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 2qyf_1_D DATA FIRST_RESID 54 DATA SEQUENCE CXVPVVFPGP VSQEGCCQFT CELLKHIXYQ RQQLPLPYEQ LKHXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXVSSRK CQQALAELES VLSHLEDFFA RTLVPRVLIL DATA SEQUENCE LGGNALSPKE FYELDLSLLA XXXXXXXLST AACLRRLFRA IFXADAFSEL DATA SEQUENCE QAPPLXGTVV XAQGHRNCGE DWFRPKLNYR VPSRGHKLTV TLSCGRPSIR DATA SEQUENCE TTAWEDYIWF QAPVTFKGFR 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 54 C HA 0.000 nan 4.460 nan 0.000 0.325 54 C C 0.000 175.015 174.990 0.042 0.000 1.270 54 C CA 0.000 59.006 59.018 -0.020 0.000 1.963 54 C CB 0.000 27.672 27.740 -0.113 0.000 2.134 57 P HA 0.661 nan 4.420 nan 0.000 0.292 57 P C -1.188 176.015 177.300 -0.162 0.000 1.283 57 P CA -0.567 62.474 63.100 -0.099 0.000 0.835 57 P CB 2.317 33.972 31.700 -0.074 0.000 1.017 58 V N 3.231 122.992 119.914 -0.256 0.000 2.482 58 V HA 0.236 4.362 4.120 0.010 0.000 0.295 58 V C -0.048 175.707 176.094 -0.564 0.000 1.026 58 V CA -0.745 61.294 62.300 -0.435 0.000 0.856 58 V CB 2.151 33.606 31.823 -0.612 0.000 1.001 58 V HN 0.250 nan 8.190 nan 0.000 0.424 59 V N 5.327 124.984 119.914 -0.428 0.000 2.350 59 V HA 0.482 4.608 4.120 0.010 0.000 0.276 59 V C -0.281 175.635 176.094 -0.296 0.000 1.028 59 V CA -0.368 61.742 62.300 -0.317 0.000 0.860 59 V CB 1.066 32.810 31.823 -0.131 0.000 0.990 59 V HN 0.658 nan 8.190 nan 0.000 0.453 60 F N 6.194 126.131 119.950 -0.022 0.000 2.396 60 F HA 0.374 4.904 4.527 0.005 0.000 0.343 60 F C -1.050 174.755 175.800 0.008 0.000 1.104 60 F CA -1.989 56.004 58.000 -0.012 0.000 1.161 60 F CB 1.431 40.434 39.000 0.004 0.000 1.146 60 F HN 0.372 nan 8.300 nan 0.000 0.522 61 P HA 0.187 nan 4.420 nan 0.000 0.259 61 P C 0.020 177.381 177.300 0.101 0.000 1.480 61 P CA 0.399 63.568 63.100 0.115 0.000 0.842 61 P CB 0.147 31.901 31.700 0.090 0.000 1.513 62 G N 0.427 109.304 108.800 0.128 0.000 2.313 62 G HA2 0.327 4.293 3.960 0.010 0.000 0.296 62 G HA3 0.327 4.293 3.960 0.010 0.000 0.296 62 G C -3.501 171.465 174.900 0.108 0.000 1.356 62 G CA -0.860 44.296 45.100 0.094 0.000 0.833 62 G HN -0.179 nan 8.290 nan 0.000 0.552 63 P HA 0.577 nan 4.420 nan 0.000 0.276 63 P C -0.546 176.789 177.300 0.058 0.000 1.252 63 P CA -0.484 62.664 63.100 0.081 0.000 0.802 63 P CB 2.031 33.766 31.700 0.058 0.000 1.035 64 V N 0.699 120.656 119.914 0.071 0.000 2.881 64 V HA 0.471 4.597 4.120 0.010 0.000 0.316 64 V C 0.179 176.275 176.094 0.003 0.000 1.070 64 V CA -0.480 61.837 62.300 0.029 0.000 0.976 64 V CB 1.956 33.834 31.823 0.091 0.000 1.038 64 V HN 0.878 nan 8.190 nan 0.000 0.446 65 S N 3.151 118.817 115.700 -0.057 0.000 2.646 65 S HA 0.279 4.755 4.470 0.010 0.000 0.276 65 S C 0.695 175.247 174.600 -0.081 0.000 1.222 65 S CA 0.092 58.257 58.200 -0.059 0.000 1.014 65 S CB 1.479 64.633 63.200 -0.077 0.000 0.991 65 S HN 0.810 nan 8.310 nan 0.000 0.533 66 Q N 0.564 120.350 119.800 -0.023 0.000 2.181 66 Q HA -0.177 4.169 4.340 0.010 0.000 0.205 66 Q C 1.810 177.769 176.000 -0.069 0.000 0.980 66 Q CA 2.206 58.026 55.803 0.028 0.000 0.862 66 Q CB -0.395 28.390 28.738 0.078 0.000 0.905 66 Q HN 0.882 nan 8.270 nan 0.000 0.429 67 E N -0.633 119.491 120.200 -0.126 0.000 2.047 67 E HA -0.080 4.276 4.350 0.010 0.000 0.191 67 E C 1.874 178.256 176.600 -0.363 0.000 0.987 67 E CA 1.820 58.103 56.400 -0.195 0.000 0.799 67 E CB -1.095 28.526 29.700 -0.132 0.000 0.752 67 E HN 0.416 nan 8.360 nan 0.000 0.449 68 G N 0.265 108.809 108.800 -0.427 0.000 2.476 68 G HA2 -0.337 3.629 3.960 0.010 0.000 0.218 68 G HA3 -0.337 3.629 3.960 0.010 0.000 0.218 68 G C 1.963 175.973 174.900 -1.482 0.000 1.164 68 G CA 1.284 45.885 45.100 -0.831 0.000 0.768 68 G HN 0.457 nan 8.290 nan 0.000 0.560 69 C N -0.399 118.326 119.300 -0.957 0.000 2.413 69 C HA -0.094 4.372 4.460 0.010 0.000 0.277 69 C C 3.076 177.633 174.990 -0.722 0.000 1.265 69 C CA 0.580 59.229 59.018 -0.614 0.000 1.752 69 C CB -1.381 26.364 27.740 0.008 0.000 1.998 69 C HN 0.660 nan 8.230 nan 0.000 0.489 70 C N 0.717 119.401 119.300 -1.026 0.000 2.436 70 C HA -0.170 4.296 4.460 0.010 0.000 0.277 70 C C 2.829 177.429 174.990 -0.650 0.000 1.241 70 C CA 1.545 59.737 59.018 -1.377 0.000 1.721 70 C CB -1.438 25.720 27.740 -0.970 0.000 2.043 70 C HN 0.645 nan 8.230 nan 0.000 0.472 71 Q N -0.650 118.861 119.800 -0.482 0.000 2.135 71 Q HA -0.173 4.173 4.340 0.010 0.000 0.204 71 Q C 2.026 178.002 176.000 -0.039 0.000 0.981 71 Q CA 1.728 57.385 55.803 -0.243 0.000 0.856 71 Q CB -0.403 28.215 28.738 -0.201 0.000 0.902 71 Q HN 0.704 nan 8.270 nan 0.000 0.425 72 F N 0.629 120.522 119.950 -0.095 0.000 2.126 72 F HA -0.172 4.363 4.527 0.015 0.000 0.299 72 F C 2.498 178.289 175.800 -0.015 0.000 1.096 72 F CA 1.206 59.184 58.000 -0.037 0.000 1.255 72 F CB -1.341 37.649 39.000 -0.017 0.000 0.997 72 F HN 0.004 nan 8.300 nan 0.000 0.479 73 T N -0.838 113.777 114.554 0.101 0.000 2.737 73 T HA -0.156 4.200 4.350 0.010 0.000 0.265 73 T C 2.249 177.004 174.700 0.090 0.000 1.038 73 T CA 1.648 63.814 62.100 0.110 0.000 1.144 73 T CB -0.773 68.145 68.868 0.084 0.000 0.866 73 T HN 0.308 nan 8.240 nan 0.000 0.434 74 C N 1.465 120.769 119.300 0.006 0.000 2.466 74 C HA 0.034 4.500 4.460 0.010 0.000 0.278 74 C C 2.836 177.842 174.990 0.026 0.000 1.288 74 C CA 0.239 59.250 59.018 -0.012 0.000 1.722 74 C CB -0.790 26.900 27.740 -0.084 0.000 2.017 74 C HN 0.505 nan 8.230 nan 0.000 0.488 75 E N 0.808 121.078 120.200 0.116 0.000 2.077 75 E HA -0.145 4.211 4.350 0.010 0.000 0.193 75 E C 2.002 178.859 176.600 0.428 0.000 0.989 75 E CA 0.757 57.300 56.400 0.238 0.000 0.800 75 E CB -0.716 29.199 29.700 0.358 0.000 0.746 75 E HN 0.491 nan 8.360 nan 0.000 0.452 76 L N 1.034 122.501 121.223 0.407 0.000 2.012 76 L HA -0.158 4.188 4.340 0.010 0.000 0.210 76 L C 2.320 179.346 176.870 0.260 0.000 1.073 76 L CA 1.365 56.426 54.840 0.368 0.000 0.748 76 L CB -0.945 41.224 42.059 0.182 0.000 0.891 76 L HN 0.149 nan 8.230 nan 0.000 0.431 77 L N -0.192 121.123 121.223 0.152 0.000 2.012 77 L HA -0.244 4.102 4.340 0.010 0.000 0.210 77 L C 2.484 179.362 176.870 0.013 0.000 1.073 77 L CA 1.939 56.822 54.840 0.071 0.000 0.748 77 L CB -0.815 41.273 42.059 0.047 0.000 0.891 77 L HN 0.275 nan 8.230 nan 0.000 0.431 78 K N -1.538 118.856 120.400 -0.010 0.000 2.103 78 K HA -0.271 4.055 4.320 0.010 0.000 0.207 78 K C 2.197 178.811 176.600 0.024 0.000 1.048 78 K CA 1.741 58.000 56.287 -0.048 0.000 0.930 78 K CB -0.418 32.031 32.500 -0.085 0.000 0.716 78 K HN 0.506 nan 8.250 nan 0.000 0.444 79 H N 0.657 119.719 119.070 -0.013 0.000 2.363 79 H HA 0.072 4.635 4.556 0.012 0.000 0.301 79 H C 0.718 175.922 175.328 -0.206 0.000 1.074 79 H CA 0.798 56.811 56.048 -0.057 0.000 1.354 79 H CB -0.010 29.818 29.762 0.109 0.000 1.397 79 H HN -0.029 nan 8.280 nan 0.000 0.516 83 Q N 1.083 120.584 119.800 -0.499 0.000 2.226 83 Q HA -0.030 4.316 4.340 0.010 0.000 0.204 83 Q C 0.936 176.696 176.000 -0.400 0.000 0.975 83 Q CA 1.248 56.675 55.803 -0.625 0.000 0.866 83 Q CB -0.069 27.936 28.738 -1.223 0.000 0.915 83 Q HN 0.362 nan 8.270 nan 0.000 0.440 84 R N 0.679 121.004 120.500 -0.292 0.000 2.388 84 R HA 0.104 4.449 4.340 0.010 0.000 0.247 84 R C -0.009 176.219 176.300 -0.120 0.000 0.931 84 R CA -0.068 55.973 56.100 -0.097 0.000 1.082 84 R CB -0.005 30.316 30.300 0.035 0.000 1.135 84 R HN 0.349 nan 8.270 nan 0.000 0.525 85 Q N 0.068 119.722 119.800 -0.243 0.000 2.487 85 Q HA -0.197 4.149 4.340 0.010 0.000 0.279 85 Q C 0.232 176.137 176.000 -0.158 0.000 1.228 85 Q CA 0.583 56.234 55.803 -0.253 0.000 0.873 85 Q CB -1.091 27.524 28.738 -0.206 0.000 1.260 85 Q HN 0.209 nan 8.270 nan 0.000 0.471 86 Q N -0.417 119.318 119.800 -0.107 0.000 2.319 86 Q HA 0.257 4.603 4.340 0.010 0.000 0.202 86 Q C 0.316 176.232 176.000 -0.139 0.000 0.896 86 Q CA 0.621 56.400 55.803 -0.041 0.000 0.942 86 Q CB 0.772 29.597 28.738 0.145 0.000 1.083 86 Q HN 0.504 nan 8.270 nan 0.000 0.510 87 L N 1.429 122.535 121.223 -0.195 0.000 2.401 87 L HA 0.308 4.654 4.340 0.010 0.000 0.266 87 L C -1.682 175.074 176.870 -0.191 0.000 0.991 87 L CA -1.813 52.836 54.840 -0.319 0.000 0.818 87 L CB 2.570 44.593 42.059 -0.061 0.000 1.321 87 L HN -0.212 nan 8.230 nan 0.000 0.413 88 P HA -0.011 nan 4.420 nan 0.000 0.219 88 P C -0.017 177.392 177.300 0.182 0.000 1.150 88 P CA 1.064 64.157 63.100 -0.011 0.000 0.814 88 P CB 0.888 32.604 31.700 0.027 0.000 0.787 89 L N -1.533 119.811 121.223 0.202 0.000 2.415 89 L HA 0.492 4.838 4.340 0.010 0.000 0.256 89 L C -2.741 174.132 176.870 0.005 0.000 1.010 89 L CA -2.954 51.976 54.840 0.151 0.000 0.826 89 L CB 2.451 44.530 42.059 0.033 0.000 1.405 89 L HN -0.397 nan 8.230 nan 0.000 0.410 90 P HA -0.046 nan 4.420 nan 0.000 0.267 90 P C 0.009 177.273 177.300 -0.061 0.000 1.200 90 P CA 0.097 63.005 63.100 -0.320 0.000 0.772 90 P CB 0.373 31.797 31.700 -0.460 0.000 0.855 91 Y N 3.152 123.396 120.300 -0.093 0.000 2.102 91 Y HA -0.324 4.231 4.550 0.009 0.000 0.280 91 Y C 1.930 177.806 175.900 -0.040 0.000 1.178 91 Y CA 1.941 60.012 58.100 -0.048 0.000 1.146 91 Y CB -0.211 38.217 38.460 -0.054 0.000 0.968 91 Y HN 0.332 nan 8.280 nan 0.000 0.504 92 E N 0.266 120.500 120.200 0.056 0.000 2.150 92 E HA -0.196 4.160 4.350 0.010 0.000 0.193 92 E C 2.081 178.633 176.600 -0.080 0.000 0.985 92 E CA 1.391 57.771 56.400 -0.034 0.000 0.814 92 E CB -0.288 29.426 29.700 0.024 0.000 0.752 92 E HN 0.724 nan 8.360 nan 0.000 0.466 93 Q N 0.051 119.814 119.800 -0.063 0.000 2.230 93 Q HA -0.014 4.332 4.340 0.010 0.000 0.202 93 Q C 2.383 178.368 176.000 -0.026 0.000 0.963 93 Q CA 0.525 56.311 55.803 -0.027 0.000 0.866 93 Q CB -0.050 28.654 28.738 -0.056 0.000 0.931 93 Q HN 0.254 nan 8.270 nan 0.000 0.452 94 L N 0.996 122.173 121.223 -0.076 0.000 2.042 94 L HA -0.226 4.120 4.340 0.010 0.000 0.210 94 L C 2.060 178.890 176.870 -0.065 0.000 1.076 94 L CA 1.096 55.900 54.840 -0.060 0.000 0.749 94 L CB -0.468 41.541 42.059 -0.082 0.000 0.893 94 L HN 0.137 nan 8.230 nan 0.000 0.432 95 K N -1.257 119.063 120.400 -0.133 0.000 2.442 95 K HA -0.041 4.285 4.320 0.010 0.000 0.198 95 K C 0.570 177.172 176.600 0.004 0.000 1.042 95 K CA 0.604 56.827 56.287 -0.108 0.000 0.958 95 K CB -0.362 32.026 32.500 -0.186 0.000 0.766 95 K HN 0.297 nan 8.250 nan 0.000 0.474 120 S N 1.908 117.607 115.700 -0.000 0.000 2.359 120 S HA -0.244 4.231 4.470 0.010 0.000 0.224 120 S C 2.087 176.689 174.600 0.004 0.000 1.035 120 S CA 2.232 60.436 58.200 0.006 0.000 1.018 120 S CB -0.386 62.822 63.200 0.013 0.000 0.876 120 S HN 0.900 nan 8.310 nan 0.000 0.448 121 S N 2.000 117.701 115.700 0.002 0.000 2.406 121 S HA -0.011 4.465 4.470 0.010 0.000 0.228 121 S C 1.834 176.427 174.600 -0.012 0.000 1.020 121 S CA 0.509 58.708 58.200 -0.000 0.000 0.965 121 S CB -0.288 62.912 63.200 -0.000 0.000 0.798 121 S HN 0.406 nan 8.310 nan 0.000 0.488 122 R N 1.211 121.702 120.500 -0.016 0.000 2.066 122 R HA 0.056 4.402 4.340 0.010 0.000 0.232 122 R C 2.580 178.854 176.300 -0.044 0.000 1.131 122 R CA 1.550 57.636 56.100 -0.024 0.000 0.955 122 R CB -0.317 29.971 30.300 -0.019 0.000 0.851 122 R HN 0.468 nan 8.270 nan 0.000 0.432 123 K N 0.269 120.638 120.400 -0.051 0.000 2.103 123 K HA -0.193 4.133 4.320 0.010 0.000 0.207 123 K C 2.138 178.644 176.600 -0.157 0.000 1.048 123 K CA 1.510 57.743 56.287 -0.090 0.000 0.930 123 K CB -0.227 32.233 32.500 -0.067 0.000 0.716 123 K HN 0.211 nan 8.250 nan 0.000 0.444 124 C N 1.103 120.345 119.300 -0.097 0.000 2.457 124 C HA -0.037 4.429 4.460 0.010 0.000 0.278 124 C C 2.818 177.767 174.990 -0.069 0.000 1.309 124 C CA 0.962 59.929 59.018 -0.085 0.000 1.735 124 C CB -0.717 27.044 27.740 0.035 0.000 1.992 124 C HN 0.626 nan 8.230 nan 0.000 0.493 125 Q N -0.016 119.757 119.800 -0.044 0.000 2.020 125 Q HA -0.284 4.061 4.340 0.010 0.000 0.202 125 Q C 2.308 178.296 176.000 -0.020 0.000 0.982 125 Q CA 2.100 57.891 55.803 -0.020 0.000 0.838 125 Q CB -0.587 28.142 28.738 -0.015 0.000 0.899 125 Q HN 0.816 nan 8.270 nan 0.000 0.423 126 Q N -0.451 119.319 119.800 -0.051 0.000 2.123 126 Q HA -0.115 