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 1qm8_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQITGRPEWI WLALGTALMG LGTLYFLVKG MGVSDPDAKK FYAITTLVPA DATA SEQUENCE IAFTMYLSML LGYGLTMVPF GGEQNPIYWA RYADWLFTTP LLLLDLALLV DATA SEQUENCE DADQGTILAL VGADGIMIGT GLVGALTKVY SYRFVWWAIS TAAMLYILYV DATA SEQUENCE LFFGFTSKAE SMRPEVASTF KVLRNVTVVL WSAYPVVWLI GSEGAGIVPL DATA SEQUENCE NIETLLFMVL DVSAKVGFGL ILLRSRAIF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.016 0.000 1.274 2 A CA 0.000 52.041 52.037 0.007 0.000 0.836 2 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 3 Q N -0.786 119.015 119.800 0.002 0.000 2.932 3 Q HA 0.739 5.080 4.340 0.002 0.000 0.248 3 Q C 0.143 176.147 176.000 0.006 0.000 0.982 3 Q CA -0.007 55.801 55.803 0.008 0.000 0.730 3 Q CB -0.253 28.505 28.738 0.033 0.000 1.249 3 Q HN 2.560 nan 8.270 nan 0.000 0.476 4 I N 0.753 121.310 120.570 -0.022 0.000 3.252 4 I HA 0.500 4.671 4.170 0.002 0.000 0.331 4 I C 0.786 176.909 176.117 0.010 0.000 1.237 4 I CA 1.437 62.723 61.300 -0.023 0.000 1.436 4 I CB -0.852 37.127 38.000 -0.035 0.000 1.338 4 I HN 1.543 nan 8.210 nan 0.000 0.512 5 T N 3.604 118.166 114.554 0.013 0.000 4.054 5 T HA 0.723 5.074 4.350 0.002 0.000 0.353 5 T C 0.410 175.141 174.700 0.052 0.000 0.979 5 T CA 0.197 62.333 62.100 0.060 0.000 1.047 5 T CB 0.453 69.389 68.868 0.113 0.000 1.121 5 T HN 2.053 nan 8.240 nan 0.000 0.469 6 G N 1.032 109.867 108.800 0.059 0.000 3.979 6 G HA2 0.423 4.384 3.960 0.002 0.000 0.287 6 G HA3 0.423 4.384 3.960 0.002 0.000 0.287 6 G C 0.825 175.797 174.900 0.120 0.000 1.011 6 G CA 0.178 45.321 45.100 0.071 0.000 0.818 6 G HN 0.769 nan 8.290 nan 0.000 0.470 7 R N 0.089 120.672 120.500 0.139 0.000 2.725 7 R HA 0.202 4.543 4.340 0.002 0.000 0.207 7 R C -0.806 175.666 176.300 0.287 0.000 0.924 7 R CA 0.584 56.785 56.100 0.167 0.000 1.098 7 R CB 0.031 30.373 30.300 0.070 0.000 1.602 7 R HN 0.120 nan 8.270 nan 0.000 0.615 8 P HA -0.150 nan 4.420 nan 0.000 0.221 8 P C 0.320 177.712 177.300 0.153 0.000 1.150 8 P CA 1.229 64.462 63.100 0.220 0.000 0.800 8 P CB 0.081 31.866 31.700 0.141 0.000 0.787 9 E N 0.387 120.703 120.200 0.193 0.000 2.347 9 E HA -0.148 4.203 4.350 0.002 0.000 0.196 9 E C 2.051 178.671 176.600 0.032 0.000 1.008 9 E CA 0.422 56.926 56.400 0.174 0.000 0.852 9 E CB -1.317 28.553 29.700 0.283 0.000 0.783 9 E HN 0.462 nan 8.360 nan 0.000 0.505 10 W N 2.384 123.689 121.300 0.009 0.000 2.290 10 W HA -0.294 4.367 4.660 0.001 0.000 0.311 10 W C 1.760 178.225 176.519 -0.090 0.000 1.238 10 W CA 1.157 58.490 57.345 -0.020 0.000 1.255 10 W CB -1.108 28.337 29.460 -0.025 0.000 1.145 10 W HN 0.110 nan 8.180 nan 0.000 0.506 11 I N 0.158 119.659 120.570 -1.783 0.000 2.286 11 I HA -0.258 3.913 4.170 0.002 0.000 0.248 11 I C 2.311 177.876 176.117 -0.920 0.000 1.115 11 I CA 2.206 62.386 61.300 -1.866 0.000 1.392 11 I CB -0.542 36.388 38.000 -1.783 0.000 1.065 11 I HN 0.021 nan 8.210 nan 0.000 0.418 12 W N 0.504 121.581 121.300 -0.372 0.000 2.453 12 W HA -0.046 4.614 4.660 0.000 0.000 0.289 12 W C 2.393 178.833 176.519 -0.133 0.000 1.215 12 W CA 0.007 57.234 57.345 -0.196 0.000 1.297 12 W CB -0.240 29.161 29.460 -0.099 0.000 1.113 12 W HN 0.051 nan 8.180 nan 0.000 0.551 13 L N 0.175 121.457 121.223 0.099 0.000 2.056 13 L HA -0.153 4.188 4.340 0.002 0.000 0.207 13 L C 2.676 179.577 176.870 0.051 0.000 1.078 13 L CA 1.273 56.191 54.840 0.130 0.000 0.749 13 L CB -1.221 40.876 42.059 0.064 0.000 0.901 13 L HN -0.001 nan 8.230 nan 0.000 0.433 14 A N -0.155 122.642 122.820 -0.039 0.000 1.969 14 A HA -0.182 4.139 4.320 0.002 0.000 0.218 14 A C 2.177 179.721 177.584 -0.067 0.000 1.169 14 A CA 1.342 53.360 52.037 -0.032 0.000 0.635 14 A CB -0.471 18.502 19.000 -0.046 0.000 0.810 14 A HN 0.323 nan 8.150 nan 0.000 0.445 15 L N -0.175 120.985 121.223 -0.104 0.000 2.131 15 L HA 0.125 4.466 4.340 0.002 0.000 0.206 15 L C 2.317 179.127 176.870 -0.100 0.000 1.087 15 L CA 2.072 56.876 54.840 -0.059 0.000 0.767 15 L CB -0.973 41.104 42.059 0.030 0.000 0.917 15 L HN 0.265 nan 8.230 nan 0.000 0.441 16 G N -1.839 106.830 108.800 -0.218 0.000 2.422 16 G HA2 -0.208 3.752 3.960 0.002 0.000 0.218 16 G HA3 -0.208 3.752 3.960 0.002 0.000 0.218 16 G C 1.411 176.005 174.900 -0.511 0.000 1.140 16 G CA 1.114 45.863 45.100 -0.585 0.000 0.775 16 G HN 0.413 nan 8.290 nan 0.000 0.545 17 T N 1.472 115.885 114.554 -0.236 0.000 2.737 17 T HA 0.051 4.402 4.350 0.002 0.000 0.265 17 T C 2.860 177.670 174.700 0.182 0.000 1.038 17 T CA 1.476 63.578 62.100 0.002 0.000 1.144 17 T CB -0.356 68.514 68.868 0.005 0.000 0.866 17 T HN 0.350 nan 8.240 nan 0.000 0.434 18 A N 1.331 124.203 122.820 0.088 0.000 1.858 18 A HA 0.000 4.321 4.320 0.002 0.000 0.216 18 A C 2.339 179.947 177.584 0.040 0.000 1.190 18 A CA 1.229 53.317 52.037 0.086 0.000 0.617 18 A CB -0.944 18.078 19.000 0.037 0.000 0.827 18 A HN 0.449 nan 8.150 nan 0.000 0.443 19 L N -1.099 120.119 121.223 -0.009 0.000 2.012 19 L HA -0.235 4.106 4.340 0.002 0.000 0.210 19 L C 2.884 179.753 176.870 -0.002 0.000 1.073 19 L CA 1.423 56.248 54.840 -0.025 0.000 0.748 19 L CB -0.572 41.458 42.059 -0.048 0.000 0.891 19 L HN 0.372 nan 8.230 nan 0.000 0.431 20 M N -0.476 119.141 119.600 0.027 0.000 2.159 20 M HA -0.100 4.381 4.480 0.002 0.000 0.263 20 M C 2.365 178.725 176.300 0.101 0.000 1.063 20 M CA 1.773 57.139 55.300 0.109 0.000 1.110 20 M CB -1.742 30.973 32.600 0.191 0.000 1.374 20 M HN 0.296 nan 8.290 nan 0.000 0.411 21 G N 0.180 109.049 108.800 0.115 0.000 2.421 21 G HA2 -0.149 3.812 3.960 0.002 0.000 0.216 21 G HA3 -0.149 3.812 3.960 0.002 0.000 0.216 21 G C 1.647 176.448 174.900 -0.165 0.000 1.171 21 G CA 0.438 45.425 45.100 -0.189 0.000 0.775 21 G HN 0.418 nan 8.290 nan 0.000 0.543 22 L N 0.787 121.960 121.223 -0.082 0.000 2.313 22 L HA 0.128 4.469 4.340 0.002 0.000 0.214 22 L C 3.060 179.866 176.870 -0.106 0.000 1.119 22 L CA 0.569 55.359 54.840 -0.083 0.000 0.809 22 L CB -0.348 41.674 42.059 -0.062 0.000 0.933 22 L HN 0.314 nan 8.230 nan 0.000 0.449 23 G N -0.567 108.163 108.800 -0.117 0.000 2.408 23 G HA2 -0.201 3.760 3.960 0.002 0.000 0.217 23 G HA3 -0.201 3.760 3.960 0.002 0.000 0.217 23 G C 1.592 176.298 174.900 -0.323 0.000 1.150 23 G CA 1.151 46.107 45.100 -0.239 0.000 0.776 23 G HN 0.230 nan 8.290 nan 0.000 0.542 24 T N 1.473 115.976 114.554 -0.086 0.000 2.737 24 T HA -0.010 4.341 4.350 0.002 0.000 0.265 24 T C 2.305 176.993 174.700 -0.020 0.000 1.038 24 T CA 0.491 62.604 62.100 0.022 0.000 1.144 24 T CB -0.192 68.675 68.868 -0.002 0.000 0.866 24 T HN -0.014 nan 8.240 nan 0.000 0.434 25 L N 0.368 121.548 121.223 -0.072 0.000 2.013 25 L HA -0.140 4.201 4.340 0.002 0.000 0.212 25 L C 2.328 179.190 176.870 -0.014 0.000 1.073 25 L CA 2.055 56.867 54.840 -0.047 0.000 0.753 25 L CB -1.028 40.995 42.059 -0.060 0.000 0.890 25 L HN 0.365 nan 8.230 nan 0.000 0.432 26 Y N 0.149 120.342 120.300 -0.179 0.000 2.128 26 Y HA -0.285 4.266 4.550 0.002 0.000 0.284 26 Y C 2.398 178.288 175.900 -0.017 0.000 1.154 26 Y CA 1.549 59.549 58.100 -0.167 0.000 1.149 26 Y CB -0.621 37.648 38.460 -0.318 0.000 0.976 26 Y HN 0.069 nan 8.280 nan 0.000 0.505 27 F N -0.452 119.396 119.950 -0.171 0.000 2.293 27 F HA -0.122 4.406 4.527 0.001 0.000 0.300 27 F C 2.345 178.099 175.800 -0.077 0.000 1.086 27 F CA 0.649 58.560 58.000 -0.148 0.000 1.375 27 F CB -1.192 37.844 39.000 0.060 0.000 1.045 27 F HN 0.135 nan 8.300 nan 0.000 0.516 28 L N -0.530 120.751 121.223 0.097 0.000 1.973 28 L HA -0.122 4.219 4.340 0.002 0.000 0.208 28 L C 1.212 178.059 176.870 -0.038 0.000 1.073 28 L CA 0.870 55.730 54.840 0.033 0.000 0.746 28 L CB -0.327 41.742 42.059 0.017 0.000 0.891 28 L HN -0.234 nan 8.230 nan 0.000 0.433 29 V N 0.784 120.670 119.914 -0.047 0.000 2.670 29 V HA -0.072 4.049 4.120 0.002 0.000 0.344 29 V C 0.911 176.951 176.094 -0.089 0.000 1.648 29 V CA 0.872 63.142 62.300 -0.050 0.000 1.673 29 V CB -0.723 31.094 31.823 -0.011 0.000 1.382 29 V HN 0.444 nan 8.190 nan 0.000 0.503 30 K N 