4.794 4.470 0.002 0.000 0.291 358 S C 0.741 175.250 174.600 -0.152 0.000 1.151 358 S CA -0.772 57.372 58.200 -0.094 0.000 1.120 358 S CB 0.267 63.453 63.200 -0.023 0.000 1.029 358 S HN 0.772 nan 8.310 nan 0.000 0.485 359 K N 2.646 122.956 120.400 -0.150 0.000 2.074 359 K HA -0.191 4.130 4.320 0.002 0.000 0.209 359 K C 1.862 178.390 176.600 -0.121 0.000 1.048 359 K CA 1.718 57.910 56.287 -0.159 0.000 0.926 359 K CB -0.076 32.364 32.500 -0.099 0.000 0.713 359 K HN 0.721 nan 8.250 nan 0.000 0.444 360 E N 1.049 121.205 120.200 -0.073 0.000 2.038 360 E HA -0.219 4.132 4.350 0.002 0.000 0.195 360 E C 1.747 178.322 176.600 -0.042 0.000 1.000 360 E CA 1.350 57.723 56.400 -0.046 0.000 0.803 360 E CB 0.088 29.773 29.700 -0.024 0.000 0.750 360 E HN 0.260 nan 8.360 nan 0.000 0.448 361 N N 0.122 118.810 118.700 -0.021 0.000 2.188 361 N HA -0.136 4.605 4.740 0.002 0.000 0.184 361 N C 1.867 177.394 175.510 0.028 0.000 1.018 361 N CA 1.237 54.314 53.050 0.044 0.000 0.858 361 N CB -0.254 38.304 38.487 0.117 0.000 0.989 361 N HN 0.285 nan 8.380 nan 0.000 0.426 362 M N 0.484 119.988 119.600 -0.160 0.000 2.117 362 M HA -0.116 4.365 4.480 0.002 0.000 0.262 362 M C 2.031 178.134 176.300 -0.328 0.000 1.065 362 M CA 1.265 56.276 55.300 -0.482 0.000 1.114 362 M CB -0.158 32.059 32.600 -0.638 0.000 1.361 362 M HN 0.073 nan 8.290 nan 0.000 0.408 363 E N 1.075 121.148 120.200 -0.213 0.000 2.107 363 E HA -0.186 4.165 4.350 0.002 0.000 0.191 363 E C 1.798 178.312 176.600 -0.143 0.000 0.982 363 E CA 1.203 57.497 56.400 -0.176 0.000 0.809 363 E CB -0.112 29.534 29.700 -0.089 0.000 0.756 363 E HN 0.435 nan 8.360 nan 0.000 0.459 364 K N 0.201 120.554 120.400 -0.079 0.000 2.103 364 K HA -0.101 4.220 4.320 0.002 0.000 0.207 364 K C 1.871 178.442 176.600 -0.049 0.000 1.048 364 K CA 1.277 57.543 56.287 -0.036 0.000 0.930 364 K CB -0.172 32.324 32.500 -0.007 0.000 0.716 364 K HN 0.089 nan 8.250 nan 0.000 0.444 365 A N 0.931 123.720 122.820 -0.051 0.000 2.209 365 A HA 0.065 4.386 4.320 0.002 0.000 0.212 365 A C 0.695 178.187 177.584 -0.154 0.000 1.158 365 A CA 0.316 52.331 52.037 -0.037 0.000 0.742 365 A CB -0.296 18.779 19.000 0.125 0.000 0.790 365 A HN 0.236 nan 8.150 nan 0.000 0.472 366 L N 1.679 122.726 121.223 -0.294 0.000 2.313 366 L HA 0.317 4.658 4.340 0.002 0.000 0.282 366 L C 0.551 177.259 176.870 -0.269 0.000 1.092 366 L CA -0.158 54.336 54.840 -0.578 0.000 0.831 366 L CB 0.969 42.267 42.059 -1.267 0.000 1.159 366 L HN 0.353 nan 8.230 nan 0.000 0.442 367 T N -0.418 114.105 114.554 -0.052 0.000 2.907 367 T HA 0.429 4.780 4.350 0.002 0.000 0.292 367 T C -2.207 172.710 174.700 0.363 0.000 1.043 367 T CA -2.051 60.171 62.100 0.204 0.000 1.003 367 T CB 2.229 71.146 68.868 0.082 0.000 1.084 367 T HN 0.156 nan 8.240 nan 0.000 0.483 368 P HA -0.119 nan 4.420 nan 0.000 0.216 368 P C 1.168 178.594 177.300 0.209 0.000 1.154 368 P CA 1.167 64.404 63.100 0.229 0.000 0.865 368 P CB 0.054 31.819 31.700 0.109 0.000 0.789 369 E N -0.991 119.299 120.200 0.149 0.000 2.147 369 E HA -0.182 4.169 4.350 0.002 0.000 0.199 369 E C 1.751 178.424 176.600 0.122 0.000 1.005 369 E CA 1.338 57.807 56.400 0.116 0.000 0.810 369 E CB -1.069 28.678 29.700 0.078 0.000 0.736 369 E HN 0.350 nan 8.360 nan 0.000 0.460 370 M N -0.345 119.338 119.600 0.139 0.000 2.686 370 M HA 0.016 4.497 4.480 0.002 0.000 0.246 370 M C 0.922 177.309 176.300 0.145 0.000 1.096 370 M CA 0.672 56.042 55.300 0.117 0.000 1.076 370 M CB 0.151 32.800 32.600 0.081 0.000 1.504 370 M HN 0.061 nan 8.290 nan 0.000 0.524 371 L N -1.315 120.006 121.223 0.164 0.000 2.693 371 L HA 0.263 4.604 4.340 0.002 0.000 0.235 371 L C 2.481 179.385 176.870 0.056 0.000 1.127 371 L CA -0.226 54.673 54.840 0.098 0.000 0.914 371 L CB -0.421 41.674 42.059 0.059 0.000 1.193 371 L HN 