4.231 4.340 0.010 0.000 0.199 126 Q C 1.991 177.954 176.000 -0.062 0.000 0.966 126 Q CA 1.087 56.866 55.803 -0.040 0.000 0.845 126 Q CB -0.157 28.552 28.738 -0.049 0.000 0.907 126 Q HN 0.494 nan 8.270 nan 0.000 0.439 127 A N 0.911 123.605 122.820 -0.210 0.000 1.917 127 A HA -0.207 4.119 4.320 0.010 0.000 0.219 127 A C 1.939 179.541 177.584 0.030 0.000 1.182 127 A CA 1.480 53.276 52.037 -0.402 0.000 0.633 127 A CB -0.591 17.623 19.000 -1.310 0.000 0.819 127 A HN 0.447 nan 8.150 nan 0.000 0.448 128 L N -1.284 120.015 121.223 0.126 0.000 2.307 128 L HA 0.235 4.581 4.340 0.010 0.000 0.211 128 L C 2.685 179.706 176.870 0.251 0.000 1.099 128 L CA 1.326 56.375 54.840 0.347 0.000 0.816 128 L CB -0.479 41.740 42.059 0.267 0.000 0.952 128 L HN 0.344 nan 8.230 nan 0.000 0.455 129 A N -0.102 122.811 122.820 0.155 0.000 1.971 129 A HA -0.320 4.006 4.320 0.010 0.000 0.222 129 A C 2.088 179.761 177.584 0.149 0.000 1.182 129 A CA 2.393 54.502 52.037 0.121 0.000 0.649 129 A CB -0.592 18.456 19.000 0.079 0.000 0.818 129 A HN 0.646 nan 8.150 nan 0.000 0.458 130 E N -1.016 119.313 120.200 0.216 0.000 2.107 130 E HA -0.103 4.252 4.350 0.010 0.000 0.191 130 E C 1.916 178.652 176.600 0.226 0.000 0.982 130 E CA 0.871 57.422 56.400 0.252 0.000 0.809 130 E CB -0.292 29.603 29.700 0.325 0.000 0.756 130 E HN 0.458 nan 8.360 nan 0.000 0.459 131 L N 2.010 123.340 121.223 0.178 0.000 2.012 131 L HA -0.200 4.146 4.340 0.010 0.000 0.210 131 L C 2.119 178.983 176.870 -0.010 0.000 1.073 131 L CA 1.877 56.654 54.840 -0.105 0.000 0.748 131 L CB -0.450 41.307 42.059 -0.504 0.000 0.891 131 L HN 0.081 nan 8.230 nan 0.000 0.431 132 E N -1.492 118.766 120.200 0.095 0.000 2.110 132 E HA -0.227 4.129 4.350 0.010 0.000 0.193 132 E C 2.269 178.874 176.600 0.010 0.000 0.988 132 E CA 1.275 57.732 56.400 0.096 0.000 0.804 132 E CB -0.045 29.738 29.700 0.139 0.000 0.745 132 E HN 0.576 nan 8.360 nan 0.000 0.458 133 S N -0.306 115.407 115.700 0.021 0.000 2.355 133 S HA -0.116 4.359 4.470 0.010 0.000 0.222 133 S C 2.111 176.643 174.600 -0.114 0.000 1.031 133 S CA 1.128 59.296 58.200 -0.052 0.000 0.993 133 S CB -0.227 62.992 63.200 0.032 0.000 0.859 133 S HN 0.134 nan 8.310 nan 0.000 0.453 134 V N 2.410 122.341 119.914 0.028 0.000 2.282 134 V HA -0.224 3.902 4.120 0.010 0.000 0.249 134 V C 2.514 178.667 176.094 0.099 0.000 1.057 134 V CA 2.230 64.601 62.300 0.118 0.000 1.032 134 V CB -0.850 31.104 31.823 0.217 0.000 0.645 134 V HN 0.488 nan 8.190 nan 0.000 0.447 135 L N -0.376 120.854 121.223 0.012 0.000 2.012 135 L HA -0.214 4.132 4.340 0.010 0.000 0.210 135 L C 2.715 179.576 176.870 -0.016 0.000 1.073 135 L CA 2.067 56.894 54.840 -0.022 0.000 0.748 135 L CB -0.731 41.245 42.059 -0.138 0.000 0.891 135 L HN 0.333 nan 8.230 nan 0.000 0.431 136 S N -1.559 114.086 115.700 -0.091 0.000 2.368 136 S HA -0.191 4.285 4.470 0.010 0.000 0.225 136 S C 2.041 176.519 174.600 -0.204 0.000 1.030 136 S CA 0.935 59.031 58.200 -0.172 0.000 0.999 136 S CB -0.287 62.752 63.200 -0.270 0.000 0.844 136 S HN 0.437 nan 8.310 nan 0.000 0.459 137 H N 0.629 119.601 119.070 -0.163 0.000 2.423 137 H HA 0.093 4.655 4.556 0.009 0.000 0.297 137 H C 2.104 177.650 175.328 0.364 0.000 1.075 137 H CA 1.057 57.057 56.048 -0.080 0.000 1.342 137 H CB -0.267 29.093 29.762 -0.669 0.000 1.395 137 H HN 0.357 nan 8.280 nan 0.000 0.530 138 L N 0.546 122.050 121.223 0.469 0.000 2.046 138 L HA -0.166 4.180 4.340 0.010 0.000 0.208 138 L C 2.410 179.554 176.870 0.458 0.000 1.077 138 L CA 1.139 56.291 54.840 0.520 0.000 0.747 138 L CB -0.222 42.067 42.059 0.384 0.000 0.896 138 L HN 0.261 nan 8.230 nan 0.000 0.432 139 E N -0.000 120.336 120.200 0.227 0.000 2.049 139 E HA -0.255 4.101 4.350 0.010 0.000 0.198 139 E C 1.771 178.485 176.600 0.190 0.000 1.007 139 E CA 1.619 58.104 56.400 0.142 0.000 0.809 139 E CB -0.089 29.623 29.700 0.020 0.000 0.749 139 E HN 0.469 nan 8.360 nan 0.000 0.450 140 D N 0.066 120.571 120.400 0.176 0.000 2.117 140 D HA -0.153 4.493 4.640 0.010 0.000 0.197 140 D C 1.678 178.122 176.300 0.239 0.000 0.987 140 D CA 0.714 54.815 54.000 0.167 0.000 0.829 140 D CB -0.353 40.543 40.800 0.160 0.000 0.961 140 D HN 0.070 nan 8.370 nan 0.000 0.460 141 F N 0.480 120.533 119.950 0.173 0.000 2.102 141 F HA -0.174 4.358 4.527 0.009 0.000 0.298 141 F C 2.032 177.803 175.800 -0.049 0.000 1.105 141 F CA 1.152 59.160 58.000 0.014 0.000 1.239 141 F CB -0.410 38.519 39.000 -0.119 0.000 0.991 141 F HN -0.162 nan 8.300 nan 0.000 0.474 142 F N 0.057 120.036 119.950 0.049 0.000 2.365 142 F HA -0.061 4.472 4.527 0.010 0.000 0.300 142 F C 2.424 178.169 175.800 -0.093 0.000 1.090 142 F CA 1.005 58.974 58.000 -0.053 0.000 1.408 142 F CB -0.991 38.011 39.000 0.003 0.000 1.060 142 F HN 0.035 nan 8.300 nan 0.000 0.534 143 A N -0.366 122.506 122.820 0.087 0.000 2.119 143 A HA -0.082 4.244 4.320 0.010 0.000 0.217 143 A C 2.230 179.778 177.584 -0.061 0.000 1.153 143 A CA 0.946 52.993 52.037 0.017 0.000 0.692 143 A CB -0.408 18.609 19.000 0.028 0.000 0.799 143 A HN 0.310 nan 8.150 nan 0.000 0.458 144 R N -1.727 118.679 120.500 -0.155 0.000 2.140 144 R HA 0.101 4.447 4.340 0.010 0.000 0.213 144 R C 0.186 176.324 176.300 -0.270 0.000 1.059 144 R CA 1.140 57.110 56.100 -0.217 0.000 1.000 144 R CB 0.191 30.320 30.300 -0.285 0.000 0.910 144 R HN 0.375 nan 8.270 nan 0.000 0.455 145 T N -0.406 113.930 114.554 -0.362 0.000 2.942 145 T HA 0.331 4.687 4.350 0.010 0.000 0.327 145 T C -1.154 173.414 174.700 -0.219 0.000 1.360 145 T CA -0.729 61.187 62.100 -0.307 0.000 1.055 145 T CB 1.049 69.622 68.868 -0.493 0.000 1.261 145 T HN -0.051 nan 8.240 nan 0.000 0.485 146 L N 3.019 124.267 121.223 0.041 0.000 2.514 146 L HA 0.386 4.731 4.340 0.010 0.000 0.280 146 L C -0.180 176.679 176.870 -0.019 0.000 1.223 146 L CA -0.319 54.582 54.840 0.103 0.000 0.864 146 L CB 0.622 42.876 42.059 0.324 0.000 1.118 146 L HN 0.369 nan 8.230 nan 0.000 0.494 147 V N 4.552 124.338 119.914 -0.214 0.000 2.327 147 V HA 0.178 4.304 4.120 0.010 0.000 0.272 147 