0.096 120.412 120.400 -0.140 0.000 2.824 30 K HA 0.112 4.432 4.320 0.002 0.000 0.178 30 K C 1.727 178.125 176.600 -0.337 0.000 1.749 30 K CA 0.702 56.887 56.287 -0.171 0.000 1.342 30 K CB 0.028 32.389 32.500 -0.230 0.000 1.902 30 K HN 0.385 nan 8.250 nan 0.000 0.618 31 G N 1.475 109.921 108.800 -0.590 0.000 2.920 31 G HA2 -0.003 3.958 3.960 0.002 0.000 0.208 31 G HA3 -0.003 3.958 3.960 0.002 0.000 0.208 31 G C 1.182 175.766 174.900 -0.527 0.000 1.159 31 G CA -0.040 44.308 45.100 -1.253 0.000 0.784 31 G HN 0.113 nan 8.290 nan 0.000 0.535 32 M N 0.854 120.280 119.600 -0.290 0.000 2.106 32 M HA -0.095 4.386 4.480 0.002 0.000 0.259 32 M C 2.707 178.937 176.300 -0.118 0.000 1.068 32 M CA 1.781 56.989 55.300 -0.154 0.000 1.100 32 M CB -0.352 32.189 32.600 -0.098 0.000 1.351 32 M HN 0.334 nan 8.290 nan 0.000 0.404 33 G N -0.313 108.418 108.800 -0.115 0.000 2.394 33 G HA2 -0.032 3.929 3.960 0.002 0.000 0.214 33 G HA3 -0.032 3.929 3.960 0.002 0.000 0.214 33 G C 0.508 175.387 174.900 -0.034 0.000 1.176 33 G CA -0.053 45.014 45.100 -0.054 0.000 0.786 33 G HN 0.304 nan 8.290 nan 0.000 0.533 34 V N 2.176 122.057 119.914 -0.055 0.000 2.890 34 V HA -0.081 4.040 4.120 0.002 0.000 0.294 34 V C 1.555 177.680 176.094 0.051 0.000 1.165 34 V CA 1.180 63.498 62.300 0.030 0.000 1.302 34 V CB 0.189 31.981 31.823 -0.050 0.000 0.820 34 V HN 0.540 nan 8.190 nan 0.000 0.468 35 S N 1.678 117.442 115.700 0.107 0.000 2.514 35 S HA 0.055 4.526 4.470 0.002 0.000 0.223 35 S C 0.628 175.296 174.600 0.113 0.000 1.046 35 S CA 0.031 58.281 58.200 0.083 0.000 0.914 35 S CB 0.070 63.308 63.200 0.064 0.000 0.807 35 S HN 0.780 nan 8.310 nan 0.000 0.497 36 D N 4.626 125.142 120.400 0.192 0.000 2.363 36 D HA 0.161 4.802 4.640 0.002 0.000 0.263 36 D C -1.255 175.137 176.300 0.153 0.000 1.258 36 D CA -1.945 52.183 54.000 0.213 0.000 0.907 36 D CB 1.300 42.347 40.800 0.413 0.000 1.107 36 D HN 0.086 nan 8.370 nan 0.000 0.495 37 P HA -0.154 nan 4.420 nan 0.000 0.220 37 P C 0.353 177.693 177.300 0.066 0.000 1.144 37 P CA 0.990 64.132 63.100 0.071 0.000 0.800 37 P CB 0.530 32.260 31.700 0.049 0.000 0.772 38 D N 0.075 120.535 120.400 0.101 0.000 2.162 38 D HA -0.002 4.639 4.640 0.002 0.000 0.205 38 D C 2.281 178.708 176.300 0.212 0.000 0.964 38 D CA 1.302 55.370 54.000 0.114 0.000 0.847 38 D CB -0.663 40.238 40.800 0.169 0.000 0.988 38 D HN 0.048 nan 8.370 nan 0.000 0.480 39 A N 0.575 123.486 122.820 0.153 0.000 1.969 39 A HA -0.158 4.163 4.320 0.002 0.000 0.218 39 A C 1.970 179.694 177.584 0.233 0.000 1.169 39 A CA 1.103 53.177 52.037 0.063 0.000 0.635 39 A CB -0.396 18.391 19.000 -0.355 0.000 0.810 39 A HN 0.040 nan 8.150 nan 0.000 0.445 40 K N -0.042 120.462 120.400 0.173 0.000 2.152 40 K HA -0.147 4.174 4.320 0.002 0.000 0.206 40 K C 1.855 178.522 176.600 0.113 0.000 1.048 40 K CA 1.498 57.875 56.287 0.149 0.000 0.933 40 K CB -0.108 32.441 32.500 0.082 0.000 0.721 40 K HN 0.434 nan 8.250 nan 0.000 0.447 41 K N -0.587 119.832 120.400 0.031 0.000 2.116 41 K HA -0.066 4.255 4.320 0.002 0.000 0.203 41 K C 1.993 178.525 176.600 -0.113 0.000 1.052 41 K CA 0.988 57.222 56.287 -0.087 0.000 0.952 41 K CB -0.076 32.290 32.500 -0.224 0.000 0.729 41 K HN 0.062 nan 8.250 nan 0.000 0.446 42 F N -0.048 119.870 119.950 -0.053 0.000 2.186 42 F HA -0.161 4.367 4.527 0.002 0.000 0.299 42 F C 2.037 177.732 175.800 -0.176 0.000 1.090 42 F CA 1.219 59.135 58.000 -0.140 0.000 1.307 42 F CB -0.467 38.376 39.000 -0.261 0.000 1.019 42 F HN 0.008 nan 8.300 nan 0.000 0.489 43 Y N -0.504 119.835 120.300 0.064 0.000 2.314 43 Y HA -0.058 4.493 4.550 0.002 0.000 0.293 43 Y C 2.396 178.298 175.900 0.002 0.000 1.129 43 Y CA 0.786 58.880 58.100 -0.009 0.000 1.201 43 Y CB -0.919 37.530 38.460 -0.018 0.000 0.999 43 Y HN 0.006 nan 8.280 nan 0.000 0.541 44 A N 0.422 123.334 122.820 0.154 0.000 1.845 44 A HA -0.178 4.143 4.320 0.002 0.000 0.215 44 A C 2.219 179.846 177.584 0.072 0.000 1.195 44 A CA 1.929 54.021 52.037 0.092 0.000 0.616 44 A CB -1.093 17.937 19.000 0.050 0.000 0.832 44 A HN 0.409 nan 8.150 nan 0.000 0.443 45 I N -0.286 120.310 120.570 0.043 0.000 2.127 45 I HA -0.262 3.909 4.170 0.002 0.000 0.241 45 I C 2.586 178.747 176.117 0.072 0.000 1.075 45 I CA 1.944 63.273 61.300 0.049 0.000 1.334 45 I CB -0.824 37.192 38.000 0.026 0.000 1.040 45 I HN 0.280 nan 8.210 nan 0.000 0.405 46 T N -0.316 114.268 114.554 0.049 0.000 2.833 46 T HA -0.142 4.208 4.350 0.002 0.000 0.269 46 T C 1.851 176.569 174.700 0.030 0.000 1.054 46 T CA 1.875 63.976 62.100 0.001 0.000 1.135 46 T CB -0.354 68.409 68.868 -0.174 0.000 0.869 46 T HN 0.387 nan 8.240 nan 0.000 0.466 47 T N 1.984 116.595 114.554 0.096 0.000 2.896 47 T HA 0.185 4.536 4.350 0.002 0.000 0.263 47 T C 1.944 176.763 174.700 0.199 0.000 1.050 47 T CA 0.475 62.712 62.100 0.228 0.000 1.140 47 T CB -0.293 68.709 68.868 0.223 0.000 0.877 47 T HN 0.226 nan 8.240 nan 0.000 0.457 48 L N 0.975 122.282 121.223 0.140 0.000 2.191 48 L HA -0.086 4.255 4.340 0.002 0.000 0.212 48 L C 2.499 179.455 176.870 0.143 0.000 1.103 48 L CA 0.658 55.571 54.840 0.121 0.000 0.769 48 L CB -0.479 41.634 42.059 0.089 0.000 0.908 48 L HN 0.163 nan 8.230 nan 0.000 0.438 49 V N 0.774 120.783 119.914 0.157 0.000 2.233 49 V HA -0.190 3.931 4.120 0.002 0.000 0.247 49 V C -0.224 175.994 176.094 0.207 0.000 1.050 49 V CA 2.311 64.712 62.300 0.168 0.000 1.010 49 V CB -1.824 30.085 31.823 0.144 0.000 0.637 49 V HN 0.396 nan 8.190 nan 0.000 0.444 50 P HA -0.073 nan 4.420 nan 0.000 0.222 50 P C 1.523 178.969 177.300 0.243 0.000 1.153 50 P CA 1.866 65.124 63.100 0.263 0.000 0.798 50 P CB 0.016 31.900 31.700 0.305 0.000 0.796 51 A N 0.326 123.271 122.820 0.208 0.000 1.933 51 A HA -0.135 4.186 4.320 0.002 0.000 0.218 51 A C 2.311 180.022 177.584 0.212 0.000 1.175 51 A CA 1.314 53.458 52.037 0.179 0.000 0.628 51 A CB -1.466 17.610 19.000 0.128 0.000 0.814 51 A HN 0.141 nan 8.150 nan 0.000 0.444 52 I N -0.572 120.105 120.570 0.177 0.000 2.333 52 I HA -0.173 3.998 4.170 0.002 0.000 0.246 52 I C 2.936 179.155 176.117 0.170 0.000 1.106 52 I CA 0.808 62.196 61.300 0.146 0.000 1.411 52 I CB -0.346 37.731 38.000 0.127 0.000 1.082 52 I HN 0.328 nan 8.210 nan 0.000 0.420 53 A N 1.073 124.023 122.820 0.216 0.000 1.940 53 A HA -0.281 4.040 4.320 0.002 0.000 0.219 53 A C 2.246 180.020 177.584 0.317 0.000 1.176 53 A CA 1.673 53.865 52.037 0.257 0.000 0.631 53 A CB -1.014 18.176 19.000 0.317 0.000 0.814 53 A HN 0.491 nan 8.150 nan 0.000 0.446 54 F N 1.974 122.018 119.950 0.157 0.000 2.075 54 F HA -0.222 4.306 4.527 0.001 0.000 0.297 54 F C 2.756 178.618 175.800 0.104 0.000 1.113 54 F CA 2.751 60.828 58.000 0.128 0.000 1.218 54 F CB -0.886 38.161 39.000 0.077 0.000 0.984 54 F HN 0.339 nan 8.300 nan 0.000 0.472 55 T N -0.940 113.636 114.554 0.037 0.000 2.665 55 T HA -0.264 4.087 4.350 0.002 0.000 0.268 55 T C 1.934 176.524 174.700 -0.182 0.000 1.035 55 T CA 1.796 63.814 62.100 -0.137 0.000 1.151 55 T CB -0.561 68.325 68.868 0.029 0.000 0.862 55 T HN 0.281 nan 8.240 nan 0.000 0.438 56 M N -0.306 119.224 119.600 -0.116 0.000 2.200 56 M HA 0.115 4.596 4.480 0.002 0.000 0.265 56 M C 2.170 178.298 176.300 -0.288 0.000 1.066 56 M CA 1.149 56.323 55.300 -0.210 0.000 1.127 56 M CB -1.217 31.243 32.600 -0.232 0.000 1.379 56 M HN 0.304 nan 8.290 nan 0.000 0.420 57 Y N 0.457 120.614 120.300 -0.237 0.000 2.242 57 Y HA -0.203 4.348 4.550 0.001 0.000 0.291 57 Y C 2.302 178.042 175.900 -0.266 0.000 1.137 57 Y CA 1.187 59.147 58.100 -0.234 0.000 1.181 57 Y CB -0.420 37.952 38.460 -0.147 0.000 0.989 57 Y HN 0.103 nan 8.280 nan 0.000 0.527 58 L N -0.256 120.834 121.223 -0.222 0.000 2.056 58 L HA -0.168 4.173 4.340 0.002 0.000 0.207 58 L C 2.562 179.337 176.870 -0.158 0.000 1.078 58 L CA 2.156 56.831 54.840 -0.275 0.000 0.749 58 L CB -1.215 40.516 42.059 -0.546 0.000 0.901 58 L HN 0.268 nan 8.230 nan 0.000 0.433 59 S N -0.926 114.672 115.700 -0.171 0.000 2.370 59 S HA -0.275 4.195 4.470 0.002 0.000 0.226 59 S C 1.996 176.561 174.600 -0.058 0.000 1.033 59 S CA 1.769 59.914 58.200 -0.092 0.000 1.011 59 S CB -0.695 62.438 63.200 -0.111 0.000 0.852 59 S HN 0.535 nan 8.310 nan 0.000 0.457 60 M N 0.229 119.732 119.600 -0.160 0.000 2.175 60 M HA 0.060 4.541 4.480 0.002 0.000 0.264 60 M C 2.305 178.609 176.300 0.007 0.000 1.063 60 M CA 1.147 56.367 55.300 -0.133 0.000 1.119 60 M CB -0.515 31.808 32.600 -0.462 0.000 1.377 60 M HN 0.395 nan 8.290 nan 0.000 0.415 61 L N 0.854 122.075 121.223 -0.002 0.000 2.027 61 L HA -0.093 4.247 4.340 0.002 0.000 0.206 61 L C 1.903 178.833 176.870 0.101 0.000 1.074 61 L CA 1.775 56.664 54.840 0.083 0.000 0.745 61 L CB -0.506 41.601 42.059 0.079 0.000 0.898 61 L HN 0.243 nan 8.230 nan 0.000 0.433 62 L N -0.584 120.676 121.223 0.061 0.000 2.622 62 L HA 0.121 4.462 4.340 0.002 0.000 0.233 62 L C 1.701 178.632 176.870 0.102 0.000 1.156 62 L CA 0.717 55.598 54.840 0.068 0.000 0.866 62 L CB -0.925 41.159 42.059 0.042 0.000 0.980 62 L HN 0.643 nan 8.230 nan 0.000 0.448 63 G N -0.861 108.014 108.800 0.125 0.000 2.241 63 G HA2 -0.418 3.543 3.960 0.002 0.000 0.244 63 G HA3 -0.418 3.543 3.960 0.002 0.000 0.244 63 G C 0.726 175.710 174.900 0.141 0.000 0.998 63 G CA 0.478 45.658 45.100 0.133 0.000 0.621 63 G HN 0.343 nan 8.290 nan 0.000 0.519 64 Y N 1.510 121.834 120.300 0.039 0.000 2.181 64 Y HA 0.154 4.705 4.550 0.001 0.000 0.288 64 Y C 2.608 178.535 175.900 0.046 0.000 1.146 64 Y CA 2.663 60.810 58.100 0.079 0.000 1.164 64 Y CB -0.365 38.135 38.460 0.067 0.000 0.982 64 Y HN 0.255 nan 8.280 nan 0.000 0.515 65 G N 0.281 109.029 108.800 -0.087 0.000 2.882 65 G HA2 -0.005 3.956 3.960 0.002 0.000 0.206 65 G HA3 -0.005 3.956 3.960 0.002 0.000 0.206 65 G C 0.208 174.725 174.900 -0.638 0.000 1.155 65 G CA -0.142 44.504 45.100 -0.755 0.000 0.800 65 G HN 0.278 nan 8.290 nan 0.000 0.524 66 L N 0.159 121.300 121.223 -0.137 0.000 2.325 66 L HA 0.686 5.027 4.340 0.002 0.000 0.278 66 L C -0.342 176.579 176.870 0.085 0.000 1.023 66 L CA -0.379 54.371 54.840 -0.150 0.000 0.811 66 L CB 2.376 44.267 42.059 -0.279 0.000 1.249 66 L HN 0.041 nan 8.230 nan 0.000 0.431 67 T N 3.959 118.585 114.554 0.119 0.000 2.841 67 T HA 0.573 4.924 4.350 0.002 0.000 0.296 67 T C -1.096 173.621 174.700 0.029 0.000 1.166 67 T CA -0.663 61.512 62.100 0.125 0.000 1.007 67 T CB 1.488 70.474 68.868 0.196 0.000 1.253 67 T HN 0.393 nan 8.240 nan 0.000 0.511 68 M N 3.042 122.648 119.600 0.010 0.000 2.253 68 M HA 0.533 5.013 4.480 0.002 0.000 0.314 68 M C -1.218 175.091 176.300 0.014 0.000 1.019 68 M CA -0.748 54.546 55.300 -0.010 0.000 0.932 68 M CB 1.391 33.970 32.600 -0.035 0.000 1.606 68 M HN 0.344 nan 8.290 nan 0.000 0.430 69 V N 6.568 126.507 119.914 0.042 0.000 2.487 69 V HA 0.473 4.594 4.120 0.002 0.000 0.298 69 V C -2.115 174.023 176.094 0.075 0.000 1.028 69 V CA -1.511 60.849 62.300 0.100 0.000 0.860 69 V CB 2.506 34.451 31.823 0.203 0.000 0.991 69 V HN 0.576 nan 8.190 nan 0.000 0.427 70 P HA 0.329 nan 4.420 nan 0.000 0.280 70 P C -1.198 176.184 177.300 0.137 0.000 1.300 70 P CA 0.028 63.136 63.100 0.014 0.000 0.785 70 P CB 0.126 31.836 31.700 0.017 0.000 0.874 71 F N 1.251 121.210 119.950 0.015 0.000 2.628 71 F HA 0.684 5.212 4.527 0.001 0.000 0.309 71 F C 0.437 176.209 175.800 -0.046 0.000 1.108 71 F CA -0.144 57.880 58.000 0.040 0.000 0.971 71 F CB 1.043 40.124 39.000 0.136 0.000 1.279 71 F HN 0.658 nan 8.300 nan 0.000 0.441 72 G N 2.073 110.954 108.800 0.135 0.000 2.728 72 G HA2 0.213 4.174 3.960 0.002 0.000 0.269 72 G HA3 0.213 4.174 3.960 0.002 0.000 0.269 72 G C 0.489 175.322 174.900 -0.111 0.000 1.334 72 G CA 0.117 45.140 45.100 -0.127 0.000 0.974 72 G HN 2.147 nan 8.290 nan 0.000 0.550 73 G N 0.795 109.500 108.800 -0.159 0.000 4.921 73 G HA2 0.665 4.626 3.960 0.002 0.000 0.248 73 G HA3 0.665 4.626 3.960 0.002 0.000 0.248 73 G C -0.170 174.649 174.900 -0.134 0.000 1.026 73 G CA 1.135 46.167 45.100 -0.114 0.000 0.825 73 G HN 1.022 nan 8.290 nan 0.000 0.538 74 E N -0.581 119.509 120.200 -0.183 0.000 2.394 74 E HA 0.425 4.776 4.350 0.002 0.000 0.266 74 E C -1.320 175.151 176.600 -0.214 0.000 1.065 74 E CA -1.012 55.273 56.400 -0.191 0.000 0.885 74 E CB 0.854 30.419 29.700 -0.225 0.000 1.659 74 E HN -0.063 nan 8.360 nan 0.000 0.462 75 Q N 1.255 120.939 119.800 -0.193 0.000 2.339 75 Q HA 0.386 4.727 4.340 0.002 0.000 0.268 75 Q C -1.237 174.642 176.000 -0.201 0.000 1.027 75 Q CA -0.469 55.236 55.803 -0.163 0.000 0.759 75 Q CB 1.496 30.176 28.738 -0.097 0.000 1.244 75 Q HN 0.398 nan 8.270 nan 0.000 0.464 76 N N 3.999 122.543 118.700 -0.259 0.000 2.456 76 N HA 0.324 5.065 4.740 0.002 0.000 0.288 76 N C -2.464 172.996 175.510 -0.085 0.000 1.059 76 N CA -1.490 51.422 53.050 -0.230 0.000 0.946 76 N CB 1.731 39.950 38.487 -0.447 0.000 1.150 76 N HN 0.209 nan 8.380 nan 0.000 0.479 77 P HA 0.197 nan 4.420 nan 0.000 0.273 77 P C -0.627 176.610 177.300 -0.106 0.000 1.428 77 P CA -0.051 62.975 63.100 -0.125 0.000 0.995 77 P CB 0.219 31.830 31.700 -0.148 0.000 1.286 78 I N 4.847 125.391 120.570 -0.043 0.000 2.330 78 I HA 0.196 4.367 4.170 0.002 0.000 0.289 78 I C 0.276 176.424 176.117 0.050 0.000 1.001 78 I CA -1.204 60.141 61.300 0.075 0.000 1.193 78 I CB 0.247 38.362 38.000 0.192 0.000 1.345 78 I HN 0.250 nan 8.210 nan 0.000 0.461 79 Y N 6.327 126.678 120.300 0.085 0.000 2.613 79 Y HA 0.067 4.618 4.550 0.001 0.000 0.354 79 Y C 1.252 177.104 175.900 -0.081 0.000 1.063 79 Y CA -0.350 57.690 58.100 -0.100 0.000 1.384 79 Y CB 0.353 38.714 38.460 -0.165 0.000 1.199 79 Y HN 0.627 nan 8.280 nan 0.000 0.517 80 W N 0.845 122.246 121.300 0.169 0.000 2.678 80 W HA 0.094 4.755 4.660 0.002 0.000 0.256 80 W C 1.111 177.667 176.519 0.061 0.000 1.280 80 W CA 0.784 58.258 57.345 0.216 0.000 1.345 80 W CB -0.812 28.726 29.460 0.130 0.000 1.118 80 W HN 0.548 nan 8.180 nan 0.000 0.629 81 A N 2.146 124.515 122.820 -0.751 0.000 2.024 81 A HA -0.195 4.126 4.320 0.002 0.000 0.220 81 A C 2.193 179.429 177.584 -0.580 0.000 1.164 81 A CA 1.577 53.182 52.037 -0.719 0.000 0.643 81 A CB -0.743 17.748 19.000 -0.848 0.000 0.806 81 A HN 0.338 nan 8.150 nan 0.000 0.451 82 R N -1.544 118.456 120.500 -0.834 0.000 2.083 82 R HA -0.197 4.144 4.340 0.002 0.000 0.237 82 R C 1.924 177.309 176.300 -1.525 0.000 1.137 82 R CA 1.993 57.149 56.100 -1.572 0.000 0.951 82 R CB -0.612 28.437 30.300 -2.084 0.000 0.851 82 R HN 0.699 nan 8.270 nan 0.000 0.434 83 Y N 0.342 120.320 120.300 -0.537 0.000 2.293 83 Y HA -0.085 4.466 4.550 0.001 0.000 0.291 83 Y C 2.503 178.360 175.900 -0.072 0.000 1.137 83 Y CA 0.831 58.832 58.100 -0.165 0.000 1.202 83 Y CB -0.492 37.974 38.460 0.010 0.000 0.990 83 Y HN 0.129 nan 8.280 nan 0.000 0.537 84 A N -0.054 122.822 122.820 0.093 0.000 1.898 84 A HA -0.191 4.130 4.320 0.002 0.000 0.216 84 A C 1.987 179.658 177.584 0.145 0.000 1.181 84 A CA 1.827 53.975 52.037 0.186 0.000 0.620 84 A CB -0.693 18.487 19.000 0.301 0.000 0.819 84 A HN 0.429 nan 8.150 nan 0.000 0.442 85 D N -0.905 119.451 120.400 -0.072 0.000 2.077 85 D HA -0.186 4.455 4.640 0.002 0.000 0.197 85 D C 1.763 178.128 176.300 0.108 0.000 0.983 85 D CA 1.337 55.316 54.000 -0.036 0.000 0.841 85 D CB -0.466 40.145 40.800 -0.314 0.000 0.992 85 D HN 0.487 nan 8.370 nan 0.000 0.450 86 W N 0.734 121.960 121.300 -0.122 0.000 2.321 86 W HA -0.154 4.507 4.660 0.001 0.000 0.285 86 W C 2.363 178.770 176.519 -0.186 0.000 1.213 86 W CA 0.284 57.505 57.345 -0.208 0.000 1.205 86 W CB -1.528 27.734 29.460 -0.331 0.000 1.134 86 W HN 0.170 nan 8.180 nan 0.000 0.549 87 L N -0.894 120.344 121.223 0.026 0.000 2.127 87 L HA -0.177 4.164 4.340 0.002 0.000 0.211 87 L C 1.967 178.579 176.870 -0.431 0.000 1.089 87 L CA 1.990 56.681 54.840 -0.249 0.000 0.757 87 L CB -0.687 41.116 42.059 -0.427 0.000 0.899 87 L HN -0.183 nan 8.230 nan 0.000 0.434 88 F N -2.608 117.384 119.950 0.069 0.000 2.559 88 F HA 0.100 4.628 4.527 0.001 0.000 0.286 88 F C 2.304 178.141 175.800 0.062 0.000 1.108 88 F CA 0.756 58.793 58.000 0.061 0.000 1.436 88 F CB -0.960 38.076 39.000 0.060 0.000 