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 1khv_1_A DATA FIRST_RESID 5 DATA SEQUENCE FCGEPIDYRG ITAHRLVGAE PRPPVSGTRY AKVPGVPDEY KTGYRPANLG DATA SEQUENCE RSDPDSDKSL MNIAVKNLQV YQQEPKLDKV DEFIERAAAD VLGYLRFLTK DATA SEQUENCE GERQANLNFK AAFNTLDLST SCGPFVPGKK IDHVKDGVMD QVLAKHLYKC DATA SEQUENCE WSVANSGKAL HHIYACGLKD ELRPLDXXXX GKKRLLWGCD VGVAVCAAAV DATA SEQUENCE FHNICYKLKM VARFGPIAVG VDMTSRDVDV IINNLTSKAS DFLCLDYSKW DATA SEQUENCE DSTMSPCVVR LAIDILADCC EQTELTKSVV LTLKSHPMTI LDAMIVQTKR DATA SEQUENCE GLPSGMPFTS VINSICHWLL WSAAVYKSCA EIGLHCSNLY EDAPFYTYGD DATA SEQUENCE DGVYAMTPMM VSLLPAIIEN LRDYGLSPTA ADKTEFIDVC PLNKISFLKR DATA SEQUENCE TFELTDIGWV SKLDKSSILR QLEWSKTTSR HMVIEETYDL AKEERGVQLE DATA SEQUENCE ELQVAAAAHG QEFFNFVCRE LERQQAYTQF SVYSYDAARK ILADRKR 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.798 175.800 -0.003 0.000 0.967 5 F CA 0.000 57.993 58.000 -0.011 0.000 1.383 5 F CB 0.000 39.007 39.000 0.012 0.000 1.145 6 C N 1.524 120.902 119.300 0.130 0.000 2.281 6 C HA 0.815 5.274 4.460 -0.001 0.000 0.323 6 C C 1.583 176.627 174.990 0.089 0.000 1.270 6 C CA -0.031 59.013 59.018 0.044 0.000 1.559 6 C CB 0.423 28.007 27.740 -0.259 0.000 2.239 6 C HN 0.863 nan 8.230 nan 0.000 0.488 7 G N 2.120 111.014 108.800 0.156 0.000 3.078 7 G HA2 0.146 4.106 3.960 -0.001 0.000 0.163 7 G HA3 0.146 4.106 3.960 -0.001 0.000 0.163 7 G C 0.076 175.113 174.900 0.229 0.000 1.894 7 G CA 0.089 45.281 45.100 0.153 0.000 0.951 7 G HN 0.673 nan 8.290 nan 0.000 0.446 8 E N 1.450 121.742 120.200 0.153 0.000 2.331 8 E HA 0.276 4.625 4.350 -0.001 0.000 0.272 8 E C -2.254 174.361 176.600 0.024 0.000 1.036 8 E CA -1.722 54.737 56.400 0.098 0.000 0.864 8 E CB 1.301 31.030 29.700 0.048 0.000 1.035 8 E HN 0.031 nan 8.360 nan 0.000 0.408 9 P HA 0.164 nan 4.420 nan 0.000 0.276 9 P C -0.209 176.969 177.300 -0.204 0.000 1.235 9 P CA 0.134 62.974 63.100 -0.434 0.000 0.772 9 P CB 0.404 31.899 31.700 -0.341 0.000 0.871 10 I N 2.597 123.059 120.570 -0.181 0.000 2.532 10 I HA 0.238 4.407 4.170 -0.001 0.000 0.292 10 I C 0.553 176.647 176.117 -0.038 0.000 1.014 10 I CA 0.136 61.400 61.300 -0.061 0.000 1.340 10 I CB 0.727 38.717 38.000 -0.017 0.000 1.422 10 I HN 0.161 nan 8.210 nan 0.000 0.528 11 D N 4.979 125.390 120.400 0.018 0.000 2.408 11 D HA 0.207 4.846 4.640 -0.001 0.000 0.261 11 D C -1.602 174.777 176.300 0.131 0.000 1.190 11 D CA -0.196 53.829 54.000 0.042 0.000 0.910 11 D CB 1.448 42.258 40.800 0.015 0.000 1.097 11 D HN 0.311 nan 8.370 nan 0.000 0.522 12 Y N 2.922 123.210 120.300 -0.021 0.000 2.329 12 Y HA 0.182 4.731 4.550 -0.001 0.000 0.328 12 Y C 0.575 176.471 175.900 -0.006 0.000 0.992 12 Y CA -0.929 57.163 58.100 -0.013 0.000 1.151 12 Y CB 0.655 39.107 38.460 -0.014 0.000 1.150 12 Y HN 0.258 nan 8.280 nan 0.000 0.450 13 R N 3.566 123.811 120.500 -0.426 0.000 3.946 13 R HA -0.224 4.116 4.340 -0.001 0.000 0.329 13 R C 0.821 177.014 176.300 -0.179 0.000 1.209 13 R CA 1.147 57.010 56.100 -0.396 0.000 0.909 13 R CB -2.179 27.737 30.300 -0.640 0.000 1.355 13 R HN 1.636 nan 8.270 nan 0.000 0.539 14 G N 0.457 109.200 108.800 -0.095 0.000 2.165 14 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.226 14 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.226 14 G C 0.138 175.029 174.900 -0.014 0.000 1.035 14 G CA 0.177 45.252 45.100 -0.042 0.000 0.744 14 G HN 0.589 nan 8.290 nan 0.000 0.501 15 I N -2.250 118.321 120.570 0.003 0.000 2.498 15 I HA 0.798 4.967 4.170 -0.001 0.000 0.301 15 I C 0.294 176.435 176.117 0.041 0.000 0.984 15 I CA -1.022 60.299 61.300 0.036 0.000 1.204 15 I CB 1.870 39.905 38.000 0.059 0.000 1.362 15 I HN -0.068 nan 8.210 nan 0.000 0.471 16 T N 4.990 119.577 114.554 0.056 0.000 2.747 16 T HA 0.737 5.086 4.350 -0.001 0.000 0.301 16 T C -0.061 174.703 174.700 0.106 0.000 0.952 16 T CA -0.167 61.973 62.100 0.067 0.000 0.983 16 T CB 0.157 69.079 68.868 0.089 0.000 0.930 16 T HN 0.899 nan 8.240 nan 0.000 0.494 17 A N 3.763 126.626 122.820 0.072 0.000 2.602 17 A HA 0.815 5.134 4.320 -0.001 0.000 0.290 17 A C -1.281 176.329 177.584 0.043 0.000 1.114 17 A CA -0.870 51.252 52.037 0.141 0.000 0.683 17 A CB 1.482 20.532 19.000 0.084 0.000 1.281 17 A HN 0.810 nan 8.150 nan 0.000 0.416 18 H N 0.083 119.176 119.070 0.038 0.000 2.980 18 H HA 0.352 4.907 4.556 -0.001 0.000 0.367 18 H C -0.716 174.628 175.328 0.027 0.000 1.206 18 H CA -0.911 55.161 56.048 0.040 0.000 1.126 18 H CB 1.603 31.398 29.762 0.055 0.000 1.838 18 H HN 0.667 nan 8.280 nan 0.000 0.552 19 R N 1.284 121.867 120.500 0.138 0.000 2.442 19 R HA 0.067 4.406 4.340 -0.001 0.000 0.291 19 R C -0.168 176.186 176.300 0.090 0.000 1.069 19 R CA -0.702 55.445 56.100 0.078 0.000 1.022 19 R CB 0.597 30.930 30.300 0.054 0.000 0.976 19 R HN 0.198 nan 8.270 nan 0.000 0.443 20 L N 4.069 125.321 121.223 0.048 0.000 2.499 20 L HA 0.044 4.383 4.340 -0.001 0.000 0.273 20 L C -0.601 176.308 176.870 0.064 0.000 1.195 20 L CA 0.626 55.489 54.840 0.038 0.000 0.882 20 L CB 0.817 42.859 42.059 -0.029 0.000 1.133 20 L HN 0.297 nan 8.230 nan 0.000 0.483 21 V N 4.417 124.402 119.914 0.119 0.000 2.823 21 V HA 0.664 4.784 4.120 -0.001 0.000 0.312 21 V C 0.814 177.045 176.094 0.227 0.000 1.072 21 V CA 0.048 62.432 62.300 0.139 0.000 0.937 21 V CB 1.478 33.379 31.823 0.130 0.000 1.013 21 V HN 0.915 nan 8.190 nan 0.000 0.430 22 G N 2.763 111.678 108.800 0.193 0.000 2.189 22 G HA2 0.022 3.981 3.960 -0.001 0.000 0.267 22 G HA3 0.022 3.981 3.960 -0.001 0.000 0.267 22 G C 0.189 175.264 174.900 0.292 0.000 0.975 22 G CA 0.558 45.820 45.100 0.270 0.000 0.644 22 G HN 1.829 nan 8.290 nan 0.000 0.537 23 A N -0.808 122.097 122.820 0.142 0.000 2.539 23 A HA 0.733 5.053 4.320 -0.001 0.000 0.296 23 A C -0.241 177.348 177.584 0.008 0.000 1.073 23 A CA -0.494 51.576 52.037 0.054 0.000 0.700 23 A CB 1.302 20.227 19.000 -0.126 0.000 1.296 23 A HN 0.149 nan 8.150 nan 0.000 0.405 24 E N 1.197 121.401 120.200 0.007 0.000 2.383 24 E HA 0.350 4.699 4.350 -0.001 0.000 0.264 24 E C -2.243 174.320 176.600 -0.061 0.000 1.050 24 E CA -1.146 55.244 56.400 -0.016 0.000 0.896 24 E CB 0.546 30.244 29.700 -0.004 0.000 0.982 24 E HN 0.361 nan 8.360 nan 0.000 0.424 25 P HA 0.208 nan 4.420 nan 0.000 0.274 25 P C -0.421 176.826 177.300 -0.090 0.000 1.231 25 P CA -0.258 62.795 63.100 -0.077 0.000 0.790 25 P CB 0.616 32.283 31.700 -0.055 0.000 0.951 26 R N 1.990 122.423 120.500 -0.112 0.000 2.587 26 R HA 0.302 4.642 4.340 -0.001 0.000 0.283 26 R C -2.443 173.801 176.300 -0.094 0.000 1.472 26 R CA -1.910 54.123 56.100 -0.111 0.000 1.578 26 R CB 0.394 30.602 30.300 -0.154 0.000 1.130 26 R HN 0.432 nan 8.270 nan 0.000 0.602 27 P HA 0.046 nan 4.420 nan 0.000 0.263 27 P C -2.178 175.084 177.300 -0.064 0.000 1.195 27 P CA -0.756 62.305 63.100 -0.064 0.000 0.762 27 P CB 0.124 31.793 31.700 -0.050 0.000 0.799 28 P HA 0.073 nan 4.420 nan 0.000 0.274 28 P C -0.358 176.915 177.300 -0.046 0.000 1.231 28 P CA -0.178 62.884 63.100 -0.063 0.000 0.790 28 P CB 0.591 32.249 31.700 -0.070 0.000 0.951 29 V N 2.193 122.083 119.914 -0.040 0.000 2.439 29 V HA 0.044 4.163 4.120 -0.001 0.000 0.271 29 V C 0.959 177.040 176.094 -0.022 0.000 1.040 29 V CA 0.175 62.457 62.300 -0.030 0.000 1.002 29 V CB -0.121 31.686 31.823 -0.028 0.000 1.000 29 V HN 0.564 nan 8.190 nan 0.000 0.477 30 S N 3.813 119.502 115.700 -0.018 0.000 2.614 30 S HA 0.670 5.140 4.470 -0.001 0.000 0.265 30 S C 0.810 175.412 174.600 0.003 0.000 1.303 30 S CA 0.299 58.495 58.200 -0.007 0.000 1.000 30 S CB 1.167 64.363 63.200 -0.007 0.000 0.935 30 S HN 1.654 nan 8.310 nan 0.000 0.551 31 G N 0.366 109.177 108.800 0.019 0.000 2.693 31 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.226 31 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.226 31 G C -0.276 174.659 174.900 0.057 0.000 1.354 31 G CA -0.121 45.005 45.100 0.043 0.000 0.873 31 G HN 1.029 nan 8.290 nan 0.000 0.562 32 T N -1.567 113.049 114.554 0.103 0.000 2.909 32 T HA 0.648 4.998 4.350 -0.001 0.000 0.299 32 T C 1.267 176.068 174.700 0.168 0.000 1.073 32 T CA -0.089 62.087 62.100 0.126 0.000 0.999 32 T CB 1.673 70.633 68.868 0.153 0.000 1.098 32 T HN 0.647 nan 8.240 nan 0.000 0.477 33 R N 1.437 121.970 120.500 0.055 0.000 2.236 33 R HA 0.119 4.458 4.340 -0.001 0.000 0.208 33 R C -0.180 176.132 176.300 0.020 0.000 1.036 33 R CA 0.500 56.602 56.100 0.003 0.000 1.001 33 R CB 0.009 30.191 30.300 -0.197 0.000 0.896 33 R HN 0.530 nan 8.270 nan 0.000 0.464 34 Y N 0.420 120.775 120.300 0.091 0.000 2.359 34 Y HA 0.313 4.863 4.550 -0.001 0.000 0.330 34 Y C 0.446 176.392 175.900 0.077 0.000 1.143 34 Y CA -0.396 57.755 58.100 0.084 0.000 1.318 34 Y CB 0.979 39.383 38.460 -0.093 0.000 1.234 34 Y HN 0.017 nan 8.280 nan 0.000 0.522 35 A N 3.451 126.398 122.820 0.212 0.000 2.539 35 A HA 0.593 4.912 4.320 -0.001 0.000 0.296 35 A C -1.132 176.434 177.584 -0.030 0.000 1.073 35 A CA -1.267 50.699 52.037 -0.118 0.000 0.700 35 A CB 1.318 19.951 19.000 -0.611 0.000 1.296 35 A HN 0.656 nan 8.150 nan 0.000 0.405 36 K N 1.002 121.244 120.400 -0.263 0.000 2.276 36 K HA 0.392 4.711 4.320 -0.001 0.000 0.283 36 K C -0.529 175.828 176.600 -0.405 0.000 1.044 36 K CA -0.368 55.621 56.287 -0.496 0.000 0.944 36 K CB 1.377 33.520 32.500 -0.595 0.000 1.012 36 K HN 0.418 nan 8.250 nan 0.000 0.472 37 V N 6.298 125.959 119.914 -0.421 0.000 2.521 37 V HA 0.057 4.177 4.120 -0.001 0.000 0.286 37 V C -1.727 174.078 176.094 -0.481 0.000 1.034 37 V CA -1.377 60.652 62.300 -0.452 0.000 1.045 37 V CB 0.488 32.059 31.823 -0.419 0.000 0.974 37 V HN 0.703 nan 8.190 nan 0.000 0.480 38 P HA 0.247 nan 4.420 nan 0.000 0.275 38 P C 0.769 177.886 177.300 -0.305 0.000 1.228 38 P CA 0.655 63.508 63.100 -0.412 0.000 0.786 38 P CB 1.053 32.458 31.700 -0.491 0.000 0.927 39 G N 0.987 109.687 108.800 -0.167 0.000 2.148 39 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.254 39 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.254 39 G C 0.020 174.842 174.900 -0.130 0.000 0.981 39 G CA -0.069 44.975 45.100 -0.093 0.000 0.670 39 G HN 0.528 nan 8.290 nan 0.000 0.528 40 V N 2.179 121.977 119.914 -0.193 0.000 2.479 40 V HA 0.301 4.421 4.120 -0.001 0.000 0.281 40 V C -1.028 175.015 176.094 -0.085 0.000 1.031 40 V CA -0.882 61.304 62.300 -0.190 0.000 1.038 40 V CB 0.943 32.620 31.823 -0.243 0.000 0.981 40 V HN 0.190 nan 8.190 nan 0.000 0.478 41 P HA 0.097 nan 4.420 nan 0.000 0.269 41 P C 0.628 177.989 177.300 0.102 0.000 1.209 41 P CA -0.192 62.955 63.100 0.077 0.000 0.776 41 P CB 0.547 32.352 31.700 0.176 0.000 0.876 42 D N 1.307 121.736 120.400 0.049 0.000 2.263 42 D HA -0.170 4.470 4.640 -0.001 0.000 0.208 42 D C 1.342 177.666 176.300 0.040 0.000 0.971 42 D CA 1.175 55.192 54.000 0.029 0.000 0.867 42 D CB 0.090 40.894 40.800 0.007 0.000 0.929 42 D HN 0.469 nan 8.370 nan 0.000 0.492 43 E N -0.294 119.925 120.200 0.032 0.000 2.409 43 E HA -0.131 4.219 4.350 -0.001 0.000 0.198 43 E C 0.835 177.391 176.600 -0.074 0.000 1.024 43 E CA 0.604 56.985 56.400 -0.032 0.000 0.861 43 E CB -0.165 29.496 29.700 -0.065 0.000 0.788 43 E HN 0.444 nan 8.360 nan 0.000 0.521 44 Y N -0.408 119.913 120.300 0.034 0.000 2.458 44 Y HA 0.262 4.812 4.550 -0.001 0.000 0.256 44 Y C 0.326 176.234 175.900 0.012 0.000 1.159 44 Y CA -0.115 57.979 58.100 -0.009 0.000 1.261 44 Y CB 0.439 38.795 38.460 -0.173 0.000 1.119 44 Y HN -0.235 nan 8.280 nan 0.000 0.524 45 K N 0.048 120.520 120.400 0.121 0.000 2.185 45 K HA 0.236 4.556 4.320 -0.001 0.000 0.271 45 K C 0.732 177.389 176.600 0.095 0.000 1.013 45 K CA 0.482 56.819 56.287 0.082 0.000 0.943 45 K CB 0.943 33.458 32.500 0.024 0.000 0.998 45 K HN 0.063 nan 8.250 nan 0.000 0.468 46 T N -2.129 112.500 114.554 0.124 0.000 3.016 46 T HA 0.272 4.622 4.350 -0.001 0.000 0.271 46 T C 1.154 175.837 174.700 -0.027 0.000 0.968 46 T CA 0.025 62.175 62.100 0.084 0.000 0.891 46 T CB 0.778 69.758 68.868 0.187 0.000 1.149 46 T HN 0.814 nan 8.240 nan 0.000 0.524 47 G N 0.979 109.801 108.800 0.037 0.000 2.561 47 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.203 47 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.203 47 G C -0.072 174.842 174.900 0.024 0.000 1.101 47 G CA -0.518 44.562 45.100 -0.033 0.000 0.711 47 G HN 0.481 nan 8.290 nan 0.000 0.511 48 Y N 1.949 122.289 120.300 0.067 0.000 3.073 48 Y HA 0.344 4.893 4.550 -0.001 0.000 0.344 48 Y C 1.497 177.383 175.900 -0.024 0.000 1.277 48 Y CA 1.082 59.167 58.100 -0.024 0.000 1.534 48 Y CB 0.246 38.636 38.460 -0.117 0.000 1.273 48 Y HN 0.397 nan 8.280 nan 0.000 0.633 49 R N 2.796 123.287 120.500 -0.015 0.000 2.771 49 R HA 0.400 4.739 4.340 -0.001 0.000 0.274 49 R C -2.766 173.304 176.300 -0.383 0.000 0.987 49 R CA -2.202 53.808 56.100 -0.150 0.000 0.908 49 R CB 2.196 32.493 30.300 -0.005 0.000 1.213 49 R HN 0.313 nan 8.270 nan 0.000 0.468 50 P HA -0.005 nan 4.420 nan 0.000 0.269 50 P C -0.125 177.065 177.300 -0.184 0.000 1.215 50 P CA 0.235 63.081 63.100 -0.423 0.000 0.780 50 P CB 0.824 32.347 31.700 -0.295 0.000 0.898 51 A N 3.079 125.824 122.820 -0.125 0.000 1.902 51 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 51 A C 1.441 179.011 177.584 -0.024 0.000 1.181 51 A CA 1.419 53.423 52.037 -0.055 0.000 0.623 51 A CB -1.255 17.729 19.000 -0.028 0.000 0.818 51 A HN 0.747 nan 8.150 nan 0.000 0.443 52 N N 0.646 119.339 118.700 -0.011 0.000 3.188 52 N HA 0.344 5.083 4.740 -0.001 0.000 0.279 52 N C 0.710 176.230 175.510 0.017 0.000 1.213 52 N CA -0.252 52.803 53.050 0.009 0.000 1.138 52 N CB -0.092 38.407 38.487 0.020 0.000 1.417 52 N HN 0.381 nan 8.380 nan 0.000 0.526 53 L N 1.616 122.846 121.223 0.012 0.000 2.151 53 L HA -0.218 4.121 4.340 -0.001 0.000 0.215 53 L C 1.711 178.609 176.870 0.045 0.000 1.084 53 L CA 1.348 56.205 54.840 0.028 0.000 0.764 53 L CB -1.141 40.934 42.059 0.026 0.000 0.891 53 L HN 0.737 nan 8.230 nan 0.000 0.435 54 G N 0.522 109.345 108.800 0.038 0.000 2.550 54 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.277 54 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.277 54 G C 0.572 175.496 174.900 0.040 0.000 1.190 54 G CA 0.337 45.462 45.100 0.041 0.000 0.971 54 G HN 0.461 nan 8.290 nan 0.000 0.559 55 R N 0.665 121.191 120.500 0.043 0.000 2.391 55 R HA 0.283 4.622 4.340 -0.001 0.000 0.225 55 R C 1.637 177.962 176.300 0.041 0.000 1.079 55 R CA 1.258 57.381 56.100 0.038 0.000 1.147 55 R CB -0.118 30.203 30.300 0.036 0.000 1.103 55 R HN 0.472 nan 8.270 nan 0.000 0.499 56 S N 0.197 115.925 115.700 0.046 0.000 2.511 56 S HA -0.011 4.458 4.470 -0.001 0.000 0.214 56 S C -0.055 174.568 174.600 0.039 0.000 0.997 56 S CA -0.333 57.896 58.200 0.048 0.000 0.908 56 S CB 0.186 63.425 63.200 0.066 0.000 0.803 56 S HN 0.328 nan 8.310 nan 0.000 0.504 57 D N 2.166 122.586 120.400 0.033 0.000 2.317 57 D HA 0.310 4.950 4.640 -0.001 0.000 0.234 57 D C -1.396 174.918 176.300 0.023 0.000 1.112 57 D CA -2.139 51.877 54.000 0.026 0.000 0.840 57 D CB 1.766 42.580 40.800 0.024 0.000 1.078 57 D HN 0.105 nan 8.370 nan 0.000 0.486 58 P HA -0.101 nan 4.420 nan 0.000 0.226 58 P C -0.027 177.283 177.300 0.017 