V C -1.393 174.507 176.094 -0.324 0.000 1.019 147 V CA -0.840 61.263 62.300 -0.329 0.000 0.814 147 V CB 1.201 32.594 31.823 -0.717 0.000 1.040 147 V HN 0.672 nan 8.190 nan 0.000 0.440 148 P HA -0.034 nan 4.420 nan 0.000 0.217 148 P C 0.365 177.393 177.300 -0.453 0.000 1.151 148 P CA 0.866 63.419 63.100 -0.912 0.000 0.828 148 P CB 0.685 31.272 31.700 -1.855 0.000 0.788 149 R N -1.056 119.253 120.500 -0.320 0.000 2.651 149 R HA 0.619 4.965 4.340 0.010 0.000 0.278 149 R C -1.331 175.053 176.300 0.141 0.000 1.010 149 R CA -0.802 55.266 56.100 -0.053 0.000 0.896 149 R CB 2.838 33.138 30.300 -0.000 0.000 1.211 149 R HN -0.237 nan 8.270 nan 0.000 0.456 150 V N 3.783 123.870 119.914 0.289 0.000 2.735 150 V HA 0.573 4.699 4.120 0.010 0.000 0.310 150 V C -0.724 175.598 176.094 0.379 0.000 1.061 150 V CA -0.818 61.697 62.300 0.357 0.000 0.913 150 V CB 2.186 34.191 31.823 0.303 0.000 1.005 150 V HN 0.512 nan 8.190 nan 0.000 0.428 151 L N 4.769 126.189 121.223 0.329 0.000 2.386 151 L HA 0.660 5.006 4.340 0.010 0.000 0.271 151 L C -1.095 175.922 176.870 0.244 0.000 0.993 151 L CA -0.447 54.545 54.840 0.255 0.000 0.819 151 L CB 2.312 44.388 42.059 0.029 0.000 1.294 151 L HN 0.465 nan 8.230 nan 0.000 0.414 152 I N 4.106 124.874 120.570 0.330 0.000 2.418 152 I HA 0.430 4.606 4.170 0.010 0.000 0.287 152 I C -1.031 175.324 176.117 0.396 0.000 1.008 152 I CA -0.269 61.229 61.300 0.330 0.000 1.104 152 I CB 1.773 39.972 38.000 0.332 0.000 1.264 152 I HN 0.352 nan 8.210 nan 0.000 0.438 153 L N 7.480 128.874 121.223 0.285 0.000 2.372 153 L HA 0.532 4.877 4.340 0.010 0.000 0.274 153 L C -1.124 175.877 176.870 0.219 0.000 0.988 153 L CA -0.451 54.537 54.840 0.248 0.000 0.833 153 L CB 1.570 43.695 42.059 0.110 0.000 1.236 153 L HN 0.347 nan 8.230 nan 0.000 0.410 154 L N 3.102 124.467 121.223 0.235 0.000 2.322 154 L HA 0.914 5.260 4.340 0.010 0.000 0.281 154 L C 0.711 177.660 176.870 0.133 0.000 1.014 154 L CA 0.031 54.989 54.840 0.196 0.000 0.815 154 L CB 1.582 43.788 42.059 0.243 0.000 1.247 154 L HN 0.742 nan 8.230 nan 0.000 0.421 155 G N 1.586 110.444 108.800 0.096 0.000 2.855 155 G HA2 0.282 4.247 3.960 0.010 0.000 0.352 155 G HA3 0.282 4.247 3.960 0.010 0.000 0.352 155 G C 0.550 175.481 174.900 0.052 0.000 1.415 155 G CA -0.224 44.914 45.100 0.063 0.000 0.871 155 G HN 1.379 nan 8.290 nan 0.000 0.543 156 G N 0.189 109.009 108.800 0.034 0.000 2.690 156 G HA2 0.066 4.032 3.960 0.010 0.000 0.334 156 G HA3 0.066 4.032 3.960 0.010 0.000 0.334 156 G C 0.458 175.370 174.900 0.019 0.000 1.250 156 G CA 2.145 47.258 45.100 0.023 0.000 0.994 156 G HN 2.827 nan 8.290 nan 0.000 0.549 157 N N -1.465 117.244 118.700 0.016 0.000 2.902 157 N HA 0.725 5.471 4.740 0.010 0.000 0.268 157 N C 0.926 176.445 175.510 0.016 0.000 1.450 157 N CA 0.742 53.800 53.050 0.013 0.000 0.819 157 N CB 0.847 39.336 38.487 0.004 0.000 1.540 157 N HN 1.283 nan 8.380 nan 0.000 0.545 158 A N -0.238 122.593 122.820 0.019 0.000 1.978 158 A HA -0.035 4.290 4.320 0.010 0.000 0.220 158 A C 1.742 179.384 177.584 0.096 0.000 1.170 158 A CA 1.168 53.225 52.037 0.033 0.000 0.636 158 A CB -1.082 17.917 19.000 -0.003 0.000 0.810 158 A HN 0.603 nan 8.150 nan 0.000 0.448 159 L N -0.368 120.889 121.223 0.056 0.000 2.131 159 L HA -0.017 4.329 4.340 0.010 0.000 0.206 159 L C 0.824 177.628 176.870 -0.111 0.000 1.087 159 L CA 1.190 56.000 54.840 -0.050 0.000 0.767 159 L CB -0.072 41.947 42.059 -0.066 0.000 0.917 159 L HN 0.495 nan 8.230 nan 0.000 0.441 160 S N -0.687 114.979 115.700 -0.057 0.000 2.389 160 S HA 0.430 4.906 4.470 0.010 0.000 0.201 160 S C -2.656 171.941 174.600 -0.005 0.000 1.422 160 S CA -1.315 56.857 58.200 -0.046 0.000 1.216 160 S CB 0.924 64.102 63.200 -0.036 0.000 1.130 160 S HN -0.113 nan 8.310 nan 0.000 0.465 161 P HA 0.352 nan 4.420 nan 0.000 0.276 161 P C 0.546 177.893 177.300 0.078 0.000 1.244 161 P CA -0.483 62.653 63.100 0.060 0.000 0.801 161 P CB 1.285 33.046 31.700 0.100 0.000 1.006 162 K N 0.923 121.366 120.400 0.071 0.000 2.032 162 K HA -0.151 4.174 4.320 0.010 0.000 0.209 162 K C 0.854 177.494 176.600 0.067 0.000 1.048 162 K CA 1.634 57.957 56.287 0.061 0.000 0.927 162 K CB -0.003 32.529 32.500 0.052 0.000 0.712 162 K HN 0.731 nan 8.250 nan 0.000 0.441 163 E N -1.540 118.715 120.200 0.091 0.000 2.366 163 E HA 0.389 4.744 4.350 0.010 0.000 0.278 163 E C -0.942 175.703 176.600 0.076 0.000 0.923 163 E CA -1.081 55.331 56.400 0.020 0.000 0.761 163 E CB 1.382 31.046 29.700 -0.060 0.000 1.231 163 E HN 0.021 nan 8.360 nan 0.000 0.443 164 F N -0.220 119.535 119.950 -0.325 0.000 2.645 164 F HA 0.708 5.242 4.527 0.011 0.000 0.310 164 F C -2.106 173.338 175.800 -0.594 0.000 1.102 164 F CA -1.071 56.758 58.000 -0.284 0.000 0.952 164 F CB 1.321 40.292 39.000 -0.049 0.000 1.326 164 F HN 0.406 nan 8.300 nan 0.000 0.456 165 Y N 0.692 121.079 120.300 0.145 0.000 2.425 165 Y HA 0.541 5.096 4.550 0.009 0.000 0.344 165 Y C -0.540 175.514 175.900 0.255 0.000 0.969 165 Y CA -0.979 57.145 58.100 0.041 0.000 1.052 165 Y CB 2.038 40.553 38.460 0.092 0.000 1.215 165 Y HN 0.801 nan 8.280 nan 0.000 0.451 166 E N 2.420 122.830 120.200 0.351 0.000 2.212 166 E HA 0.581 4.937 4.350 0.010 0.000 0.268 166 E C -2.015 174.745 176.600 0.266 0.000 0.902 166 E CA -1.061 55.555 56.400 0.360 0.000 0.779 166 E CB 1.689 31.632 29.700 0.405 0.000 1.172 166 E HN 0.573 nan 8.360 nan 0.000 0.409 167 L N 4.148 125.521 121.223 0.250 0.000 2.305 167 L HA 0.398 4.744 4.340 0.010 0.000 0.284 167 L C -1.273 175.699 176.870 0.170 0.000 1.013 167 L CA -0.388 54.568 54.840 0.192 0.000 0.819 167 L CB 1.516 43.698 42.059 0.206 0.000 1.227 167 L HN 0.471 nan 8.230 nan 0.000 0.417 168 D N 4.735 125.206 120.400 0.119 0.000 2.427 168 D HA 0.274 4.919 4.640 0.010 0.000 0.226 168 D C 0.229 176.560 176.300 0.051 0.000 1.076 168 D CA -0.087 53.953 54.000 0.067 0.000 0.849 168 D CB 0.969 41.803 40.800 0.056 0.000 1.052 168 D HN 0.607 nan 8.370 nan 0.000 0.515 169 L N 2.652 123.890 121.223 0.024 0.000 2.693 169 L HA 0.051 