1.130 88 F HN -0.201 nan 8.300 nan 0.000 0.584 89 T N -0.312 114.387 114.554 0.242 0.000 2.737 89 T HA -0.163 4.188 4.350 0.002 0.000 0.265 89 T C 2.238 176.981 174.700 0.071 0.000 1.038 89 T CA 2.272 64.468 62.100 0.160 0.000 1.144 89 T CB -0.502 68.472 68.868 0.178 0.000 0.866 89 T HN 0.411 nan 8.240 nan 0.000 0.434 90 T N 0.266 114.814 114.554 -0.009 0.000 2.821 90 T HA -0.015 4.336 4.350 0.002 0.000 0.267 90 T C -0.831 173.951 174.700 0.138 0.000 1.046 90 T CA 0.676 62.748 62.100 -0.046 0.000 1.139 90 T CB -1.448 67.181 68.868 -0.398 0.000 0.871 90 T HN 0.306 nan 8.240 nan 0.000 0.454 91 P HA 0.175 nan 4.420 nan 0.000 0.220 91 P C 1.669 179.042 177.300 0.121 0.000 1.152 91 P CA 0.506 63.673 63.100 0.112 0.000 0.812 91 P CB -0.157 31.587 31.700 0.073 0.000 0.792 92 L N -1.484 119.811 121.223 0.120 0.000 2.027 92 L HA -0.144 4.197 4.340 0.002 0.000 0.206 92 L C 2.126 179.053 176.870 0.096 0.000 1.074 92 L CA 1.043 55.949 54.840 0.110 0.000 0.745 92 L CB -0.922 41.209 42.059 0.120 0.000 0.898 92 L HN -0.025 nan 8.230 nan 0.000 0.433 93 L N -0.681 120.586 121.223 0.072 0.000 2.042 93 L HA -0.227 4.114 4.340 0.002 0.000 0.210 93 L C 2.353 179.266 176.870 0.072 0.000 1.076 93 L CA 1.623 56.450 54.840 -0.021 0.000 0.749 93 L CB -1.009 41.005 42.059 -0.075 0.000 0.893 93 L HN 0.179 nan 8.230 nan 0.000 0.432 94 L N -1.542 119.759 121.223 0.130 0.000 2.275 94 L HA -0.141 4.200 4.340 0.002 0.000 0.215 94 L C 2.218 179.202 176.870 0.189 0.000 1.119 94 L CA 1.111 56.028 54.840 0.128 0.000 0.790 94 L CB -0.864 41.270 42.059 0.125 0.000 0.919 94 L HN 0.186 nan 8.230 nan 0.000 0.443 95 L N -1.079 120.236 121.223 0.154 0.000 2.179 95 L HA -0.091 4.250 4.340 0.002 0.000 0.208 95 L C 2.037 178.982 176.870 0.125 0.000 1.096 95 L CA 1.330 56.245 54.840 0.124 0.000 0.779 95 L CB -0.562 41.539 42.059 0.071 0.000 0.922 95 L HN 0.198 nan 8.230 nan 0.000 0.443 96 D N -0.883 119.631 120.400 0.190 0.000 2.097 96 D HA -0.150 4.491 4.640 0.002 0.000 0.195 96 D C 2.157 178.685 176.300 0.380 0.000 0.989 96 D CA 1.000 55.175 54.000 0.292 0.000 0.827 96 D CB 0.072 41.133 40.800 0.435 0.000 0.966 96 D HN 0.130 nan 8.370 nan 0.000 0.456 97 L N 0.902 122.370 121.223 0.408 0.000 2.046 97 L HA -0.057 4.284 4.340 0.002 0.000 0.208 97 L C 2.392 179.483 176.870 0.367 0.000 1.077 97 L CA 1.215 56.352 54.840 0.495 0.000 0.747 97 L CB -1.252 41.146 42.059 0.564 0.000 0.896 97 L HN -0.064 nan 8.230 nan 0.000 0.432 98 A N -1.042 121.981 122.820 0.339 0.000 1.930 98 A HA -0.127 4.194 4.320 0.002 0.000 0.217 98 A C 2.303 179.825 177.584 -0.103 0.000 1.175 98 A CA 1.286 53.342 52.037 0.032 0.000 0.627 98 A CB -0.550 18.566 19.000 0.193 0.000 0.815 98 A HN 0.363 nan 8.150 nan 0.000 0.443 99 L N -1.191 120.025 121.223 -0.012 0.000 2.027 99 L HA -0.140 4.201 4.340 0.002 0.000 0.206 99 L C 2.576 179.496 176.870 0.084 0.000 1.074 99 L CA 1.207 56.004 54.840 -0.072 0.000 0.745 99 L CB -0.685 41.175 42.059 -0.331 0.000 0.898 99 L HN 0.446 nan 8.230 nan 0.000 0.433 100 L N -0.262 121.132 121.223 0.285 0.000 2.013 100 L HA -0.202 4.139 4.340 0.002 0.000 0.212 100 L C 2.216 179.082 176.870 -0.007 0.000 1.073 100 L CA 1.736 56.738 54.840 0.270 0.000 0.753 100 L CB -0.430 41.774 42.059 0.241 0.000 0.890 100 L HN -0.031 nan 8.230 nan 0.000 0.432 101 V N -0.944 118.853 119.914 -0.194 0.000 3.506 101 V HA 0.037 4.158 4.120 0.002 0.000 0.263 101 V C 0.240 176.113 176.094 -0.368 0.000 1.203 101 V CA 0.931 62.980 62.300 -0.419 0.000 1.133 101 V CB -0.737 30.587 31.823 -0.831 0.000 0.802 101 V HN 0.853 nan 8.190 nan 0.000 0.459 102 D N 0.083 120.318 120.400 -0.276 0.000 2.872 102 D HA -0.129 4.512 4.640 0.002 0.000 0.248 102 D C 0.098 176.240 176.300 -0.263 0.000 1.104 102 D CA 0.608 54.481 54.000 -0.211 0.000 0.784 102 D CB -0.808 39.905 40.800 -0.145 0.000 1.036 102 D HN 0.677 nan 8.370 nan 0.000 0.426 103 A N 1.332 123.951 122.820 -0.334 0.000 2.304 103 A HA 0.469 4.790 4.320 0.002 0.000 0.271 103 A C 0.373 177.893 177.584 -0.107 0.000 1.091 103 A CA -0.456 51.409 52.037 -0.287 0.000 0.812 103 A CB 0.593 19.359 19.000 -0.390 0.000 1.056 103 A HN 0.333 nan 8.150 nan 0.000 0.489 104 D N 0.493 120.866 120.400 -0.045 0.000 2.399 104 D HA 0.111 4.752 4.640 0.002 0.000 0.241 104 D C 1.091 177.406 176.300 0.023 0.000 1.133 104 D CA 0.231 54.228 54.000 -0.005 0.000 0.890 104 D CB 0.796 41.605 40.800 0.015 0.000 1.201 104 D HN 0.588 nan 8.370 nan 0.000 0.432 105 Q N 0.933 120.744 119.800 0.017 0.000 2.297 105 Q HA -0.103 4.238 4.340 0.002 0.000 0.208 105 Q C 1.855 177.882 176.000 0.045 0.000 0.981 105 Q CA 1.188 57.008 55.803 0.027 0.000 0.876 105 Q CB 0.040 28.787 28.738 0.016 0.000 0.921 105 Q HN 0.651 nan 8.270 nan 0.000 0.446 106 G N 0.083 108.912 108.800 0.048 0.000 2.394 106 G HA2 -0.258 3.703 3.960 0.002 0.000 0.214 106 G HA3 -0.258 3.703 3.960 0.002 0.000 0.214 106 G C 1.433 176.386 174.900 0.089 0.000 1.176 106 G CA 1.230 46.365 45.100 0.059 0.000 0.786 106 G HN 0.416 nan 8.290 nan 0.000 0.533 107 T N 0.189 114.811 114.554 0.113 0.000 2.867 107 T HA 0.012 4.363 4.350 0.002 0.000 0.268 107 T C 2.423 177.234 174.700 0.185 0.000 1.057 107 T CA 1.034 63.235 62.100 0.169 0.000 1.136 107 T CB -0.257 68.745 68.868 0.225 0.000 0.874 107 T HN 0.242 nan 8.240 nan 0.000 0.466 108 I N 0.622 121.288 120.570 0.160 0.000 2.315 108 I HA -0.038 4.133 4.170 0.002 0.000 0.248 108 I C 2.402 178.588 176.117 0.115 0.000 1.117 108 I CA 0.833 62.225 61.300 0.153 0.000 1.404 108 I CB -0.442 37.623 38.000 0.109 0.000 1.071 108 I HN 0.287 nan 8.210 nan 0.000 0.419 109 L N 1.380 122.657 121.223 0.090 0.000 2.093 109 L HA -0.077 4.264 4.340 0.002 0.000 0.208 109 L C 2.518 179.432 176.870 0.072 0.000 1.085 109 L CA 2.001 56.882 54.840 0.069 0.000 0.755 109 L CB -0.864 41.225 42.059 0.051 0.000 0.904 109 L HN 0.158 nan 8.230 nan 0.000 0.435 110 A N -0.786 122.092 122.820 0.097 0.000 1.898 110 A HA -0.138 4.183 4.320 0.002 0.000 0.216 110 A C 2.155 179.826 177.584 0.145 0.000 1.181 110 A CA 1.782 53.886 52.037 0.111 0.000 0.620 110 A CB -0.792 18.314 19.000 0.178 0.000 0.819 110 A HN 0.415 nan 8.150 nan 0.000 0.442 111 L N -0.400 120.921 121.223 0.163 0.000 2.027 111 L HA -0.095 4.246 4.340 0.002 0.000 0.206 111 L C 2.614 179.551 176.870 0.112 0.000 1.074 111 L CA 1.497 56.425 54.840 0.147 0.000 0.745 111 L CB -0.779 41.340 42.059 0.100 0.000 0.898 111 L HN 0.200 nan 8.230 nan 0.000 0.433 112 V N -0.403 119.567 119.914 0.094 0.000 2.407 112 V HA -0.219 3.902 4.120 0.002 0.000 0.248 112 V C 2.512 178.631 176.094 0.043 0.000 1.055 112 V CA 1.764 64.106 62.300 0.070 0.000 1.049 112 V CB -1.385 30.476 31.823 0.063 0.000 0.662 112 V HN 0.587 nan 8.190 nan 0.000 0.455 113 G N -0.437 108.385 108.800 0.037 0.000 2.404 113 G HA2 -0.171 3.790 3.960 0.002 0.000 0.215 113 G HA3 -0.171 3.790 3.960 0.002 0.000 0.215 113 G C 1.769 176.665 174.900 -0.006 0.000 1.174 113 G CA 0.926 46.030 45.100 0.006 0.000 0.780 113 G HN 0.599 nan 8.290 nan 0.000 0.537 114 A N 0.514 123.342 122.820 0.014 0.000 1.972 114 A HA -0.078 4.243 4.320 0.002 0.000 0.219 114 A C 2.090 179.694 177.584 0.033 0.000 1.169 114 A CA 2.051 54.093 52.037 0.010 0.000 0.635 114 A CB -0.435 18.627 19.000 0.104 0.000 0.810 114 A HN 0.389 nan 8.150 nan 0.000 0.446 115 D N -0.455 119.978 120.400 0.056 0.000 2.123 115 D HA -0.072 4.569 4.640 0.002 0.000 0.200 115 D C 2.102 178.393 176.300 -0.015 0.000 0.976 115 D CA 1.394 55.421 54.000 0.045 0.000 0.831 115 D CB -0.290 40.561 40.800 0.086 0.000 0.974 115 D HN 0.344 nan 8.370 nan 0.000 0.469 116 G N 1.236 110.021 108.800 -0.026 0.000 2.440 116 G HA2 -0.209 3.752 3.960 0.002 0.000 0.218 116 G HA3 -0.209 3.752 3.960 0.002 0.000 0.218 116 G C 1.938 176.804 174.900 -0.058 0.000 1.154 116 G CA 0.462 45.525 45.100 -0.061 0.000 0.767 116 G HN 0.342 nan 8.290 nan 0.000 0.552 117 I N 0.242 120.786 120.570 -0.044 0.000 2.394 117 I HA -0.126 4.045 4.170 0.002 0.000 0.251 117 I C 2.724 178.812 176.117 -0.047 0.000 1.136 117 I CA 