0.209 nan 8.230 nan 0.000 0.502 372 A N 0.511 123.396 122.820 0.107 0.000 1.948 372 A HA -0.229 4.092 4.320 0.002 0.000 0.220 372 A C 2.331 179.960 177.584 0.075 0.000 1.177 372 A CA 2.563 54.668 52.037 0.112 0.000 0.636 372 A CB -0.757 18.318 19.000 0.125 0.000 0.815 372 A HN 0.344 nan 8.150 nan 0.000 0.449 373 T N 0.251 114.837 114.554 0.054 0.000 2.684 373 T HA -0.139 4.212 4.350 0.002 0.000 0.267 373 T C 1.495 176.209 174.700 0.024 0.000 1.036 373 T CA 1.635 63.750 62.100 0.026 0.000 1.148 373 T CB -0.451 68.439 68.868 0.037 0.000 0.863 373 T HN 0.521 nan 8.240 nan 0.000 0.436 374 D N 0.830 121.239 120.400 0.014 0.000 2.178 374 D HA -0.024 4.617 4.640 0.002 0.000 0.201 374 D C 1.993 178.288 176.300 -0.010 0.000 0.980 374 D CA 0.411 54.401 54.000 -0.015 0.000 0.842 374 D CB -0.466 40.298 40.800 -0.060 0.000 0.948 374 D HN 0.166 nan 8.370 nan 0.000 0.472 375 L N 0.993 122.200 121.223 -0.027 0.000 2.046 375 L HA -0.105 4.236 4.340 0.002 0.000 0.208 375 L C 2.153 179.145 176.870 0.203 0.000 1.077 375 L CA 1.596 56.472 54.840 0.060 0.000 0.747 375 L CB -0.773 41.344 42.059 0.097 0.000 0.896 375 L HN -0.016 nan 8.230 nan 0.000 0.432 376 A N -0.844 122.056 122.820 0.133 0.000 1.902 376 A HA -0.167 4.154 4.320 0.002 0.000 0.217 376 A C 2.270 179.892 177.584 0.062 0.000 1.181 376 A CA 1.842 53.943 52.037 0.106 0.000 0.623 376 A CB -0.845 18.186 19.000 0.052 0.000 0.818 376 A HN 0.466 nan 8.150 nan 0.000 0.443 377 L N -1.928 119.320 121.223 0.042 0.000 2.042 377 L HA -0.227 4.114 4.340 0.002 0.000 0.210 377 L C 2.575 179.450 176.870 0.008 0.000 1.076 377 L CA 1.895 56.737 54.840 0.004 0.000 0.749 377 L CB -0.696 41.353 42.059 -0.017 0.000 0.893 377 L HN 0.631 nan 8.230 nan 0.000 0.432 378 Y N 0.695 120.965 120.300 -0.050 0.000 2.151 378 Y HA -0.298 4.253 4.550 0.002 0.000 0.284 378 Y C 2.267 178.125 175.900 -0.070 0.000 1.166 378 Y CA 1.714 59.788 58.100 -0.044 0.000 1.163 378 Y CB -0.211 38.252 38.460 0.005 0.000 0.974 378 Y HN 0.030 nan 8.280 nan 0.000 0.511 379 L N -0.359 120.806 121.223 -0.095 0.000 2.156 379 L HA -0.129 4.212 4.340 0.002 0.000 0.208 379 L C 2.583 179.325 176.870 -0.213 0.000 1.095 379 L CA 1.097 55.788 54.840 -0.249 0.000 0.770 379 L CB -0.809 41.140 42.059 -0.183 0.000 0.914 379 L HN 0.362 nan 8.230 nan 0.000 0.439 380 V N -2.403 117.432 119.914 -0.132 0.000 2.427 380 V HA -0.190 3.931 4.120 0.002 0.000 0.248 380 V C 2.401 178.415 176.094 -0.134 0.000 1.051 380 V CA 1.236 63.472 62.300 -0.106 0.000 1.048 380 V CB -0.731 31.054 31.823 -0.064 0.000 0.666 380 V HN 0.370 nan 8.190 nan 0.000 0.456 381 R N 0.189 120.587 120.500 -0.171 0.000 2.189 381 R HA -0.026 4.315 4.340 0.002 0.000 0.223 381 R C 2.208 178.385 176.300 -0.206 0.000 1.092 381 R CA 1.157 57.154 56.100 -0.172 0.000 0.989 381 R CB -0.268 29.927 30.300 -0.176 0.000 0.876 381 R HN 0.381 nan 8.270 nan 0.000 0.457 382 K N -0.634 119.595 120.400 -0.286 0.000 2.366 382 K HA 0.017 4.338 4.320 0.002 0.000 0.198 382 K C 0.884 177.380 176.600 -0.174 0.000 1.044 382 K CA 0.904 57.027 56.287 -0.273 0.000 0.973 382 K CB 0.425 32.694 32.500 -0.385 0.000 0.767 382 K HN 0.351 nan 8.250 nan 0.000 0.475 383 G N -0.764 107.948 108.800 -0.148 0.000 2.175 383 G HA2 -0.179 3.782 3.960 0.002 0.000 0.182 383 G HA3 -0.179 3.782 3.960 0.002 0.000 0.182 383 G C -0.425 174.420 174.900 -0.091 0.000 1.003 383 G CA -0.057 44.981 45.100 -0.102 0.000 0.666 383 G HN 0.052 nan 8.290 nan 0.000 0.506 384 V N 2.328 122.176 119.914 -0.110 0.000 2.470 384 V HA 0.335 4.456 4.120 0.002 0.000 0.276 384 V C -1.221 174.839 176.094 -0.056 0.000 1.040 384 V CA -1.129 61.118 62.300 -0.088 0.000 1.008 384 V CB 0.957 32.711 31.823 -0.114 0.000 0.990 384 V HN 0.138 nan 8.190 nan 0.000 0.477 385 P HA -0.005 nan 4.420 nan 0.000 0.266 385 P C 