0.000 1.146 58 P CA 0.407 63.517 63.100 0.018 0.000 0.773 58 P CB 0.304 32.013 31.700 0.015 0.000 0.772 59 D N -0.231 120.180 120.400 0.017 0.000 2.352 59 D HA 0.124 4.764 4.640 -0.001 0.000 0.245 59 D C 1.032 177.343 176.300 0.019 0.000 1.224 59 D CA -0.036 53.973 54.000 0.016 0.000 0.879 59 D CB 0.492 41.301 40.800 0.015 0.000 1.057 59 D HN -0.206 nan 8.370 nan 0.000 0.491 60 S N 2.562 118.274 115.700 0.019 0.000 2.442 60 S HA -0.165 4.304 4.470 -0.001 0.000 0.236 60 S C 1.472 176.086 174.600 0.024 0.000 1.007 60 S CA 0.659 58.872 58.200 0.020 0.000 0.965 60 S CB -0.012 63.199 63.200 0.018 0.000 0.773 60 S HN 0.691 nan 8.310 nan 0.000 0.504 61 D N 1.002 121.417 120.400 0.025 0.000 2.277 61 D HA -0.055 4.584 4.640 -0.001 0.000 0.208 61 D C 1.010 177.330 176.300 0.034 0.000 0.962 61 D CA 0.595 54.615 54.000 0.032 0.000 0.865 61 D CB 0.006 40.824 40.800 0.030 0.000 0.939 61 D HN 0.074 nan 8.370 nan 0.000 0.510 62 K N 1.543 121.959 120.400 0.027 0.000 3.414 62 K HA -0.018 4.301 4.320 -0.001 0.000 0.297 62 K C 0.058 176.675 176.600 0.027 0.000 0.885 62 K CA -0.262 56.041 56.287 0.026 0.000 1.051 62 K CB -0.573 31.940 32.500 0.021 0.000 1.158 62 K HN 0.094 nan 8.250 nan 0.000 0.365 63 S N -1.106 114.613 115.700 0.032 0.000 2.608 63 S HA 0.051 4.521 4.470 -0.001 0.000 0.261 63 S C 1.298 175.913 174.600 0.025 0.000 1.314 63 S CA -0.789 57.427 58.200 0.027 0.000 0.992 63 S CB 0.854 64.071 63.200 0.028 0.000 0.935 63 S HN 0.415 nan 8.310 nan 0.000 0.564 64 L N 0.252 121.484 121.223 0.015 0.000 2.017 64 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 64 L C 2.412 179.287 176.870 0.008 0.000 1.073 64 L CA 1.347 56.191 54.840 0.007 0.000 0.745 64 L CB -0.337 41.719 42.059 -0.004 0.000 0.894 64 L HN 0.678 nan 8.230 nan 0.000 0.432 65 M N -0.360 119.246 119.600 0.009 0.000 2.117 65 M HA -0.229 4.250 4.480 -0.001 0.000 0.262 65 M C 1.914 178.257 176.300 0.072 0.000 1.065 65 M CA 1.875 57.185 55.300 0.016 0.000 1.114 65 M CB -1.709 30.884 32.600 -0.011 0.000 1.361 65 M HN 0.413 nan 8.290 nan 0.000 0.408 66 N N 0.271 119.029 118.700 0.098 0.000 2.188 66 N HA -0.063 4.676 4.740 -0.001 0.000 0.184 66 N C 1.829 177.381 175.510 0.070 0.000 1.018 66 N CA 0.871 53.999 53.050 0.130 0.000 0.858 66 N CB -0.027 38.530 38.487 0.116 0.000 0.989 66 N HN 0.275 nan 8.380 nan 0.000 0.426 67 I N 1.115 121.712 120.570 0.046 0.000 2.252 67 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 67 I C 2.500 178.635 176.117 0.030 0.000 1.102 67 I CA 0.751 62.070 61.300 0.032 0.000 1.385 67 I CB -0.323 37.691 38.000 0.024 0.000 1.064 67 I HN 0.155 nan 8.210 nan 0.000 0.414 68 A N 0.376 123.207 122.820 0.017 0.000 1.902 68 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 68 A C 2.448 180.040 177.584 0.013 0.000 1.181 68 A CA 1.564 53.597 52.037 -0.007 0.000 0.623 68 A CB -0.935 18.038 19.000 -0.046 0.000 0.818 68 A HN 0.224 nan 8.150 nan 0.000 0.443 69 V N 0.432 120.373 119.914 0.045 0.000 2.255 69 V HA -0.296 3.824 4.120 -0.001 0.000 0.247 69 V C 2.587 178.709 176.094 0.047 0.000 1.051 69 V CA 2.431 64.771 62.300 0.066 0.000 1.018 69 V CB -0.621 31.291 31.823 0.149 0.000 0.641 69 V HN 0.663 nan 8.190 nan 0.000 0.445 70 K N 0.025 120.446 120.400 0.035 0.000 2.063 70 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 70 K C 1.959 178.596 176.600 0.060 0.000 1.048 70 K CA 1.916 58.219 56.287 0.028 0.000 0.928 70 K CB -0.261 32.250 32.500 0.018 0.000 0.713 70 K HN 0.520 nan 8.250 nan 0.000 0.442 71 N N 0.688 119.435 118.700 0.078 0.000 2.270 71 N HA -0.110 4.630 4.740 -0.001 0.000 0.181 71 N C 1.913 177.563 175.510 0.233 0.000 1.016 71 N CA 0.770 53.900 53.050 0.134 0.000 0.870 71 N CB -0.009 38.556 38.487 0.130 0.000 0.979 71 N HN 0.202 nan 8.380 nan 0.000 0.431 72 L N 1.558 122.883 121.223 0.169 0.000 2.201 72 L HA -0.118 4.221 4.340 -0.001 0.000 0.212 72 L C 2.404 179.426 176.870 0.253 0.000 1.105 72 L CA 0.770 55.733 54.840 0.205 0.000 0.775 72 L CB -0.240 41.839 42.059 0.034 0.000 0.913 72 L HN 0.128 nan 8.230 nan 0.000 0.440 73 Q N -0.582 119.312 119.800 0.157 0.000 2.170 73 Q HA -0.177 4.163 4.340 -0.001 0.000 0.203 73 Q C 2.338 178.415 176.000 0.127 0.000 0.976 73 Q CA 1.469 57.342 55.803 0.116 0.000 0.858 73 Q CB -0.337 28.435 28.738 0.058 0.000 0.907 73 Q HN 0.417 nan 8.270 nan 0.000 0.433 74 V N 0.288 120.281 119.914 0.131 0.000 2.392 74 V HA -0.270 3.849 4.120 -0.001 0.000 0.249 74 V C 1.625 177.733 176.094 0.022 0.000 1.059 74 V CA 1.813 64.136 62.300 0.038 0.000 1.051 74 V CB -0.817 30.981 31.823 -0.042 0.000 0.658 74 V HN 0.334 nan 8.190 nan 0.000 0.455 75 Y N 0.071 120.425 120.300 0.090 0.000 2.561 75 Y HA -0.019 4.530 4.550 -0.001 0.000 0.291 75 Y C 2.360 178.303 175.900 0.071 0.000 1.141 75 Y CA 0.659 58.817 58.100 0.098 0.000 1.303 75 Y CB -0.267 38.302 38.460 0.182 0.000 1.015 75 Y HN 0.351 nan 8.280 nan 0.000 0.547 76 Q N -0.046 119.872 119.800 0.197 0.000 2.280 76 Q HA 0.070 4.409 4.340 -0.001 0.000 0.201 76 Q C 0.056 176.095 176.000 0.066 0.000 0.890 76 Q CA 0.054 55.928 55.803 0.118 0.000 0.947 76 Q CB 0.372 29.172 28.738 0.103 0.000 1.081 76 Q HN 0.504 nan 8.270 nan 0.000 0.502 77 Q N 0.911 120.743 119.800 0.054 0.000 2.260 77 Q HA 0.177 4.516 4.340 -0.001 0.000 0.238 77 Q C -0.522 175.489 176.000 0.019 0.000 0.948 77 Q CA -0.279 55.540 55.803 0.026 0.000 0.895 77 Q CB 1.034 29.778 28.738 0.011 0.000 1.218 77 Q HN 0.029 nan 8.270 nan 0.000 0.470 78 E N 2.788 122.996 120.200 0.013 0.000 2.413 78 E HA 0.050 4.400 4.350 -0.001 0.000 0.263 78 E C -2.200 174.406 176.600 0.009 0.000 1.015 78 E CA -1.086 55.322 56.400 0.013 0.000 0.916 78 E CB 0.424 30.131 29.700 0.013 0.000 0.947 78 E HN 0.205 nan 8.360 nan 0.000 0.440 79 P HA -0.010 nan 4.420 nan 0.000 0.271 79 P C -0.167 177.135 177.300 0.004 0.000 1.218 79 P CA -0.179 62.923 63.100 0.004 0.000 0.780 79 P CB 1.103 32.816 31.700 0.020 0.000 0.901 80 K N 2.759 123.155 120.400 -0.007 0.000 2.103 80 K HA -0.066 4.253 4.320 -0.001 0.000 0.207 80 K C 0.431 177.045 176.600 0.024 0.000 1.048 80 K CA 1.530 57.820 56.287 0.005 0.000 0.930 80 K CB -0.600 31.900 32.500 0.000 0.000 0.716 80 K HN 0.472 nan 8.250 nan 0.000 0.444 81 L N 0.752 121.991 121.223 0.026 0.000 2.329 81 L HA 0.282 4.622 4.340 -0.001 0.000 0.279 81 L C 0.707 177.596 176.870 0.031 0.000 1.014 81 L CA -0.512 54.353 54.840 0.041 0.000 0.814 81 L CB 1.786 43.876 42.059 0.052 0.000 1.257 81 L HN 0.065 nan 8.230 nan 0.000 0.424 82 D N 1.689 122.110 120.400 0.035 0.000 2.301 82 D HA 0.022 4.662 4.640 -0.001 0.000 0.206 82 D C 0.128 176.445 176.300 0.029 0.000 0.979 82 D CA 0.599 54.620 54.000 0.035 0.000 0.874 82 D CB 0.833 41.653 40.800 0.034 0.000 0.968 82 D HN 0.652 nan 8.370 nan 0.000 0.510 83 K N -0.615 119.802 120.400 0.028 0.000 2.536 83 K HA 0.412 4.731 4.320 -0.001 0.000 0.269 83 K C -0.988 175.625 176.600 0.022 0.000 0.965 83 K CA -0.854 55.444 56.287 0.019 0.000 0.860 83 K CB 2.155 34.664 32.500 0.016 0.000 1.423 83 K HN -0.304 nan 8.250 nan 0.000 0.438 84 V N 2.068 121.984 119.914 0.004 0.000 3.003 84 V HA 0.087 4.206 4.120 -0.001 0.000 0.305 84 V C -0.188 175.916 176.094 0.017 0.000 1.078 84 V CA 0.267 62.564 62.300 -0.005 0.000 1.083 84 V CB 1.207 33.011 31.823 -0.032 0.000 1.039 84 V HN 1.060 nan 8.190 nan 0.000 0.481 85 D N 1.345 121.771 120.400 0.043 0.000 2.588 85 D HA 0.189 4.829 4.640 -0.001 0.000 0.268 85 D C 0.871 177.136 176.300 -0.059 0.000 1.176 85 D CA -0.161 53.860 54.000 0.035 0.000 1.080 85 D CB 0.469 41.364 40.800 0.158 0.000 1.186 85 D HN 0.621 nan 8.370 nan 0.000 0.619 86 E N -0.657 119.405 120.200 -0.229 0.000 2.150 86 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 86 E C 1.571 177.981 176.600 -0.315 0.000 0.985 86 E CA 0.872 57.059 56.400 -0.356 0.000 0.814 86 E CB -0.571 28.809 29.700 -0.532 0.000 0.752 86 E HN 0.362 nan 8.360 nan 0.000 0.466 87 F N 1.445 121.453 119.950 0.096 0.000 2.206 87 F HA 0.052 4.578 4.527 -0.002 0.000 0.298 87 F C 2.273 178.165 175.800 0.153 0.000 1.090 87 F CA 0.624 58.719 58.000 0.159 0.000 1.323 87 F CB -0.371 38.758 39.000 0.216 0.000 1.028 87 F HN -0.039 nan 8.300 nan 0.000 0.492 88 I N 0.020 120.699 120.570 0.182 0.000 2.252 88 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 88 I C 2.241 178.381 176.117 0.039 0.000 1.102 88 I CA 1.413 62.733 61.300 0.033 0.000 1.385 88 I CB -0.491 37.450 38.000 -0.099 0.000 1.064 88 I HN 0.178 nan 8.210 nan 0.000 0.414 89 E N 0.473 120.681 120.200 0.014 0.000 2.118 89 E HA -0.265 4.085 4.350 -0.001 0.000 0.195 89 E C 2.280 178.894 176.600 0.024 0.000 0.992 89 E CA 0.983 57.379 56.400 -0.006 0.000 0.804 89 E CB -0.073 29.603 29.700 -0.040 0.000 0.741 89 E HN 0.310 nan 8.360 nan 0.000 0.458 90 R N 0.308 120.844 120.500 0.060 0.000 2.092 90 R HA -0.092 4.247 4.340 -0.001 0.000 0.231 90 R C 2.156 178.582 176.300 0.209 0.000 1.119 90 R CA 1.168 57.312 56.100 0.074 0.000 0.970 90 R CB -0.112 30.168 30.300 -0.034 0.000 0.864 90 R HN 0.131 nan 8.270 nan 0.000 0.440 91 A N 0.612 123.613 122.820 0.301 0.000 1.930 91 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 91 A C 2.304 179.908 177.584 0.035 0.000 1.175 91 A CA 1.465 53.669 52.037 0.279 0.000 0.627 91 A CB -0.621 18.506 19.000 0.210 0.000 0.815 91 A HN 0.513 nan 8.150 nan 0.000 0.443 92 A N 0.018 122.828 122.820 -0.016 0.000 1.902 92 A HA 0.151 4.470 4.320 -0.001 0.000 0.217 92 A C 2.497 180.031 177.584 -0.083 0.000 1.181 92 A CA 2.034 54.011 52.037 -0.100 0.000 0.623 92 A CB -1.007 17.954 19.000 -0.066 0.000 0.818 92 A HN 1.048 nan 8.150 nan 0.000 0.443 93 A N 0.367 123.182 122.820 -0.007 0.000 1.933 93 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 93 A C 1.712 179.328 177.584 0.054 0.000 1.175 93 A CA 1.918 53.968 52.037 0.021 0.000 0.628 93 A CB -0.608 18.418 19.000 0.043 0.000 0.814 93 A HN 0.509 nan 8.150 nan 0.000 0.444 94 D N 0.079 120.547 120.400 0.113 0.000 2.104 94 D HA -0.126 4.514 4.640 -0.001 0.000 0.194 94 D C 2.095 178.362 176.300 -0.056 0.000 0.994 94 D CA 1.666 55.809 54.000 0.239 0.000 0.830 94 D CB -0.824 40.299 40.800 0.538 0.000 0.959 94 D HN 0.264 nan 8.370 nan 0.000 0.452 95 V N 1.319 120.931 119.914 -0.504 0.000 2.295 95 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 95 V C 2.748 178.666 176.094 -0.294 0.000 1.049 95 V CA 1.169 62.937 62.300 -0.887 0.000 1.024 95 V CB -0.683 30.494 31.823 -1.077 0.000 0.648 95 V HN 0.173 nan 8.190 nan 0.000 0.447 96 L N 0.609 121.730 121.223 -0.170 0.000 2.081 96 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 96 L C 2.615 179.500 176.870 0.024 0.000 1.080 96 L CA 1.851 56.659 54.840 -0.054 0.000 0.754 96 L CB -1.085 40.952 42.059 -0.037 0.000 0.893 96 L HN 0.503 nan 8.230 nan 0.000 0.433 97 G N -1.317 107.528 108.800 0.076 0.000 2.402 97 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.216 97 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.216 97 G C 1.454 176.483 174.900 0.214 0.000 1.162 97 G CA 0.664 45.854 45.100 0.151 0.000 0.777 97 G HN 0.381 nan 8.290 nan 0.000 0.539 98 Y N 1.181 121.551 120.300 0.117 0.000 2.145 98 Y HA -0.061 4.489 4.550 -0.001 0.000 0.286 98 Y C 2.504 178.490 175.900 0.143 0.000 1.145 98 Y CA 1.500 59.705 58.100 0.175 0.000 1.148 98 Y CB -0.244 38.267 38.460 0.085 0.000 0.981 98 Y HN 0.105 nan 8.280 nan 0.000 0.507 99 L N -0.192 121.055 121.223 0.039 0.000 2.056 99 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 99 L C 2.626 179.457 176.870 -0.065 0.000 1.078 99 L CA 1.517 56.329 54.840 -0.047 0.000 0.749 99 L CB -0.496 41.579 42.059 0.027 0.000 0.901 99 L HN 0.126 nan 8.230 nan 0.000 0.433 100 R N -0.909 119.592 120.500 0.001 0.000 2.096 100 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 100 R C 2.238 178.545 176.300 0.013 0.000 1.127 100 R CA 1.523 57.630 56.100 0.011 0.000 0.968 100 R CB -0.377 29.948 30.300 0.043 0.000 0.861 100 R HN 0.189 nan 8.270 nan 0.000 0.440 101 F N 1.153 121.049 119.950 -0.090 0.000 2.146 101 F HA -0.101 4.425 4.527 -0.001 0.000 0.298 101 F C 1.965 177.675 175.800 -0.150 0.000 1.096 101 F CA 1.100 59.042 58.000 -0.096 0.000 1.275 101 F CB -0.164 38.797 39.000 -0.065 0.000 1.008 101 F HN -0.067 nan 8.300 nan 0.000 0.480 102 L N 0.119 121.181 121.223 -0.269 0.000 2.017 102 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 102 L C 2.111 178.819 176.870 -0.269 0.000 1.073 102 L CA 2.248 56.886 54.840 -0.336 0.000 0.745 102 L CB -0.944 40.885 42.059 -0.383 0.000 0.894 102 L HN 0.375 nan 8.230 nan 0.000 0.432 103 T N -3.833 110.607 114.554 -0.192 0.000 3.148 103 T HA 0.014 4.363 4.350 -0.001 0.000 0.253 103 T C 0.827 175.440 174.700 -0.146 0.000 1.134 103 T CA -0.284 61.738 62.100 -0.130 0.000 1.051 103 T CB 0.011 68.834 68.868 -0.074 0.000 0.959 103 T HN 0.205 nan 8.240 nan 0.000 0.525 104 K N 0.776 121.038 120.400 -0.229 0.000 3.016 104 K HA -0.207 4.112 4.320 -0.001 0.000 0.262 104 K C 1.212 177.747 176.600 -0.107 0.000 1.043 104 K CA 0.793 56.952 56.287 -0.213 0.000 0.761 104 K CB -2.469 29.914 32.500 -0.195 0.000 1.230 104 K HN 1.082 nan 8.250 nan 0.000 0.485 105 G N -0.044 108.710 108.800 -0.076 0.000 2.155 105 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.257 105 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.257 105 G C -0.110 174.769 174.900 -0.035 0.000 0.983 105 G CA 0.755 45.832 45.100 -0.038 0.000 0.676 105 G HN 0.539 nan 8.290 nan 0.000 0.528 106 E N 0.083 120.257 120.200 -0.044 0.000 2.175 106 E HA 0.590 4.939 4.350 -0.001 0.000 0.278 106 E C 0.732 177.317 176.600 -0.025 0.000 0.969 106 E CA -1.036 55.345 56.400 -0.032 0.000 0.796 106 E CB 0.647 30.327 29.700 -0.033 0.000 1.104 106 E HN 0.372 nan 8.360 nan 0.000 0.395 107 R N 2.416 122.905 120.500 -0.020 0.000 2.643 107 R HA 0.079 4.419 4.340 -0.001 0.000 0.270 107 R C -0.188 176.105 176.300 -0.011 0.000 1.061 107 R CA -0.122 55.967 56.100 -0.017 0.000 1.107 107 R CB 0.543 30.830 30.300 -0.022 0.000 0.999 107 R HN 0.463 nan 8.270 nan 0.000 0.460 108 Q N 1.318 121.114 119.800 -0.006 0.000 2.243 108 Q HA 0.324 4.663 4.340 -0.001 0.000 0.252 108 Q C -0.308 175.692 176.000 -0.001 0.000 0.909 108 Q CA -0.457 55.351 55.803 0.007 0.000 0.922 108 Q CB 1.754 30.506 28.738 0.023 0.000 1.215 108 Q HN 0.676 nan 8.270 nan 0.000 0.427 109 A N 3.608 126.435 122.820 0.011 0.000 2.462 109 A HA 0.136 4.455 4.320 -0.001 0.000 0.243 109 A C 0.293 177.885 177.584 0.012 0.000 1.076 109 A CA -0.259 51.783 52.037 0.009 0.000 0.773 109 A CB -0.029 18.983 19.000 0.019 0.000 1.010 109 A HN 0.813 nan 8.150 nan 0.000 0.493 110 N N -0.052 118.648 118.700 0.001 0.000 2.415 110 N HA 0.252 4.992 4.740 -0.001 0.000 0.248 110 N C -0.707 174.844 175.510 0.068 0.000 1.271 110 N CA -0.472 52.587 53.050 0.014 0.000 0.913 110 N CB 0.272 38.755 38.487 -0.005 0.000 1.129 110 N HN 0.442 nan 8.380 nan 0.000 0.444 111 L N 2.127 123.418 121.223 0.113 0.000 2.379 111 L HA 0.273 4.612 4.340 -0.001 0.000 0.269 111 L C 0.498 177.504 176.870 0.226 0.000 1.084 111 L CA -0.281 54.634 54.840 0.126 0.000 0.802 111 L CB 0.963 43.083 42.059 0.101 0.000 1.175 