4.397 4.340 0.010 0.000 0.235 169 L C 2.359 179.229 176.870 -0.000 0.000 1.127 169 L CA -0.012 54.872 54.840 0.074 0.000 0.914 169 L CB 0.024 42.162 42.059 0.133 0.000 1.193 169 L HN 0.331 nan 8.230 nan 0.000 0.502 170 S N 0.995 116.614 115.700 -0.135 0.000 2.368 170 S HA -0.259 4.217 4.470 0.010 0.000 0.226 170 S C 1.760 176.462 174.600 0.169 0.000 1.044 170 S CA 1.382 59.477 58.200 -0.175 0.000 1.062 170 S CB -0.923 62.112 63.200 -0.275 0.000 0.931 170 S HN 0.451 nan 8.310 nan 0.000 0.440 171 L N 1.065 122.367 121.223 0.131 0.000 2.642 171 L HA 0.176 4.522 4.340 0.010 0.000 0.236 171 L C 0.402 177.371 176.870 0.166 0.000 1.169 171 L CA 0.197 55.129 54.840 0.153 0.000 0.851 171 L CB -0.820 41.294 42.059 0.092 0.000 0.968 171 L HN 0.301 nan 8.230 nan 0.000 0.453 172 L N 0.438 121.779 121.223 0.196 0.000 2.290 172 L HA 0.371 4.717 4.340 0.010 0.000 0.284 172 L C 0.897 177.877 176.870 0.183 0.000 1.078 172 L CA -0.514 54.448 54.840 0.203 0.000 0.815 172 L CB 1.155 43.364 42.059 0.249 0.000 1.162 172 L HN 0.042 nan 8.230 nan 0.000 0.435 182 S N 0.237 115.931 115.700 -0.011 0.000 2.365 182 S HA -0.195 4.281 4.470 0.010 0.000 0.225 182 S C 1.769 176.359 174.600 -0.017 0.000 1.039 182 S CA 2.693 60.885 58.200 -0.014 0.000 1.033 182 S CB -0.201 62.986 63.200 -0.020 0.000 0.887 182 S HN 0.461 nan 8.310 nan 0.000 0.447 183 T N 2.188 116.732 114.554 -0.015 0.000 2.674 183 T HA 0.007 4.362 4.350 0.010 0.000 0.265 183 T C 2.124 176.871 174.700 0.078 0.000 1.039 183 T CA 1.413 63.527 62.100 0.023 0.000 1.150 183 T CB -0.938 67.894 68.868 -0.060 0.000 0.864 183 T HN 0.563 nan 8.240 nan 0.000 0.427 184 A N 1.593 124.438 122.820 0.042 0.000 1.927 184 A HA -0.077 4.249 4.320 0.010 0.000 0.220 184 A C 2.609 180.226 177.584 0.055 0.000 1.185 184 A CA 2.236 54.303 52.037 0.050 0.000 0.639 184 A CB -1.158 17.855 19.000 0.021 0.000 0.820 184 A HN 0.550 nan 8.150 nan 0.000 0.451 185 A N -1.378 121.462 122.820 0.033 0.000 1.898 185 A HA -0.113 4.213 4.320 0.010 0.000 0.216 185 A C 2.288 179.893 177.584 0.035 0.000 1.181 185 A CA 1.614 53.670 52.037 0.031 0.000 0.620 185 A CB -1.127 17.885 19.000 0.020 0.000 0.819 185 A HN 0.641 nan 8.150 nan 0.000 0.442 186 C N -0.842 118.442 119.300 -0.026 0.000 2.450 186 C HA 0.069 4.535 4.460 0.010 0.000 0.279 186 C C 2.585 177.520 174.990 -0.092 0.000 1.335 186 C CA 0.659 59.566 59.018 -0.185 0.000 1.749 186 C CB -1.479 25.808 27.740 -0.756 0.000 1.963 186 C HN 0.611 nan 8.230 nan 0.000 0.501 187 L N 0.491 121.743 121.223 0.050 0.000 2.046 187 L HA -0.158 4.188 4.340 0.010 0.000 0.208 187 L C 2.921 179.939 176.870 0.248 0.000 1.077 187 L CA 1.541 56.486 54.840 0.174 0.000 0.747 187 L CB -0.579 41.667 42.059 0.311 0.000 0.896 187 L HN 0.327 nan 8.230 nan 0.000 0.432 188 R N -0.459 120.143 120.500 0.169 0.000 2.083 188 R HA -0.212 4.133 4.340 0.010 0.000 0.237 188 R C 2.427 178.795 176.300 0.113 0.000 1.137 188 R CA 1.660 57.842 56.100 0.136 0.000 0.951 188 R CB -0.437 29.904 30.300 0.068 0.000 0.851 188 R HN 0.297 nan 8.270 nan 0.000 0.434 189 R N 1.247 121.807 120.500 0.099 0.000 2.083 189 R HA -0.139 4.206 4.340 0.010 0.000 0.237 189 R C 2.421 178.736 176.300 0.025 0.000 1.137 189 R CA 1.458 57.607 56.100 0.081 0.000 0.951 189 R CB -0.425 29.961 30.300 0.144 0.000 0.851 189 R HN 0.269 nan 8.270 nan 0.000 0.434 190 L N 0.076 121.294 121.223 -0.007 0.000 1.989 190 L HA -0.197 4.148 4.340 0.010 0.000 0.211 190 L C 1.917 178.652 176.870 -0.225 0.000 1.071 190 L CA 1.712 56.431 54.840 -0.203 0.000 0.749 190 L CB -0.338 41.494 42.059 -0.378 0.000 0.890 190 L HN 0.184 nan 8.230 nan 0.000 0.431 191 F N 0.085 120.022 119.950 -0.021 0.000 2.259 191 F HA -0.086 4.442 4.527 0.003 0.000 0.298 191 F C 2.797 178.618 175.800 0.035 0.000 1.088 191 F CA 1.294 59.276 58.000 -0.029 0.000 1.358 191 F CB -0.464 38.471 39.000 -0.108 0.000 1.040 191 F HN 0.064 nan 8.300 nan 0.000 0.505 192 R N 0.435 121.039 120.500 0.173 0.000 2.081 192 R HA -0.147 4.199 4.340 0.010 0.000 0.235 192 R C 2.399 178.795 176.300 0.159 0.000 1.131 192 R CA 1.278 57.457 56.100 0.133 0.000 0.960 192 R CB -0.477 29.857 30.300 0.058 0.000 0.856 192 R HN 0.237 nan 8.270 nan 0.000 0.436 193 A N 1.366 124.231 122.820 0.076 0.000 1.873 193 A HA -0.199 4.127 4.320 0.010 0.000 0.218 193 A C 2.178 179.807 177.584 0.075 0.000 1.193 193 A CA 1.710 53.769 52.037 0.037 0.000 0.629 193 A CB -0.685 18.286 19.000 -0.050 0.000 0.826 193 A HN 0.373 nan 8.150 nan 0.000 0.447 194 I N -1.964 118.658 120.570 0.088 0.000 2.151 194 I HA -0.195 3.980 4.170 0.010 0.000 0.243 194 I C 1.656 177.904 176.117 0.219 0.000 1.080 194 I CA 0.811 62.192 61.300 0.135 0.000 1.339 194 I CB -0.356 37.758 38.000 0.190 0.000 1.039 194 I HN 0.450 nan 8.210 nan 0.000 0.409 198 D N -0.160 120.182 120.400 -0.096 0.000 2.697 198 D HA -0.050 4.596 4.640 0.010 0.000 0.238 198 D C 0.293 176.509 176.300 -0.140 0.000 1.152 198 D CA 1.179 55.084 54.000 -0.159 0.000 0.666 198 D CB -1.362 39.356 40.800 -0.136 0.000 1.037 198 D HN 1.402 nan 8.370 nan 0.000 0.423 199 A N 0.611 123.333 122.820 -0.164 0.000 2.346 199 A HA 0.487 4.813 4.320 0.010 0.000 0.252 199 A C 0.890 178.321 177.584 -0.256 0.000 1.089 199 A CA 0.357 52.167 52.037 -0.378 0.000 0.797 199 A CB 0.011 18.628 19.000 -0.639 0.000 1.047 199 A HN 0.822 nan 8.150 nan 0.000 0.494 200 F N -0.227 119.733 119.950 0.016 0.000 3.080 200 F HA -0.243 4.288 4.527 0.006 0.000 0.292 200 F C 1.548 177.327 175.800 -0.034 0.000 0.891 200 F CA 0.840 58.839 58.000 -0.003 0.000 1.086 200 F CB -2.539 36.451 39.000 -0.016 0.000 1.095 200 F HN 0.576 nan 8.300 nan 0.000 0.633 201 S N -2.484 113.235 115.700 0.031 0.000 2.650 201 S HA 0.156 4.632 4.470 0.010 0.000 0.219 201 S C 0.421 175.026 174.600 0.008 0.000 0.960 201 S CA -0.092 58.109 58.200 0.003 0.000 0.925 201 S CB -0.169 63.008 63.200 -0.038 0.000 0.775 201 S HN 0.476 nan 8.310 nan 0.000 0.525 202 E N 1.258 121.475 120.200 0.027 0.000 2.344 202 E HA 0.288 4.644 4.350 0.010 0.000 0.270 202 E C 0.728 