1.038 178.336 177.300 -0.004 0.000 1.186 385 P CA 0.716 63.804 63.100 -0.019 0.000 0.767 385 P CB 0.287 31.979 31.700 -0.012 0.000 0.820 386 F N 1.978 121.932 119.950 0.006 0.000 2.032 386 F HA -0.326 4.202 4.527 0.002 0.000 0.297 386 F C 2.388 178.233 175.800 0.075 0.000 1.125 386 F CA 2.379 60.398 58.000 0.030 0.000 1.202 386 F CB -1.601 37.417 39.000 0.030 0.000 0.958 386 F HN 0.315 nan 8.300 nan 0.000 0.491 387 R N -0.176 120.366 120.500 0.071 0.000 2.120 387 R HA -0.089 4.252 4.340 0.002 0.000 0.234 387 R C 2.243 178.581 176.300 0.064 0.000 1.123 387 R CA 1.533 57.683 56.100 0.084 0.000 0.975 387 R CB -0.907 29.417 30.300 0.039 0.000 0.866 387 R HN 0.814 nan 8.270 nan 0.000 0.446 388 Q N -1.032 118.791 119.800 0.038 0.000 2.049 388 Q HA 0.014 4.355 4.340 0.002 0.000 0.198 388 Q C 2.115 178.141 176.000 0.043 0.000 0.971 388 Q CA 1.375 57.192 55.803 0.024 0.000 0.833 388 Q CB -0.140 28.597 28.738 -0.001 0.000 0.896 388 Q HN 0.381 nan 8.270 nan 0.000 0.434 389 A N 0.557 123.401 122.820 0.041 0.000 1.908 389 A HA -0.267 4.054 4.320 0.002 0.000 0.218 389 A C 1.774 179.442 177.584 0.140 0.000 1.181 389 A CA 1.831 53.895 52.037 0.045 0.000 0.627 389 A CB -0.937 18.072 19.000 0.015 0.000 0.818 389 A HN 0.519 nan 8.150 nan 0.000 0.445 390 H N -0.147 118.942 119.070 0.032 0.000 2.293 390 H HA -0.146 4.412 4.556 0.002 0.000 0.300 390 H C 2.497 177.860 175.328 0.057 0.000 1.082 390 H CA 2.110 58.187 56.048 0.047 0.000 1.308 390 H CB 0.058 29.841 29.762 0.035 0.000 1.375 390 H HN 0.602 nan 8.280 nan 0.000 0.495 391 T N -1.375 113.229 114.554 0.082 0.000 2.833 391 T HA -0.081 4.270 4.350 0.002 0.000 0.269 391 T C 2.127 176.875 174.700 0.081 0.000 1.054 391 T CA 0.974 63.073 62.100 -0.002 0.000 1.135 391 T CB -0.565 68.284 68.868 -0.031 0.000 0.869 391 T HN 0.444 nan 8.240 nan 0.000 0.466 392 A N 1.335 124.225 122.820 0.116 0.000 1.898 392 A HA 0.025 4.346 4.320 0.002 0.000 0.216 392 A C 2.710 180.437 177.584 0.238 0.000 1.181 392 A CA 1.927 54.062 52.037 0.164 0.000 0.620 392 A CB -1.286 17.790 19.000 0.128 0.000 0.819 392 A HN 0.534 nan 8.150 nan 0.000 0.442 393 S N -0.596 115.253 115.700 0.248 0.000 2.382 393 S HA -0.040 4.431 4.470 0.002 0.000 0.228 393 S C 1.986 176.717 174.600 0.218 0.000 1.027 393 S CA 1.667 60.025 58.200 0.264 0.000 0.991 393 S CB -0.598 62.746 63.200 0.240 0.000 0.823 393 S HN 0.696 nan 8.310 nan 0.000 0.469 394 G N 1.037 109.956 108.800 0.198 0.000 2.408 394 G HA2 -0.143 3.818 3.960 0.002 0.000 0.217 394 G HA3 -0.143 3.818 3.960 0.002 0.000 0.217 394 G C 1.530 176.526 174.900 0.160 0.000 1.150 394 G CA 0.568 45.761 45.100 0.156 0.000 0.776 394 G HN 0.533 nan 8.290 nan 0.000 0.542 395 K N 0.621 121.116 120.400 0.158 0.000 2.097 395 K HA 0.055 4.376 4.320 0.002 0.000 0.206 395 K C 2.928 179.641 176.600 0.190 0.000 1.049 395 K CA 0.924 57.325 56.287 0.190 0.000 0.933 395 K CB -0.189 32.408 32.500 0.161 0.000 0.717 395 K HN 0.267 nan 8.250 nan 0.000 0.442 396 A N 1.476 124.395 122.820 0.164 0.000 1.877 396 A HA -0.147 4.174 4.320 0.002 0.000 0.216 396 A C 2.452 180.083 177.584 0.078 0.000 1.186 396 A CA 1.943 54.041 52.037 0.103 0.000 0.620 396 A CB -0.899 18.170 19.000 0.115 0.000 0.822 396 A HN 0.197 nan 8.150 nan 0.000 0.443 397 V N -2.125 117.861 119.914 0.119 0.000 2.427 397 V HA -0.246 3.875 4.120 0.002 0.000 0.248 397 V C 2.404 178.554 176.094 0.094 0.000 1.051 397 V CA 2.667 65.026 62.300 0.099 0.000 1.048 397 V CB -1.523 30.372 31.823 0.121 0.000 0.666 397 V HN 0.722 nan 8.190 nan 0.000 0.456 398 H N 0.901 119.995 119.070 0.040 0.000 2.319 398 H HA -0.157 4.400 4.556 0.002 0.000 0.299 398 H C 1.890 177.227 175.328 0.015 0.000 1.092 398 H CA 2.545 58.610 56.048 0.028 0.000 1.302 398 H CB -0.341 29.439 29.762 0.030 0.000 1.373 398 H HN 0.427 nan 