111 L HN 0.503 nan 8.230 nan 0.000 0.448 112 N N 0.388 119.202 118.700 0.191 0.000 2.364 112 N HA 0.110 4.849 4.740 -0.001 0.000 0.264 112 N C 0.811 176.415 175.510 0.157 0.000 1.263 112 N CA -0.420 52.806 53.050 0.293 0.000 0.959 112 N CB 0.110 38.719 38.487 0.203 0.000 1.204 112 N HN 0.543 nan 8.380 nan 0.000 0.550 113 F N 1.091 120.925 119.950 -0.194 0.000 2.091 113 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 113 F C 2.246 177.845 175.800 -0.336 0.000 1.103 113 F CA 1.779 59.319 58.000 -0.767 0.000 1.228 113 F CB 0.070 38.429 39.000 -1.068 0.000 0.984 113 F HN 0.449 nan 8.300 nan 0.000 0.477 114 K N 0.102 120.449 120.400 -0.089 0.000 2.026 114 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 114 K C 2.249 178.777 176.600 -0.119 0.000 1.048 114 K CA 1.219 57.461 56.287 -0.076 0.000 0.929 114 K CB -0.486 32.032 32.500 0.029 0.000 0.713 114 K HN 0.345 nan 8.250 nan 0.000 0.439 115 A N 1.003 123.767 122.820 -0.094 0.000 1.902 115 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 115 A C 2.286 179.772 177.584 -0.164 0.000 1.181 115 A CA 1.967 53.943 52.037 -0.103 0.000 0.623 115 A CB -0.710 18.254 19.000 -0.060 0.000 0.818 115 A HN 0.484 nan 8.150 nan 0.000 0.443 116 A N -1.282 121.430 122.820 -0.180 0.000 1.873 116 A HA -0.014 4.306 4.320 -0.001 0.000 0.215 116 A C 2.067 179.514 177.584 -0.230 0.000 1.186 116 A CA 1.529 53.468 52.037 -0.163 0.000 0.616 116 A CB -0.753 18.208 19.000 -0.065 0.000 0.823 116 A HN 0.666 nan 8.150 nan 0.000 0.442 117 F N 1.320 120.950 119.950 -0.534 0.000 2.171 117 F HA -0.186 4.340 4.527 -0.001 0.000 0.300 117 F C 1.889 177.543 175.800 -0.244 0.000 1.090 117 F CA 1.989 59.717 58.000 -0.454 0.000 1.293 117 F CB -0.484 38.116 39.000 -0.667 0.000 1.013 117 F HN 0.314 nan 8.300 nan 0.000 0.486 118 N N -0.858 117.755 118.700 -0.144 0.000 2.364 118 N HA -0.173 4.566 4.740 -0.001 0.000 0.183 118 N C 1.592 176.972 175.510 -0.216 0.000 1.022 118 N CA 1.386 54.350 53.050 -0.144 0.000 0.883 118 N CB -0.130 38.318 38.487 -0.065 0.000 0.965 118 N HN 0.445 nan 8.380 nan 0.000 0.438 119 T N -1.247 113.155 114.554 -0.253 0.000 2.985 119 T HA 0.015 4.364 4.350 -0.001 0.000 0.266 119 T C 0.667 175.261 174.700 -0.177 0.000 1.076 119 T CA 0.221 62.195 62.100 -0.209 0.000 1.135 119 T CB -0.071 68.651 68.868 -0.243 0.000 0.890 119 T HN -0.105 nan 8.240 nan 0.000 0.480 120 L N 3.906 124.953 121.223 -0.293 0.000 2.410 120 L HA 0.318 4.657 4.340 -0.001 0.000 0.273 120 L C 0.299 177.014 176.870 -0.258 0.000 1.144 120 L CA -0.716 53.947 54.840 -0.294 0.000 0.863 120 L CB 0.195 41.989 42.059 -0.443 0.000 1.140 120 L HN 0.487 nan 8.230 nan 0.000 0.463 121 D N 1.872 122.184 120.400 -0.147 0.000 2.341 121 D HA 0.158 4.797 4.640 -0.001 0.000 0.245 121 D C 1.105 177.347 176.300 -0.096 0.000 1.106 121 D CA -0.488 53.452 54.000 -0.100 0.000 0.905 121 D CB 0.828 41.599 40.800 -0.049 0.000 1.202 121 D HN 0.279 nan 8.370 nan 0.000 0.426 122 L N 1.785 122.969 121.223 -0.066 0.000 2.051 122 L HA -0.137 4.202 4.340 -0.001 0.000 0.214 122 L C 1.637 178.495 176.870 -0.020 0.000 1.076 122 L CA 1.919 56.737 54.840 -0.035 0.000 0.758 122 L CB -0.942 41.111 42.059 -0.011 0.000 0.890 122 L HN 0.680 nan 8.230 nan 0.000 0.433 123 S N -0.695 114.994 115.700 -0.019 0.000 3.363 123 S HA 0.420 4.889 4.470 -0.001 0.000 0.267 123 S C 0.131 174.727 174.600 -0.007 0.000 1.288 123 S CA -0.141 58.053 58.200 -0.010 0.000 0.948 123 S CB -0.453 62.741 63.200 -0.010 0.000 1.397 123 S HN 0.386 nan 8.310 nan 0.000 0.493 124 T N -0.454 114.101 114.554 0.002 0.000 3.041 124 T HA 0.530 4.879 4.350 -0.001 0.000 0.321 124 T C -0.245 174.475 174.700 0.033 0.000 1.184 124 T CA -0.529 61.580 62.100 0.015 0.000 1.050 124 T CB 1.301 70.173 68.868 0.006 0.000 1.159 124 T HN 0.615 nan 8.240 nan 0.000 0.469 125 S N 1.057 116.781 115.700 0.039 0.000 2.576 125 S HA 0.147 4.616 4.470 -0.001 0.000 0.272 125 S C 1.236 175.878 174.600 0.069 0.000 1.352 125 S CA -0.434 57.794 58.200 0.046 0.000 1.021 125 S CB -0.182 63.038 63.200 0.034 0.000 0.887 125 S HN 0.900 nan 8.310 nan 0.000 0.542 126 C N 3.186 122.536 119.300 0.084 0.000 2.697 126 C HA 0.559 5.018 4.460 -0.001 0.000 0.267 126 C C 1.453 176.489 174.990 0.077 0.000 1.278 126 C CA 0.183 59.265 59.018 0.107 0.000 1.708 126 C CB -1.861 25.963 27.740 0.140 0.000 1.860 126 C HN 1.263 nan 8.230 nan 0.000 0.589 127 G N 1.754 110.577 108.800 0.038 0.000 2.660 127 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.247 127 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.247 127 G C -1.971 172.858 174.900 -0.119 0.000 1.328 127 G CA -0.026 45.069 45.100 -0.010 0.000 0.884 127 G HN -0.017 nan 8.290 nan 0.000 0.531 128 P HA 0.107 nan 4.420 nan 0.000 0.226 128 P C 1.145 178.056 177.300 -0.648 0.000 1.153 128 P CA 1.336 64.118 63.100 -0.530 0.000 0.777 128 P CB -0.047 31.166 31.700 -0.812 0.000 0.794 129 F N -1.028 118.836 119.950 -0.144 0.000 2.717 129 F HA 0.163 4.690 4.527 -0.001 0.000 0.297 129 F C 1.055 176.709 175.800 -0.243 0.000 1.113 129 F CA 0.042 57.922 58.000 -0.200 0.000 1.319 129 F CB 0.145 39.030 39.000 -0.192 0.000 1.097 129 F HN -0.368 nan 8.300 nan 0.000 0.595 130 V N 3.121 122.978 119.914 -0.096 0.000 2.531 130 V HA 0.367 4.486 4.120 -0.001 0.000 0.301 130 V C -2.168 173.934 176.094 0.014 0.000 1.034 130 V CA -2.035 60.211 62.300 -0.090 0.000 0.865 130 V CB 2.003 33.720 31.823 -0.176 0.000 0.995 130 V HN -0.182 nan 8.190 nan 0.000 0.424 131 P HA 0.349 nan 4.420 nan 0.000 0.272 131 P C 0.496 177.897 177.300 0.167 0.000 1.240 131 P CA 0.973 64.128 63.100 0.091 0.000 0.791 131 P CB 0.962 32.712 31.700 0.083 0.000 0.978 132 G N 1.430 110.272 108.800 0.070 0.000 2.645 132 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.246 132 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.246 132 G C -0.787 174.147 174.900 0.057 0.000 1.322 132 G CA -0.228 44.891 45.100 0.030 0.000 0.898 132 G HN 0.702 nan 8.290 nan 0.000 0.573 133 K N 0.116 120.527 120.400 0.018 0.000 2.211 133 K HA 0.511 4.831 4.320 -0.001 0.000 0.237 133 K C 1.361 178.021 176.600 0.100 0.000 1.002 133 K CA -0.412 55.904 56.287 0.048 0.000 0.885 133 K CB 1.845 34.352 32.500 0.010 0.000 1.136 133 K HN 0.556 nan 8.250 nan 0.000 0.448 134 K N 1.490 121.962 120.400 0.120 0.000 2.063 134 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 134 K C 1.699 178.390 176.600 0.151 0.000 1.048 134 K CA 1.517 57.914 56.287 0.183 0.000 0.928 134 K CB -0.097 32.461 32.500 0.097 0.000 0.713 134 K HN 0.715 nan 8.250 nan 0.000 0.442 135 I N 1.539 122.149 120.570 0.066 0.000 2.423 135 I HA -0.253 3.917 4.170 -0.001 0.000 0.254 135 I C 0.758 176.870 176.117 -0.008 0.000 1.151 135 I CA 1.548 62.870 61.300 0.037 0.000 1.421 135 I CB -0.062 37.945 38.000 0.011 0.000 1.079 135 I HN 0.233 nan 8.210 nan 0.000 0.431 136 D N -0.606 119.741 120.400 -0.088 0.000 2.349 136 D HA -0.059 4.581 4.640 -0.001 0.000 0.224 136 D C 1.110 177.177 176.300 -0.389 0.000 1.029 136 D CA 0.762 54.613 54.000 -0.249 0.000 0.879 136 D CB 0.065 40.651 40.800 -0.358 0.000 0.906 136 D HN 0.543 nan 8.370 nan 0.000 0.528 137 H N -0.848 118.264 119.070 0.071 0.000 3.233 137 H HA 0.209 4.765 4.556 -0.001 0.000 0.263 137 H C 0.226 175.600 175.328 0.077 0.000 1.168 137 H CA 0.202 56.294 56.048 0.074 0.000 1.159 137 H CB 1.597 31.415 29.762 0.093 0.000 1.593 137 H HN -0.112 nan 8.280 nan 0.000 0.580 138 V N 2.183 122.203 119.914 0.177 0.000 2.454 138 V HA 0.122 4.242 4.120 -0.001 0.000 0.255 138 V C 0.484 176.633 176.094 0.092 0.000 1.009 138 V CA -0.340 62.046 62.300 0.142 0.000 1.149 138 V CB 0.911 32.866 31.823 0.220 0.000 1.418 138 V HN 0.056 nan 8.190 nan 0.000 0.567 139 K N 0.842 121.279 120.400 0.062 0.000 2.004 139 K HA 0.005 4.324 4.320 -0.001 0.000 0.217 139 K C 1.094 177.714 176.600 0.034 0.000 1.026 139 K CA 0.880 57.189 56.287 0.037 0.000 0.979 139 K CB -0.187 32.325 32.500 0.021 0.000 0.818 139 K HN 0.400 nan 8.250 nan 0.000 0.447 140 D N 0.282 120.698 120.400 0.026 0.000 2.662 140 D HA 0.078 4.717 4.640 -0.001 0.000 0.228 140 D C 0.771 177.084 176.300 0.022 0.000 1.090 140 D CA 0.909 54.921 54.000 0.021 0.000 1.118 140 D CB -0.729 40.080 40.800 0.015 0.000 1.129 140 D HN 0.529 nan 8.370 nan 0.000 0.472 141 G N 0.905 109.723 108.800 0.030 0.000 2.413 141 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.259 141 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.259 141 G C 0.415 175.331 174.900 0.026 0.000 1.003 141 G CA 0.713 45.831 45.100 0.030 0.000 0.629 141 G HN 0.653 nan 8.290 nan 0.000 0.548 142 V N 1.256 121.181 119.914 0.019 0.000 2.864 142 V HA 0.743 4.862 4.120 -0.001 0.000 0.314 142 V C 0.668 176.766 176.094 0.006 0.000 1.073 142 V CA -0.928 61.373 62.300 0.000 0.000 0.956 142 V CB 1.766 33.584 31.823 -0.009 0.000 1.023 142 V HN 0.350 nan 8.190 nan 0.000 0.435 143 M N 4.374 123.957 119.600 -0.028 0.000 2.238 143 M HA 0.203 4.683 4.480 -0.001 0.000 0.347 143 M C 0.220 176.526 176.300 0.010 0.000 1.173 143 M CA -0.232 55.058 55.300 -0.017 0.000 1.147 143 M CB 0.636 33.178 32.600 -0.097 0.000 1.547 143 M HN 0.913 nan 8.290 nan 0.000 0.455 144 D N 2.244 122.681 120.400 0.062 0.000 2.274 144 D HA -0.076 4.563 4.640 -0.001 0.000 0.256 144 D C 0.457 176.769 176.300 0.021 0.000 1.274 144 D CA 0.029 54.067 54.000 0.064 0.000 0.998 144 D CB 0.394 41.282 40.800 0.148 0.000 1.139 144 D HN 0.543 nan 8.370 nan 0.000 0.540 145 Q N -1.215 118.597 119.800 0.019 0.000 2.163 145 Q HA 0.032 4.371 4.340 -0.001 0.000 0.198 145 Q C 1.916 177.910 176.000 -0.010 0.000 0.954 145 Q CA 0.947 56.747 55.803 -0.004 0.000 0.851 145 Q CB -0.265 28.472 28.738 -0.002 0.000 0.928 145 Q HN 0.437 nan 8.270 nan 0.000 0.459 146 V N 0.532 120.432 119.914 -0.023 0.000 2.295 146 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 146 V C 2.225 178.272 176.094 -0.079 0.000 1.049 146 V CA 1.585 63.847 62.300 -0.062 0.000 1.024 146 V CB -0.678 31.075 31.823 -0.116 0.000 0.648 146 V HN 0.404 nan 8.190 nan 0.000 0.447 147 L N 0.005 121.138 121.223 -0.150 0.000 2.005 147 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 147 L C 2.696 179.608 176.870 0.069 0.000 1.072 147 L CA 1.969 56.780 54.840 -0.049 0.000 0.744 147 L CB -0.659 41.386 42.059 -0.022 0.000 0.895 147 L HN 0.381 nan 8.230 nan 0.000 0.433 148 A N -0.196 122.632 122.820 0.014 0.000 1.908 148 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 148 A C 2.268 179.873 177.584 0.035 0.000 1.181 148 A CA 1.881 53.911 52.037 -0.011 0.000 0.627 148 A CB -0.449 18.511 19.000 -0.068 0.000 0.818 148 A HN 0.373 nan 8.150 nan 0.000 0.445 149 K N -1.626 118.800 120.400 0.044 0.000 2.032 149 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 149 K C 2.127 178.819 176.600 0.154 0.000 1.048 149 K CA 1.845 58.180 56.287 0.080 0.000 0.927 149 K CB -0.339 32.196 32.500 0.058 0.000 0.712 149 K HN 0.740 nan 8.250 nan 0.000 0.441 150 H N 0.806 119.914 119.070 0.064 0.000 2.357 150 H HA -0.005 4.550 4.556 -0.001 0.000 0.301 150 H C 1.809 177.215 175.328 0.130 0.000 1.082 150 H CA 1.407 57.508 56.048 0.087 0.000 1.342 150 H CB -0.082 29.727 29.762 0.078 0.000 1.389 150 H HN 0.051 nan 8.280 nan 0.000 0.511 151 L N -0.812 120.471 121.223 0.100 0.000 2.156 151 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 151 L C 2.080 179.001 176.870 0.084 0.000 1.095 151 L CA 1.094 56.004 54.840 0.116 0.000 0.770 151 L CB -0.472 41.744 42.059 0.261 0.000 0.914 151 L HN 0.353 nan 8.230 nan 0.000 0.439 152 Y N 1.217 121.474 120.300 -0.073 0.000 2.145 152 Y HA -0.248 4.301 4.550 -0.001 0.000 0.286 152 Y C 2.561 178.463 175.900 0.004 0.000 1.145 152 Y CA 1.532 59.583 58.100 -0.083 0.000 1.148 152 Y CB -0.048 38.349 38.460 -0.105 0.000 0.981 152 Y HN -0.026 nan 8.280 nan 0.000 0.507 153 K N -0.551 119.841 120.400 -0.012 0.000 2.009 153 K HA -0.223 4.096 4.320 -0.001 0.000 0.210 153 K C 2.239 178.762 176.600 -0.129 0.000 1.049 153 K CA 1.734 57.963 56.287 -0.096 0.000 0.929 153 K CB -0.934 31.559 32.500 -0.011 0.000 0.714 153 K HN 0.360 nan 8.250 nan 0.000 0.440 154 C N 0.506 119.741 119.300 -0.109 0.000 2.393 154 C HA -0.161 4.299 4.460 -0.001 0.000 0.276 154 C C 2.394 177.403 174.990 0.032 0.000 1.215 154 C CA 0.299 59.285 59.018 -0.055 0.000 1.743 154 C CB -1.144 26.560 27.740 -0.059 0.000 2.044 154 C HN 0.647 nan 8.230 nan 0.000 0.464 155 W N 1.588 122.821 121.300 -0.111 0.000 2.338 155 W HA -0.198 4.461 4.660 -0.001 0.000 0.304 155 W C 2.379 178.791 176.519 -0.178 0.000 1.212 155 W CA 1.948 59.244 57.345 -0.082 0.000 1.264 155 W CB -0.368 29.067 29.460 -0.041 0.000 1.142 155 W HN 0.382 nan 8.180 nan 0.000 0.512 156 S N 0.678 116.266 115.700 -0.186 0.000 2.343 156 S HA -0.207 4.263 4.470 -0.001 0.000 0.219 156 S C 1.789 176.246 174.600 -0.238 0.000 1.033 156 S CA 1.732 59.751 58.200 -0.301 0.000 1.014 156 S CB -1.063 61.869 63.200 -0.447 0.000 0.915 156 S HN 0.104 nan 8.310 nan 0.000 0.435 157 V N 2.469 122.269 119.914 -0.191 0.000 2.252 157 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 157 V C 2.758 178.745 176.094 -0.178 0.000 1.056 157 V CA 1.879 64.083 62.300 -0.160 0.000 1.022 157 V CB -1.365 30.379 31.823 -0.133 0.000 0.641 157 V HN 0.571 nan 8.190 nan 0.000 0.445 158 A N 0.078 122.781 122.820 -0.196 0.000 1.940 158 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 158 A C 1.955 179.362 177.584 -0.296 0.000 1.176 158 A CA 2.391 54.292 52.037 -0.227 0.000 0.631 158 A CB -0.848 18.016 19.000 -0.227 0.000 0.814 158 A HN 0.668 nan 8.150 nan 0.000 0.446 159 N N -0.130 118.344 118.700 -0.377 0.000 2.494 159 N HA -0.062 4.677 4.740 -0.001 0.000 0.182 159 N C 1.507 176.879 175.510 -0.230 0.000 1.076 159 N CA 0.978 53.810 53.050 -0.363 0.000 0.908 159 N CB -0.014 38.205 38.487 -0.447 0.000 0.967 159 N HN 0.595 nan 8.380 nan 0.000 0.449 160 S N -1.210 114.374 115.700 -0.193 0.000 2.593 160 S HA 0.226 4.695 4.470 -0.001 0.000 0.217 160 S C 1.532 176.056 174.600 -0.127 0.000 0.966 160 S CA 0.302 58.418 58.200 -0.141 0.000 0.914 160 S CB 0.161 63.287 63.200 -0.123 0.000 0.776 160 S HN 0.342 nan 8.310 nan 0.000 0.523 161 G N 0.940 109.653 108.800 -0.145 0.000 2.176 161 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.253 161 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.253 161 G C -0.103 174.731 174.900 -0.111 0.000 0.979 161 G CA 0.093 45.118 45.100 -0.125 0.000 0.641 161 G HN 0.569 nan 8.290 nan 0.000 0.530 162 K N 0.874 121.203 120.400 -0.117 0.000 2.205 162 K HA 0.646 4.965 4.320 -0.001 0.000 0.279 162 K C 0.852 177.383 176.600 -0.115 0.000 1.027 162 K CA 0.053 56.275 56.287 -0.109 0.000 0.932 162 K CB 1.424 33.858 32.500 -0.111 0.000 1.032 162 K HN 0.511 nan 8.250 nan 0.000 0.466 163 A N 3.508 126.266 122.820 -0.103 0.000 2.531 163 A HA 0.127 4.446 4.320 -0.001 0.000 0.236 163 A C -0.063 177.445 177.584 -0.128 0.000 1.062 163 A CA -0.146 51.834 52.037 -0.095 0.000 0.760 163 A CB -0.077 18.881 19.000 -0.070 0.000 0.995 163 A HN 0.557 nan 8.150 nan 0.000 0.501 164 L N 1.167 122.339 121.223 -0.086 0.000 2.469 164 L HA 0.339 