177.335 176.600 0.011 0.000 1.021 202 E CA -0.094 56.315 56.400 0.016 0.000 0.887 202 E CB 0.604 30.320 29.700 0.027 0.000 0.997 202 E HN 0.251 nan 8.360 nan 0.000 0.429 203 L N 1.605 122.829 121.223 0.002 0.000 2.102 203 L HA -0.053 4.293 4.340 0.010 0.000 0.202 203 L C 1.213 178.080 176.870 -0.004 0.000 1.076 203 L CA 0.412 55.251 54.840 -0.002 0.000 0.761 203 L CB -0.166 41.891 42.059 -0.003 0.000 0.921 203 L HN 0.535 nan 8.230 nan 0.000 0.444 204 Q N 1.588 121.386 119.800 -0.003 0.000 2.337 204 Q HA 0.264 4.610 4.340 0.010 0.000 0.270 204 Q C -0.281 175.715 176.000 -0.006 0.000 1.002 204 Q CA 0.031 55.832 55.803 -0.004 0.000 0.888 204 Q CB 1.176 29.912 28.738 -0.002 0.000 1.222 204 Q HN 0.256 nan 8.270 nan 0.000 0.400 205 A N 7.011 129.824 122.820 -0.012 0.000 2.444 205 A HA 0.394 4.719 4.320 0.010 0.000 0.273 205 A C -2.047 175.530 177.584 -0.011 0.000 1.136 205 A CA -1.066 50.959 52.037 -0.019 0.000 0.799 205 A CB -0.518 18.467 19.000 -0.024 0.000 1.081 205 A HN 0.799 nan 8.150 nan 0.000 0.509 206 P HA 0.321 nan 4.420 nan 0.000 0.274 206 P C -2.634 174.666 177.300 -0.001 0.000 1.246 206 P CA -1.175 61.928 63.100 0.005 0.000 0.795 206 P CB -0.045 31.668 31.700 0.021 0.000 1.006 207 P HA 0.215 nan 4.420 nan 0.000 0.274 207 P C 0.349 177.650 177.300 0.001 0.000 1.246 207 P CA -0.304 62.798 63.100 0.002 0.000 0.795 207 P CB 0.644 32.347 31.700 0.006 0.000 1.006 211 T N 1.109 115.757 114.554 0.156 0.000 2.794 211 T HA 0.605 4.960 4.350 0.010 0.000 0.280 211 T C 0.060 174.880 174.700 0.199 0.000 0.987 211 T CA -0.431 61.804 62.100 0.225 0.000 0.993 211 T CB 1.726 70.802 68.868 0.346 0.000 0.939 211 T HN 0.526 nan 8.240 nan 0.000 0.449 212 V N 4.074 124.081 119.914 0.156 0.000 2.435 212 V HA 0.530 4.656 4.120 0.010 0.000 0.290 212 V C 0.268 176.449 176.094 0.145 0.000 1.030 212 V CA -0.688 61.682 62.300 0.116 0.000 0.881 212 V CB 1.564 33.416 31.823 0.048 0.000 0.983 212 V HN 0.686 nan 8.190 nan 0.000 0.445 216 Q N 0.241 119.965 119.800 -0.126 0.000 2.288 216 Q HA 0.556 4.902 4.340 0.010 0.000 0.254 216 Q C 0.419 176.529 176.000 0.183 0.000 0.932 216 Q CA 0.454 56.117 55.803 -0.233 0.000 0.902 216 Q CB 1.753 30.061 28.738 -0.717 0.000 1.203 216 Q HN 1.133 nan 8.270 nan 0.000 0.415 217 G N 0.467 109.501 108.800 0.389 0.000 2.682 217 G HA2 0.134 4.099 3.960 0.010 0.000 0.290 217 G HA3 0.134 4.099 3.960 0.010 0.000 0.290 217 G C -1.686 173.216 174.900 0.002 0.000 1.425 217 G CA -0.593 44.636 45.100 0.214 0.000 0.807 217 G HN 0.590 nan 8.290 nan 0.000 0.482 218 H N 0.442 119.190 119.070 -0.537 0.000 2.886 218 H HA 0.150 4.711 4.556 0.009 0.000 0.329 218 H C 1.845 177.056 175.328 -0.196 0.000 1.044 218 H CA 0.356 55.943 56.048 -0.768 0.000 1.456 218 H CB 1.036 30.389 29.762 -0.682 0.000 1.464 218 H HN 0.589 nan 8.280 nan 0.000 0.573 219 R N 2.576 122.982 120.500 -0.157 0.000 2.159 219 R HA -0.202 4.144 4.340 0.010 0.000 0.252 219 R C 0.953 177.381 176.300 0.214 0.000 1.144 219 R CA 2.172 58.315 56.100 0.071 0.000 0.961 219 R CB 0.079 30.358 30.300 -0.036 0.000 0.877 219 R HN 0.628 nan 8.270 nan 0.000 0.444 220 N N -0.067 118.829 118.700 0.326 0.000 2.276 220 N HA -0.001 4.744 4.740 0.010 0.000 0.212 220 N C 1.259 176.788 175.510 0.031 0.000 1.127 220 N CA 0.517 53.650 53.050 0.137 0.000 0.834 220 N CB 0.180 38.703 38.487 0.059 0.000 1.014 220 N HN 0.445 nan 8.380 nan 0.000 0.491 221 C N -1.040 118.279 119.300 0.032 0.000 2.437 221 C HA 0.247 4.713 4.460 0.010 0.000 0.283 221 C C 1.722 176.689 174.990 -0.039 0.000 1.424 221 C CA 0.361 59.330 59.018 -0.081 0.000 1.782 221 C CB -1.180 26.432 27.740 -0.213 0.000 1.833 221 C HN 0.480 nan 8.230 nan 0.000 0.532 222 G N 0.506 109.335 108.800 0.049 0.000 2.143 222 G HA2 -0.252 3.714 3.960 0.010 0.000 0.249 222 G HA3 -0.252 3.714 3.960 0.010 0.000 0.249 222 G C -0.190 174.779 174.900 0.114 0.000 0.981 222 G CA 0.547 45.694 45.100 0.079 0.000 0.665 222 G HN 0.891 nan 8.290 nan 0.000 0.528 223 E N 1.356 121.624 120.200 0.112 0.000 2.417 223 E HA 0.360 4.716 4.350 0.010 0.000 0.261 223 E C 0.988 177.764 176.600 0.294 0.000 1.000 223 E CA 0.433 56.941 56.400 0.180 0.000 0.919 223 E CB 0.483 30.188 29.700 0.009 0.000 0.955 223 E HN 0.407 nan 8.360 nan 0.000 0.455 224 D N 3.181 123.754 120.400 0.288 0.000 2.540 224 D HA 0.003 4.649 4.640 0.010 0.000 0.229 224 D C 0.689 177.148 176.300 0.265 0.000 1.250 224 D CA -0.334 53.821 54.000 0.259 0.000 0.817 224 D CB -0.839 40.072 40.800 0.186 0.000 1.060 224 D HN 0.542 nan 8.370 nan 0.000 0.508 225 W N 0.760 122.125 121.300 0.109 0.000 2.726 225 W HA 0.380 5.046 4.660 0.009 0.000 0.285 225 W C -0.032 176.429 176.519 -0.096 0.000 1.110 225 W CA 0.057 57.343 57.345 -0.098 0.000 1.579 225 W CB -0.029 29.185 29.460 -0.410 0.000 1.118 225 W HN -0.280 nan 8.180 nan 0.000 0.556 226 F N 2.537 122.546 119.950 0.099 0.000 2.506 226 F HA 0.199 4.731 4.527 0.009 0.000 0.351 226 F C 0.891 176.780 175.800 0.149 0.000 1.136 226 F CA 0.437 58.420 58.000 -0.028 0.000 1.298 226 F CB 0.387 39.379 39.000 -0.013 0.000 1.145 226 F HN -0.358 nan 8.300 nan 0.000 0.593 227 R N 3.414 124.035 120.500 0.203 0.000 2.346 227 R HA 0.367 4.713 4.340 0.010 0.000 0.311 227 R C -2.588 173.720 176.300 0.014 0.000 0.983 227 R CA -1.914 54.249 56.100 0.106 0.000 0.880 227 R CB 0.922 31.192 30.300 -0.049 0.000 1.100 227 R HN 0.251 nan 8.270 nan 0.000 0.453 228 P HA 0.046 nan 4.420 nan 0.000 0.271 228 P C -0.913 176.243 177.300 -0.240 0.000 1.218 228 P CA -0.085 62.696 63.100 -0.531 0.000 0.780 228 P CB 0.672 32.114 31.700 -0.430 0.000 0.901 229 K N 3.028 123.309 120.400 -0.197 0.000 2.646 229 K HA 0.247 4.572 4.320 0.010 0.000 0.210 229 K C 0.680 177.319 176.600 0.065 0.000 1.020 229 K CA -0.314 55.958 56.287 -0.024 0.000 1.040 229 K CB 0.654 33.153 32.500 -0.002 0.000 1.253 229 K HN 0.342 nan 8.250 nan 0.000 0.532 230 L N 0.427 121.664 121.223 0.023 0.000 2.056 230 L HA -0.088 4.258 4.340 0.010 0.000 0.207 230 L C 1.153 178.076 176.870 0.088 0.000 1.078 230 L CA 1.220 