8.280 nan 0.000 0.497 399 L N 0.196 121.292 121.223 -0.211 0.000 2.156 399 L HA 0.139 4.480 4.340 0.002 0.000 0.208 399 L C 2.402 179.170 176.870 -0.169 0.000 1.095 399 L CA 1.699 56.383 54.840 -0.260 0.000 0.770 399 L CB -1.178 40.816 42.059 -0.109 0.000 0.914 399 L HN 0.408 nan 8.230 nan 0.000 0.439 400 A N -0.715 122.042 122.820 -0.104 0.000 1.898 400 A HA -0.246 4.075 4.320 0.002 0.000 0.216 400 A C 2.300 179.834 177.584 -0.083 0.000 1.181 400 A CA 1.696 53.680 52.037 -0.088 0.000 0.620 400 A CB -0.666 18.296 19.000 -0.064 0.000 0.819 400 A HN 0.564 nan 8.150 nan 0.000 0.442 401 E N -0.744 119.412 120.200 -0.072 0.000 2.058 401 E HA -0.165 4.186 4.350 0.002 0.000 0.194 401 E C 2.063 178.615 176.600 -0.080 0.000 0.997 401 E CA 1.834 58.203 56.400 -0.052 0.000 0.801 401 E CB -0.195 29.497 29.700 -0.013 0.000 0.746 401 E HN 0.575 nan 8.360 nan 0.000 0.450 402 T N 1.072 115.537 114.554 -0.149 0.000 2.635 402 T HA -0.189 4.162 4.350 0.002 0.000 0.267 402 T C 1.508 176.151 174.700 -0.095 0.000 1.040 402 T CA 1.799 63.812 62.100 -0.143 0.000 1.156 402 T CB -0.204 68.524 68.868 -0.233 0.000 0.863 402 T HN 0.181 nan 8.240 nan 0.000 0.430 403 K N 0.834 121.175 120.400 -0.099 0.000 2.555 403 K HA 0.209 4.530 4.320 0.002 0.000 0.193 403 K C 1.253 177.815 176.600 -0.063 0.000 1.032 403 K CA 0.304 56.545 56.287 -0.076 0.000 1.004 403 K CB -0.144 32.308 32.500 -0.081 0.000 0.804 403 K HN 0.447 nan 8.250 nan 0.000 0.496 404 G N 2.859 111.623 108.800 -0.060 0.000 2.356 404 G HA2 -0.258 3.703 3.960 0.002 0.000 0.296 404 G HA3 -0.258 3.703 3.960 0.002 0.000 0.296 404 G C 0.042 174.913 174.900 -0.049 0.000 1.022 404 G CA 0.791 45.863 45.100 -0.046 0.000 0.961 404 G HN 0.524 nan 8.290 nan 0.000 0.510 405 I N -3.533 117.001 120.570 -0.060 0.000 3.042 405 I HA 0.858 5.029 4.170 0.002 0.000 0.310 405 I C 0.552 176.626 176.117 -0.071 0.000 1.117 405 I CA -0.842 60.417 61.300 -0.069 0.000 1.003 405 I CB 1.865 39.813 38.000 -0.088 0.000 1.228 405 I HN 0.175 nan 8.210 nan 0.000 0.443 406 T N 0.101 114.607 114.554 -0.080 0.000 2.813 406 T HA 0.321 4.672 4.350 0.002 0.000 0.297 406 T C 1.368 175.987 174.700 -0.134 0.000 1.036 406 T CA -0.272 61.781 62.100 -0.078 0.000 1.044 406 T CB 1.080 69.906 68.868 -0.071 0.000 0.993 406 T HN 0.741 nan 8.240 nan 0.000 0.535 407 I N -0.111 120.391 120.570 -0.113 0.000 2.493 407 I HA -0.119 4.052 4.170 0.002 0.000 0.254 407 I C 1.973 177.763 176.117 -0.544 0.000 1.160 407 I CA 1.171 62.369 61.300 -0.171 0.000 1.445 407 I CB -0.807 37.218 38.000 0.042 0.000 1.086 407 I HN 0.664 nan 8.210 nan 0.000 0.433 408 N N 1.777 120.047 118.700 -0.716 0.000 2.571 408 N HA -0.132 4.609 4.740 0.002 0.000 0.189 408 N C 1.066 176.162 175.510 -0.690 0.000 1.154 408 N CA 0.633 52.934 53.050 -1.248 0.000 0.907 408 N CB -0.291 37.735 38.487 -0.769 0.000 0.977 408 N HN 0.447 nan 8.380 nan 0.000 0.449 409 K N 0.507 120.647 120.400 -0.434 0.000 2.367 409 K HA 0.266 4.587 4.320 0.002 0.000 0.194 409 K C 0.653 177.103 176.600 -0.250 0.000 1.027 409 K CA -0.273 55.845 56.287 -0.281 0.000 1.075 409 K CB 0.437 32.823 32.500 -0.190 0.000 0.845 409 K HN 0.246 nan 8.250 nan 0.000 0.529 410 L N 2.798 123.844 121.223 -0.294 0.000 2.453 410 L HA 0.003 4.344 4.340 0.002 0.000 0.272 410 L C 0.868 177.609 176.870 -0.214 0.000 1.182 410 L CA -0.166 54.536 54.840 -0.229 0.000 0.858 410 L CB 0.441 42.359 42.059 -0.234 0.000 1.120 410 L HN 0.083 nan 8.230 nan 0.000 0.474 411 S N 3.160 118.767 115.700 -0.155 0.000 2.592 411 S HA 0.127 4.598 4.470 0.002 0.000 0.271 411 S C 1.095 175.620 174.600 -0.125 0.000 1.326 411 S CA -0.785 57.342 58.200 -0.123 0.000 1.024 411 S CB 1.199 64.349 63.200 -0.085 0.000 0.921 411 S HN 0.712 nan 8.310 nan 0.000 0.527 412 L N 0.923 122.088 121.223 -0.097 0.000 2.127 