4.678 4.340 -0.001 0.000 0.253 164 L C 0.499 177.345 176.870 -0.040 0.000 1.143 164 L CA -0.273 54.521 54.840 -0.077 0.000 0.804 164 L CB 0.188 42.256 42.059 0.015 0.000 1.214 164 L HN 0.698 nan 8.230 nan 0.000 0.476 165 H N -0.788 118.364 119.070 0.137 0.000 2.742 165 H HA 0.092 4.647 4.556 -0.001 0.000 0.302 165 H C -0.381 175.133 175.328 0.311 0.000 1.069 165 H CA 0.251 56.439 56.048 0.233 0.000 1.446 165 H CB 0.117 30.064 29.762 0.308 0.000 1.462 165 H HN 0.453 nan 8.280 nan 0.000 0.499 166 H N 6.016 125.267 119.070 0.303 0.000 2.799 166 H HA 0.195 4.750 4.556 -0.001 0.000 0.225 166 H C -0.563 174.940 175.328 0.292 0.000 1.904 166 H CA -0.356 55.836 56.048 0.239 0.000 1.344 166 H CB -0.362 29.544 29.762 0.241 0.000 1.744 166 H HN 0.507 nan 8.280 nan 0.000 0.542 167 I N 2.911 123.629 120.570 0.247 0.000 2.530 167 I HA 0.231 4.400 4.170 -0.001 0.000 0.297 167 I C -1.024 175.059 176.117 -0.055 0.000 1.011 167 I CA -0.911 60.506 61.300 0.195 0.000 1.107 167 I CB 1.780 39.960 38.000 0.301 0.000 1.285 167 I HN 0.301 nan 8.210 nan 0.000 0.436 168 Y N 2.449 122.778 120.300 0.048 0.000 2.633 168 Y HA 0.704 5.253 4.550 -0.001 0.000 0.339 168 Y C 0.241 176.052 175.900 -0.148 0.000 1.045 168 Y CA -1.090 57.024 58.100 0.023 0.000 1.098 168 Y CB 1.653 40.232 38.460 0.199 0.000 1.296 168 Y HN 0.543 nan 8.280 nan 0.000 0.494 169 A N 0.616 123.449 122.820 0.022 0.000 2.290 169 A HA 0.532 4.851 4.320 -0.001 0.000 0.310 169 A C -0.605 176.888 177.584 -0.152 0.000 1.202 169 A CA -0.543 51.426 52.037 -0.113 0.000 0.837 169 A CB 0.109 19.042 19.000 -0.112 0.000 1.139 169 A HN 0.870 nan 8.150 nan 0.000 0.509 170 C N 2.332 121.490 119.300 -0.237 0.000 2.405 170 C HA 0.907 5.367 4.460 -0.001 0.000 0.365 170 C C 0.804 175.656 174.990 -0.230 0.000 1.233 170 C CA 0.931 59.743 59.018 -0.344 0.000 2.230 170 C CB 0.231 27.742 27.740 -0.381 0.000 2.443 170 C HN 1.302 nan 8.230 nan 0.000 0.556 171 G N 3.568 112.227 108.800 -0.235 0.000 2.550 171 G HA2 0.484 4.444 3.960 -0.001 0.000 0.293 171 G HA3 0.484 4.444 3.960 -0.001 0.000 0.293 171 G C -2.072 172.762 174.900 -0.111 0.000 1.402 171 G CA -0.654 44.364 45.100 -0.136 0.000 0.784 171 G HN 0.796 nan 8.290 nan 0.000 0.482 172 L N 0.885 122.075 121.223 -0.056 0.000 2.287 172 L HA 0.434 4.773 4.340 -0.001 0.000 0.287 172 L C 0.331 177.201 176.870 0.001 0.000 1.022 172 L CA -0.948 53.879 54.840 -0.023 0.000 0.814 172 L CB 1.777 43.829 42.059 -0.011 0.000 1.217 172 L HN 0.590 nan 8.230 nan 0.000 0.420 173 K N 2.418 122.832 120.400 0.022 0.000 2.430 173 K HA -0.078 4.241 4.320 -0.001 0.000 0.280 173 K C -0.051 176.570 176.600 0.035 0.000 1.063 173 K CA -0.035 56.276 56.287 0.039 0.000 1.071 173 K CB 0.215 32.752 32.500 0.060 0.000 0.899 173 K HN 0.315 nan 8.250 nan 0.000 0.473 174 D N 5.130 125.557 120.400 0.045 0.000 2.470 174 D HA 0.025 4.664 4.640 -0.001 0.000 0.226 174 D C -0.775 175.614 176.300 0.148 0.000 1.196 174 D CA -0.048 53.999 54.000 0.079 0.000 0.979 174 D CB 0.086 40.925 40.800 0.064 0.000 1.059 174 D HN 0.698 nan 8.370 nan 0.000 0.515 175 E N 1.823 122.059 120.200 0.060 0.000 2.433 175 E HA 0.443 4.793 4.350 -0.001 0.000 0.273 175 E C -0.790 175.636 176.600 -0.291 0.000 0.950 175 E CA -1.065 55.315 56.400 -0.034 0.000 0.796 175 E CB 1.009 30.684 29.700 -0.042 0.000 1.330 175 E HN 0.127 nan 8.360 nan 0.000 0.455 176 L N 1.404 122.311 121.223 -0.526 0.000 2.326 176 L HA 0.487 4.826 4.340 -0.001 0.000 0.278 176 L C 0.141 176.844 176.870 -0.278 0.000 1.092 176 L CA -0.677 53.785 54.840 -0.630 0.000 0.810 176 L CB 0.588 42.097 42.059 -0.916 0.000 1.153 176 L HN 0.399 nan 8.230 nan 0.000 0.439 177 R N 2.575 123.016 120.500 -0.098 0.000 2.771 177 R HA 0.487 4.827 4.340 -0.001 0.000 0.274 177 R C -2.665 173.732 176.300 0.162 0.000 0.987 177 R CA -2.479 53.665 56.100 0.074 0.000 0.908 177 R CB 1.562 31.858 30.300 -0.007 0.000 1.213 177 R HN 0.203 nan 8.270 nan 0.000 0.468 178 P HA -0.034 nan 4.420 nan 0.000 0.266 178 P C 0.340 177.604 177.300 -0.060 0.000 1.195 178 P CA -0.437 62.600 63.100 -0.105 0.000 0.768 178 P CB 0.475 32.111 31.700 -0.106 0.000 0.838 179 L N 3.708 124.883 121.223 -0.080 0.000 2.869 179 L HA 0.081 4.420 4.340 -0.001 0.000 0.240 179 L C -0.200 176.652 176.870 -0.032 0.000 1.448 179 L CA 1.038 55.856 54.840 -0.037 0.000 1.158 179 L CB -2.086 39.958 42.059 -0.025 0.000 1.497 179 L HN 0.231 nan 8.230 nan 0.000 0.447 186 K N 1.145 121.562 120.400 0.030 0.000 2.379 186 K HA 0.417 4.737 4.320 -0.001 0.000 0.284 186 K C -0.449 176.179 176.600 0.047 0.000 1.044 186 K CA 0.237 56.551 56.287 0.044 0.000 0.974 186 K CB 0.780 33.308 32.500 0.046 0.000 0.962 186 K HN 0.203 nan 8.250 nan 0.000 0.474 187 K N 3.220 123.656 120.400 0.060 0.000 2.427 187 K HA 0.326 4.646 4.320 -0.001 0.000 0.252 187 K C -0.619 176.036 176.600 0.092 0.000 0.931 187 K CA -0.679 55.643 56.287 0.059 0.000 0.793 187 K CB 1.912 34.437 32.500 0.041 0.000 1.211 187 K HN 0.431 nan 8.250 nan 0.000 0.426 188 R N 2.206 122.764 120.500 0.097 0.000 2.643 188 R HA 0.240 4.580 4.340 -0.001 0.000 0.270 188 R C -0.168 176.213 176.300 0.136 0.000 1.061 188 R CA -0.192 55.996 56.100 0.146 0.000 1.107 188 R CB 0.198 30.579 30.300 0.135 0.000 0.999 188 R HN 0.361 nan 8.270 nan 0.000 0.460 189 L N 2.673 124.014 121.223 0.198 0.000 2.352 189 L HA 0.442 4.782 4.340 -0.001 0.000 0.269 189 L C 0.065 176.978 176.870 0.072 0.000 1.034 189 L CA -0.902 53.974 54.840 0.060 0.000 0.806 189 L CB 0.945 42.963 42.059 -0.068 0.000 1.244 189 L HN 0.331 nan 8.230 nan 0.000 0.447 190 L N 0.517 121.693 121.223 -0.078 0.000 2.357 190 L HA 0.253 4.592 4.340 -0.001 0.000 0.273 190 L C -1.260 175.497 176.870 -0.188 0.000 1.080 190 L CA -0.017 54.818 54.840 -0.008 0.000 0.803 190 L CB 1.107 43.157 42.059 -0.015 0.000 1.174 190 L HN 0.508 nan 8.230 nan 0.000 0.443 191 W N 1.868 123.156 121.300 -0.021 0.000 2.433 191 W HA 0.399 5.058 4.660 -0.001 0.000 0.288 191 W C 0.423 177.055 176.519 0.189 0.000 0.986 191 W CA -0.717 56.608 57.345 -0.034 0.000 1.680 191 W CB 1.395 30.672 29.460 -0.304 0.000 1.615 191 W HN 0.467 nan 8.180 nan 0.000 0.416 192 G N 1.764 110.733 108.800 0.282 0.000 2.428 192 G HA2 0.183 4.143 3.960 -0.001 0.000 0.293 192 G HA3 0.183 4.143 3.960 -0.001 0.000 0.293 192 G C 0.083 175.155 174.900 0.287 0.000 1.059 192 G CA -0.252 44.984 45.100 0.226 0.000 1.194 192 G HN 0.550 nan 8.290 nan 0.000 0.435 193 C N 3.499 122.983 119.300 0.308 0.000 2.653 193 C HA 0.174 4.634 4.460 -0.001 0.000 0.421 193 C C 1.030 176.043 174.990 0.038 0.000 1.334 193 C CA -0.625 58.457 59.018 0.107 0.000 1.885 193 C CB -0.357 27.490 27.740 0.178 0.000 2.645 193 C HN 0.838 nan 8.230 nan 0.000 0.601 194 D N 3.297 123.682 120.400 -0.026 0.000 2.493 194 D HA -0.012 4.627 4.640 -0.001 0.000 0.240 194 D C 0.925 177.351 176.300 0.210 0.000 1.142 194 D CA 0.222 54.313 54.000 0.151 0.000 0.872 194 D CB 1.061 42.034 40.800 0.289 0.000 1.173 194 D HN 0.438 nan 8.370 nan 0.000 0.467 195 V N 4.062 124.135 119.914 0.266 0.000 2.720 195 V HA -0.031 4.088 4.120 -0.001 0.000 0.256 195 V C 1.783 178.055 176.094 0.297 0.000 1.082 195 V CA 2.368 64.826 62.300 0.262 0.000 1.101 195 V CB -0.632 31.356 31.823 0.275 0.000 0.693 195 V HN 0.785 nan 8.190 nan 0.000 0.479 196 G N -0.765 108.242 108.800 0.345 0.000 2.394 196 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.215 196 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.215 196 G C 1.615 176.646 174.900 0.217 0.000 1.165 196 G CA 1.049 46.283 45.100 0.223 0.000 0.784 196 G HN 0.416 nan 8.290 nan 0.000 0.535 197 V N 1.629 121.666 119.914 0.206 0.000 2.343 197 V HA -0.125 3.994 4.120 -0.001 0.000 0.247 197 V C 3.313 179.524 176.094 0.195 0.000 1.051 197 V CA 1.961 64.365 62.300 0.174 0.000 1.036 197 V CB -0.723 31.189 31.823 0.149 0.000 0.654 197 V HN 0.456 nan 8.190 nan 0.000 0.451 198 A N -0.318 122.615 122.820 0.188 0.000 1.933 198 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 198 A C 2.342 180.041 177.584 0.191 0.000 1.175 198 A CA 2.032 54.173 52.037 0.174 0.000 0.628 198 A CB -0.497 18.576 19.000 0.121 0.000 0.814 198 A HN 0.368 nan 8.150 nan 0.000 0.444 199 V N -0.995 119.044 119.914 0.209 0.000 2.346 199 V HA -0.247 3.873 4.120 -0.001 0.000 0.244 199 V C 2.596 178.894 176.094 0.340 0.000 1.037 199 V CA 1.795 64.219 62.300 0.206 0.000 1.029 199 V CB -1.132 30.803 31.823 0.188 0.000 0.663 199 V HN 0.693 nan 8.190 nan 0.000 0.454 200 C N 0.784 120.312 119.300 0.381 0.000 2.425 200 C HA -0.068 4.392 4.460 -0.001 0.000 0.277 200 C C 3.121 178.237 174.990 0.209 0.000 1.280 200 C CA 0.751 59.959 59.018 0.318 0.000 1.744 200 C CB -1.409 26.418 27.740 0.145 0.000 1.989 200 C HN 0.612 nan 8.230 nan 0.000 0.491 201 A N 0.719 123.694 122.820 0.258 0.000 1.930 201 A HA 0.114 4.434 4.320 -0.001 0.000 0.217 201 A C 2.390 180.280 177.584 0.509 0.000 1.175 201 A CA 1.934 54.189 52.037 0.362 0.000 0.627 201 A CB -0.879 18.427 19.000 0.510 0.000 0.815 201 A HN 0.565 nan 8.150 nan 0.000 0.443 202 A N 0.025 123.148 122.820 0.506 0.000 1.908 202 A HA 0.091 4.410 4.320 -0.001 0.000 0.218 202 A C 2.494 180.290 177.584 0.353 0.000 1.181 202 A CA 2.238 54.593 52.037 0.529 0.000 0.627 202 A CB -1.012 18.152 19.000 0.274 0.000 0.818 202 A HN 1.084 nan 8.150 nan 0.000 0.445 203 A N -0.892 122.087 122.820 0.265 0.000 1.930 203 A HA 0.053 4.372 4.320 -0.001 0.000 0.217 203 A C 2.190 179.814 177.584 0.068 0.000 1.175 203 A CA 1.798 53.963 52.037 0.213 0.000 0.627 203 A CB -0.658 18.564 19.000 0.370 0.000 0.815 203 A HN 0.399 nan 8.150 nan 0.000 0.443 204 V N -2.121 117.752 119.914 -0.068 0.000 2.535 204 V HA -0.051 4.068 4.120 -0.001 0.000 0.246 204 V C 1.908 177.754 176.094 -0.413 0.000 1.045 204 V CA 1.462 63.554 62.300 -0.346 0.000 1.058 204 V CB -0.643 30.774 31.823 -0.676 0.000 0.689 204 V HN 0.535 nan 8.190 nan 0.000 0.461 205 F N -1.598 118.257 119.950 -0.159 0.000 2.717 205 F HA 0.233 4.759 4.527 -0.001 0.000 0.297 205 F C 2.168 177.722 175.800 -0.411 0.000 1.113 205 F CA 0.050 57.763 58.000 -0.478 0.000 1.319 205 F CB -0.641 37.694 39.000 -1.109 0.000 1.097 205 F HN 0.168 nan 8.300 nan 0.000 0.595 206 H N 0.846 119.931 119.070 0.024 0.000 2.352 206 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 206 H C 1.601 177.028 175.328 0.166 0.000 1.097 206 H CA 1.863 58.037 56.048 0.210 0.000 1.311 206 H CB 0.083 30.005 29.762 0.267 0.000 1.377 206 H HN 0.127 nan 8.280 nan 0.000 0.504 207 N N 0.757 119.575 118.700 0.196 0.000 2.084 207 N HA -0.139 4.601 4.740 -0.001 0.000 0.190 207 N C 2.166 177.750 175.510 0.124 0.000 1.030 207 N CA 0.973 54.120 53.050 0.162 0.000 0.849 207 N CB -0.504 38.056 38.487 0.121 0.000 1.012 207 N HN 0.340 nan 8.380 nan 0.000 0.423 208 I N 0.972 121.584 120.570 0.070 0.000 2.179 208 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 208 I C 1.947 178.085 176.117 0.036 0.000 1.088 208 I CA 1.168 62.500 61.300 0.052 0.000 1.357 208 I CB -0.452 37.580 38.000 0.054 0.000 1.051 208 I HN 0.104 nan 8.210 nan 0.000 0.409 209 C N -0.310 118.986 119.300 -0.008 0.000 2.422 209 C HA -0.172 4.288 4.460 -0.001 0.000 0.279 209 C C 2.618 177.618 174.990 0.016 0.000 1.305 209 C CA 0.848 59.867 59.018 0.001 0.000 1.757 209 C CB -1.530 26.231 27.740 0.034 0.000 1.962 209 C HN 0.651 nan 8.230 nan 0.000 0.499 210 Y N 2.110 122.338 120.300 -0.120 0.000 2.145 210 Y HA -0.204 4.346 4.550 -0.001 0.000 0.286 210 Y C 2.530 178.427 175.900 -0.005 0.000 1.145 210 Y CA 2.146 60.194 58.100 -0.086 0.000 1.148 210 Y CB -0.445 37.974 38.460 -0.069 0.000 0.981 210 Y HN 0.245 nan 8.280 nan 0.000 0.507 211 K N -0.042 120.373 120.400 0.025 0.000 2.097 211 K HA -0.167 4.152 4.320 -0.001 0.000 0.206 211 K C 2.057 178.630 176.600 -0.045 0.000 1.049 211 K CA 1.631 57.900 56.287 -0.030 0.000 0.933 211 K CB -0.334 32.190 32.500 0.040 0.000 0.717 211 K HN 0.407 nan 8.250 nan 0.000 0.442 212 L N 1.000 122.225 121.223 0.003 0.000 2.046 212 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 212 L C 2.695 179.570 176.870 0.010 0.000 1.077 212 L CA 1.424 56.297 54.840 0.055 0.000 0.747 212 L CB -0.435 41.669 42.059 0.075 0.000 0.896 212 L HN 0.233 nan 8.230 nan 0.000 0.432 213 K N -0.131 120.231 120.400 -0.064 0.000 2.097 213 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 213 K C 2.177 178.710 176.600 -0.110 0.000 1.049 213 K CA 1.244 57.482 56.287 -0.082 0.000 0.933 213 K CB 0.044 32.488 32.500 -0.092 0.000 0.717 213 K HN 0.164 nan 8.250 nan 0.000 0.442 214 M N 0.588 120.061 119.600 -0.211 0.000 2.202 214 M HA -0.106 4.373 4.480 -0.001 0.000 0.262 214 M C 1.846 178.144 176.300 -0.003 0.000 1.063 214 M CA 0.973 56.176 55.300 -0.162 0.000 1.097 214 M CB -0.388 32.076 32.600 -0.227 0.000 1.382 214 M HN -0.007 nan 8.290 nan 0.000 0.413 215 V N -0.101 119.852 119.914 0.065 0.000 3.214 215 V HA 0.262 4.381 4.120 -0.001 0.000 0.330 215 V C 1.792 178.019 176.094 0.222 0.000 1.403 215 V CA 0.427 62.865 62.300 0.230 0.000 1.143 215 V CB -0.161 31.815 31.823 0.255 0.000 1.098 215 V HN 0.351 nan 8.190 nan 0.000 0.463 216 A N 1.547 124.423 122.820 0.093 0.000 1.972 216 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 216 A C 2.164 179.800 177.584 0.088 0.000 1.169 216 A CA 1.873 53.961 52.037 0.083 0.000 0.635 216 A CB -0.347 18.677 19.000 0.040 0.000 0.810 216 A HN 0.749 nan 8.150 nan 0.000 0.446 217 R N -1.916 118.544 120.500 -0.066 0.000 2.237 217 R HA -0.020 4.319 4.340 -0.001 0.000 0.219 217 R C 1.130 177.358 176.300 -0.121 0.000 1.080 217 R CA 1.548 57.532 56.100 -0.193 0.000 0.995 217 R CB -0.556 29.501 30.300 -0.406 0.000 0.875 217 R HN 0.426 nan 8.270 nan 0.000 0.462 218 F N 1.213 121.272 119.950 0.182 0.000 2.619 218 F HA 0.318 4.845 4.527 -0.001 0.000 0.293 218 F C 1.736 177.494 175.800 -0.070 0.000 1.119 218 F CA 0.699 58.774 58.000 0.125 0.000 1.445 218 F CB -0.246 38.812 39.000 0.098 0.000 1.119 218 F HN 0.337 nan 8.300 nan 0.000 0.573 219 G N 1.082 109.924 108.800 0.069 0.000 2.697 219 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.240 219 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.240 219 G C -1.867 172.671 174.900 -0.605 0.000 1.346 219 G CA -0.268 44.589 45.100 -0.404 0.000 0.887 219 G HN 0.130 nan 8.290 nan 0.000 0.569 220 P HA 0.103 nan 4.420 nan 0.000 0.221 220 P C 0.992 177.989 177.300 -0.504 0.000 1.150 220 P CA 0.741 63.154 63.100 -1.144 0.000 0.800 220 P CB 0.075 30.680 31.700 -1.824 0.000 0.787 221 I N 0.033 120.431 120.570 -0.287 0.000 2.421 221 I HA 0.076 4.246 4.170 -0.001 0.000 0.291 221 I C 1.401 177.524 176.117 0.011 0.000 1.089 221 I CA -0.238 61.023 61.300 -0.064 0.000 1.354 221 I CB 0.737 38.739 38.000 0.003 0.000 1.413 221 I HN -0.084 nan 8.210 nan 0.000 0.513 222 A N 6.444 129.323 122.820 0.098 0.000 2.238 222 A HA 0.135 4.454 4.320 -0.001 0.000 0.208 222 A C 0.904 178.501 177.584 0.021 0.000 1.177 222 A CA -0.050 52.114 52.037 0.211 0.000 0.804 222 A CB -0.159 19.144 19.000 0.505 0.000 0.823 222 A HN 0.492 nan 8.150 nan 0.000 0.482 223 V N 0.525 120.254 119.914 -0.309 0.000 2.509 