0.993 62.267 61.300 -0.045 0.000 1.425 117 I CB -0.172 37.804 38.000 -0.040 0.000 1.079 117 I HN 0.237 nan 8.210 nan 0.000 0.425 118 M N 0.644 120.216 119.600 -0.046 0.000 2.132 118 M HA -0.180 4.301 4.480 0.002 0.000 0.263 118 M C 2.136 178.398 176.300 -0.063 0.000 1.065 118 M CA 1.806 57.066 55.300 -0.066 0.000 1.122 118 M CB 0.173 32.735 32.600 -0.064 0.000 1.365 118 M HN 0.074 nan 8.290 nan 0.000 0.411 119 I N 0.024 120.571 120.570 -0.038 0.000 2.277 119 I HA -0.048 4.123 4.170 0.002 0.000 0.243 119 I C 2.655 178.780 176.117 0.013 0.000 1.094 119 I CA 1.433 62.761 61.300 0.045 0.000 1.393 119 I CB -2.257 35.772 38.000 0.049 0.000 1.078 119 I HN 0.359 nan 8.210 nan 0.000 0.417 120 G N 0.456 109.219 108.800 -0.062 0.000 2.421 120 G HA2 -0.233 3.728 3.960 0.002 0.000 0.216 120 G HA3 -0.233 3.728 3.960 0.002 0.000 0.216 120 G C 1.700 176.476 174.900 -0.207 0.000 1.171 120 G CA 1.410 46.435 45.100 -0.126 0.000 0.775 120 G HN 0.297 nan 8.290 nan 0.000 0.543 121 T N 0.770 115.227 114.554 -0.161 0.000 2.788 121 T HA -0.032 4.319 4.350 0.002 0.000 0.268 121 T C 2.440 177.027 174.700 -0.189 0.000 1.044 121 T CA 1.507 63.510 62.100 -0.161 0.000 1.139 121 T CB -0.408 68.475 68.868 0.025 0.000 0.867 121 T HN 0.363 nan 8.240 nan 0.000 0.454 122 G N 0.965 109.666 108.800 -0.164 0.000 2.421 122 G HA2 -0.084 3.877 3.960 0.002 0.000 0.217 122 G HA3 -0.084 3.877 3.960 0.002 0.000 0.217 122 G C 1.481 176.148 174.900 -0.388 0.000 1.143 122 G CA 0.445 45.426 45.100 -0.197 0.000 0.784 122 G HN 0.418 nan 8.290 nan 0.000 0.541 123 L N 0.912 121.834 121.223 -0.502 0.000 2.072 123 L HA 0.095 4.436 4.340 0.002 0.000 0.205 123 L C 2.797 179.379 176.870 -0.480 0.000 1.079 123 L CA 1.297 55.695 54.840 -0.736 0.000 0.752 123 L CB -0.528 41.288 42.059 -0.404 0.000 0.906 123 L HN 0.061 nan 8.230 nan 0.000 0.436 124 V N 0.143 119.763 119.914 -0.490 0.000 2.427 124 V HA -0.168 3.953 4.120 0.002 0.000 0.248 124 V C 2.594 178.398 176.094 -0.484 0.000 1.051 124 V CA 1.654 63.585 62.300 -0.615 0.000 1.048 124 V CB -1.471 29.660 31.823 -1.152 0.000 0.666 124 V HN 0.622 nan 8.190 nan 0.000 0.456 125 G N -0.466 108.144 108.800 -0.316 0.000 2.408 125 G HA2 -0.164 3.797 3.960 0.002 0.000 0.217 125 G HA3 -0.164 3.797 3.960 0.002 0.000 0.217 125 G C 1.741 176.772 174.900 0.217 0.000 1.150 125 G CA 0.954 46.107 45.100 0.088 0.000 0.776 125 G HN 0.594 nan 8.290 nan 0.000 0.542 126 A N 0.491 123.418 122.820 0.177 0.000 1.930 126 A HA 0.192 4.512 4.320 0.002 0.000 0.217 126 A C 2.282 179.906 177.584 0.068 0.000 1.175 126 A CA 0.989 53.145 52.037 0.199 0.000 0.627 126 A CB -0.275 18.807 19.000 0.137 0.000 0.815 126 A HN 0.346 nan 8.150 nan 0.000 0.443 127 L N -0.250 120.959 121.223 -0.022 0.000 2.558 127 L HA 0.041 4.381 4.340 0.002 0.000 0.225 127 L C 0.384 177.264 176.870 0.017 0.000 1.128 127 L CA -0.043 54.791 54.840 -0.010 0.000 0.868 127 L CB -0.465 41.544 42.059 -0.085 0.000 1.006 127 L HN 0.088 nan 8.230 nan 0.000 0.454 128 T N 0.801 115.366 114.554 0.019 0.000 2.817 128 T HA 0.032 4.383 4.350 0.002 0.000 0.295 128 T C 1.205 175.975 174.700 0.117 0.000 0.958 128 T CA 0.077 62.230 62.100 0.087 0.000 1.157 128 T CB 1.003 69.982 68.868 0.185 0.000 0.898 128 T HN 0.208 nan 8.240 nan 0.000 0.536 129 K N 1.980 122.470 120.400 0.150 0.000 2.155 129 K HA 0.026 4.347 4.320 0.002 0.000 0.203 129 K C 0.591 177.307 176.600 0.193 0.000 1.052 129 K CA 0.547 56.946 56.287 0.187 0.000 0.948 129 K CB 0.202 32.786 32.500 0.139 0.000 0.728 129 K HN 0.346 nan 8.250 nan 0.000 0.448 130 V N 2.815 122.813 119.914 0.140 0.000 2.397 130 V HA -0.069 4.052 4.120 0.002 0.000 0.262 130 V C 0.848 176.972 176.094 0.051 0.000 1.047 130 V CA -0.103 62.212 62.300 0.025 0.000 1.003 130 V CB -0.034 31.652 31.823 -0.229 0.000 1.037 130 V HN 0.195 nan 8.190 nan 0.000 0.480 131 Y N 4.532 124.831 120.300 -0.001 0.000 2.069 131 Y HA -0.339 4.212 4.550 0.001 0.000 0.278 131 Y C 2.696 178.647 175.900 0.086 0.000 1.175 131 Y CA 2.454 60.566 58.100 0.021 0.000 1.134 131 Y CB -0.260 38.294 38.460 0.157 0.000 0.965 131 Y HN 0.652 nan 8.280 nan 0.000 0.498 132 S N -0.948 114.788 115.700 0.060 0.000 2.365 132 S HA -0.246 4.225 4.470 0.002 0.000 0.225 132 S C 1.955 176.671 174.600 0.195 0.000 1.039 132 S CA 1.765 60.003 58.200 0.063 0.000 1.033 132 S CB -0.721 62.452 63.200 -0.046 0.000 0.887 132 S HN 0.565 nan 8.310 nan 0.000 0.447 133 Y N 1.736 122.087 120.300 0.085 0.000 2.333 133 Y HA 0.093 4.644 4.550 0.002 0.000 0.290 133 Y C 2.434 178.377 175.900 0.071 0.000 1.144 133 Y CA 0.554 58.685 58.100 0.052 0.000 1.228 133 Y CB -0.903 37.619 38.460 0.103 0.000 0.985 133 Y HN 0.309 nan 8.280 nan 0.000 0.542 134 R N -0.999 119.584 120.500 0.139 0.000 2.200 134 R HA -0.171 4.170 4.340 0.002 0.000 0.234 134 R C 1.539 177.785 176.300 -0.090 0.000 1.127 134 R CA 1.447 57.549 56.100 0.002 0.000 0.989 134 R CB -0.541 29.519 30.300 -0.401 0.000 0.869 134 R HN 0.277 nan 8.270 nan 0.000 0.459 135 F N -1.002 119.031 119.950 0.139 0.000 2.569 135 F HA -0.009 4.519 4.527 0.001 0.000 0.295 135 F C 2.160 178.071 175.800 0.185 0.000 1.115 135 F CA 0.271 58.363 58.000 0.153 0.000 1.450 135 F CB -0.160 38.830 39.000 -0.017 0.000 1.107 135 F HN -0.250 nan 8.300 nan 0.000 0.563 136 V N -0.849 119.167 119.914 0.170 0.000 2.270 136 V HA -0.303 3.818 4.120 0.002 0.000 0.245 136 V C 2.000 178.024 176.094 -0.116 0.000 1.043 136 V CA 1.833 64.088 62.300 -0.074 0.000 1.014 136 V CB -0.876 30.721 31.823 -0.377 0.000 0.645 136 V HN 0.410 nan 8.190 nan 0.000 0.447 137 W N -1.137 120.196 121.300 0.055 0.000 2.342 137 W HA -0.215 4.446 4.660 0.001 0.000 0.297 137 W C 2.462 178.933 176.519 -0.080 0.000 1.213 137 W CA 1.096 58.420 57.345 -0.034 0.000 1.251 137 W CB -0.561 28.864 29.460 -0.058 0.000 1.136 137 W HN 0.387 nan 8.180 nan 0.000 0.526 138 W N 1.183 122.463 121.300 -0.033 0.000 2.358 138 W HA -0.188 4.474 4.660 0.002 0.000 0.303 138 W C 2.365 178.844 176.519 -0.068 0.000 1.208 138 W CA 2.757 59.974 57.345 -0.214 0.000 1.274 138 W CB -0.595 28.743 29.460 -0.202 0.000 1.138 138 W HN -0.139 nan 8.180 nan 0.000 0.515 139 A N 0.600 123.534 122.820 0.189 0.000 1.902 139 A HA -0.185 4.136 4.320 0.002 0.000 0.217 139 A C 1.990 179.470 177.584 -0.173 0.000 1.181 139 A CA 2.088 54.116 52.037 -0.015 0.000 0.623 139 A CB -1.039 18.055 19.000 0.157 0.000 0.818 139 A HN 0.410 nan 8.150 nan 0.000 0.443 140 I N -0.816 119.694 120.570 -0.099 0.000 2.315 140 I HA -0.173 3.998 4.170 0.002 0.000 0.248 140 I C 2.766 178.815 176.117 -0.114 0.000 1.117 140 I CA 1.398 62.648 61.300 -0.082 0.000 1.404 140 I CB -0.316 37.678 38.000 -0.011 0.000 1.071 140 I HN 0.409 nan 8.210 nan 0.000 0.419 141 S N 0.414 116.015 115.700 -0.165 0.000 2.368 141 S HA -0.157 4.314 4.470 0.002 0.000 0.224 141 S C 2.079 176.501 174.600 -0.295 0.000 1.029 141 S CA 2.139 60.211 58.200 -0.215 0.000 0.988 141 S CB -0.296 62.740 63.200 -0.274 0.000 0.838 141 S HN 0.414 nan 8.310 nan 0.000 0.462 142 T N 2.057 116.310 114.554 -0.502 0.000 2.821 142 T HA 0.091 4.442 4.350 0.002 0.000 0.267 142 T C 2.090 176.637 174.700 -0.256 0.000 1.046 142 T CA 1.156 62.960 62.100 -0.494 0.000 1.139 142 T CB -0.677 67.644 68.868 -0.911 0.000 0.871 142 T HN 0.510 nan 8.240 nan 0.000 0.454 143 A N 1.613 124.303 122.820 -0.216 0.000 1.908 143 A HA 0.079 4.400 4.320 0.002 0.000 0.218 143 A C 2.637 180.200 177.584 -0.034 0.000 1.181 143 A CA 1.900 53.875 52.037 -0.103 0.000 0.627 143 A CB -1.090 17.855 19.000 -0.091 0.000 0.818 143 A HN 0.516 nan 8.150 nan 0.000 0.445 144 A N -0.788 122.005 122.820 -0.046 0.000 1.930 144 A HA -0.080 4.241 4.320 0.002 0.000 0.217 144 A C 2.256 179.888 177.584 0.081 0.000 1.175 144 A CA 1.760 53.807 52.037 0.017 0.000 0.627 144 A CB -0.514 18.472 19.000 -0.023 0.000 0.815 144 A HN 0.642 nan 8.150 nan 0.000 0.443 145 M N -0.372 119.240 119.600 0.021 0.000 2.117 145 M HA -0.103 4.378 4.480 0.002 0.000 0.262 145 M C 1.818 178.169 176.300 0.085 0.000 1.065 145 M CA 1.630 56.974 55.300 