412 L HA -0.152 4.189 4.340 0.002 0.000 0.211 412 L C 2.689 179.536 176.870 -0.039 0.000 1.089 412 L CA 2.204 56.999 54.840 -0.075 0.000 0.757 412 L CB -0.590 41.454 42.059 -0.024 0.000 0.899 412 L HN 1.069 nan 8.230 nan 0.000 0.434 413 E N -0.008 120.173 120.200 -0.032 0.000 2.023 413 E HA -0.289 4.062 4.350 0.002 0.000 0.196 413 E C 1.671 178.262 176.600 -0.015 0.000 1.003 413 E CA 1.859 58.252 56.400 -0.011 0.000 0.809 413 E CB -0.017 29.673 29.700 -0.017 0.000 0.755 413 E HN 0.496 nan 8.360 nan 0.000 0.449 414 D N 0.475 120.847 120.400 -0.047 0.000 2.133 414 D HA -0.189 4.452 4.640 0.002 0.000 0.195 414 D C 2.027 178.297 176.300 -0.050 0.000 0.997 414 D CA 0.843 54.812 54.000 -0.052 0.000 0.840 414 D CB -0.135 40.613 40.800 -0.086 0.000 0.947 414 D HN 0.223 nan 8.370 nan 0.000 0.452 415 L N 1.064 122.211 121.223 -0.126 0.000 2.046 415 L HA -0.122 4.219 4.340 0.002 0.000 0.208 415 L C 2.267 179.246 176.870 0.182 0.000 1.077 415 L CA 1.438 56.149 54.840 -0.215 0.000 0.747 415 L CB -0.970 40.674 42.059 -0.692 0.000 0.896 415 L HN 0.045 nan 8.230 nan 0.000 0.432 416 K N -0.162 120.332 120.400 0.158 0.000 2.097 416 K HA -0.139 4.182 4.320 0.002 0.000 0.206 416 K C 2.220 178.915 176.600 0.159 0.000 1.049 416 K CA 1.525 57.936 56.287 0.205 0.000 0.933 416 K CB -0.133 32.443 32.500 0.127 0.000 0.717 416 K HN 0.408 nan 8.250 nan 0.000 0.442 417 S N 0.999 116.764 115.700 0.108 0.000 2.399 417 S HA -0.128 4.343 4.470 0.002 0.000 0.231 417 S C 1.961 176.627 174.600 0.111 0.000 1.022 417 S CA 0.926 59.176 58.200 0.085 0.000 0.983 417 S CB -0.429 62.803 63.200 0.054 0.000 0.803 417 S HN 0.208 nan 8.310 nan 0.000 0.480 418 I N 0.511 121.178 120.570 0.163 0.000 2.235 418 I HA 0.089 4.260 4.170 0.002 0.000 0.241 418 I C 1.211 177.450 176.117 0.203 0.000 1.085 418 I CA 0.789 62.207 61.300 0.197 0.000 1.378 418 I CB -0.089 38.074 38.000 0.272 0.000 1.076 418 I HN 0.341 nan 8.210 nan 0.000 0.415 419 S N -0.688 115.183 115.700 0.286 0.000 2.614 419 S HA 0.355 4.826 4.470 0.002 0.000 0.275 419 S C -2.208 172.469 174.600 0.128 0.000 1.161 419 S CA -1.258 57.014 58.200 0.120 0.000 0.969 419 S CB 1.621 64.754 63.200 -0.111 0.000 1.059 419 S HN -0.222 nan 8.310 nan 0.000 0.482 420 P HA -0.081 nan 4.420 nan 0.000 0.219 420 P C 1.099 178.429 177.300 0.050 0.000 1.146 420 P CA 0.877 64.016 63.100 0.064 0.000 0.808 420 P CB 0.180 31.898 31.700 0.030 0.000 0.779 421 Q N -1.649 118.128 119.800 -0.038 0.000 2.500 421 Q HA -0.016 4.325 4.340 0.002 0.000 0.213 421 Q C 0.232 176.247 176.000 0.026 0.000 0.974 421 Q CA 0.580 56.338 55.803 -0.075 0.000 0.918 421 Q CB -0.677 27.948 28.738 -0.190 0.000 0.980 421 Q HN 0.320 nan 8.270 nan 0.000 0.505 422 F N 0.703 120.762 119.950 0.182 0.000 2.467 422 F HA 0.127 4.655 4.527 0.002 0.000 0.362 422 F C 0.819 176.721 175.800 0.170 0.000 1.090 422 F CA -0.134 58.014 58.000 0.246 0.000 1.202 422 F CB 0.746 39.828 39.000 0.136 0.000 1.113 422 F HN -0.299 nan 8.300 nan 0.000 0.541 423 S N 0.819 116.780 115.700 0.436 0.000 2.715 423 S HA 0.283 4.754 4.470 0.002 0.000 0.307 423 S C 0.942 175.648 174.600 0.177 0.000 1.119 423 S CA -0.719 57.631 58.200 0.250 0.000 0.937 423 S CB 1.782 65.112 63.200 0.217 0.000 1.150 423 S HN 0.551 nan 8.310 nan 0.000 0.521 424 S N 1.978 117.743 115.700 0.109 0.000 2.392 424 S HA -0.193 4.278 4.470 0.002 0.000 0.232 424 S C 1.331 175.965 174.600 0.057 0.000 1.041 424 S CA 1.937 60.173 58.200 0.061 0.000 1.026 424 S CB -0.644 62.584 63.200 0.046 0.000 0.845 424 S HN 0.896 nan 8.310 nan 0.000 0.465 425 D N 1.477 121.938 120.400 0.103 0.000 2.390 425 D HA -0.030 4.611 4.640 0.002 0.000 0.235 425 D C 1.262 177.584 176.300 0.035 0.000 1.040 425 D CA 0.156 54.219 54.000 0.105 0.000 0.923 425 D CB -0.645 40.254 40.800 0.165 0.000 0.886 425 