223 V HA 0.360 4.479 4.120 -0.001 0.000 0.297 223 V C 1.549 177.579 176.094 -0.105 0.000 1.014 223 V CA 1.404 63.416 62.300 -0.479 0.000 1.127 223 V CB -0.225 31.304 31.823 -0.489 0.000 0.925 223 V HN 1.009 nan 8.190 nan 0.000 0.480 224 G N 3.482 112.294 108.800 0.020 0.000 2.218 224 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 224 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 224 G C 0.179 175.110 174.900 0.051 0.000 0.994 224 G CA -0.052 45.072 45.100 0.040 0.000 0.637 224 G HN 0.931 nan 8.290 nan 0.000 0.505 225 V N 1.682 121.642 119.914 0.078 0.000 2.763 225 V HA 0.438 4.558 4.120 -0.001 0.000 0.306 225 V C -0.051 176.058 176.094 0.027 0.000 1.059 225 V CA 0.648 62.973 62.300 0.041 0.000 1.138 225 V CB 1.595 33.449 31.823 0.052 0.000 0.940 225 V HN 0.329 nan 8.190 nan 0.000 0.489 226 D N 6.240 126.637 120.400 -0.005 0.000 2.427 226 D HA 0.239 4.879 4.640 -0.001 0.000 0.226 226 D C 0.563 176.856 176.300 -0.013 0.000 1.076 226 D CA -0.463 53.534 54.000 -0.004 0.000 0.849 226 D CB 1.257 42.054 40.800 -0.005 0.000 1.052 226 D HN 0.478 nan 8.370 nan 0.000 0.515 227 M N 2.409 122.004 119.600 -0.009 0.000 2.722 227 M HA -0.027 4.453 4.480 -0.001 0.000 0.238 227 M C 1.248 177.561 176.300 0.022 0.000 1.098 227 M CA 0.474 55.779 55.300 0.007 0.000 1.062 227 M CB -0.454 32.147 32.600 0.001 0.000 1.573 227 M HN 0.260 nan 8.290 nan 0.000 0.531 228 T N -0.493 114.067 114.554 0.009 0.000 2.985 228 T HA 0.097 4.446 4.350 -0.001 0.000 0.254 228 T C 1.002 175.707 174.700 0.008 0.000 1.021 228 T CA 0.194 62.301 62.100 0.012 0.000 0.957 228 T CB 0.454 69.326 68.868 0.007 0.000 1.047 228 T HN 0.529 nan 8.240 nan 0.000 0.511 229 S N 0.022 115.722 115.700 -0.001 0.000 2.713 229 S HA 0.471 4.940 4.470 -0.001 0.000 0.296 229 S C 1.048 175.641 174.600 -0.012 0.000 1.114 229 S CA -0.839 57.357 58.200 -0.008 0.000 0.997 229 S CB 0.724 63.914 63.200 -0.016 0.000 1.249 229 S HN 0.030 nan 8.310 nan 0.000 0.534 230 R N 0.544 121.032 120.500 -0.020 0.000 2.328 230 R HA -0.019 4.321 4.340 -0.001 0.000 0.207 230 R C 0.809 177.066 176.300 -0.072 0.000 1.056 230 R CA 0.656 56.741 56.100 -0.025 0.000 1.016 230 R CB -0.808 29.480 30.300 -0.019 0.000 0.872 230 R HN 0.637 nan 8.270 nan 0.000 0.471 231 D N 0.400 120.744 120.400 -0.094 0.000 2.133 231 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 231 D C 1.923 178.102 176.300 -0.201 0.000 0.997 231 D CA 1.008 54.914 54.000 -0.157 0.000 0.840 231 D CB -0.085 40.639 40.800 -0.125 0.000 0.947 231 D HN -0.019 nan 8.370 nan 0.000 0.452 232 V N 1.195 121.017 119.914 -0.154 0.000 2.332 232 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 232 V C 1.706 177.630 176.094 -0.284 0.000 1.055 232 V CA 2.097 64.262 62.300 -0.224 0.000 1.038 232 V CB -0.609 31.170 31.823 -0.073 0.000 0.651 232 V HN 0.125 nan 8.190 nan 0.000 0.450 233 D N 0.224 120.556 120.400 -0.113 0.000 2.097 233 D HA -0.180 4.460 4.640 -0.001 0.000 0.195 233 D C 2.123 178.329 176.300 -0.157 0.000 0.989 233 D CA 1.669 55.638 54.000 -0.051 0.000 0.827 233 D CB -0.346 40.509 40.800 0.091 0.000 0.966 233 D HN 0.439 nan 8.370 nan 0.000 0.456 234 V N 0.080 119.892 119.914 -0.169 0.000 2.515 234 V HA -0.159 3.960 4.120 -0.001 0.000 0.250 234 V C 1.872 177.843 176.094 -0.206 0.000 1.058 234 V CA 1.136 63.337 62.300 -0.165 0.000 1.064 234 V CB -0.527 31.166 31.823 -0.216 0.000 0.675 234 V HN 0.232 nan 8.190 nan 0.000 0.461 235 I N 0.012 120.365 120.570 -0.362 0.000 2.163 235 I HA -0.242 3.928 4.170 -0.001 0.000 0.243 235 I C 2.530 178.347 176.117 -0.501 0.000 1.085 235 I CA 2.525 63.482 61.300 -0.572 0.000 1.347 235 I CB -0.285 37.188 38.000 -0.877 0.000 1.044 235 I HN 0.298 nan 8.210 nan 0.000 0.408 236 I N 0.564 120.760 120.570 -0.625 0.000 2.202 236 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 236 I C 2.202 178.073 176.117 -0.411 0.000 1.091 236 I CA 1.136 61.996 61.300 -0.733 0.000 1.368 236 I CB -0.493 36.721 38.000 -1.311 0.000 1.058 236 I HN 0.271 nan 8.210 nan 0.000 0.410 237 N N 1.015 119.562 118.700 -0.255 0.000 2.104 237 N HA -0.224 4.515 4.740 -0.001 0.000 0.190 237 N C 1.667 177.166 175.510 -0.018 0.000 1.024 237 N CA 1.344 54.352 53.050 -0.071 0.000 0.853 237 N CB -0.729 37.758 38.487 -0.000 0.000 1.008 237 N HN 0.288 nan 8.380 nan 0.000 0.424 238 N N 0.880 119.576 118.700 -0.006 0.000 2.166 238 N HA -0.033 4.706 4.740 -0.001 0.000 0.186 238 N C 1.685 177.242 175.510 0.079 0.000 1.019 238 N CA 0.711 53.804 53.050 0.073 0.000 0.856 238 N CB -0.267 38.320 38.487 0.165 0.000 0.993 238 N HN 0.225 nan 8.380 nan 0.000 0.426 239 L N -0.377 120.874 121.223 0.045 0.000 2.093 239 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 239 L C 1.959 179.017 176.870 0.314 0.000 1.085 239 L CA 1.569 56.497 54.840 0.148 0.000 0.755 239 L CB -0.593 41.430 42.059 -0.060 0.000 0.904 239 L HN 0.329 nan 8.230 nan 0.000 0.435 240 T N -4.406 110.250 114.554 0.171 0.000 3.129 240 T HA -0.016 4.334 4.350 -0.001 0.000 0.251 240 T C 1.898 176.681 174.700 0.139 0.000 1.117 240 T CA 0.542 62.789 62.100 0.246 0.000 1.034 240 T CB -0.089 68.870 68.868 0.152 0.000 0.968 240 T HN 0.369 nan 8.240 nan 0.000 0.526 241 S N 1.603 117.361 115.700 0.098 0.000 2.383 241 S HA 0.024 4.494 4.470 -0.001 0.000 0.227 241 S C 1.839 176.471 174.600 0.053 0.000 1.026 241 S CA 0.565 58.806 58.200 0.067 0.000 0.981 241 S CB -0.248 62.985 63.200 0.055 0.000 0.818 241 S HN 0.366 nan 8.310 nan 0.000 0.472 242 K N 0.995 121.427 120.400 0.054 0.000 2.360 242 K HA 0.610 4.929 4.320 -0.001 0.000 0.196 242 K C 0.224 176.826 176.600 0.004 0.000 1.049 242 K CA 0.523 56.826 56.287 0.027 0.000 1.049 242 K CB 1.218 33.733 32.500 0.024 0.000 0.881 242 K HN 0.537 nan 8.250 nan 0.000 0.542 243 A N -0.702 122.114 122.820 -0.007 0.000 2.602 243 A HA 0.536 4.855 4.320 -0.001 0.000 0.290 243 A C -0.329 177.158 177.584 -0.163 0.000 1.114 243 A CA -0.259 51.705 52.037 -0.123 0.000 0.683 243 A CB 1.036 19.894 19.000 -0.238 0.000 1.281 243 A HN 0.021 nan 8.150 nan 0.000 0.416 244 S N -0.710 114.833 115.700 -0.261 0.000 2.780 244 S HA 0.331 4.800 4.470 -0.001 0.000 0.248 244 S C -0.617 173.786 174.600 -0.328 0.000 1.036 244 S CA -0.146 57.962 58.200 -0.153 0.000 1.061 244 S CB 0.030 63.231 63.200 0.001 0.000 1.037 244 S HN 0.580 nan 8.310 nan 0.000 0.584 245 D N 0.717 120.692 120.400 -0.708 0.000 2.457 245 D HA 0.625 5.265 4.640 -0.001 0.000 0.240 245 D C -1.364 174.359 176.300 -0.962 0.000 1.041 245 D CA -0.164 53.516 54.000 -0.533 0.000 0.861 245 D CB 1.798 42.467 40.800 -0.219 0.000 1.394 245 D HN 0.207 nan 8.370 nan 0.000 0.473 246 F N 0.288 120.265 119.950 0.044 0.000 2.613 246 F HA 0.451 4.978 4.527 -0.001 0.000 0.310 246 F C -0.478 175.354 175.800 0.052 0.000 1.085 246 F CA -0.960 57.063 58.000 0.039 0.000 0.945 246 F CB 2.138 41.131 39.000 -0.013 0.000 1.298 246 F HN -0.021 nan 8.300 nan 0.000 0.455 247 L N 2.332 123.705 121.223 0.249 0.000 2.356 247 L HA 0.652 4.991 4.340 -0.001 0.000 0.277 247 L C -1.592 175.336 176.870 0.096 0.000 0.996 247 L CA -0.415 54.541 54.840 0.193 0.000 0.822 247 L CB 1.238 43.447 42.059 0.250 0.000 1.256 247 L HN 0.765 nan 8.230 nan 0.000 0.413 248 C N 5.768 125.099 119.300 0.051 0.000 2.345 248 C HA 0.666 5.126 4.460 -0.001 0.000 0.323 248 C C -0.018 174.965 174.990 -0.012 0.000 1.276 248 C CA -0.760 58.238 59.018 -0.033 0.000 1.543 248 C CB 0.928 28.664 27.740 -0.006 0.000 2.211 248 C HN 0.638 nan 8.230 nan 0.000 0.493 249 L N 2.063 123.260 121.223 -0.043 0.000 2.350 249 L HA 0.644 4.984 4.340 -0.001 0.000 0.260 249 L C -0.879 175.900 176.870 -0.152 0.000 1.015 249 L CA -0.295 54.477 54.840 -0.113 0.000 0.821 249 L CB 2.234 44.188 42.059 -0.176 0.000 1.370 249 L HN 0.543 nan 8.230 nan 0.000 0.416 250 D N -0.721 119.536 120.400 -0.238 0.000 2.423 250 D HA 0.545 5.184 4.640 -0.001 0.000 0.235 250 D C -1.742 174.372 176.300 -0.311 0.000 1.011 250 D CA -0.085 53.823 54.000 -0.154 0.000 0.963 250 D CB 1.825 42.591 40.800 -0.057 0.000 1.349 250 D HN 0.171 nan 8.370 nan 0.000 0.508 251 Y N 0.055 120.402 120.300 0.077 0.000 2.391 251 Y HA 0.435 4.984 4.550 -0.001 0.000 0.341 251 Y C 0.081 176.077 175.900 0.160 0.000 0.965 251 Y CA -0.875 57.331 58.100 0.176 0.000 1.067 251 Y CB 2.233 40.925 38.460 0.387 0.000 1.199 251 Y HN 0.135 nan 8.280 nan 0.000 0.450 252 S N 3.123 118.985 115.700 0.271 0.000 2.562 252 S HA 0.217 4.686 4.470 -0.001 0.000 0.275 252 S C -0.154 174.570 174.600 0.207 0.000 1.281 252 S CA -1.040 57.270 58.200 0.184 0.000 1.045 252 S CB 0.348 63.615 63.200 0.111 0.000 0.962 252 S HN 0.722 nan 8.310 nan 0.000 0.503 253 K N 0.979 121.476 120.400 0.161 0.000 3.071 253 K HA -0.225 4.094 4.320 -0.001 0.000 0.262 253 K C 0.469 177.150 176.600 0.135 0.000 0.977 253 K CA 0.770 57.124 56.287 0.113 0.000 0.721 253 K CB -1.837 30.685 32.500 0.036 0.000 1.293 253 K HN 0.760 nan 8.250 nan 0.000 0.475 254 W N 1.907 123.217 121.300 0.018 0.000 2.379 254 W HA -0.155 4.504 4.660 -0.001 0.000 0.307 254 W C 1.102 177.591 176.519 -0.051 0.000 1.200 254 W CA 2.073 59.408 57.345 -0.016 0.000 1.297 254 W CB -0.202 29.262 29.460 0.006 0.000 1.140 254 W HN 0.368 nan 8.180 nan 0.000 0.507 255 D N 0.053 120.632 120.400 0.299 0.000 2.097 255 D HA -0.177 4.462 4.640 -0.001 0.000 0.197 255 D C 2.358 178.615 176.300 -0.072 0.000 0.984 255 D CA 2.423 56.521 54.000 0.162 0.000 0.826 255 D CB -0.767 40.142 40.800 0.181 0.000 0.973 255 D HN 0.207 nan 8.370 nan 0.000 0.460 256 S N -0.434 115.135 115.700 -0.219 0.000 2.561 256 S HA -0.060 4.409 4.470 -0.001 0.000 0.225 256 S C 1.722 176.002 174.600 -0.533 0.000 0.977 256 S CA 1.377 59.113 58.200 -0.774 0.000 0.926 256 S CB -0.270 62.464 63.200 -0.778 0.000 0.769 256 S HN 0.325 nan 8.310 nan 0.000 0.533 257 T N -2.393 111.987 114.554 -0.290 0.000 2.955 257 T HA 0.365 4.714 4.350 -0.001 0.000 0.251 257 T C 0.462 175.031 174.700 -0.218 0.000 1.002 257 T CA -0.410 61.558 62.100 -0.220 0.000 0.970 257 T CB -0.536 68.235 68.868 -0.162 0.000 1.091 257 T HN 0.239 nan 8.240 nan 0.000 0.495 258 M N 3.778 123.202 119.600 -0.294 0.000 2.207 258 M HA 0.078 4.558 4.480 -0.001 0.000 0.392 258 M C -0.239 175.959 176.300 -0.170 0.000 1.286 258 M CA 0.095 55.205 55.300 -0.317 0.000 0.828 258 M CB -0.323 32.089 32.600 -0.314 0.000 1.903 258 M HN 0.163 nan 8.290 nan 0.000 0.499 259 S N 8.061 123.667 115.700 -0.156 0.000 2.528 259 S HA 0.207 4.676 4.470 -0.001 0.000 0.277 259 S C -1.611 172.963 174.600 -0.045 0.000 1.297 259 S CA -1.098 57.059 58.200 -0.072 0.000 1.052 259 S CB 0.803 63.968 63.200 -0.059 0.000 0.917 259 S HN 0.592 nan 8.310 nan 0.000 0.492 260 P HA -0.174 nan 4.420 nan 0.000 0.216 260 P C 1.731 179.026 177.300 -0.009 0.000 1.157 260 P CA 1.273 64.384 63.100 0.019 0.000 0.880 260 P CB -0.315 31.431 31.700 0.077 0.000 0.791 261 C N -2.526 116.769 119.300 -0.007 0.000 2.413 261 C HA -0.079 4.380 4.460 -0.001 0.000 0.277 261 C C 2.534 177.502 174.990 -0.037 0.000 1.265 261 C CA 0.511 59.518 59.018 -0.017 0.000 1.752 261 C CB -1.888 25.846 27.740 -0.009 0.000 1.998 261 C HN 0.074 nan 8.230 nan 0.000 0.489 262 V N 1.570 121.450 119.914 -0.056 0.000 2.358 262 V HA -0.165 3.955 4.120 -0.001 0.000 0.246 262 V C 2.862 178.926 176.094 -0.050 0.000 1.047 262 V CA 2.246 64.501 62.300 -0.074 0.000 1.035 262 V CB -0.820 30.931 31.823 -0.119 0.000 0.658 262 V HN 0.545 nan 8.190 nan 0.000 0.452 263 V N 0.092 119.981 119.914 -0.040 0.000 2.343 263 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 263 V C 2.586 178.670 176.094 -0.016 0.000 1.051 263 V CA 2.078 64.367 62.300 -0.019 0.000 1.036 263 V CB -0.870 30.950 31.823 -0.005 0.000 0.654 263 V HN 0.459 nan 8.190 nan 0.000 0.451 264 R N -0.348 120.140 120.500 -0.020 0.000 2.083 264 R HA -0.167 4.173 4.340 -0.001 0.000 0.237 264 R C 2.259 178.547 176.300 -0.020 0.000 1.137 264 R CA 1.613 57.702 56.100 -0.018 0.000 0.951 264 R CB -0.652 29.634 30.300 -0.024 0.000 0.851 264 R HN 0.379 nan 8.270 nan 0.000 0.434 265 L N 0.840 122.045 121.223 -0.029 0.000 2.046 265 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 265 L C 2.229 179.074 176.870 -0.042 0.000 1.077 265 L CA 2.002 56.820 54.840 -0.037 0.000 0.747 265 L CB -0.799 41.233 42.059 -0.046 0.000 0.896 265 L HN 0.163 nan 8.230 nan 0.000 0.432 266 A N -0.230 122.565 122.820 -0.041 0.000 1.883 266 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 266 A C 2.293 179.844 177.584 -0.055 0.000 1.186 266 A CA 2.283 54.291 52.037 -0.048 0.000 0.624 266 A CB -0.935 18.052 19.000 -0.022 0.000 0.822 266 A HN 0.521 nan 8.150 nan 0.000 0.444 267 I N -0.241 120.306 120.570 -0.039 0.000 2.226 267 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 267 I C 1.846 177.985 176.117 0.038 0.000 1.100 267 I CA 1.453 62.740 61.300 -0.021 0.000 1.374 267 I CB -0.411 37.601 38.000 0.020 0.000 1.057 267 I HN 0.236 nan 8.210 nan 0.000 0.413 268 D N 0.853 121.263 120.400 0.017 0.000 2.144 268 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 268 D C 2.238 178.543 176.300 0.009 0.000 0.984 268 D CA 1.339 55.350 54.000 0.018 0.000 0.834 268 D CB -0.119 40.679 40.800 -0.004 0.000 0.955 268 D HN 0.340 nan 8.370 nan 0.000 0.465 269 I N 0.143 120.701 120.570 -0.020 0.000 2.202 269 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 269 I C 2.261 178.368 176.117 -0.016 0.000 1.091 269 I CA 0.422 61.697 61.300 -0.041 0.000 1.368 269 I CB -0.055 37.888 38.000 -0.094 0.000 1.058 269 I HN -0.009 nan 8.210 nan 0.000 0.410 270 L N 0.911 122.126 121.223 -0.013 0.000 2.131 270 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 270 L C 2.365 179.345 176.870 0.185 0.000 1.092 270 L CA 1.896 56.746 54.840 0.017 0.000 0.759 270 L CB -0.615 41.348 42.059 -0.160 0.000 0.903 270 L HN 0.188 nan 8.230 nan 0.000 0.435 271 A N -1.429 121.522 122.820 0.217 0.000 2.072 271 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 271 A C 1.958 179.574 177.584 0.054 0.000 1.156 271 A CA 1.018 53.168 52.037 0.188 0.000 0.701 271 A CB -0.617 18.474 19.000 0.153 0.000 0.816 271 A HN 0.507 nan 8.150 nan 0.000 0.458 272 D N -0.944 119.477 120.400 0.035 0.000 2.265 272 D HA -0.136 4.503 4.640 -0.001 0.000 0.208 272 D C 1.129 177.429 176.300 0.000 0.000 0.977 272 D CA 1.569 55.573 54.000 0.006 0.000 0.871 272 D CB -0.257 40.541 40.800 -0.002 0.000 0.925 272 D HN 0.348 nan 8.370 nan 0.000 0.485 273 C N 0.149 119.455 119.300 0.010 0.000 2.884 273 C HA 0.420 4.880 4.460 -0.001 0.000 0.287 273 C C 0.394 175.382 174.990 -0.003 0.000 1.310 273 C CA -0.931 58.087 59.018 0.000 0.000 1.725 273 C CB -1.312 26.428 27.740 0.000 0.000 2.060 273 C HN 0.384 nan 8.230 nan 0.000 0.618 274 C N 1.402 120.696 119.300 -0.010 0.000 2.382 274 C HA 0.307 4.766 4.460 -0.001 0.000 0.363 274 C C 0.696 175.652 174.990 -0.058 0.000 1.213 274 C CA -0.523 58.469 59.018 -0.043 0.000 2.363 274 C CB 0.365 28.042 27.740 -0.105 0.000 2.397 274 C HN 0.555 nan 8.230 nan 0.000 0.573 275 E N 1.228 121.390 120.200 -0.062 0.000 2.529 275 E HA -0.069 4.280 4.350 -0.001 0.000 0.259 275 E C -0.177 176.377 176.600 -0.077 0.000 0.966 275 E CA 0.297 56.661 56.400 -0.059 0.000 0.937 275 E CB 0.496 30.165 29.700 -0.052 0.000 0.923 275 E HN 0.490 nan 8.360 nan 0.000 0.468 276 Q N 3.648 123.410 119.800 -0.063 0.000 3.026 276 Q HA 0.072 4.411 4.340 -0.001 0.000 0.258 276 Q C -0.036 175.920 176.000 -0.074 0.000 1.388 276 Q CA 0.056 55.819 55.803 -0.067 0.000 1.000 276 Q CB 0.039 28.747 28.738 -0.051 0.000 1.634 276 Q HN 0.540 nan 8.270 nan 0.000 0.571 277 T N -3.503 110.994 114.554 -0.095 0.000 2.922 277 T HA 0.350 4.699 4.350 -0.001 0.000 0.281 277 T C 1.091 175.718 174.700 -0.121 0.000 1.005 277 T CA -0.731 61.307 62.100 -0.102 0.000 0.982 277 T CB 1.539 70.339 68.868 -0.114 0.000 1.158 277 T HN 0.079 nan 8.240 nan 0.000 0.566 278 E N -0.269 119.853 120.200 -0.130 0.000 2.106 278 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 278 E C 1.917 178.410 176.600 -0.178 0.000 0.984 278 E CA 0.620 56.935 56.400 -0.141 0.000 0.806 278 E CB -0.413 29.202 29.700 -0.140 0.000 0.750 278 E HN 0.556 nan 8.360 nan 0.000 0.458 279 L N 1.249 122.337 121.223 -0.225 0.000 2.042 279 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 279 L C 2.184 178.913 176.870 -0.235 0.000 1.076 279 L CA 1.903 56.575 54.840 -0.281 0.000 0.749 279 L CB -0.965 40.877 42.059 -0.363 0.000 0.893 279 L HN 0.018 nan 8.230 nan 0.000 0.432 280 T N -0.295 114.128 114.554 -0.219 0.000 2.652 280 T HA -0.256 4.094 4.350 -0.001 0.000 0.267 280 T C 1.890 176.481 174.700 -0.183 0.000 1.039 280 T CA 1.826 63.783 62.100 -0.238 0.000 1.153 280 T CB -0.252 68.488 68.868 -0.213 0.000 0.863 280 T HN 0.353 nan 8.240 nan 0.000 0.428 281 K N 0.646 120.961 120.400 -0.141 0.000 2.074 281 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 281 K C 2.641 179.179 176.600 -0.103 0.000 1.048 281 K CA 1.732 57.956 56.287 -0.106 0.000 0.926 281 K CB -0.354 32.089 32.500 -0.096 0.000 0.713 281 K HN 0.259 nan 8.250 nan 0.000 0.444 282 S N -0.158 115.466 115.700 -0.126 0.000 2.368 282 S HA -0.090 4.379 4.470 -0.001 0.000 0.224 282 S C 1.920 176.464 174.600 -0.094 0.000 1.029 282 S CA 1.268 59.398 58.200 -0.116 0.000 0.988 282 S CB -0.130 62.983 63.200 -0.145 0.000 0.838 282 S HN 0.224 nan 8.310 nan 0.000 0.462 283 V N 1.426 121.274 119.914 -0.110 0.000 2.307 283 V HA -0.099 4.021 4.120 -0.001 0.000 0.245 283 V C 2.520 178.606 176.094 -0.014 0.000 1.045 283 V CA 1.708 63.969 62.300 -0.065 0.000 1.024 283 V CB -0.695 31.053 31.823 -0.125 0.000 0.651 283 V HN 0.417 nan 8.190 nan 0.000 0.449 284 V N -0.397 119.499 119.914 -0.029 0.000 2.287 284 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 284 V C 2.421 178.513 176.094 -0.004 0.000 1.053 284 V CA 1.830 64.146 62.300 0.027 0.000 1.027 284 V CB -0.601 31.226 31.823 0.006 0.000 0.646 284 V HN 0.382 nan 8.190 nan 0.000 0.447 285 L N -0.171 121.032 121.223 -0.032 0.000 2.046 285 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 285 L C 2.589 179.433 176.870 -0.043 0.000 1.077 285 L CA 2.369 57.187 54.840 -0.037 0.000 0.747 285 L CB -1.451 40.581 42.059 -0.046 0.000 0.896 285 L HN 0.369 nan 8.230 nan 0.000 0.432 286 T N -0.478 114.040 114.554 -0.059 0.000 2.674 286 T HA -0.152 4.198 4.350 -0.001 0.000 0.265 286 T C 1.925 176.460 174.700 -0.274 0.000 1.039 286 T CA 1.252 63.296 62.100 -0.092 0.000 1.150 286 T CB -0.268 68.558 68.868 -0.069 0.000 0.864 286 T HN 0.215 nan 8.240 nan 0.000 0.427 287 L N 0.206 121.277 121.223 -0.253 0.000 2.376 287 L HA 0.049 4.388 4.340 -0.001 0.000 0.219 287 L C 2.325 179.117 176.870 -0.130 0.000 1.133 287 L CA 1.051 55.684 54.840 -0.345 0.000 0.816 287 L CB -0.368 41.661 42.059 -0.049 0.000 0.933 287 L HN 0.206 nan 8.230 nan 0.000 0.449 288 K N -0.186 120.178 120.400 -0.060 0.000 2.379 288 K HA 0.028 4.347 4.320 -0.001 0.000 0.194 288 K C 1.031 177.606 176.600 -0.042 0.000 1.031 288 K CA 0.006 56.277 56.287 -0.027 0.000 1.037 288 K CB 0.353 32.836 32.500 -0.029 0.000 0.824 288 K HN 0.243 nan 8.250 nan 0.000 0.516 289 S N 0.530 116.241 115.700 0.019 0.000 2.610 289 S HA 0.122 4.591 4.470 -0.001 0.000 0.273 289 S C -0.055 174.658 174.600 0.190 0.000 1.274 289 S CA -0.878 57.348 58.200 0.043 0.000 1.023 289 S CB 0.538 63.814 63.200 0.126 0.000 0.962 289 S HN 0.140 nan 8.310 nan 0.000 0.523 290 H N 3.557 122.763 119.070 0.228 0.000 3.184 290 H HA 0.173 4.728 4.556 -0.001 0.000 0.274 290 H C -1.952 173.488 175.328 0.187 0.000 0.962 290 H CA -0.976 55.186 56.048 0.189 0.000 1.441 290 H CB -0.388 29.459 29.762 0.143 0.000 1.518 290 H HN 0.565 nan 8.280 nan 0.000 0.539 291 P HA 0.060 nan 4.420 nan 0.000 0.271 291 P C 0.113 177.521 177.300 0.181 0.000 1.216 291 P CA 0.053 63.110 63.100 -0.071 0.000 0.776 291 P CB 1.048 32.583 31.700 -0.275 0.000 0.881 292 M N 0.920 120.661 119.600 0.236 0.000 2.705 292 M HA 0.520 4.999 4.480 -0.001 0.000 0.311 292 M C 0.302 176.746 176.300 0.240 0.000 1.214 292 M CA -0.465 54.971 55.300 0.226 0.000 0.920 292 M CB 2.371 35.091 32.600 0.200 0.000 1.687 292 M HN 0.266 nan 8.290 nan 0.000 0.481 293 T N 1.250 115.850 114.554 0.077 0.000 2.956 293 T HA 0.615 4.964 4.350 -0.001 0.000 0.312 293 T C -1.437 173.189 174.700 -0.123 0.000 1.151 293 T CA -0.598 61.465 62.100 -0.061 0.000 1.024 293 T CB 1.089 69.729 68.868 -0.380 0.000 1.140 293 T HN 0.536 nan 8.240 nan 0.000 0.473 294 I N 6.148 126.620 120.570 -0.163 0.000 2.291 294 I HA 0.225 4.394 4.170 -0.001 0.000 0.290 294 I C 0.742 176.754 176.117 -0.176 0.000 1.050 294 I CA -0.579 60.617 61.300 -0.174 0.000 1.245 294 I CB 1.277 39.129 38.000 -0.247 0.000 1.405 294 I HN 0.523 nan 8.210 nan 0.000 0.478 295 L N 5.880 127.015 121.223 -0.146 0.000 1.947 295 L HA -0.005 4.335 4.340 -0.001 0.000 0.211 295 L C 1.274 178.076 176.870 -0.114 0.000 1.098 295 L CA 2.138 56.896 54.840 -0.137 0.000 0.767 295 L CB -0.337 41.658 42.059 -0.107 0.000 0.891 295 L HN 0.671 nan 8.230 nan 0.000 0.436 296 D N -1.687 118.657 120.400 -0.092 0.000 3.051 296 D HA 0.220 4.859 4.640 -0.001 0.000 0.216 296 D C 0.946 177.199 176.300 -0.079 0.000 1.454 296 D CA 0.758 54.708 54.000 -0.084 0.000 1.400 296 D CB 0.256 41.012 40.800 -0.073 0.000 0.975 296 D HN 0.251 nan 8.370 nan 0.000 0.212 297 A N 0.719 123.500 122.820 -0.064 0.000 2.462 297 A HA 0.407 4.726 4.320 -0.001 0.000 0.261 297 A C 0.710 178.273 177.584 -0.036 0.000 1.323 297 A CA -0.154 51.853 52.037 -0.050 0.000 0.913 297 A CB -0.821 18.155 19.000 -0.040 0.000 1.028 297 A HN 0.427 nan 8.150 nan 0.000 0.511 298 M N -1.105 118.469 119.600 -0.042 0.000 2.465 298 M HA 0.759 5.239 4.480 -0.001 0.000 0.316 298 M C -1.353 174.938 176.300 -0.014 0.000 1.121 298 M CA -0.721 54.572 55.300 -0.012 0.000 0.934 298 M CB 1.764 34.356 32.600 -0.013 0.000 1.692 298 M HN 0.066 nan 8.290 nan 0.000 0.444 299 I N 4.071 124.663 120.570 0.037 0.000 2.406 299 I HA 0.613 4.783 4.170 -0.001 0.000 0.290 299 I C -1.595 174.575 176.117 0.088 0.000 0.999 299 I CA -0.861 60.460 61.300 0.035 0.000 1.124 299 I CB 1.595 39.621 38.000 0.044 0.000 1.289 299 I HN 0.680 nan 8.210 nan 0.000 0.441 300 V N 6.878 126.820 119.914 0.048 0.000 2.459 300 V HA 0.447 4.566 4.120 -0.001 0.000 0.295 300 V C -0.222 175.926 176.094 0.090 0.000 1.029 300 V CA -0.647 61.693 62.300 0.067 0.000 0.874 300 V CB 1.460 33.281 31.823 -0.004 0.000 0.985 300 V HN 0.702 nan 8.190 nan 0.000 0.438 301 Q N 1.888 121.761 119.800 0.122 0.000 2.185 301 Q HA 0.774 5.113 4.340 -0.001 0.000 0.225 301 Q C 0.198 176.276 176.000 0.130 0.000 0.983 301 Q CA -0.430 55.449 55.803 0.126 0.000 0.950 301 Q CB 1.520 30.327 28.738 0.114 0.000 1.176 301 Q HN 1.018 nan 8.270 nan 0.000 0.510 302 T N -3.174 111.461 114.554 0.134 0.000 2.883 302 T HA 0.617 4.966 4.350 -0.001 0.000 0.301 302 T C -0.166 174.562 174.700 0.046 0.000 1.158 302 T CA -0.953 61.243 62.100 0.160 0.000 1.007 302 T CB 1.420 70.436 68.868 0.247 0.000 1.186 302 T HN 0.499 nan 8.240 nan 0.000 0.499 303 K N -0.121 120.315 120.400 0.059 0.000 2.477 303 K HA 0.245 4.565 4.320 -0.001 0.000 0.208 303 K C 0.570 177.229 176.600 0.100 0.000 1.117 303 K CA -0.384 55.870 56.287 -0.055 0.000 1.039 303 K CB 0.894 33.358 32.500 -0.061 0.000 0.937 303 K HN 0.728 nan 8.250 nan 0.000 0.570 304 R N -0.713 119.881 120.500 0.157 0.000 2.756 304 R HA 0.489 4.828 4.340 -0.001 0.000 0.273 304 R C -0.945 175.435 176.300 0.133 0.000 1.030 304 R CA -0.025 56.142 56.100 0.113 0.000 0.887 304 R CB 0.669 30.988 30.300 0.031 0.000 1.274 304 R HN 0.032 nan 8.270 nan 0.000 0.461 305 G N 0.108 108.917 108.800 0.014 0.000 2.781 305 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.683 305 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.683 305 G C -1.426 173.478 174.900 0.007 0.000 1.390 305 G CA -0.254 44.835 45.100 -0.019 0.000 0.850 305 G HN 0.592 nan 8.290 nan 0.000 0.557 306 L N 1.775 122.974 121.223 -0.040 0.000 2.372 306 L HA 0.460 4.800 4.340 -0.001 0.000 0.273 306 L C -2.115 174.574 176.870 -0.301 0.000 0.989 306 L CA -2.022 52.753 54.840 -0.108 0.000 0.841 306 L CB 2.266 44.318 42.059 -0.012 0.000 1.225 306 L HN 0.381 nan 8.230 nan 0.000 0.414 307 P HA -0.015 nan 4.420 nan 0.000 0.262 307 P C 0.566 177.546 177.300 -0.534 0.000 1.182 307 P CA 0.173 62.492 63.100 -1.303 0.000 0.761 307 P CB 0.725 31.563 31.700 -1.436 0.000 0.795 308 S N 1.776 117.253 115.700 -0.371 0.000 2.555 308 S HA -0.000 4.469 4.470 -0.001 0.000 0.230 308 S C 1.625 176.264 174.600 0.064 0.000 0.978 308 S CA 0.792 58.980 58.200 -0.020 0.000 0.934 308 S CB -0.690 62.575 63.200 0.108 0.000 0.766 308 S HN 0.528 nan 8.310 nan 0.000 0.533 309 G N 0.751 109.604 108.800 0.089 0.000 3.277 309 G HA2 0.323 4.283 3.960 -0.001 0.000 0.243 309 G HA3 0.323 4.283 3.960 -0.001 0.000 0.243 309 G C 0.123 175.231 174.900 0.347 0.000 1.107 309 G CA -0.609 44.637 45.100 0.243 0.000 0.771 309 G HN 0.534 nan 8.290 nan 0.000 0.544 310 M N 1.900 121.650 119.600 0.249 0.000 2.252 310 M HA 0.255 4.734 4.480 -0.001 0.000 0.348 310 M C -2.301 174.137 176.300 0.230 0.000 1.334 310 M CA -1.310 54.201 55.300 0.351 0.000 1.071 310 M CB 0.849 33.591 32.600 0.238 0.000 1.763 310 M HN -0.202 nan 8.290 nan 0.000 0.452 311 P HA -0.016 nan 4.420 nan 0.000 0.262 311 P C -0.875 176.544 177.300 0.198 0.000 1.182 311 P CA 0.513 63.681 63.100 0.112 0.000 0.761 311 P CB -0.121 31.742 31.700 0.270 0.000 0.795 312 F N 0.231 120.227 119.950 0.076 0.000 3.074 312 F HA -0.254 4.272 4.527 -0.001 0.000 0.289 312 F C 1.591 177.376 175.800 -0.026 0.000 0.863 312 F CA 0.972 58.970 58.000 -0.002 0.000 1.121 312 F CB -2.942 36.003 39.000 -0.092 0.000 1.169 312 F HN 0.273 nan 8.300 nan 0.000 0.570 313 T N -1.572 113.046 114.554 0.106 0.000 2.759 313 T HA -0.209 4.140 4.350 -0.001 0.000 0.269 313 T C 1.920 176.672 174.700 0.087 0.000 1.042 313 T CA 1.955 64.111 62.100 0.094 0.000 1.140 313 T CB -0.112 68.805 68.868 0.082 0.000 0.864 313 T HN 0.540 nan 8.240 nan 0.000 0.455 314 S N 0.623 116.362 115.700 0.066 0.000 2.368 314 S HA -0.061 4.408 4.470 -0.001 0.000 0.225 314 S C 2.258 176.842 174.600 -0.026 0.000 1.030 314 S CA 0.788 58.997 58.200 0.015 0.000 0.999 314 S CB -0.428 62.737 63.200 -0.058 0.000 0.844 314 S HN 0.272 nan 8.310 nan 0.000 0.459 315 V N 2.020 121.937 119.914 0.004 0.000 2.323 315 V HA -0.091 4.028 4.120 -0.001 0.000 0.244 315 V C 2.059 178.163 176.094 0.016 0.000 1.041 315 V CA 1.410 63.708 62.300 -0.003 0.000 1.025 315 V CB -0.581 31.250 31.823 0.013 0.000 0.656 315 V HN 0.435 nan 8.190 nan 0.000 0.451 316 I N 0.389 120.965 120.570 0.009 0.000 2.315 316 I HA -0.207 3.963 4.170 -0.001 0.000 0.248 316 I C 2.399 178.571 176.117 0.092 0.000 1.117 316 I CA 1.397 62.699 61.300 0.004 0.000 1.404 316 I CB -0.480 37.502 38.000 -0.030 0.000 1.071 316 I HN 0.329 nan 8.210 nan 0.000 0.419 317 N N 0.558 119.341 118.700 0.139 0.000 2.188 317 N HA -0.113 4.626 4.740 -0.001 0.000 0.184 317 N C 1.948 177.640 175.510 0.304 0.000 1.018 317 N CA 1.253 54.459 53.050 0.260 0.000 0.858 317 N CB 0.002 38.643 38.487 0.258 0.000 0.989 317 N HN 0.137 nan 8.380 nan 0.000 0.426 318 S N 0.339 116.156 115.700 0.196 0.000 2.402 318 S HA 0.060 4.530 4.470 -0.001 0.000 0.229 318 S C 2.016 176.798 174.600 0.303 0.000 1.021 318 S CA 0.432 58.758 58.200 0.212 0.000 0.974 318 S CB 0.045 63.294 63.200 0.082 0.000 0.800 318 S HN 0.321 nan 8.310 nan 0.000 0.484 319 I N 0.789 121.495 120.570 0.226 0.000 2.286 319 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 319 I C 2.291 178.555 176.117 0.245 0.000 1.104 319 I CA 0.639 62.063 61.300 0.207 0.000 1.397 319 I CB -0.421 37.605 38.000 0.042 0.000 1.072 319 I HN 0.346 nan 8.210 nan 0.000 0.417 320 C N -0.197 119.243 119.300 0.234 0.000 2.398 320 C HA -0.273 4.186 4.460 -0.001 0.000 0.276 320 C C 2.750 177.961 174.990 0.368 0.000 1.222 320 C CA 1.499 60.647 59.018 0.217 0.000 1.746 320 C CB -1.533 26.316 27.740 0.182 0.000 2.039 320 C HN 0.538 nan 8.230 nan 0.000 0.470 321 H N -1.361 117.988 119.070 0.465 0.000 2.319 321 H HA -0.249 4.306 4.556 -0.001 0.000 0.299 321 H C 2.263 177.875 175.328 0.473 0.000 1.092 321 H CA 1.933 58.296 56.048 0.524 0.000 1.302 321 H CB -0.226 29.749 29.762 0.355 0.000 1.373 321 H HN 0.635 nan 8.280 nan 0.000 0.497 322 W N 1.680 123.244 121.300 0.439 0.000 2.318 322 W HA -0.247 4.412 4.660 -0.001 0.000 0.313 322 W C 1.906 178.579 176.519 0.257 0.000 1.221 322 W CA 1.605 59.199 57.345 0.414 0.000 1.266 322 W CB -0.957 28.672 29.460 0.281 0.000 1.150 322 W HN 0.306 nan 8.180 nan 0.000 0.496 323 L N 0.024 121.495 121.223 0.414 0.000 2.012 323 L HA -0.281 4.059 4.340 -0.001 0.000 0.210 323 L C 2.677 179.593 176.870 0.077 0.000 1.073 323 L CA 1.576 56.511 54.840 0.158 0.000 0.748 323 L CB -1.155 40.917 42.059 0.023 0.000 0.891 323 L HN -0.049 nan 8.230 nan 0.000 0.431 324 L N -1.679 119.595 121.223 0.085 0.000 2.131 324 L HA -0.198 4.142 4.340 -0.001 0.000 0.206 324 L C 2.455 179.374 176.870 0.083 0.000 1.087 324 L CA 0.988 55.797 54.840 -0.052 0.000 0.767 324 L CB -0.655 41.345 42.059 -0.099 0.000 0.917 324 L HN 0.535 nan 8.230 nan 0.000 0.441 325 W N 1.253 122.560 121.300 0.011 0.000 2.354 325 W HA -0.213 4.447 4.660 -0.001 0.000 0.315 325 W C 2.310 178.653 176.519 -0.293 0.000 1.206 325 W CA 1.706 58.953 57.345 -0.163 0.000 1.290 325 W CB -0.101 29.195 29.460 -0.273 0.000 1.152 325 W HN 0.090 nan 8.180 nan 0.000 0.489 326 S N 1.218 116.678 115.700 -0.401 0.000 2.359 326 S HA -0.182 4.287 4.470 -0.001 0.000 0.224 326 S C 2.137 176.289 174.600 -0.746 0.000 1.035 326 S CA 1.832 59.632 58.200 -0.666 0.000 1.018 326 S CB -0.921 62.178 63.200 -0.168 0.000 0.876 326 S HN 0.407 nan 8.310 nan 0.000 0.448 327 A N 1.782 124.445 122.820 -0.262 0.000 1.877 327 A HA 0.073 4.393 4.320 -0.001 0.000 0.216 327 A C 2.405 179.997 177.584 0.014 0.000 1.186 327 A CA 1.805 53.851 52.037 0.015 0.000 0.620 327 A CB -1.267 17.739 19.000 0.010 0.000 0.822 327 A HN 0.523 nan 8.150 nan 0.000 0.443 328 A N -0.513 122.306 122.820 -0.002 0.000 1.892 328 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 328 A C 2.256 179.619 177.584 -0.369 0.000 1.188 328 A CA 2.136 54.116 52.037 -0.095 