0.072 0.000 1.114 145 M CB -0.309 32.306 32.600 0.025 0.000 1.361 145 M HN 0.407 nan 8.290 nan 0.000 0.408 146 L N -0.799 120.456 121.223 0.053 0.000 2.042 146 L HA -0.243 4.098 4.340 0.002 0.000 0.210 146 L C 2.570 179.505 176.870 0.108 0.000 1.076 146 L CA 1.587 56.468 54.840 0.068 0.000 0.749 146 L CB -1.078 41.005 42.059 0.039 0.000 0.893 146 L HN 0.393 nan 8.230 nan 0.000 0.432 147 Y N 0.720 121.026 120.300 0.010 0.000 2.181 147 Y HA -0.237 4.314 4.550 0.001 0.000 0.288 147 Y C 2.389 178.324 175.900 0.059 0.000 1.146 147 Y CA 1.489 59.595 58.100 0.010 0.000 1.164 147 Y CB -0.075 38.367 38.460 -0.030 0.000 0.982 147 Y HN 0.008 nan 8.280 nan 0.000 0.515 148 I N -0.206 120.420 120.570 0.093 0.000 2.202 148 I HA -0.321 3.850 4.170 0.002 0.000 0.242 148 I C 2.127 178.163 176.117 -0.135 0.000 1.091 148 I CA 1.322 62.613 61.300 -0.015 0.000 1.368 148 I CB -0.420 37.635 38.000 0.091 0.000 1.058 148 I HN 0.238 nan 8.210 nan 0.000 0.410 149 L N -0.719 120.465 121.223 -0.065 0.000 2.275 149 L HA -0.214 4.127 4.340 0.002 0.000 0.215 149 L C 2.564 179.428 176.870 -0.010 0.000 1.119 149 L CA 1.061 55.845 54.840 -0.094 0.000 0.790 149 L CB -0.750 41.277 42.059 -0.052 0.000 0.919 149 L HN 0.284 nan 8.230 nan 0.000 0.443 150 Y N 1.089 121.342 120.300 -0.079 0.000 2.133 150 Y HA -0.224 4.326 4.550 0.001 0.000 0.287 150 Y C 2.599 178.534 175.900 0.058 0.000 1.134 150 Y CA 2.016 60.151 58.100 0.058 0.000 1.133 150 Y CB -0.149 38.271 38.460 -0.066 0.000 0.987 150 Y HN 0.002 nan 8.280 nan 0.000 0.502 151 V N -0.628 119.281 119.914 -0.008 0.000 2.515 151 V HA -0.211 3.910 4.120 0.002 0.000 0.250 151 V C 2.026 177.966 176.094 -0.257 0.000 1.058 151 V CA 1.872 64.108 62.300 -0.107 0.000 1.064 151 V CB -0.899 30.793 31.823 -0.219 0.000 0.675 151 V HN 0.496 nan 8.190 nan 0.000 0.461 152 L N -1.631 119.381 121.223 -0.351 0.000 2.083 152 L HA -0.046 4.295 4.340 0.002 0.000 0.209 152 L C 2.365 179.230 176.870 -0.008 0.000 1.083 152 L CA 2.167 56.801 54.840 -0.344 0.000 0.752 152 L CB -0.473 41.393 42.059 -0.322 0.000 0.899 152 L HN 0.442 nan 8.230 nan 0.000 0.433 153 F N 0.208 120.015 119.950 -0.237 0.000 2.090 153 F HA -0.021 4.508 4.527 0.002 0.000 0.281 153 F C 0.890 176.469 175.800 -0.369 0.000 1.157 153 F CA 0.564 58.330 58.000 -0.391 0.000 1.130 153 F CB -0.201 38.373 39.000 -0.710 0.000 1.034 153 F HN -0.203 nan 8.300 nan 0.000 0.491 154 F N 0.929 120.820 119.950 -0.099 0.000 2.626 154 F HA 0.440 4.968 4.527 0.001 0.000 0.353 154 F C 0.922 176.636 175.800 -0.143 0.000 1.230 154 F CA 0.377 58.258 58.000 -0.197 0.000 1.298 154 F CB -0.190 38.627 39.000 -0.305 0.000 1.670 154 F HN 0.260 nan 8.300 nan 0.000 0.633 155 G N -0.232 108.621 108.800 0.089 0.000 4.309 155 G HA2 -0.113 3.848 3.960 0.002 0.000 0.201 155 G HA3 -0.113 3.848 3.960 0.002 0.000 0.201 155 G C 0.730 175.772 174.900 0.236 0.000 1.024 155 G CA -0.119 45.076 45.100 0.158 0.000 1.007 155 G HN 0.184 nan 8.290 nan 0.000 0.348 156 F N 2.732 122.631 119.950 -0.085 0.000 2.234 156 F HA 0.165 4.693 4.527 0.002 0.000 0.296 156 F C 2.939 178.469 175.800 -0.450 0.000 1.089 156 F CA 1.787 59.635 58.000 -0.254 0.000 1.343 156 F CB -0.895 38.025 39.000 -0.134 0.000 1.040 156 F HN 0.126 nan 8.300 nan 0.000 0.498 157 T N -1.059 113.515 114.554 0.034 0.000 2.665 157 T HA -0.246 4.105 4.350 0.002 0.000 0.268 157 T C 2.373 177.000 174.700 -0.120 0.000 1.035 157 T CA 1.874 63.978 62.100 0.008 0.000 1.151 157 T CB -0.593 68.183 68.868 -0.153 0.000 0.862 157 T HN 0.224 nan 8.240 nan 0.000 0.438 158 S N 0.419 116.064 115.700 -0.091 0.000 2.368 158 S HA -0.106 4.365 4.470 0.002 0.000 0.225 158 S C 2.030 176.559 174.600 -0.119 0.000 1.030 158 S CA 1.506 59.660 58.200 -0.076 0.000 0.999 158 S CB -0.234 62.951 63.200 -0.026 0.000 0.844 158 S HN 0.436 nan 8.310 nan 0.000 0.459 159 K N 0.226 120.523 120.400 -0.171 0.000 2.365 159 K HA 0.155 4.476 4.320 0.002 0.000 0.199 159 K C 1.864 178.295 176.600 -0.281 0.000 1.045 159 K CA 0.809 56.963 56.287 -0.223 0.000 0.962 159 K CB -0.267 32.057 32.500 -0.293 0.000 0.759 159 K HN 0.413 nan 8.250 nan 0.000 0.469 160 A N 0.476 123.091 122.820 -0.343 0.000 1.898 160 A HA -0.075 4.246 4.320 0.002 0.000 0.214 160 A C 1.760 179.248 177.584 -0.160 0.000 1.183 160 A CA 1.136 52.977 52.037 -0.327 0.000 0.622 160 A CB -0.279 18.473 19.000 -0.413 0.000 0.824 160 A HN 0.260 nan 8.150 nan 0.000 0.444 161 E N 0.439 120.568 120.200 -0.119 0.000 2.401 161 E HA -0.095 4.256 4.350 0.002 0.000 0.199 161 E C 1.570 178.129 176.600 -0.068 0.000 1.023 161 E CA 1.040 57.396 56.400 -0.074 0.000 0.859 161 E CB -0.139 29.525 29.700 -0.059 0.000 0.780 161 E HN 0.658 nan 8.360 nan 0.000 0.523 162 S N -0.698 114.951 115.700 -0.085 0.000 2.573 162 S HA 0.233 4.704 4.470 0.002 0.000 0.244 162 S C 0.404 174.961 174.600 -0.070 0.000 0.984 162 S CA -0.504 57.654 58.200 -0.069 0.000 1.001 162 S CB 0.031 63.189 63.200 -0.070 0.000 0.788 162 S HN -0.075 nan 8.310 nan 0.000 0.456 163 M N 1.226 120.782 119.600 -0.073 0.000 2.755 163 M HA 0.470 4.951 4.480 0.002 0.000 0.298 163 M C 0.093 176.366 176.300 -0.044 0.000 1.251 163 M CA -0.717 54.545 55.300 -0.063 0.000 0.817 163 M CB 1.564 34.114 32.600 -0.083 0.000 1.760 163 M HN 0.302 nan 8.290 nan 0.000 0.473 164 R N 2.634 123.114 120.500 -0.033 0.000 2.638 164 R HA 0.030 4.371 4.340 0.002 0.000 0.268 164 R C -1.592 174.693 176.300 -0.025 0.000 1.006 164 R CA -0.468 55.618 56.100 -0.024 0.000 1.088 164 R CB 0.382 30.673 30.300 -0.014 0.000 0.950 164 R HN 0.286 nan 8.270 nan 0.000 0.419 165 P HA -0.225 nan 4.420 nan 0.000 0.216 165 P C 0.066 177.355 177.300 -0.019 0.000 1.150 165 P CA 1.651 64.739 63.100 -0.020 0.000 0.843 165 P CB 0.031 31.720 31.700 -0.017 0.000 0.787 166 E N -0.292 119.897 120.200 -0.018 0.000 2.118 166 E HA -0.109 4.242 4.350 0.002 0.000 0.195 166 E C 2.140 178.722 176.600 -0.031 0.000 0.992 166 E CA 1.069 57.456 56.400 -0.021 0.000 0.804 166 E CB -0.491 29.201 29.700 -0.014 0.000 0.741 166 E HN 0.146 nan 8.360 nan 0.000 0.458 167 V N 1.251 121.147 119.914 -0.031 0.000 2.407 167 V HA -0.176 3.945 4.120 0.002 0.000 0.245 167 V C 2.353 178.446 176.094 -0.003 0.000 1.041 167 V CA 1.574 63.853 62.300 -0.036 0.000 1.040 167 V CB -0.596 31.200 31.823 -0.044 0.000 0.671 167 V HN 0.292 nan 8.190 nan 0.000 0.455 168 A N 0.947 123.762 122.820 -0.008 0.000 1.940 168 A HA -0.232 4.088 4.320 0.002 0.000 0.219 168 A C 2.514 180.135 177.584 0.061 0.000 1.176 168 A CA 2.540 54.588 52.037 0.017 0.000 0.631 168 A CB -0.667 18.325 19.000 -0.012 0.000 0.814 168 A HN 0.684 nan 8.150 nan 0.000 0.446 169 S N -1.478 114.232 115.700 0.016 0.000 2.377 169 S HA -0.097 4.374 4.470 0.002 0.000 0.223 169 S C 1.844 176.427 174.600 -0.028 0.000 1.030 169 S CA 1.526 59.722 58.200 -0.007 0.000 0.970 169 S CB -1.041 62.145 63.200 -0.023 0.000 0.830 169 S HN 0.455 nan 8.310 nan 0.000 0.473 170 T N 2.085 116.618 114.554 -0.034 0.000 2.788 170 T HA 0.002 4.353 4.350 0.002 0.000 0.268 170 T C 1.293 175.941 174.700 -0.087 0.000 1.044 170 T CA 1.439 63.488 62.100 -0.085 0.000 1.139 170 T CB -0.577 68.220 68.868 -0.120 0.000 0.867 170 T HN 0.474 nan 8.240 nan 0.000 0.454 171 F N 2.430 122.307 119.950 -0.122 0.000 2.134 171 F HA -0.070 4.458 4.527 0.002 0.000 0.299 171 F C 2.143 177.887 175.800 -0.092 0.000 1.097 171 F CA 1.187 59.130 58.000 -0.095 0.000 1.264 171 F CB -0.196 38.762 39.000 -0.070 0.000 1.001 171 F HN -0.152 nan 8.300 nan 0.000 0.479 172 K N 0.597 120.905 120.400 -0.153 0.000 2.020 172 K HA -0.167 4.154 4.320 0.002 0.000 0.212 172 K C 2.210 178.638 176.600 -0.287 0.000 1.050 172 K CA 1.811 57.957 56.287 -0.236 0.000 0.929 172 K CB -1.130 31.319 32.500 -0.085 0.000 0.714 172 K HN 0.290 nan 8.250 nan 0.000 0.443 173 V N 2.077 121.866 119.914 -0.207 0.000 2.261 173 V HA -0.246 3.875 4.120 0.002 0.000 0.246 173 V C 2.552 178.512 176.094 -0.223 0.000 1.047 173 V CA 1.606 63.800 62.300 -0.177 0.000 1.015 173 V CB -0.525 31.214 31.823 -0.139 0.000 0.642 173 V HN 