D HN 0.322 nan 8.370 nan 0.000 0.532 426 V N 0.849 120.696 119.914 -0.113 0.000 2.809 426 V HA -0.220 3.901 4.120 0.002 0.000 0.256 426 V C 2.612 178.600 176.094 -0.177 0.000 1.080 426 V CA 1.509 63.522 62.300 -0.477 0.000 1.102 426 V CB -0.818 30.759 31.823 -0.409 0.000 0.705 426 V HN 0.407 nan 8.190 nan 0.000 0.475 427 S N -0.233 115.456 115.700 -0.019 0.000 2.419 427 S HA -0.278 4.193 4.470 0.002 0.000 0.235 427 S C 1.845 176.470 174.600 0.042 0.000 1.019 427 S CA 1.116 59.365 58.200 0.081 0.000 0.982 427 S CB -0.400 62.818 63.200 0.030 0.000 0.789 427 S HN 0.567 nan 8.310 nan 0.000 0.490 428 Q N 0.899 120.681 119.800 -0.029 0.000 2.224 428 Q HA 0.038 4.379 4.340 0.002 0.000 0.203 428 Q C 2.451 178.377 176.000 -0.123 0.000 0.970 428 Q CA 1.099 56.877 55.803 -0.042 0.000 0.865 428 Q CB -0.733 28.005 28.738 -0.001 0.000 0.922 428 Q HN 0.601 nan 8.270 nan 0.000 0.445 429 V N 0.240 119.992 119.914 -0.271 0.000 2.343 429 V HA -0.199 3.922 4.120 0.002 0.000 0.247 429 V C 1.111 176.859 176.094 -0.577 0.000 1.051 429 V CA 1.239 63.252 62.300 -0.478 0.000 1.036 429 V CB -0.592 30.754 31.823 -0.796 0.000 0.654 429 V HN 0.185 nan 8.190 nan 0.000 0.451 430 F N 1.926 121.784 119.950 -0.154 0.000 2.666 430 F HA 0.341 4.869 4.527 0.002 0.000 0.362 430 F C 0.631 176.247 175.800 -0.307 0.000 1.190 430 F CA 0.130 57.994 58.000 -0.226 0.000 1.328 430 F CB -0.570 38.306 39.000 -0.205 0.000 1.682 430 F HN 0.142 nan 8.300 nan 0.000 0.623 431 N N 0.474 119.027 118.700 -0.246 0.000 2.425 431 N HA 0.112 4.853 4.740 0.002 0.000 0.289 431 N C 0.073 175.460 175.510 -0.206 0.000 1.074 431 N CA -0.399 52.497 53.050 -0.256 0.000 0.905 431 N CB 0.795 39.221 38.487 -0.102 0.000 1.586 431 N HN 0.027 nan 8.380 nan 0.000 0.490 432 F N 1.742 121.707 119.950 0.025 0.000 2.259 432 F HA -0.013 4.515 4.527 0.001 0.000 0.298 432 F C 2.261 178.076 175.800 0.024 0.000 1.088 432 F CA 0.518 58.530 58.000 0.019 0.000 1.358 432 F CB -0.336 38.670 39.000 0.010 0.000 1.040 432 F HN 0.322 nan 8.300 nan 0.000 0.505 433 V N 0.313 120.334 119.914 0.178 0.000 2.307 433 V HA -0.262 3.859 4.120 0.002 0.000 0.245 433 V C 2.112 178.259 176.094 0.090 0.000 1.045 433 V CA 1.822 64.193 62.300 0.118 0.000 1.024 433 V CB -0.675 31.196 31.823 0.080 0.000 0.651 433 V HN 0.267 nan 8.190 nan 0.000 0.449 434 N N 0.079 118.811 118.700 0.054 0.000 2.205 434 N HA -0.153 4.588 4.740 0.002 0.000 0.186 434 N C 2.102 177.636 175.510 0.040 0.000 1.015 434 N CA 1.678 54.743 53.050 0.025 0.000 0.862 434 N CB -0.572 37.908 38.487 -0.011 0.000 0.986 434 N HN 0.459 nan 8.380 nan 0.000 0.429 435 S N 0.573 116.322 115.700 0.082 0.000 2.354 435 S HA -0.132 4.339 4.470 0.002 0.000 0.219 435 S C 2.131 176.862 174.600 0.219 0.000 1.035 435 S CA 1.992 60.274 58.200 0.136 0.000 1.037 435 S CB -0.546 62.785 63.200 0.218 0.000 0.956 435 S HN 0.221 nan 8.310 nan 0.000 0.428 436 V N 0.173 120.222 119.914 0.226 0.000 2.490 436 V HA -0.000 4.121 4.120 0.002 0.000 0.250 436 V C 2.134 178.386 176.094 0.263 0.000 1.061 436 V CA 1.918 64.385 62.300 0.278 0.000 1.064 436 V CB -1.015 30.902 31.823 0.158 0.000 0.670 436 V HN 0.323 nan 8.190 nan 0.000 0.461 437 E N 0.652 120.930 120.200 0.130 0.000 2.409 437 E HA -0.157 4.194 4.350 0.002 0.000 0.198 437 E C 2.252 178.845 176.600 -0.012 0.000 1.024 437 E CA 1.101 57.540 56.400 0.065 0.000 0.861 437 E CB -0.276 29.446 29.700 0.037 0.000 0.788 437 E HN 0.815 nan 8.360 nan 0.000 0.521 438 Q N -0.540 119.191 119.800 -0.115 0.000 2.170 438 Q HA -0.134 4.207 4.340 0.002 0.000 0.203 438 Q C 0.270 176.000 176.000 -0.450 0.000 0.976 438 Q CA 0.891 56.478 55.803 -0.361 0.000 0.858 438 Q CB -0.178 28.166 28.738 -0.655 0.000 0.907 438 Q HN 0.384 nan 8.270 nan 0.000 0.433 439 Y N 0.933 121.237 120.300 0.007 0.000 2.851 439 Y HA 