0.000 0.631 328 A CB -1.067 17.871 19.000 -0.103 0.000 0.822 328 A HN 0.464 nan 8.150 nan 0.000 0.447 329 V N -1.337 118.195 119.914 -0.637 0.000 2.307 329 V HA -0.251 3.868 4.120 -0.001 0.000 0.245 329 V C 2.425 178.310 176.094 -0.349 0.000 1.045 329 V CA 1.862 63.793 62.300 -0.614 0.000 1.024 329 V CB -1.136 30.174 31.823 -0.855 0.000 0.651 329 V HN 0.616 nan 8.190 nan 0.000 0.449 330 Y N 0.839 120.957 120.300 -0.303 0.000 2.128 330 Y HA -0.230 4.319 4.550 -0.001 0.000 0.284 330 Y C 2.532 178.076 175.900 -0.593 0.000 1.154 330 Y CA 1.529 59.472 58.100 -0.261 0.000 1.149 330 Y CB -0.873 37.587 38.460 0.000 0.000 0.976 330 Y HN 0.220 nan 8.280 nan 0.000 0.505 331 K N -0.097 119.836 120.400 -0.778 0.000 2.057 331 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 331 K C 2.158 178.394 176.600 -0.607 0.000 1.049 331 K CA 1.590 57.093 56.287 -1.307 0.000 0.931 331 K CB -0.092 31.871 32.500 -0.895 0.000 0.714 331 K HN 0.193 nan 8.250 nan 0.000 0.440 332 S N 0.265 115.733 115.700 -0.388 0.000 2.383 332 S HA -0.145 4.324 4.470 -0.001 0.000 0.227 332 S C 2.112 176.600 174.600 -0.187 0.000 1.026 332 S CA 1.162 59.212 58.200 -0.251 0.000 0.981 332 S CB -0.332 62.736 63.200 -0.220 0.000 0.818 332 S HN 0.433 nan 8.310 nan 0.000 0.472 333 C N 1.791 120.985 119.300 -0.177 0.000 2.446 333 C HA 0.100 4.560 4.460 -0.001 0.000 0.277 333 C C 3.094 178.037 174.990 -0.078 0.000 1.275 333 C CA 0.393 59.352 59.018 -0.099 0.000 1.727 333 C CB -1.490 26.215 27.740 -0.058 0.000 2.010 333 C HN 0.678 nan 8.230 nan 0.000 0.486 334 A N 0.611 123.364 122.820 -0.113 0.000 1.933 334 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 334 A C 1.933 179.506 177.584 -0.019 0.000 1.175 334 A CA 1.592 53.617 52.037 -0.019 0.000 0.628 334 A CB -0.561 18.478 19.000 0.064 0.000 0.814 334 A HN 0.722 nan 8.150 nan 0.000 0.444 335 E N -0.888 119.263 120.200 -0.083 0.000 2.338 335 E HA -0.004 4.346 4.350 -0.001 0.000 0.197 335 E C 1.373 177.951 176.600 -0.036 0.000 1.007 335 E CA 0.588 56.955 56.400 -0.055 0.000 0.849 335 E CB -0.018 29.629 29.700 -0.089 0.000 0.774 335 E HN 0.712 nan 8.360 nan 0.000 0.506 336 I N -0.917 119.630 120.570 -0.037 0.000 3.941 336 I HA 0.174 4.344 4.170 -0.001 0.000 0.335 336 I C 0.643 176.756 176.117 -0.007 0.000 1.402 336 I CA 0.505 61.790 61.300 -0.024 0.000 1.112 336 I CB 0.003 37.983 38.000 -0.033 0.000 1.043 336 I HN 0.214 nan 8.210 nan 0.000 0.395 337 G N 1.976 110.779 108.800 0.005 0.000 2.148 337 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 337 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 337 G C 0.066 174.989 174.900 0.038 0.000 0.981 337 G CA 0.121 45.236 45.100 0.025 0.000 0.670 337 G HN 0.378 nan 8.290 nan 0.000 0.528 338 L N 0.688 121.929 121.223 0.030 0.000 2.287 338 L HA 0.433 4.772 4.340 -0.001 0.000 0.287 338 L C 0.479 177.391 176.870 0.069 0.000 1.022 338 L CA -1.060 53.807 54.840 0.045 0.000 0.814 338 L CB 1.350 43.419 42.059 0.018 0.000 1.217 338 L HN 0.315 nan 8.230 nan 0.000 0.420 339 H N 2.793 121.871 119.070 0.014 0.000 2.800 339 H HA 0.203 4.759 4.556 -0.001 0.000 0.291 339 H C -0.593 174.735 175.328 -0.001 0.000 1.076 339 H CA 0.035 56.090 56.048 0.011 0.000 1.452 339 H CB 0.947 30.707 29.762 -0.002 0.000 1.461 339 H HN 0.638 nan 8.280 nan 0.000 0.488 340 C N 5.358 124.490 119.300 -0.281 0.000 2.493 340 C HA 0.832 5.291 4.460 -0.001 0.000 0.326 340 C C -0.598 174.210 174.990 -0.303 0.000 1.200 340 C CA 0.275 59.232 59.018 -0.102 0.000 1.739 340 C CB 0.087 27.873 27.740 0.077 0.000 2.300 340 C HN 1.017 nan 8.230 nan 0.000 0.500 341 S N 2.296 117.981 115.700 -0.025 0.000 2.656 341 S HA 0.529 4.998 4.470 -0.001 0.000 0.273 341 S C -0.542 174.182 174.600 0.207 0.000 1.168 341 S CA -0.546 57.626 58.200 -0.045 0.000 0.817 341 S CB 0.605 63.796 63.200 -0.015 0.000 1.146 341 S HN 1.004 nan 8.310 nan 0.000 0.475 342 N N -0.235 118.616 118.700 0.251 0.000 2.716 342 N HA -0.192 4.547 4.740 -0.001 0.000 0.250 342 N C 0.571 176.198 175.510 0.195 0.000 1.033 342 N CA 0.607 53.778 53.050 0.202 0.000 0.727 342 N CB -1.152 37.358 38.487 0.039 0.000 0.950 342 N HN 0.575 nan 8.380 nan 0.000 0.541 343 L N 0.561 122.027 121.223 0.404 0.000 2.013 343 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 343 L C 2.237 179.305 176.870 0.330 0.000 1.073 343 L CA 2.000 57.022 54.840 0.303 0.000 0.753 343 L CB -0.585 41.556 42.059 0.138 0.000 0.890 343 L HN 0.538 nan 8.230 nan 0.000 0.432 344 Y N -1.051 119.453 120.300 0.341 0.000 2.465 344 Y HA -0.120 4.430 4.550 -0.001 0.000 0.289 344 Y C 1.906 177.759 175.900 -0.079 0.000 1.150 344 Y CA 1.442 59.538 58.100 -0.007 0.000 1.293 344 Y CB -0.907 37.283 38.460 -0.449 0.000 0.977 344 Y HN 0.390 nan 8.280 nan 0.000 0.556 345 E N -0.070 119.821 120.200 -0.515 0.000 2.201 345 E HA -0.061 4.289 4.350 -0.001 0.000 0.193 345 E C 1.284 177.795 176.600 -0.148 0.000 0.957 345 E CA 0.663 56.817 56.400 -0.411 0.000 0.858 345 E CB 0.075 29.481 29.700 -0.489 0.000 0.816 345 E HN 0.396 nan 8.360 nan 0.000 0.475 346 D N 0.469 120.835 120.400 -0.058 0.000 2.194 346 D HA 0.008 4.648 4.640 -0.001 0.000 0.204 346 D C 0.180 176.503 176.300 0.038 0.000 0.964 346 D CA 0.753 54.755 54.000 0.002 0.000 0.846 346 D CB 0.386 41.208 40.800 0.037 0.000 0.962 346 D HN 0.071 nan 8.370 nan 0.000 0.490 347 A N 0.909 123.785 122.820 0.093 0.000 2.943 347 A HA 0.470 4.789 4.320 -0.001 0.000 0.327 347 A C -2.658 175.063 177.584 0.229 0.000 1.141 347 A CA -1.217 50.913 52.037 0.155 0.000 0.773 347 A CB 0.773 19.892 19.000 0.198 0.000 1.143 347 A HN -0.168 nan 8.150 nan 0.000 0.463 348 P HA 0.287 nan 4.420 nan 0.000 0.264 348 P C -0.564 176.775 177.300 0.064 0.000 1.179 348 P CA 0.753 63.823 63.100 -0.051 0.000 0.763 348 P CB 0.045 31.705 31.700 -0.066 0.000 0.806 349 F N 0.602 120.404 119.950 -0.247 0.000 2.662 349 F HA 0.713 5.239 4.527 -0.001 0.000 0.312 349 F C -1.547 173.884 175.800 -0.615 0.000 1.113 349 F CA -1.324 56.511 58.000 -0.274 0.000 0.951 349 F CB 1.026 39.989 39.000 -0.061 0.000 1.344 349 F HN 0.152 nan 8.300 nan 0.000 0.462 350 Y N -0.416 119.663 120.300 -0.368 0.000 2.499 350 Y HA 0.716 5.266 4.550 -0.001 0.000 0.347 350 Y C -0.149 175.552 175.900 -0.332 0.000 0.987 350 Y CA -1.021 56.817 58.100 -0.437 0.000 1.044 350 Y CB 2.615 40.727 38.460 -0.580 0.000 1.245 350 Y HN 0.808 nan 8.280 nan 0.000 0.461 351 T N 2.136 116.711 114.554 0.036 0.000 2.916 351 T HA 0.408 4.757 4.350 -0.001 0.000 0.298 351 T C -2.291 172.545 174.700 0.226 0.000 1.031 351 T CA -0.646 61.448 62.100 -0.009 0.000 0.993 351 T CB 0.737 69.537 68.868 -0.113 0.000 1.045 351 T HN 0.424 nan 8.240 nan 0.000 0.454 352 Y N 2.708 123.060 120.300 0.087 0.000 2.422 352 Y HA 0.478 5.027 4.550 -0.001 0.000 0.344 352 Y C 0.540 176.419 175.900 -0.035 0.000 1.097 352 Y CA 0.168 58.282 58.100 0.024 0.000 1.307 352 Y CB 0.333 38.746 38.460 -0.077 0.000 1.102 352 Y HN 1.001 nan 8.280 nan 0.000 0.520 353 G N 4.416 113.336 108.800 0.200 0.000 2.622 353 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.307 353 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.307 353 G C 0.548 175.330 174.900 -0.195 0.000 1.226 353 G CA 0.904 46.051 45.100 0.078 0.000 0.997 353 G HN 0.767 nan 8.290 nan 0.000 0.551 354 D N 0.995 121.112 120.400 -0.473 0.000 2.328 354 D HA 0.258 4.897 4.640 -0.001 0.000 0.226 354 D C 0.343 176.529 176.300 -0.191 0.000 1.066 354 D CA 0.704 54.132 54.000 -0.953 0.000 0.861 354 D CB 0.216 40.521 40.800 -0.826 0.000 0.912 354 D HN 0.336 nan 8.370 nan 0.000 0.521 355 D N 0.075 120.484 120.400 0.016 0.000 2.233 355 D HA 0.556 5.195 4.640 -0.001 0.000 0.240 355 D C -0.303 176.161 176.300 0.274 0.000 1.074 355 D CA -0.393 53.687 54.000 0.133 0.000 0.838 355 D CB 1.531 42.309 40.800 -0.036 0.000 1.124 355 D HN 0.170 nan 8.370 nan 0.000 0.475 356 G N 1.016 109.933 108.800 0.195 0.000 2.620 356 G HA2 0.547 4.506 3.960 -0.001 0.000 0.301 356 G HA3 0.547 4.506 3.960 -0.001 0.000 0.301 356 G C -1.607 172.826 174.900 -0.777 0.000 1.347 356 G CA -0.540 44.353 45.100 -0.344 0.000 0.971 356 G HN 0.368 nan 8.290 nan 0.000 0.488 357 V N 1.840 121.048 119.914 -1.177 0.000 2.623 357 V HA 0.782 4.902 4.120 -0.001 0.000 0.304 357 V C -1.796 173.773 176.094 -0.876 0.000 1.054 357 V CA -0.890 60.828 62.300 -0.969 0.000 0.882 357 V CB 1.226 32.601 31.823 -0.747 0.000 1.002 357 V HN 0.694 nan 8.190 nan 0.000 0.424 358 Y N 4.564 124.727 120.300 -0.228 0.000 2.425 358 Y HA 0.827 5.377 4.550 -0.001 0.000 0.344 358 Y C 0.485 176.452 175.900 0.111 0.000 0.969 358 Y CA -0.599 57.421 58.100 -0.133 0.000 1.052 358 Y CB 1.821 39.941 38.460 -0.567 0.000 1.215 358 Y HN 0.821 nan 8.280 nan 0.000 0.451 359 A N 4.276 127.300 122.820 0.340 0.000 2.407 359 A HA 0.617 4.936 4.320 -0.001 0.000 0.248 359 A C -0.323 177.333 177.584 0.119 0.000 1.082 359 A CA -0.295 51.858 52.037 0.193 0.000 0.785 359 A CB 0.167 19.265 19.000 0.164 0.000 1.020 359 A HN 0.686 nan 8.150 nan 0.000 0.489 360 M N 2.559 122.102 119.600 -0.096 0.000 2.085 360 M HA 0.239 4.718 4.480 -0.001 0.000 0.309 360 M C -0.004 176.249 176.300 -0.080 0.000 0.947 360 M CA -0.157 55.131 55.300 -0.020 0.000 0.918 360 M CB 0.764 33.361 32.600 -0.005 0.000 1.504 360 M HN 0.716 nan 8.290 nan 0.000 0.420 361 T N 4.335 118.876 114.554 -0.021 0.000 2.903 361 T HA 0.109 4.458 4.350 -0.001 0.000 0.314 361 T C -1.429 173.252 174.700 -0.031 0.000 1.078 361 T CA -0.507 61.577 62.100 -0.028 0.000 1.114 361 T CB 0.624 69.491 68.868 -0.002 0.000 0.987 361 T HN 0.392 nan 8.240 nan 0.000 0.548 362 P HA -0.124 nan 4.420 nan 0.000 0.216 362 P C 1.572 178.861 177.300 -0.019 0.000 1.150 362 P CA 0.850 63.935 63.100 -0.025 0.000 0.843 362 P CB 0.032 31.720 31.700 -0.020 0.000 0.787 363 M N -1.601 117.989 119.600 -0.017 0.000 2.132 363 M HA -0.095 4.385 4.480 -0.001 0.000 0.263 363 M C 1.995 178.279 176.300 -0.026 0.000 1.065 363 M CA 1.895 57.184 55.300 -0.019 0.000 1.122 363 M CB -1.023 31.568 32.600 -0.016 0.000 1.365 363 M HN -0.200 nan 8.290 nan 0.000 0.411 364 M N -1.250 118.335 119.600 -0.025 0.000 2.117 364 M HA -0.192 4.287 4.480 -0.001 0.000 0.262 364 M C 1.959 178.254 176.300 -0.007 0.000 1.065 364 M CA 1.383 56.667 55.300 -0.028 0.000 1.114 364 M CB -0.567 32.031 32.600 -0.004 0.000 1.361 364 M HN 0.166 nan 8.290 nan 0.000 0.408 365 V N -0.421 119.493 119.914 -0.001 0.000 2.287 365 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 365 V C 2.332 178.426 176.094 -0.000 0.000 1.053 365 V CA 2.191 64.495 62.300 0.006 0.000 1.027 365 V CB -0.800 31.020 31.823 -0.006 0.000 0.646 365 V HN 0.434 nan 8.190 nan 0.000 0.447 366 S N -0.587 115.106 115.700 -0.011 0.000 2.419 366 S HA -0.021 4.449 4.470 -0.001 0.000 0.233 366 S C 1.587 176.174 174.600 -0.022 0.000 1.016 366 S CA 1.136 59.327 58.200 -0.015 0.000 0.974 366 S CB -0.236 62.954 63.200 -0.018 0.000 0.786 366 S HN 0.467 nan 8.310 nan 0.000 0.492 367 L N 1.002 122.207 121.223 -0.031 0.000 2.628 367 L HA 0.177 4.516 4.340 -0.001 0.000 0.229 367 L C 1.678 178.522 176.870 -0.044 0.000 1.137 367 L CA -0.096 54.714 54.840 -0.050 0.000 0.909 367 L CB -0.076 41.935 42.059 -0.079 0.000 1.137 367 L HN 0.250 nan 8.230 nan 0.000 0.470 368 L N 1.521 122.737 121.223 -0.013 0.000 1.990 368 L HA -0.140 4.199 4.340 -0.001 0.000 0.213 368 L C -0.504 176.373 176.870 0.010 0.000 1.072 368 L CA 2.415 57.264 54.840 0.016 0.000 0.755 368 L CB -1.275 40.810 42.059 0.043 0.000 0.889 368 L HN 0.116 nan 8.230 nan 0.000 0.432 369 P HA -0.142 nan 4.420 nan 0.000 0.216 369 P C 1.450 178.737 177.300 -0.022 0.000 1.150 369 P CA 2.028 65.125 63.100 -0.004 0.000 0.837 369 P CB -0.208 31.484 31.700 -0.013 0.000 0.786 370 A N -1.040 121.753 122.820 -0.044 0.000 1.968 370 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 370 A C 2.196 179.724 177.584 -0.094 0.000 1.169 370 A CA 1.057 53.050 52.037 -0.073 0.000 0.638 370 A CB -1.467 17.480 19.000 -0.088 0.000 0.812 370 A HN 0.097 nan 8.150 nan 0.000 0.446 371 I N 0.007 120.523 120.570 -0.090 0.000 2.179 371 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 371 I C 2.136 178.238 176.117 -0.025 0.000 1.088 371 I CA 0.842 62.074 61.300 -0.114 0.000 1.357 371 I CB -0.254 37.664 38.000 -0.136 0.000 1.051 371 I HN 0.219 nan 8.210 nan 0.000 0.409 372 I N 0.612 121.199 120.570 0.029 0.000 2.163 372 I HA -0.259 3.910 4.170 -0.001 0.000 0.243 372 I C 2.592 178.730 176.117 0.035 0.000 1.085 372 I CA 1.602 62.944 61.300 0.070 0.000 1.347 372 I CB -1.427 36.615 38.000 0.070 0.000 1.044 372 I HN 0.266 nan 8.210 nan 0.000 0.408 373 E N 0.775 120.969 120.200 -0.010 0.000 2.077 373 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 373 E C 1.937 178.484 176.600 -0.088 0.000 0.989 373 E CA 0.890 57.267 56.400 -0.038 0.000 0.800 373 E CB -0.506 29.163 29.700 -0.051 0.000 0.746 373 E HN 0.478 nan 8.360 nan 0.000 0.452 374 N N 0.500 119.120 118.700 -0.133 0.000 2.244 374 N HA -0.072 4.668 4.740 -0.001 0.000 0.183 374 N C 2.035 177.408 175.510 -0.228 0.000 1.016 374 N CA 0.470 53.362 53.050 -0.262 0.000 0.866 374 N CB -0.183 38.130 38.487 -0.290 0.000 0.980 374 N HN 0.180 nan 8.380 nan 0.000 0.430 375 L N 0.856 122.074 121.223 -0.009 0.000 2.046 375 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 375 L C 2.469 179.402 176.870 0.106 0.000 1.077 375 L CA 1.070 56.002 54.840 0.153 0.000 0.747 375 L CB -0.235 41.984 42.059 0.267 0.000 0.896 375 L HN 0.100 nan 8.230 nan 0.000 0.432 376 R N -0.123 120.409 120.500 0.053 0.000 2.091 376 R HA -0.174 4.166 4.340 -0.001 0.000 0.238 376 R C 1.746 178.036 176.300 -0.018 0.000 1.136 376 R CA 1.570 57.691 56.100 0.034 0.000 0.959 376 R CB -0.467 29.845 30.300 0.021 0.000 0.856 376 R HN 0.327 nan 8.270 nan 0.000 0.437 377 D N -0.464 119.872 120.400 -0.107 0.000 2.310 377 D HA -0.118 4.522 4.640 -0.001 0.000 0.212 377 D C 0.969 177.184 176.300 -0.142 0.000 0.965 377 D CA 0.979 54.884 54.000 -0.158 0.000 0.879 377 D CB 0.002 40.656 40.800 -0.243 0.000 0.921 377 D HN 0.229 nan 8.370 nan 0.000 0.510 378 Y N -0.372 119.913 120.300 -0.026 0.000 2.490 378 Y HA 0.273 4.823 4.550 -0.001 0.000 0.281 378 Y C 1.997 177.843 175.900 -0.089 0.000 1.174 378 Y CA 0.234 58.304 58.100 -0.051 0.000 1.295 378 Y CB 0.297 38.722 38.460 -0.059 0.000 1.062 378 Y HN 0.032 nan 8.280 nan 0.000 0.522 379 G N -0.417 108.416 108.800 0.055 0.000 2.179 379 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.220 379 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.220 379 G C 0.101 174.978 174.900 -0.040 0.000 0.990 379 G CA -0.045 45.048 45.100 -0.012 0.000 0.646 379 G HN 0.200 nan 8.290 nan 0.000 0.517 380 L N 1.021 122.241 121.223 -0.006 0.000 2.421 380 L HA 0.633 4.972 4.340 -0.001 0.000 0.263 380 L C 0.371 177.347 176.870 0.177 0.000 1.122 380 L CA -0.368 54.498 54.840 0.043 0.000 0.804 380 L CB 1.562 43.663 42.059 0.071 0.000 1.150 380 L HN 0.096 nan 8.230 nan 0.000 0.457 381 S N 1.396 117.270 115.700 0.290 0.000 2.150 381 S HA 0.320 4.789 4.470 -0.001 0.000 0.171 381 S C -2.465 172.295 174.600 0.267 0.000 1.620 381 S