0.217 nan 8.190 nan 0.000 0.446 174 L N -0.285 120.755 121.223 -0.305 0.000 2.012 174 L HA -0.217 4.124 4.340 0.002 0.000 0.210 174 L C 2.775 179.490 176.870 -0.259 0.000 1.073 174 L CA 2.095 56.751 54.840 -0.308 0.000 0.748 174 L CB -0.777 41.034 42.059 -0.414 0.000 0.891 174 L HN 0.314 nan 8.230 nan 0.000 0.431 175 R N 0.650 120.821 120.500 -0.547 0.000 2.112 175 R HA -0.223 4.118 4.340 0.002 0.000 0.242 175 R C 2.105 178.257 176.300 -0.248 0.000 1.137 175 R CA 2.256 58.023 56.100 -0.554 0.000 0.944 175 R CB -0.252 29.490 30.300 -0.930 0.000 0.857 175 R HN 0.407 nan 8.270 nan 0.000 0.435 176 N N 0.147 118.733 118.700 -0.191 0.000 2.120 176 N HA -0.135 4.606 4.740 0.002 0.000 0.188 176 N C 1.838 177.322 175.510 -0.042 0.000 1.024 176 N CA 1.428 54.434 53.050 -0.074 0.000 0.852 176 N CB -0.448 38.002 38.487 -0.061 0.000 1.003 176 N HN 0.087 nan 8.380 nan 0.000 0.424 177 V N 1.065 120.961 119.914 -0.031 0.000 2.343 177 V HA -0.209 3.912 4.120 0.002 0.000 0.247 177 V C 2.637 178.789 176.094 0.097 0.000 1.051 177 V CA 2.193 64.525 62.300 0.054 0.000 1.036 177 V CB -1.045 30.834 31.823 0.094 0.000 0.654 177 V HN 0.569 nan 8.190 nan 0.000 0.451 178 T N -2.121 112.447 114.554 0.023 0.000 2.896 178 T HA -0.095 4.256 4.350 0.002 0.000 0.263 178 T C 1.813 176.385 174.700 -0.213 0.000 1.050 178 T CA 1.560 63.576 62.100 -0.140 0.000 1.140 178 T CB -0.251 68.312 68.868 -0.510 0.000 0.877 178 T HN 0.210 nan 8.240 nan 0.000 0.457 179 V N 1.328 121.138 119.914 -0.174 0.000 2.427 179 V HA -0.086 4.035 4.120 0.002 0.000 0.248 179 V C 2.915 179.014 176.094 0.009 0.000 1.051 179 V CA 1.350 63.583 62.300 -0.111 0.000 1.048 179 V CB -0.673 31.079 31.823 -0.118 0.000 0.666 179 V HN 0.394 nan 8.190 nan 0.000 0.456 180 V N -0.342 119.589 119.914 0.028 0.000 2.283 180 V HA -0.193 3.928 4.120 0.002 0.000 0.243 180 V C 2.281 178.458 176.094 0.138 0.000 1.039 180 V CA 1.867 64.204 62.300 0.061 0.000 1.016 180 V CB -0.395 31.451 31.823 0.038 0.000 0.650 180 V HN 0.405 nan 8.190 nan 0.000 0.449 181 L N -1.710 119.633 121.223 0.200 0.000 1.994 181 L HA -0.202 4.139 4.340 0.002 0.000 0.208 181 L C 2.508 179.645 176.870 0.445 0.000 1.071 181 L CA 1.967 56.982 54.840 0.290 0.000 0.745 181 L CB -0.717 41.551 42.059 0.349 0.000 0.892 181 L HN 0.387 nan 8.230 nan 0.000 0.431 182 W N 0.778 122.157 121.300 0.132 0.000 2.321 182 W HA -0.233 4.428 4.660 0.001 0.000 0.306 182 W C 2.997 179.609 176.519 0.155 0.000 1.217 182 W CA 1.618 59.020 57.345 0.094 0.000 1.257 182 W CB -1.225 28.195 29.460 -0.067 0.000 1.145 182 W HN 0.262 nan 8.180 nan 0.000 0.509 183 S N -0.710 115.183 115.700 0.322 0.000 2.603 183 S HA 0.171 4.642 4.470 0.002 0.000 0.229 183 S C 1.708 176.428 174.600 0.201 0.000 0.972 183 S CA 0.704 59.030 58.200 0.210 0.000 0.935 183 S CB -0.547 62.732 63.200 0.131 0.000 0.769 183 S HN 0.158 nan 8.310 nan 0.000 0.536 184 A N 0.356 123.302 122.820 0.210 0.000 2.081 184 A HA 0.264 4.585 4.320 0.002 0.000 0.214 184 A C 1.671 179.316 177.584 0.102 0.000 1.158 184 A CA 0.224 52.322 52.037 0.103 0.000 0.724 184 A CB -0.681 18.319 19.000 -0.001 0.000 0.826 184 A HN 0.492 nan 8.150 nan 0.000 0.463 185 Y N 0.925 121.302 120.300 0.129 0.000 2.145 185 Y HA -0.108 4.444 4.550 0.002 0.000 0.286 185 Y C -0.101 176.013 175.900 0.357 0.000 1.145 185 Y CA 2.051 60.294 58.100 0.238 0.000 1.148 185 Y CB -1.191 37.236 38.460 -0.054 0.000 0.981 185 Y HN 0.332 nan 8.280 nan 0.000 0.507 186 P HA -0.083 nan 4.420 nan 0.000 0.223 186 P C 1.582 179.335 177.300 0.754 0.000 1.151 186 P CA 1.268 64.697 63.100 0.550 0.000 0.787 186 P CB 0.163 31.982 31.700 0.198 0.000 0.788 187 V N 0.164 120.352 119.914 0.456 0.000 2.302 187 V HA -0.141 3.980 4.120 0.002 0.000 0.243 187 V C 2.808 179.044 176.094 0.236 0.000 1.036 187 V CA 1.363 63.857 62.300 0.323 0.000 1.020 187 V CB -0.973 30.968 31.823 0.196 0.000 0.657 187 V HN -0.091 nan 8.190 nan 0.000 0.453 188 V N -1.057 118.939 119.914 0.137 0.000 2.332 188 V HA -0.322 3.798 4.120 0.002 0.000 0.248 188 V C 2.007 178.163 176.094 0.103 0.000 1.055 188 V CA 2.538 64.805 62.300 -0.055 0.000 1.038 188 V CB -0.758 30.797 31.823 -0.447 0.000 0.651 188 V HN 0.781 nan 8.190 nan 0.000 0.450 189 W N 0.129 121.547 121.300 0.198 0.000 2.335 189 W HA -0.249 4.412 4.660 0.002 0.000 0.311 189 W C 2.284 178.930 176.519 0.212 0.000 1.213 189 W CA 1.951 59.512 57.345 0.359 0.000 1.274 189 W CB -0.305 29.502 29.460 0.577 0.000 1.148 189 W HN 0.190 nan 8.180 nan 0.000 0.498 190 L N 1.388 122.970 121.223 0.598 0.000 2.012 190 L HA -0.195 4.146 4.340 0.002 0.000 0.210 190 L C 2.344 179.286 176.870 0.120 0.000 1.073 190 L CA 2.539 57.533 54.840 0.256 0.000 0.748 190 L CB -1.017 41.034 42.059 -0.013 0.000 0.891 190 L HN 0.313 nan 8.230 nan 0.000 0.431 191 I N -3.447 117.180 120.570 0.095 0.000 3.251 191 I HA 0.266 4.437 4.170 0.002 0.000 0.277 191 I C 1.363 177.496 176.117 0.026 0.000 1.268 191 I CA 0.353 61.683 61.300 0.050 0.000 1.449 191 I CB -1.101 36.917 38.000 0.030 0.000 1.083 191 I HN 0.157 nan 8.210 nan 0.000 0.464 192 G N 1.339 110.140 108.800 0.000 0.000 2.508 192 G HA2 0.163 4.124 3.960 0.002 0.000 0.278 192 G HA3 0.163 4.124 3.960 0.002 0.000 0.278 192 G C 0.975 175.862 174.900 -0.022 0.000 1.389 192 G CA 0.264 45.348 45.100 -0.027 0.000 1.050 192 G HN 0.365 nan 8.290 nan 0.000 0.522 193 S N -1.577 114.124 115.700 0.002 0.000 2.547 193 S HA -0.044 4.427 4.470 0.002 0.000 0.235 193 S C 1.433 176.060 174.600 0.045 0.000 0.980 193 S CA 1.514 59.743 58.200 0.049 0.000 0.941 193 S CB -0.072 63.169 63.200 0.070 0.000 0.763 193 S HN 0.624 nan 8.310 nan 0.000 0.532 194 E N 0.716 120.774 120.200 -0.237 0.000 2.447 194 E HA 0.327 4.677 4.350 0.002 0.000 0.195 194 E C 1.238 177.290 176.600 -0.913 0.000 1.028 194 E CA 0.350 56.388 56.400 -0.604 0.000 0.876 194 E CB 0.416 29.415 29.700 -1.169 0.000 0.885 194 E HN 0.634 nan 8.360 nan 0.000 0.500 195 G N 0.631 109.120 108.800 -0.517 0.000 3.310 195 G HA2 0.508 4.469 3.960 0.002 0.000 0.174 195 G HA3 0.508 4.469 3.960 0.002 0.000 0.174 195 G C -0.859 174.180 174.900 0.231 0.000 1.097 195 G CA -0.263 44.670 45.100 -0.280 0.000 0.795 195 G HN 0.118 nan 8.290 nan 0.000 0.670 196 A N 0.692 123.713 122.820 0.335 0.000 2.541 196 A HA 0.466 4.787 4.320 0.002 0.000 0.293 196 A C 1.484 179.176 177.584 0.179 0.000 1.307 196 A CA 0.612 52.830 52.037 0.301 0.000 0.978 196 A CB -0.665 18.430 19.000 0.158 0.000 1.111 196 A HN 1.554 nan 8.150 nan 0.000 0.535 197 G N 2.512 111.429 108.800 0.195 0.000 3.122 197 G HA2 -0.053 3.908 3.960 0.002 0.000 0.201 197 G HA3 -0.053 3.908 3.960 0.002 0.000 0.201 197 G C 0.955 175.893 174.900 0.063 0.000 1.214 197 G CA 0.663 45.830 45.100 0.111 0.000 1.027 197 G HN 0.801 nan 8.290 nan 0.000 0.499 198 I N -0.664 119.940 120.570 0.057 0.000 2.145 198 I HA -0.156 4.014 4.170 0.002 0.000 0.244 198 I C 1.147 177.277 176.117 0.022 0.000 1.075 198 I CA 0.827 62.147 61.300 0.034 0.000 1.332 198 I CB -0.326 37.691 38.000 0.028 0.000 1.033 198 I HN -0.010 nan 8.210 nan 0.000 0.410 199 V N 2.576 122.501 119.914 0.018 0.000 2.427 199 V HA 0.275 4.396 4.120 0.002 0.000 0.286 199 V C -2.007 174.097 176.094 0.017 0.000 1.034 199 V CA -1.644 60.660 62.300 0.007 0.000 0.893 199 V CB 1.327 33.140 31.823 -0.017 0.000 0.982 199 V HN 0.043 nan 8.190 nan 0.000 0.452 200 P HA 0.078 nan 4.420 nan 0.000 0.275 200 P C 0.689 178.025 177.300 0.059 0.000 1.228 200 P CA -0.352 62.773 63.100 0.042 0.000 0.786 200 P CB 1.208 32.936 31.700 0.047 0.000 0.927 201 L N 3.349 124.621 121.223 0.081 0.000 2.129 201 L HA -0.203 4.137 4.340 0.002 0.000 0.212 201 L C 2.145 179.113 176.870 0.164 0.000 1.087 201 L CA 1.840 56.757 54.840 0.129 0.000 0.757 201 L CB -1.542 40.604 42.059 0.144 0.000 0.896 201 L HN 0.497 nan 8.230 nan 0.000 0.434 202 N N -0.521 118.272 118.700 0.156 0.000 2.069 202 N HA -0.229 4.512 4.740 0.002 0.000 0.191 202 N C 1.750 177.383 175.510 0.206 0.000 1.031 202 N CA 1.890 55.066 53.050 0.210 0.000 0.852 202 N CB 0.046 