0.047 4.598 4.550 0.001 0.000 0.369 439 Y C 1.323 177.225 175.900 0.003 0.000 1.226 439 Y CA 0.178 58.280 58.100 0.004 0.000 1.949 439 Y CB -0.502 37.961 38.460 0.005 0.000 2.059 439 Y HN 0.099 nan 8.280 nan 0.000 0.420 440 T N -2.701 111.877 114.554 0.040 0.000 3.067 440 T HA 0.254 4.605 4.350 0.002 0.000 0.257 440 T C 1.149 175.870 174.700 0.035 0.000 1.105 440 T CA 0.114 62.235 62.100 0.035 0.000 1.104 440 T CB -0.016 68.855 68.868 0.004 0.000 0.925 440 T HN 0.435 nan 8.240 nan 0.000 0.498 441 A N 2.627 125.469 122.820 0.037 0.000 2.540 441 A HA 0.440 4.761 4.320 0.002 0.000 0.239 441 A C 0.357 177.965 177.584 0.041 0.000 1.061 441 A CA -0.604 51.453 52.037 0.032 0.000 0.758 441 A CB -0.342 18.679 19.000 0.036 0.000 0.991 441 A HN 0.356 nan 8.150 nan 0.000 0.502 442 L N 2.101 123.339 121.223 0.024 0.000 2.678 442 L HA 0.188 4.529 4.340 0.002 0.000 0.285 442 L C 1.642 178.524 176.870 0.019 0.000 1.233 442 L CA 2.256 57.107 54.840 0.018 0.000 0.920 442 L CB -0.805 41.259 42.059 0.009 0.000 1.176 442 L HN 1.424 nan 8.230 nan 0.000 0.495 443 G N 2.049 110.857 108.800 0.014 0.000 2.234 443 G HA2 -0.181 3.780 3.960 0.002 0.000 0.235 443 G HA3 -0.181 3.780 3.960 0.002 0.000 0.235 443 G C 0.668 175.573 174.900 0.009 0.000 0.997 443 G CA 0.091 45.192 45.100 0.003 0.000 0.623 443 G HN 1.085 nan 8.290 nan 0.000 0.514 444 G N -0.820 108.008 108.800 0.046 0.000 2.683 444 G HA2 0.420 4.381 3.960 0.002 0.000 0.260 444 G HA3 0.420 4.381 3.960 0.002 0.000 0.260 444 G C 1.002 175.933 174.900 0.051 0.000 1.238 444 G CA 1.097 46.244 45.100 0.078 0.000 0.934 444 G HN 0.760 nan 8.290 nan 0.000 0.534 445 T N -0.559 114.023 114.554 0.047 0.000 3.129 445 T HA 0.388 4.739 4.350 0.002 0.000 0.251 445 T C 1.296 176.049 174.700 0.089 0.000 1.117 445 T CA 0.631 62.748 62.100 0.029 0.000 1.034 445 T CB -0.760 68.081 68.868 -0.045 0.000 0.968 445 T HN 0.819 nan 8.240 nan 0.000 0.526 446 A N 1.226 124.129 122.820 0.137 0.000 2.511 446 A HA 0.292 4.613 4.320 0.002 0.000 0.242 446 A C 1.527 179.152 177.584 0.069 0.000 1.069 446 A CA -0.057 52.048 52.037 0.113 0.000 0.763 446 A CB 0.109 19.171 19.000 0.103 0.000 1.001 446 A HN 0.559 nan 8.150 nan 0.000 0.498 447 K N 1.658 122.094 120.400 0.060 0.000 2.107 447 K HA -0.247 4.074 4.320 0.002 0.000 0.211 447 K C 2.158 178.778 176.600 0.034 0.000 1.049 447 K CA 2.401 58.715 56.287 0.045 0.000 0.927 447 K CB -0.181 32.345 32.500 0.043 0.000 0.714 447 K HN 0.902 nan 8.250 nan 0.000 0.452 448 S N -0.507 115.212 115.700 0.033 0.000 2.368 448 S HA -0.151 4.320 4.470 0.002 0.000 0.225 448 S C 2.150 176.763 174.600 0.022 0.000 1.030 448 S CA 1.581 59.795 58.200 0.024 0.000 0.999 448 S CB -0.509 62.703 63.200 0.021 0.000 0.844 448 S HN 0.352 nan 8.310 nan 0.000 0.459 449 S N 0.712 116.429 115.700 0.029 0.000 2.382 449 S HA -0.038 4.433 4.470 0.002 0.000 0.228 449 S C 1.809 176.418 174.600 0.014 0.000 1.027 449 S CA 1.201 59.416 58.200 0.024 0.000 0.991 449 S CB -0.638 62.586 63.200 0.039 0.000 0.823 449 S HN 0.434 nan 8.310 nan 0.000 0.469 450 V N 1.272 121.197 119.914 0.017 0.000 2.427 450 V HA -0.103 4.018 4.120 0.002 0.000 0.248 450 V C 2.608 178.703 176.094 0.003 0.000 1.051 450 V CA 2.159 64.463 62.300 0.006 0.000 1.048 450 V CB -1.228 30.604 31.823 0.014 0.000 0.666 450 V HN 0.536 nan 8.190 nan 0.000 0.456 451 T N -0.503 114.057 114.554 0.010 0.000 2.777 451 T HA -0.185 4.166 4.350 0.002 0.000 0.266 451 T C 1.983 176.685 174.700 0.002 0.000 1.040 451 T CA 2.049 64.153 62.100 0.008 0.000 1.141 451 T CB -0.378 68.497 68.868 0.012 0.000 0.868 451 T HN 0.508 nan 8.240 nan 0.000 0.444 452 T N 2.302 116.858 114.554 0.003 0.000 2.759 452 T HA -0.132 4.219 4.350 0.002 0.000 0.269 452 T C 2.148 176.844 174.700 -0.007 0.000 1.042 452 T CA 1.185 63.285 62.100 -0.000 