56.081 54.840 0.035 0.000 0.749 230 L CB 0.029 42.089 42.059 0.001 0.000 0.901 230 L HN 0.412 nan 8.230 nan 0.000 0.433 231 N N -1.479 117.270 118.700 0.083 0.000 2.273 231 N HA 0.021 4.767 4.740 0.010 0.000 0.231 231 N C -0.287 175.263 175.510 0.067 0.000 1.134 231 N CA -0.185 52.907 53.050 0.069 0.000 0.856 231 N CB 0.499 39.001 38.487 0.025 0.000 1.068 231 N HN 0.153 nan 8.380 nan 0.000 0.510 232 Y N 2.667 122.974 120.300 0.012 0.000 2.712 232 Y HA -0.057 4.498 4.550 0.009 0.000 0.333 232 Y C 0.242 176.121 175.900 -0.033 0.000 1.225 232 Y CA 0.458 58.524 58.100 -0.056 0.000 1.499 232 Y CB 0.400 38.790 38.460 -0.117 0.000 1.288 232 Y HN -0.068 nan 8.280 nan 0.000 0.575 233 R N 4.261 124.319 120.500 -0.735 0.000 2.725 233 R HA 0.423 4.769 4.340 0.010 0.000 0.277 233 R C -1.414 174.378 176.300 -0.846 0.000 0.987 233 R CA -1.293 54.531 56.100 -0.461 0.000 0.901 233 R CB 1.430 31.592 30.300 -0.230 0.000 1.207 233 R HN 0.466 nan 8.270 nan 0.000 0.463 234 V N 3.435 123.114 119.914 -0.392 0.000 2.584 234 V HA 0.001 4.127 4.120 0.010 0.000 0.303 234 V C -1.740 174.114 176.094 -0.399 0.000 1.035 234 V CA -0.654 61.437 62.300 -0.348 0.000 1.172 234 V CB -0.393 31.377 31.823 -0.088 0.000 0.896 234 V HN 0.586 nan 8.190 nan 0.000 0.486 235 P HA 0.046 nan 4.420 nan 0.000 0.266 235 P C 0.572 177.768 177.300 -0.173 0.000 1.193 235 P CA 0.262 63.120 63.100 -0.403 0.000 0.770 235 P CB 0.405 31.768 31.700 -0.563 0.000 0.836 236 S N 1.197 116.863 115.700 -0.056 0.000 2.523 236 S HA 0.190 4.666 4.470 0.010 0.000 0.217 236 S C 0.443 175.101 174.600 0.096 0.000 0.996 236 S CA -0.272 57.944 58.200 0.027 0.000 0.921 236 S CB 0.180 63.367 63.200 -0.021 0.000 0.829 236 S HN 0.350 nan 8.310 nan 0.000 0.495 237 R N 0.464 121.042 120.500 0.130 0.000 2.561 237 R HA 0.590 4.935 4.340 0.010 0.000 0.297 237 R C 0.278 176.717 176.300 0.232 0.000 0.969 237 R CA -0.241 55.937 56.100 0.130 0.000 0.879 237 R CB 1.506 31.840 30.300 0.056 0.000 1.178 237 R HN 0.277 nan 8.270 nan 0.000 0.445 238 G N 1.255 110.145 108.800 0.150 0.000 2.131 238 G HA2 -0.269 3.697 3.960 0.010 0.000 0.223 238 G HA3 -0.269 3.697 3.960 0.010 0.000 0.223 238 G C -0.045 174.764 174.900 -0.152 0.000 0.990 238 G CA -0.135 45.004 45.100 0.065 0.000 0.671 238 G HN 0.808 nan 8.290 nan 0.000 0.521 239 H N 1.119 119.976 119.070 -0.356 0.000 3.138 239 H HA 0.185 4.747 4.556 0.009 0.000 0.275 239 H C 1.156 176.101 175.328 -0.637 0.000 0.997 239 H CA 0.677 56.159 56.048 -0.944 0.000 1.460 239 H CB 0.577 30.018 29.762 -0.535 0.000 1.524 239 H HN 0.170 nan 8.280 nan 0.000 0.532 240 K N 4.292 123.969 120.400 -1.205 0.000 2.202 240 K HA 0.039 4.364 4.320 0.010 0.000 0.201 240 K C 0.003 176.086 176.600 -0.862 0.000 1.051 240 K CA 0.119 55.879 56.287 -0.877 0.000 0.977 240 K CB 0.421 32.356 32.500 -0.942 0.000 0.792 240 K HN 0.486 nan 8.250 nan 0.000 0.469 241 L N 0.012 120.519 121.223 -1.193 0.000 2.666 241 L HA 0.227 4.573 4.340 0.010 0.000 0.259 241 L C -1.801 174.903 176.870 -0.277 0.000 0.919 241 L CA 0.009 54.518 54.840 -0.552 0.000 0.927 241 L CB 2.131 44.099 42.059 -0.152 0.000 1.423 241 L HN -0.143 nan 8.230 nan 0.000 0.426 242 T N 4.012 118.606 114.554 0.068 0.000 2.792 242 T HA 0.701 5.057 4.350 0.010 0.000 0.280 242 T C -0.871 173.885 174.700 0.093 0.000 0.990 242 T CA -0.409 61.809 62.100 0.198 0.000 0.960 242 T CB 1.602 70.638 68.868 0.280 0.000 0.939 242 T HN 0.367 nan 8.240 nan 0.000 0.439 243 V N 3.976 123.940 119.914 0.084 0.000 2.370 243 V HA 0.458 4.584 4.120 0.010 0.000 0.283 243 V C 0.296 176.402 176.094 0.020 0.000 1.023 243 V CA -0.646 61.667 62.300 0.022 0.000 0.857 243 V CB 1.515 33.337 31.823 -0.001 0.000 0.985 243 V HN 0.938 nan 8.190 nan 0.000 0.443 244 T N 6.905 121.447 114.554 -0.020 0.000 2.770 244 T HA 0.632 4.988 4.350 0.010 0.000 0.283 244 T C -0.323 174.325 174.700 -0.086 0.000 0.988 244 T CA -0.282 61.804 62.100 -0.022 0.000 0.957 244 T CB 0.746 69.606 68.868 -0.014 0.000 0.930 244 T HN 0.356 nan 8.240 nan 0.000 0.443 245 L N 3.338 124.525 121.223 -0.061 0.000 2.317 245 L HA 0.764 5.110 4.340 0.010 0.000 0.281 245 L C 0.389 177.228 176.870 -0.052 0.000 1.024 245 L CA -0.679 54.088 54.840 -0.123 0.000 0.810 245 L CB 1.550 43.640 42.059 0.052 0.000 1.240 245 L HN 0.733 nan 8.230 nan 0.000 0.427 246 S N -0.079 115.549 115.700 -0.120 0.000 2.607 246 S HA 0.391 4.866 4.470 0.010 0.000 0.273 246 S C -0.542 174.079 174.600 0.036 0.000 1.148 246 S CA -0.749 57.448 58.200 -0.005 0.000 0.833 246 S CB 1.711 64.900 63.200 -0.020 0.000 1.130 246 S HN 0.578 nan 8.310 nan 0.000 0.470 247 C N 1.291 120.652 119.300 0.102 0.000 2.647 247 C HA 0.687 5.153 4.460 0.010 0.000 0.296 247 C C 1.522 176.559 174.990 0.078 0.000 1.403 247 C CA -0.033 59.065 59.018 0.134 0.000 1.781 247 C CB -1.249 26.580 27.740 0.149 0.000 2.464 247 C HN 1.493 nan 8.230 nan 0.000 0.559 248 G N 2.431 111.255 108.800 0.040 0.000 2.372 248 G HA2 -0.253 3.713 3.960 0.010 0.000 0.297 248 G HA3 -0.253 3.713 3.960 0.010 0.000 0.297 248 G C -0.293 174.628 174.900 0.035 0.000 1.005 248 G CA 0.178 45.294 45.100 0.027 0.000 1.173 248 G HN 0.700 nan 8.290 nan 0.000 0.511 249 R N 0.310 120.833 120.500 0.038 0.000 2.510 249 R HA 0.449 4.795 4.340 0.010 0.000 0.287 249 R C -2.695 173.626 176.300 0.035 0.000 1.084 249 R CA -1.515 54.608 56.100 0.037 0.000 0.934 249 R CB 2.416 32.744 30.300 0.047 0.000 1.201 249 R HN 0.150 nan 8.270 nan 0.000 0.431 250 P HA 0.312 nan 4.420 nan 0.000 0.274 250 P C -0.595 176.719 177.300 0.022 0.000 1.504 250 P CA -0.272 62.843 63.100 0.026 0.000 1.011 250 P CB 1.527 33.238 31.700 0.019 0.000 1.366 251 S N 1.269 116.984 115.700 0.026 0.000 2.918 251 S HA 0.199 4.675 4.470 0.010 0.000 0.264 251 S C 0.889 175.490 174.600 0.001 0.000 1.078 251 S CA -0.168 58.041 58.200 0.015 0.000 0.918 251 S CB 0.138 63.351 63.200 0.021 0.000 0.882 251 S HN 0.270 nan 8.310 nan 0.000 0.466 252 I N 2.982 123.557 120.570 0.007 0.000 2.836 252 I HA 0.113 4.289 4.170 0.010 0.000 0.285 252 I C 0.867 