38.639 38.487 0.177 0.000 1.018 202 N HN 0.355 nan 8.380 nan 0.000 0.423 203 I N 1.482 122.113 120.570 0.101 0.000 2.277 203 I HA -0.130 4.040 4.170 0.002 0.000 0.243 203 I C 2.449 178.531 176.117 -0.058 0.000 1.094 203 I CA 0.875 62.179 61.300 0.008 0.000 1.393 203 I CB -1.532 36.462 38.000 -0.010 0.000 1.078 203 I HN 0.313 nan 8.210 nan 0.000 0.417 204 E N 0.974 121.152 120.200 -0.037 0.000 2.114 204 E HA -0.247 4.104 4.350 0.002 0.000 0.199 204 E C 1.941 178.490 176.600 -0.084 0.000 1.008 204 E CA 2.287 58.613 56.400 -0.124 0.000 0.810 204 E CB 0.143 29.817 29.700 -0.045 0.000 0.739 204 E HN 0.411 nan 8.360 nan 0.000 0.456 205 T N 1.673 116.279 114.554 0.087 0.000 2.915 205 T HA -0.089 4.261 4.350 0.002 0.000 0.269 205 T C 1.721 176.451 174.700 0.050 0.000 1.071 205 T CA 0.584 62.788 62.100 0.174 0.000 1.132 205 T CB -0.062 68.948 68.868 0.236 0.000 0.878 205 T HN 0.194 nan 8.240 nan 0.000 0.479 206 L N 0.671 121.781 121.223 -0.187 0.000 2.072 206 L HA 0.048 4.389 4.340 0.002 0.000 0.205 206 L C 2.141 178.794 176.870 -0.361 0.000 1.079 206 L CA 1.369 55.836 54.840 -0.622 0.000 0.752 206 L CB -0.406 41.093 42.059 -0.934 0.000 0.906 206 L HN 0.314 nan 8.230 nan 0.000 0.436 207 L N -1.108 119.961 121.223 -0.258 0.000 2.005 207 L HA -0.240 4.101 4.340 0.002 0.000 0.207 207 L C 2.590 179.383 176.870 -0.128 0.000 1.072 207 L CA 1.123 55.821 54.840 -0.237 0.000 0.744 207 L CB -0.786 41.087 42.059 -0.309 0.000 0.895 207 L HN 0.130 nan 8.230 nan 0.000 0.433 208 F N -0.419 119.491 119.950 -0.067 0.000 2.202 208 F HA -0.258 4.271 4.527 0.002 0.000 0.301 208 F C 2.575 178.440 175.800 0.108 0.000 1.082 208 F CA 1.199 59.207 58.000 0.013 0.000 1.313 208 F CB -0.546 38.542 39.000 0.147 0.000 1.024 208 F HN 0.076 nan 8.300 nan 0.000 0.495 209 M N -0.589 119.167 119.600 0.261 0.000 2.099 209 M HA -0.156 4.325 4.480 0.002 0.000 0.262 209 M C 2.140 178.485 176.300 0.076 0.000 1.067 209 M CA 1.449 56.864 55.300 0.191 0.000 1.124 209 M CB -0.381 32.252 32.600 0.056 0.000 1.353 209 M HN -0.010 nan 8.290 nan 0.000 0.410 210 V N 0.991 120.892 119.914 -0.022 0.000 2.343 210 V HA -0.282 3.839 4.120 0.002 0.000 0.247 210 V C 2.454 178.569 176.094 0.036 0.000 1.051 210 V CA 1.196 63.474 62.300 -0.035 0.000 1.036 210 V CB -0.856 30.905 31.823 -0.102 0.000 0.654 210 V HN 0.379 nan 8.190 nan 0.000 0.451 211 L N 0.029 121.276 121.223 0.039 0.000 2.017 211 L HA -0.143 4.198 4.340 0.002 0.000 0.208 211 L C 2.208 179.220 176.870 0.237 0.000 1.073 211 L CA 1.877 56.760 54.840 0.072 0.000 0.745 211 L CB -1.341 40.607 42.059 -0.186 0.000 0.894 211 L HN 0.342 nan 8.230 nan 0.000 0.432 212 D N -0.831 119.757 120.400 0.313 0.000 2.087 212 D HA -0.154 4.487 4.640 0.002 0.000 0.192 212 D C 2.379 178.835 176.300 0.261 0.000 0.993 212 D CA 1.334 55.557 54.000 0.373 0.000 0.828 212 D CB -0.391 40.717 40.800 0.515 0.000 0.968 212 D HN 0.086 nan 8.370 nan 0.000 0.448 213 V N 0.915 120.939 119.914 0.183 0.000 2.380 213 V HA -0.254 3.867 4.120 0.002 0.000 0.251 213 V C 2.462 178.654 176.094 0.164 0.000 1.063 213 V CA 1.858 64.239 62.300 0.135 0.000 1.055 213 V CB -0.483 31.374 31.823 0.057 0.000 0.657 213 V HN 0.138 nan 8.190 nan 0.000 0.455 214 S N 0.209 116.005 115.700 0.160 0.000 2.345 214 S HA -0.082 4.389 4.470 0.002 0.000 0.219 214 S C 2.181 176.926 174.600 0.242 0.000 1.031 214 S CA 1.238 59.543 58.200 0.174 0.000 0.984 214 S CB -0.521 62.764 63.200 0.141 0.000 0.874 214 S HN 0.649 nan 8.310 nan 0.000 0.451 215 A N 1.038 124.009 122.820 0.251 0.000 2.125 215 A HA -0.086 4.235 4.320 0.002 0.000 0.219 215 A C 1.893 179.594 177.584 0.195 0.000 1.156 215 A CA 1.410 53.602 52.037 0.258 0.000 0.671 215 A CB -0.196 18.942 19.000 0.230 0.000 0.794 215 A HN 0.478 nan 8.150 nan 0.000 0.459 216 K N -1.810 118.733 120.400 0.237 0.000 2.363 216 K HA 0.181 4.502 4.320 0.002 0.000 0.215 216 K C 1.674 178.504 176.600 0.383 0.000 1.179 216 K CA 0.738 57.175 56.287 0.250 0.000 0.856 216 K CB -0.037 32.605 32.500 0.236 0.000 1.371 216 K HN 0.116 nan 8.250 nan 0.000 0.455 217 V N 1.364 121.495 119.914 0.362 0.000 2.379 217 V HA -0.109 4.012 4.120 0.002 0.000 0.245 217 V C 2.274 178.609 176.094 0.402 0.000 1.044 217 V CA 2.235 64.794 62.300 0.432 0.000 1.036 217 V CB -1.035 30.927 31.823 0.232 0.000 0.664 217 V HN 0.531 nan 8.190 nan 0.000 0.453 218 G N -0.325 108.649 108.800 0.289 0.000 2.433 218 G HA2 -0.319 3.642 3.960 0.002 0.000 0.216 218 G HA3 -0.319 3.642 3.960 0.002 0.000 0.216 218 G C 1.567 176.619 174.900 0.254 0.000 1.186 218 G CA 1.129 46.366 45.100 0.229 0.000 0.779 218 G HN 0.454 nan 8.290 nan 0.000 0.543 219 F N 2.404 122.433 119.950 0.132 0.000 2.065 219 F HA -0.050 4.477 4.527 0.001 0.000 0.298 219 F C 2.632 178.465 175.800 0.056 0.000 1.112 219 F CA 2.059 60.113 58.000 0.089 0.000 1.212 219 F CB -0.634 38.434 39.000 0.114 0.000 0.975 219 F HN 0.125 nan 8.300 nan 0.000 0.476 220 G N 0.760 109.813 108.800 0.422 0.000 2.469 220 G HA2 -0.260 3.701 3.960 0.002 0.000 0.219 220 G HA3 -0.260 3.701 3.960 0.002 0.000 0.219 220 G C 1.816 176.697 174.900 -0.031 0.000 1.150 220 G CA 1.215 46.359 45.100 0.073 0.000 0.763 220 G HN 0.466 nan 8.290 nan 0.000 0.561 221 L N 0.125 121.502 121.223 0.258 0.000 2.017 221 L HA -0.058 4.283 4.340 0.002 0.000 0.208 221 L C 2.921 179.825 176.870 0.057 0.000 1.073 221 L CA 0.894 55.895 54.840 0.267 0.000 0.745 221 L CB -0.370 41.852 42.059 0.271 0.000 0.894 221 L HN 0.220 nan 8.230 nan 0.000 0.432 222 I N -0.632 119.919 120.570 -0.032 0.000 2.208 222 I HA -0.334 3.837 4.170 0.002 0.000 0.245 222 I C 2.490 178.485 176.117 -0.203 0.000 1.097 222 I CA 1.230 62.457 61.300 -0.121 0.000 1.363 222 I CB -0.299 37.591 38.000 -0.183 0.000 1.051 222 I HN 0.261 nan 8.210 nan 0.000 0.413 223 L N 0.979 122.014 121.223 -0.313 0.000 1.982 223 L HA -0.123 4.218 4.340 0.002 0.000 0.206 223 L C 2.314 178.979 176.870 -0.340 0.000 1.078 223 L CA 1.751 56.368 54.840 -0.372 0.000 0.749 223 L CB -0.625 41.169 42.059 -0.441 0.000 0.894 223 L HN 0.076 nan 8.230 nan 0.000 0.436 224 L N -0.293 120.717 121.223 -0.354 0.000 2.263 224 L HA -0.188 4.153 4.340 0.002 0.000 0.216 224 L C 1.668 178.442 176.870 -0.160 0.000 1.111 224 L CA 1.032 55.629 54.840 -0.405 0.000 0.773 224 L CB -0.605 41.177 42.059 -0.461 0.000 0.906 224 L HN 0.328 nan 8.230 nan 0.000 0.439 225 R N 0.053 120.521 120.500 -0.053 0.000 2.721 225 R HA 0.116 4.457 4.340 0.002 0.000 0.296 225 R C 0.155 176.456 176.300 0.002 0.000 1.174 225 R CA -0.076 56.047 56.100 0.039 0.000 1.129 225 R CB 0.163 30.525 30.300 0.103 0.000 1.316 225 R HN 0.287 nan 8.270 nan 0.000 0.571 226 S N -2.141 113.527 115.700 -0.054 0.000 2.661 226 S HA 0.520 4.991 4.470 0.002 0.000 0.285 226 S C 0.562 175.159 174.600 -0.005 0.000 1.138 226 S CA -0.867 57.308 58.200 -0.042 0.000 0.855 226 S CB 1.877 65.016 63.200 -0.101 0.000 1.136 226 S HN 0.222 nan 8.310 nan 0.000 0.484 227 R N -0.347 120.190 120.500 0.061 0.000 2.334 227 R HA 0.682 5.023 4.340 0.002 0.000 0.220 227 R C 1.895 178.257 176.300 0.104 0.000 0.917 227 R CA 0.886 57.122 56.100 0.227 0.000 1.073 227 R CB -1.594 28.811 30.300 0.175 0.000 1.056 227 R HN 1.125 nan 8.270 nan 0.000 0.506 228 A N 1.540 124.307 122.820 -0.089 0.000 2.015 228 A HA 0.006 4.327 4.320 0.002 0.000 0.219 228 A C 2.119 179.484 177.584 -0.365 0.000 1.163 228 A CA 1.306 53.238 52.037 -0.176 0.000 0.646 228 A CB -0.488 18.388 19.000 -0.207 0.000 0.806 228 A HN 0.805 nan 8.150 nan 0.000 0.448 229 I N -4.516 115.701 120.570 -0.589 0.000 3.444 229 I HA 0.178 4.349 4.170 0.002 0.000 0.287 229 I C 0.271 176.042 176.117 -0.575 0.000 1.302 229 I CA -0.054 60.638 61.300 -1.014 0.000 1.368 229 I CB -0.332 37.012 38.000 -1.092 0.000 1.048 229 I HN 0.037 nan 8.210 nan 0.000 0.487 230 F N 0.000 119.884 119.950 -0.110 0.000 2.286 230 F HA 0.000 4.528 4.527 0.002 0.000 0.279 230 F CA 0.000 58.002 58.000 0.003 0.000 1.383 230 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 230 F HN 0.000 nan 8.300 nan 0.000 0.574