0.000 1.140 452 T CB -0.275 68.594 68.868 0.002 0.000 0.864 452 T HN 0.479 nan 8.240 nan 0.000 0.455 453 Q N 0.121 119.914 119.800 -0.011 0.000 2.050 453 Q HA -0.002 4.339 4.340 0.002 0.000 0.202 453 Q C 2.381 178.367 176.000 -0.023 0.000 0.980 453 Q CA 1.219 57.009 55.803 -0.022 0.000 0.840 453 Q CB -0.337 28.382 28.738 -0.032 0.000 0.898 453 Q HN 0.506 nan 8.270 nan 0.000 0.424 454 I N 0.900 121.459 120.570 -0.020 0.000 2.208 454 I HA -0.304 3.867 4.170 0.002 0.000 0.245 454 I C 2.043 178.153 176.117 -0.013 0.000 1.097 454 I CA 1.371 62.660 61.300 -0.018 0.000 1.363 454 I CB -0.210 37.784 38.000 -0.011 0.000 1.051 454 I HN 0.255 nan 8.210 nan 0.000 0.413 455 E N 0.292 120.487 120.200 -0.009 0.000 2.047 455 E HA -0.258 4.093 4.350 0.002 0.000 0.191 455 E C 2.230 178.825 176.600 -0.009 0.000 0.987 455 E CA 1.073 57.469 56.400 -0.006 0.000 0.799 455 E CB -0.145 29.553 29.700 -0.003 0.000 0.752 455 E HN 0.548 nan 8.360 nan 0.000 0.449 456 Q N 0.341 120.134 119.800 -0.011 0.000 2.061 456 Q HA -0.158 4.183 4.340 0.002 0.000 0.204 456 Q C 2.315 178.306 176.000 -0.015 0.000 0.984 456 Q CA 1.007 56.802 55.803 -0.013 0.000 0.846 456 Q CB -0.036 28.693 28.738 -0.015 0.000 0.902 456 Q HN 0.250 nan 8.270 nan 0.000 0.421 457 L N 0.345 121.556 121.223 -0.020 0.000 2.093 457 L HA -0.162 4.179 4.340 0.002 0.000 0.208 457 L C 2.338 179.198 176.870 -0.016 0.000 1.085 457 L CA 1.589 56.415 54.840 -0.022 0.000 0.755 457 L CB -0.702 41.338 42.059 -0.032 0.000 0.904 457 L HN 0.263 nan 8.230 nan 0.000 0.435 458 R N -0.366 120.126 120.500 -0.013 0.000 2.073 458 R HA -0.163 4.178 4.340 0.002 0.000 0.234 458 R C 2.171 178.466 176.300 -0.008 0.000 1.134 458 R CA 1.059 57.153 56.100 -0.009 0.000 0.952 458 R CB -0.059 30.237 30.300 -0.006 0.000 0.850 458 R HN 0.273 nan 8.270 nan 0.000 0.433 459 E N 0.751 120.946 120.200 -0.008 0.000 2.110 459 E HA -0.159 4.192 4.350 0.002 0.000 0.193 459 E C 2.059 178.654 176.600 -0.008 0.000 0.988 459 E CA 0.884 57.280 56.400 -0.007 0.000 0.804 459 E CB -0.114 29.582 29.700 -0.006 0.000 0.745 459 E HN 0.332 nan 8.360 nan 0.000 0.458 460 L N 0.026 121.243 121.223 -0.009 0.000 1.994 460 L HA -0.188 4.153 4.340 0.002 0.000 0.208 460 L C 2.641 179.507 176.870 -0.008 0.000 1.071 460 L CA 1.164 55.999 54.840 -0.009 0.000 0.745 460 L CB -0.284 41.769 42.059 -0.011 0.000 0.892 460 L HN 0.178 nan 8.230 nan 0.000 0.431 461 M N -0.805 118.790 119.600 -0.008 0.000 2.149 461 M HA -0.282 4.199 4.480 0.002 0.000 0.261 461 M C 2.303 178.599 176.300 -0.008 0.000 1.064 461 M CA 1.696 56.992 55.300 -0.007 0.000 1.102 461 M CB -0.382 32.214 32.600 -0.007 0.000 1.369 461 M HN 0.151 nan 8.290 nan 0.000 0.408 462 K N 0.923 121.318 120.400 -0.008 0.000 1.985 462 K HA -0.174 4.147 4.320 0.002 0.000 0.210 462 K C 1.881 178.475 176.600 -0.010 0.000 1.047 462 K CA 1.583 57.865 56.287 -0.008 0.000 0.932 462 K CB 0.030 32.526 32.500 -0.007 0.000 0.716 462 K HN 0.177 nan 8.250 nan 0.000 0.439 463 K N 0.559 120.954 120.400 -0.009 0.000 2.074 463 K HA -0.179 4.142 4.320 0.002 0.000 0.209 463 K C 1.642 178.235 176.600 -0.011 0.000 1.048 463 K CA 1.563 57.845 56.287 -0.009 0.000 0.926 463 K CB -0.069 32.427 32.500 -0.008 0.000 0.713 463 K HN 0.330 nan 8.250 nan 0.000 0.444 464 Q N 1.066 120.860 119.800 -0.011 0.000 2.425 464 Q HA -0.023 4.318 4.340 0.002 0.000 0.213 464 Q C -0.489 175.499 176.000 -0.019 0.000 0.950 464 Q CA 0.709 56.504 55.803 -0.013 0.000 0.979 464 Q CB -0.107 28.625 28.738 -0.009 0.000 0.997 464 Q HN 0.218 nan 8.270 nan 0.000 0.509 465 K N 0.000 120.389 120.400 -0.019 0.000 2.780 465 K HA 0.000 4.321 4.320 0.002 0.000 0.191 465 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 465 K CB 0.000 32.488 32.500 -0.021 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543