176.947 176.117 -0.061 0.000 1.174 252 I CA -0.181 61.098 61.300 -0.035 0.000 1.405 252 I CB 0.441 38.432 38.000 -0.014 0.000 1.385 252 I HN 0.161 nan 8.210 nan 0.000 0.594 253 R N 3.134 123.564 120.500 -0.116 0.000 2.590 253 R HA 0.014 4.359 4.340 0.010 0.000 0.274 253 R C 1.262 177.498 176.300 -0.107 0.000 1.061 253 R CA 0.330 56.366 56.100 -0.107 0.000 1.081 253 R CB 0.867 31.090 30.300 -0.128 0.000 0.984 253 R HN 0.880 nan 8.270 nan 0.000 0.448 254 T N -0.052 114.466 114.554 -0.060 0.000 2.624 254 T HA -0.251 4.105 4.350 0.010 0.000 0.268 254 T C 1.503 176.180 174.700 -0.039 0.000 1.041 254 T CA 2.145 64.225 62.100 -0.034 0.000 1.159 254 T CB -0.676 68.183 68.868 -0.016 0.000 0.863 254 T HN 0.788 nan 8.240 nan 0.000 0.434 255 T N -0.941 113.579 114.554 -0.057 0.000 3.206 255 T HA 0.708 5.064 4.350 0.010 0.000 0.253 255 T C 1.958 176.598 174.700 -0.099 0.000 1.042 255 T CA 0.351 62.426 62.100 -0.042 0.000 0.931 255 T CB -0.225 68.631 68.868 -0.021 0.000 1.029 255 T HN 0.505 nan 8.240 nan 0.000 0.564 256 A N 1.624 124.299 122.820 -0.242 0.000 1.915 256 A HA -0.132 4.194 4.320 0.010 0.000 0.220 256 A C 1.577 178.843 177.584 -0.531 0.000 1.198 256 A CA 1.390 53.113 52.037 -0.524 0.000 0.647 256 A CB -1.168 17.282 19.000 -0.917 0.000 0.825 256 A HN 0.853 nan 8.150 nan 0.000 0.456 257 W N -0.601 120.664 121.300 -0.058 0.000 3.223 257 W HA 0.366 5.031 4.660 0.009 0.000 0.389 257 W C 1.567 178.133 176.519 0.078 0.000 1.118 257 W CA -0.129 57.160 57.345 -0.093 0.000 1.902 257 W CB 0.151 29.479 29.460 -0.219 0.000 1.094 257 W HN 0.457 nan 8.180 nan 0.000 0.666 258 E N 1.013 121.325 120.200 0.187 0.000 2.097 258 E HA -0.251 4.105 4.350 0.010 0.000 0.196 258 E C 0.465 177.115 176.600 0.083 0.000 1.000 258 E CA 1.589 58.057 56.400 0.113 0.000 0.804 258 E CB 0.074 29.805 29.700 0.051 0.000 0.740 258 E HN 0.250 nan 8.360 nan 0.000 0.454 259 D N -1.619 118.812 120.400 0.051 0.000 2.368 259 D HA 0.067 4.712 4.640 0.010 0.000 0.218 259 D C -0.917 175.135 176.300 -0.413 0.000 1.112 259 D CA -0.021 53.837 54.000 -0.236 0.000 0.834 259 D CB 0.270 40.785 40.800 -0.475 0.000 0.953 259 D HN 0.139 nan 8.370 nan 0.000 0.505 260 Y N 0.850 121.059 120.300 -0.151 0.000 2.304 260 Y HA 0.367 4.923 4.550 0.010 0.000 0.328 260 Y C 0.662 176.489 175.900 -0.121 0.000 1.123 260 Y CA -0.872 57.174 58.100 -0.091 0.000 1.218 260 Y CB 0.732 39.201 38.460 0.015 0.000 1.207 260 Y HN -0.107 nan 8.280 nan 0.000 0.495 261 I N -1.906 118.656 120.570 -0.013 0.000 3.002 261 I HA 0.565 4.741 4.170 0.010 0.000 0.310 261 I C -1.353 174.683 176.117 -0.136 0.000 1.087 261 I CA -1.517 59.726 61.300 -0.095 0.000 1.017 261 I CB 1.750 39.684 38.000 -0.111 0.000 1.226 261 I HN 0.464 nan 8.210 nan 0.000 0.443 262 W N 2.042 123.337 121.300 -0.009 0.000 2.216 262 W HA 0.459 5.124 4.660 0.008 0.000 0.326 262 W C -0.829 175.552 176.519 -0.231 0.000 1.319 262 W CA 0.217 57.538 57.345 -0.040 0.000 1.213 262 W CB 0.490 29.892 29.460 -0.098 0.000 1.171 262 W HN 0.192 nan 8.180 nan 0.000 0.557 263 F N 1.610 121.675 119.950 0.192 0.000 2.522 263 F HA 0.327 4.860 4.527 0.009 0.000 0.324 263 F C 0.150 175.990 175.800 0.067 0.000 1.077 263 F CA -1.150 56.892 58.000 0.070 0.000 0.944 263 F CB 1.818 40.750 39.000 -0.114 0.000 1.175 263 F HN 0.194 nan 8.300 nan 0.000 0.468 264 Q N 2.191 122.130 119.800 0.231 0.000 2.337 264 Q HA 0.733 5.078 4.340 0.010 0.000 0.270 264 Q C -1.035 175.022 176.000 0.095 0.000 1.043 264 Q CA -1.041 54.834 55.803 0.121 0.000 0.794 264 Q CB 1.984 30.675 28.738 -0.078 0.000 1.281 264 Q HN 0.864 nan 8.270 nan 0.000 0.446 265 A N 4.992 127.827 122.820 0.024 0.000 2.531 265 A HA 0.197 4.523 4.320 0.010 0.000 0.236 265 A C -1.737 175.481 177.584 -0.609 0.000 1.062 265 A CA -0.791 50.877 52.037 -0.615 0.000 0.760 265 A CB -0.040 18.732 19.000 -0.381 0.000 0.995 265 A HN 0.788 nan 8.150 nan 0.000 0.501 266 P HA 0.018 nan 4.420 nan 0.000 0.231 266 P C 0.373 177.432 177.300 -0.403 0.000 1.168 266 P CA 1.197 63.889 63.100 -0.680 0.000 0.779 266 P CB -0.405 30.736 31.700 -0.930 0.000 0.844 267 V N -3.864 115.839 119.914 -0.351 0.000 2.919 267 V HA 0.712 4.838 4.120 0.010 0.000 0.316 267 V C -0.500 175.597 176.094 0.006 0.000 1.077 267 V CA -0.616 61.641 62.300 -0.071 0.000 0.977 267 V CB 1.564 33.445 31.823 0.097 0.000 1.039 267 V HN -0.262 nan 8.190 nan 0.000 0.441 268 T N 3.722 118.312 114.554 0.060 0.000 2.797 268 T HA 0.499 4.855 4.350 0.010 0.000 0.279 268 T C -0.829 173.978 174.700 0.179 0.000 0.991 268 T CA -0.004 62.157 62.100 0.101 0.000 0.979 268 T CB 0.873 69.770 68.868 0.049 0.000 0.943 268 T HN 0.720 nan 8.240 nan 0.000 0.444 269 F N 4.216 124.227 119.950 0.102 0.000 2.424 269 F HA 0.467 5.000 4.527 0.010 0.000 0.356 269 F C 0.393 176.270 175.800 0.128 0.000 1.110 269 F CA -0.649 57.429 58.000 0.130 0.000 1.161 269 F CB 0.447 39.538 39.000 0.150 0.000 1.115 269 F HN 0.295 nan 8.300 nan 0.000 0.507 270 K N 5.556 125.564 120.400 -0.653 0.000 2.234 270 K HA 0.449 4.774 4.320 0.010 0.000 0.277 270 K C 0.251 176.362 176.600 -0.814 0.000 1.038 270 K CA -0.653 55.309 56.287 -0.542 0.000 0.888 270 K CB 0.967 33.336 32.500 -0.218 0.000 1.091 270 K HN 0.901 nan 8.250 nan 0.000 0.467 271 G N 3.711 112.199 108.800 -0.521 0.000 2.491 271 G HA2 0.262 4.227 3.960 0.010 0.000 0.238 271 G HA3 0.262 4.227 3.960 0.010 0.000 0.238 271 G C -0.537 174.371 174.900 0.014 0.000 1.277 271 G CA -0.314 44.627 45.100 -0.265 0.000 0.851 271 G HN 0.612 nan 8.290 nan 0.000 0.573 272 F N -0.499 119.419 119.950 -0.054 0.000 2.629 272 F HA 0.888 5.422 4.527 0.011 0.000 0.316 272 F C -0.211 175.606 175.800 0.029 0.000 1.081 272 F CA -1.644 56.350 58.000 -0.010 0.000 0.954 272 F CB 1.675 40.679 39.000 0.005 0.000 1.337 272 F HN 0.481 nan 8.300 nan 0.000 0.474 273 R N 0.000 120.595 120.500 0.159 0.000 2.786 273 R HA 0.000 4.346 4.340 0.010 0.000 0.208 273 R CA 0.000 56.135 56.100 0.058 0.000 0.921 273 R CB 0.000 30.307 30.300 0.012 0.000 0.687 273 R HN 0.000 nan 8.270 nan 0.000 0.535