CA -1.131 57.209 58.200 0.233 0.000 1.190 381 S CB 0.562 63.853 63.200 0.151 0.000 1.102 381 S HN 0.370 nan 8.310 nan 0.000 0.464 382 P HA 0.341 nan 4.420 nan 0.000 0.271 382 P C -0.426 176.817 177.300 -0.094 0.000 1.218 382 P CA -0.009 63.007 63.100 -0.139 0.000 0.780 382 P CB 0.628 32.294 31.700 -0.057 0.000 0.901 383 T N 0.513 114.959 114.554 -0.179 0.000 2.909 383 T HA 0.585 4.934 4.350 -0.001 0.000 0.299 383 T C -0.410 174.227 174.700 -0.106 0.000 1.073 383 T CA -0.513 61.531 62.100 -0.093 0.000 0.999 383 T CB 1.598 70.429 68.868 -0.062 0.000 1.098 383 T HN 0.433 nan 8.240 nan 0.000 0.477 384 A N 1.404 124.186 122.820 -0.062 0.000 2.587 384 A HA 0.492 4.811 4.320 -0.001 0.000 0.235 384 A C 1.604 179.157 177.584 -0.052 0.000 1.044 384 A CA 0.351 52.363 52.037 -0.042 0.000 0.754 384 A CB -0.345 18.636 19.000 -0.032 0.000 0.968 384 A HN 1.142 nan 8.150 nan 0.000 0.509 385 A N 2.428 125.226 122.820 -0.036 0.000 1.845 385 A HA -0.059 4.260 4.320 -0.001 0.000 0.215 385 A C 1.165 178.730 177.584 -0.032 0.000 1.195 385 A CA 1.327 53.344 52.037 -0.033 0.000 0.616 385 A CB -0.689 18.302 19.000 -0.015 0.000 0.832 385 A HN 0.949 nan 8.150 nan 0.000 0.443 386 D N 0.279 120.665 120.400 -0.022 0.000 2.380 386 D HA 0.051 4.691 4.640 -0.001 0.000 0.270 386 D C 0.071 176.343 176.300 -0.046 0.000 1.363 386 D CA 0.073 54.057 54.000 -0.028 0.000 1.057 386 D CB 0.481 41.273 40.800 -0.013 0.000 1.096 386 D HN 0.142 nan 8.370 nan 0.000 0.524 387 K N 1.013 121.382 120.400 -0.052 0.000 2.587 387 K HA -0.153 4.166 4.320 -0.001 0.000 0.196 387 K C 1.524 178.070 176.600 -0.089 0.000 1.046 387 K CA 1.024 57.272 56.287 -0.066 0.000 0.930 387 K CB -0.100 32.367 32.500 -0.055 0.000 0.771 387 K HN 0.383 nan 8.250 nan 0.000 0.492 388 T N -0.395 114.106 114.554 -0.088 0.000 3.034 388 T HA 0.100 4.449 4.350 -0.001 0.000 0.248 388 T C 0.302 174.904 174.700 -0.162 0.000 1.040 388 T CA 0.163 62.198 62.100 -0.109 0.000 1.107 388 T CB 0.360 69.185 68.868 -0.073 0.000 0.932 388 T HN 0.173 nan 8.240 nan 0.000 0.474 389 E N -0.091 120.034 120.200 -0.126 0.000 2.504 389 E HA 0.441 4.790 4.350 -0.001 0.000 0.253 389 E C -0.921 175.546 176.600 -0.222 0.000 1.151 389 E CA -0.695 55.628 56.400 -0.128 0.000 0.972 389 E CB 0.657 30.378 29.700 0.036 0.000 1.247 389 E HN 0.146 nan 8.360 nan 0.000 0.519 390 F N 0.430 120.381 119.950 0.001 0.000 2.370 390 F HA 0.267 4.793 4.527 -0.001 0.000 0.319 390 F C 0.871 176.675 175.800 0.007 0.000 1.129 390 F CA -0.588 57.414 58.000 0.003 0.000 1.109 390 F CB 0.301 39.303 39.000 0.004 0.000 1.262 390 F HN 0.175 nan 8.300 nan 0.000 0.534 391 I N 1.908 122.591 120.570 0.188 0.000 2.618 391 I HA 0.042 4.212 4.170 -0.001 0.000 0.284 391 I C -0.280 175.908 176.117 0.117 0.000 1.146 391 I CA 0.926 62.295 61.300 0.114 0.000 1.425 391 I CB 0.134 38.188 38.000 0.090 0.000 1.383 391 I HN 0.506 nan 8.210 nan 0.000 0.562 392 D N 4.107 124.566 120.400 0.098 0.000 2.653 392 D HA 0.283 4.922 4.640 -0.001 0.000 0.258 392 D C -0.989 175.365 176.300 0.089 0.000 1.252 392 D CA -0.355 53.698 54.000 0.088 0.000 0.777 392 D CB 2.107 42.958 40.800 0.085 0.000 1.339 392 D HN 0.203 nan 8.370 nan 0.000 0.422 393 V N -0.522 119.441 119.914 0.083 0.000 3.051 393 V HA 0.681 4.800 4.120 -0.001 0.000 0.306 393 V C 0.541 176.694 176.094 0.098 0.000 1.083 393 V CA -0.499 61.856 62.300 0.092 0.000 1.104 393 V CB 0.499 32.361 31.823 0.064 0.000 1.027 393 V HN 0.795 nan 8.190 nan 0.000 0.483 394 C N 1.956 121.337 119.300 0.136 0.000 3.090 394 C HA 0.859 5.318 4.460 -0.001 0.000 0.305 394 C C -2.514 172.614 174.990 0.230 0.000 1.292 394 C CA -1.698 57.408 59.018 0.147 0.000 1.482 394 C CB 1.721 29.538 27.740 0.129 0.000 1.897 394 C HN 0.939 nan 8.230 nan 0.000 0.469 395 P HA 0.107 nan 4.420 nan 0.000 0.273 395 P C 0.843 178.309 177.300 0.276 0.000 1.250 395 P CA -0.113 63.139 63.100 0.253 0.000 0.793 395 P CB 0.571 32.365 31.700 0.157 0.000 1.011 396 L N 1.947 123.332 121.223 0.270 0.000 1.990 396 L HA -0.198 4.141 4.340 -0.001 0.000 0.213 396 L C 1.768 178.634 176.870 -0.006 0.000 1.072 396 L CA 2.160 56.961 54.840 -0.064 0.000 0.755 396 L CB -1.706 40.346 42.059 -0.012 0.000 0.889 396 L HN 0.444 nan 8.230 nan 0.000 0.432 397 N N -0.416 118.356 118.700 0.120 0.000 2.680 397 N HA -0.215 4.524 4.740 -0.001 0.000 0.197 397 N C 1.254 176.832 175.510 0.112 0.000 1.288 397 N CA 0.874 54.017 53.050 0.155 0.000 0.924 397 N CB -0.226 38.348 38.487 0.145 0.000 1.025 397 N HN 0.583 nan 8.380 nan 0.000 0.447 398 K N 0.224 120.673 120.400 0.082 0.000 2.517 398 K HA 0.213 4.532 4.320 -0.001 0.000 0.210 398 K C 0.705 177.337 176.600 0.054 0.000 1.166 398 K CA -0.353 55.975 56.287 0.069 0.000 1.030 398 K CB 0.594 33.141 32.500 0.078 0.000 0.974 398 K HN 0.277 nan 8.250 nan 0.000 0.585 399 I N -1.072 119.517 120.570 0.032 0.000 2.938 399 I HA 0.151 4.321 4.170 -0.001 0.000 0.285 399 I C -0.182 176.006 176.117 0.119 0.000 1.182 399 I CA 0.091 61.407 61.300 0.027 0.000 1.388 399 I CB 1.324 39.232 38.000 -0.154 0.000 1.390 399 I HN -0.179 nan 8.210 nan 0.000 0.600 400 S N 4.155 119.924 115.700 0.115 0.000 2.547 400 S HA 0.773 5.242 4.470 -0.001 0.000 0.281 400 S C -1.310 173.441 174.600 0.252 0.000 1.118 400 S CA -0.442 57.819 58.200 0.101 0.000 0.947 400 S CB 0.979 64.189 63.200 0.017 0.000 1.053 400 S HN 0.562 nan 8.310 nan 0.000 0.482 401 F N 4.357 124.334 119.950 0.045 0.000 2.639 401 F HA 0.421 4.948 4.527 -0.001 0.000 0.320 401 F C -0.604 175.184 175.800 -0.020 0.000 1.128 401 F CA -1.190 56.825 58.000 0.026 0.000 1.037 401 F CB 0.631 39.669 39.000 0.064 0.000 1.288 401 F HN 0.580 nan 8.300 nan 0.000 0.463 402 L N 6.613 127.502 121.223 -0.557 0.000 3.677 402 L HA -0.323 4.017 4.340 -0.001 0.000 0.464 402 L C 0.656 177.344 176.870 -0.304 0.000 1.278 402 L CA 0.552 55.053 54.840 -0.565 0.000 0.806 402 L CB -1.147 40.481 42.059 -0.719 0.000 1.610 402 L HN 0.730 nan 8.230 nan 0.000 0.867 403 K N -1.968 118.304 120.400 -0.215 0.000 3.130 403 K HA -0.178 4.141 4.320 -0.001 0.000 0.282 403 K C 0.356 176.849 176.600 -0.178 0.000 1.145 403 K CA 1.478 57.669 56.287 -0.159 0.000 0.831 403 K CB -0.920 31.494 32.500 -0.143 0.000 1.226 403 K HN 0.709 nan 8.250 nan 0.000 0.478 404 R N -0.241 120.111 120.500 -0.246 0.000 2.807 404 R HA 0.520 4.859 4.340 -0.001 0.000 0.276 404 R C 0.278 176.134 176.300 -0.740 0.000 0.979 404 R CA -0.497 55.353 56.100 -0.417 0.000 0.928 404 R CB 1.786 31.838 30.300 -0.413 0.000 1.191 404 R HN 0.183 nan 8.270 nan 0.000 0.471 405 T N -1.385 112.677 114.554 -0.819 0.000 2.926 405 T HA 0.736 5.086 4.350 -0.001 0.000 0.289 405 T C -0.604 173.466 174.700 -1.050 0.000 1.054 405 T CA -0.732 60.852 62.100 -0.859 0.000 1.015 405 T CB 1.005 69.693 68.868 -0.300 0.000 1.167 405 T HN 0.285 nan 8.240 nan 0.000 0.526 406 F N -0.468 119.499 119.950 0.029 0.000 2.603 406 F HA 0.753 5.280 4.527 -0.001 0.000 0.317 406 F C 0.098 176.044 175.800 0.243 0.000 1.066 406 F CA -1.005 57.067 58.000 0.121 0.000 0.941 406 F CB 2.189 41.233 39.000 0.073 0.000 1.291 406 F HN 0.814 nan 8.300 nan 0.000 0.472 407 E N 1.550 122.027 120.200 0.461 0.000 2.278 407 E HA 0.414 4.763 4.350 -0.001 0.000 0.272 407 E C -1.996 174.539 176.600 -0.109 0.000 0.890 407 E CA -1.007 55.508 56.400 0.190 0.000 0.770 407 E CB 2.136 31.868 29.700 0.054 0.000 1.212 407 E HN 0.611 nan 8.360 nan 0.000 0.415 408 L N 3.944 124.775 121.223 -0.655 0.000 2.418 408 L HA 0.339 4.678 4.340 -0.001 0.000 0.274 408 L C -0.571 175.999 176.870 -0.499 0.000 1.135 408 L CA 0.944 55.114 54.840 -1.115 0.000 0.870 408 L CB 0.808 42.054 42.059 -1.356 0.000 1.154 408 L HN 0.639 nan 8.230 nan 0.000 0.462 409 T N 2.720 117.038 114.554 -0.395 0.000 2.883 409 T HA 0.283 4.632 4.350 -0.001 0.000 0.284 409 T C 0.591 175.179 174.700 -0.187 0.000 1.041 409 T CA 0.082 62.054 62.100 -0.212 0.000 1.007 409 T CB 1.365 70.153 68.868 -0.132 0.000 1.220 409 T HN 0.670 nan 8.240 nan 0.000 0.552 410 D N 0.088 120.415 120.400 -0.122 0.000 2.317 410 D HA -0.015 4.624 4.640 -0.001 0.000 0.211 410 D C 1.049 177.300 176.300 -0.081 0.000 0.966 410 D CA 0.425 54.367 54.000 -0.096 0.000 0.876 410 D CB 0.025 40.782 40.800 -0.072 0.000 0.927 410 D HN 0.293 nan 8.370 nan 0.000 0.519 411 I N 0.615 121.138 120.570 -0.079 0.000 3.801 411 I HA 0.342 4.511 4.170 -0.001 0.000 0.338 411 I C 0.917 177.005 176.117 -0.048 0.000 1.513 411 I CA 0.444 61.710 61.300 -0.057 0.000 1.197 411 I CB -0.293 37.676 38.000 -0.051 0.000 1.300 411 I HN 0.257 nan 8.210 nan 0.000 0.433 412 G N 0.653 109.405 108.800 -0.078 0.000 2.553 412 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.242 412 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.242 412 G C -0.581 174.249 174.900 -0.115 0.000 1.277 412 G CA -0.161 44.898 45.100 -0.068 0.000 0.910 412 G HN 0.307 nan 8.290 nan 0.000 0.576 413 W N -0.669 120.609 121.300 -0.037 0.000 2.313 413 W HA 0.586 5.246 4.660 -0.001 0.000 0.328 413 W C 0.264 176.782 176.519 -0.002 0.000 1.197 413 W CA -0.366 56.964 57.345 -0.026 0.000 1.235 413 W CB 1.683 31.102 29.460 -0.068 0.000 1.158 413 W HN 0.351 nan 8.180 nan 0.000 0.578 414 V N 2.860 122.944 119.914 0.283 0.000 2.638 414 V HA 0.365 4.484 4.120 -0.001 0.000 0.306 414 V C -0.293 175.931 176.094 0.217 0.000 1.052 414 V CA -1.125 61.277 62.300 0.169 0.000 0.885 414 V CB 1.759 33.614 31.823 0.054 0.000 0.999 414 V HN 0.526 nan 8.190 nan 0.000 0.424 415 S N 3.994 119.798 115.700 0.172 0.000 2.508 415 S HA 0.709 5.178 4.470 -0.001 0.000 0.284 415 S C -0.704 173.830 174.600 -0.110 0.000 1.192 415 S CA -0.883 57.373 58.200 0.093 0.000 1.070 415 S CB 1.265 64.579 63.200 0.190 0.000 1.004 415 S HN 0.645 nan 8.310 nan 0.000 0.493 416 K N 2.450 122.693 120.400 -0.261 0.000 2.339 416 K HA 0.412 4.731 4.320 -0.001 0.000 0.264 416 K C -0.811 175.668 176.600 -0.203 0.000 0.986 416 K CA -0.366 55.722 56.287 -0.331 0.000 0.866 416 K CB 1.370 33.570 32.500 -0.499 0.000 1.103 416 K HN 0.580 nan 8.250 nan 0.000 0.441 417 L N 3.274 124.451 121.223 -0.077 0.000 2.490 417 L HA -0.021 4.318 4.340 -0.001 0.000 0.274 417 L C 0.382 177.329 176.870 0.130 0.000 1.201 417 L CA -0.092 54.754 54.840 0.009 0.000 0.869 417 L CB 0.113 42.204 42.059 0.054 0.000 1.123 417 L HN 0.688 nan 8.230 nan 0.000 0.484 418 D N 2.478 122.898 120.400 0.033 0.000 2.488 418 D HA -0.042 4.597 4.640 -0.001 0.000 0.238 418 D C 0.790 177.098 176.300 0.013 0.000 1.138 418 D CA -0.186 53.825 54.000 0.018 0.000 0.873 418 D CB 0.737 41.528 40.800 -0.015 0.000 1.183 418 D HN 0.412 nan 8.370 nan 0.000 0.458 419 K N 1.849 122.142 120.400 -0.179 0.000 2.127 419 K HA -0.208 4.112 4.320 -0.001 0.000 0.208 419 K C 2.076 178.734 176.600 0.098 0.000 1.047 419 K CA 1.667 57.820 56.287 -0.224 0.000 0.927 419 K CB -0.219 31.938 32.500 -0.572 0.000 0.716 419 K HN 0.444 nan 8.250 nan 0.000 0.450 420 S N 0.819 116.573 115.700 0.089 0.000 2.370 420 S HA -0.142 4.327 4.470 -0.001 0.000 0.226 420 S C 2.080 176.816 174.600 0.227 0.000 1.033 420 S CA 1.562 59.881 58.200 0.199 0.000 1.011 420 S CB -0.189 63.141 63.200 0.218 0.000 0.852 420 S HN 0.250 nan 8.310 nan 0.000 0.457 421 S N 1.296 117.076 115.700 0.134 0.000 2.402 421 S HA 0.060 4.530 4.470 -0.001 0.000 0.229 421 S C 1.766 176.412 174.600 0.076 0.000 1.021 421 S CA 0.722 58.944 58.200 0.037 0.000 0.974 421 S CB -0.319 62.878 63.200 -0.005 0.000 0.800 421 S HN 0.398 nan 8.310 nan 0.000 0.484 422 I N 1.555 122.219 120.570 0.157 0.000 2.133 422 I HA -0.149 4.021 4.170 -0.001 0.000 0.238 422 I C 2.181 178.401 176.117 0.173 0.000 1.074 422 I CA 1.283 62.704 61.300 0.202 0.000 1.342 422 I CB -0.948 37.283 38.000 0.385 0.000 1.053 422 I HN 0.272 nan 8.210 nan 0.000 0.404 423 L N 1.012 122.377 121.223 0.237 0.000 2.079 423 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 423 L C 2.872 179.836 176.870 0.156 0.000 1.081 423 L CA 1.494 56.459 54.840 0.209 0.000 0.752 423 L CB -0.785 41.443 42.059 0.282 0.000 0.896 423 L HN 0.402 nan 8.230 nan 0.000 0.433 424 R N 0.514 121.118 120.500 0.174 0.000 2.193 424 R HA -0.184 4.155 4.340 -0.001 0.000 0.229 424 R C 1.737 178.130 176.300 0.156 0.000 1.110 424 R CA 1.218 57.440 56.100 0.203 0.000 0.988 424 R CB -0.455 29.945 30.300 0.167 0.000 0.871 424 R HN 0.488 nan 8.270 nan 0.000 0.458 425 Q N 0.748 120.593 119.800 0.074 0.000 2.364 425 Q HA 0.016 4.355 4.340 -0.001 0.000 0.207 425 Q C 1.980 177.967 176.000 -0.021 0.000 0.970 425 Q CA 0.891 56.717 55.803 0.039 0.000 0.888 425 Q CB 0.046 28.788 28.738 0.006 0.000 0.951 425 Q HN 0.433 nan 8.270 nan 0.000 0.469 426 L N -0.280 120.913 121.223 -0.050 0.000 2.162 426 L HA -0.070 4.269 4.340 -0.001 0.000 0.205 426 L C 2.335 179.095 176.870 -0.182 0.000 1.086 426 L CA 0.836 55.580 54.840 -0.159 0.000 0.778 426 L CB -0.135 41.785 42.059 -0.231 0.000 0.928 426 L HN 0.197 nan 8.230 nan 0.000 0.446 427 E N -0.420 119.704 120.200 -0.127 0.000 2.051 427 E HA -0.118 4.232 4.350 -0.001 0.000 0.189 427 E C 0.150 176.502 176.600 -0.413 0.000 0.979 427 E CA 0.621 56.844 56.400 -0.296 0.000 0.803 427 E CB 0.148 29.674 29.700 -0.290 0.000 0.761 427 E HN 0.252 nan 8.360 nan 0.000 0.451 428 W N -0.107 121.152 121.300 -0.069 0.000 2.576 428 W HA 0.482 5.141 4.660 -0.001 0.000 0.360 428 W C -0.384 176.137 176.519 0.003 0.000 1.109 428 W CA -0.744 56.587 57.345 -0.024 0.000 1.237 428 W CB 1.706 31.156 29.460 -0.016 0.000 1.369 428 W HN -0.259 nan 8.180 nan 0.000 0.609 429 S N 1.042 116.951 115.700 0.348 0.000 2.572 429 S HA 0.280 4.750 4.470 -0.001 0.000 0.274 429 S C -1.203 173.468 174.600 0.119 0.000 1.150 429 S CA -0.944 57.353 58.200 0.163 0.000 0.944 429 S CB 0.863 64.074 63.200 0.019 0.000 1.071 429 S HN 0.437 nan 8.310 nan 0.000 0.479 430 K N 3.687 124.061 120.400 -0.043 0.000 2.228 430 K HA 0.241 4.561 4.320 -0.001 0.000 0.284 430 K C 0.232 176.738 176.600 -0.156 0.000 1.088 430 K CA 0.059 56.143 56.287 -0.338 0.000 0.941 430 K CB -0.060 32.194 32.500 -0.410 0.000 1.158 430 K HN 0.642 nan 8.250 nan 0.000 0.438 431 T N 1.636 116.139 114.554 -0.085 0.000 2.726 431 T HA -0.011 4.338 4.350 -0.001 0.000 0.294 431 T C 1.041 175.729 174.700 -0.020 0.000 1.013 431 T CA -0.024 62.086 62.100 0.016 0.000 0.996 431 T CB 1.164 70.143 68.868 0.186 0.000 1.016 431 T HN 0.489 nan 8.240 nan 0.000 0.529 432 T N 1.268 115.821 114.554 -0.000 0.000 3.069 432 T HA 0.274 4.623 4.350 -0.001 0.000 0.252 432 T C -0.020 174.656 174.700 -0.041 0.000 1.053 432 T CA -0.145 61.939 62.100 -0.026 0.000 0.964 432 T CB 0.033 68.891 68.868 -0.017 0.000 1.005 432 T HN 0.436 nan 8.240 nan 0.000 0.532 433 S N 1.336 117.005 115.700 -0.052 0.000 2.542 433 S HA 0.601 5.071 4.470 -0.001 0.000 0.293 433 S C -0.606 173.857 174.600 -0.229 0.000 1.089 433 S CA -1.021 57.095 58.200 -0.140 0.000 0.961 433 S CB 1.747 64.837 63.200 -0.183 0.000 1.062 433 S HN 0.104 nan 8.310 nan 0.000 0.483 434 R N 2.058 122.431 120.500 -0.212 0.000 2.441 434 R HA 0.364 4.703 4.340 -0.001 0.000 0.284 434 R C -0.375 175.738 176.300 -0.312 0.000 1.070 434 R CA -0.118 55.886 56.100 -0.160 0.000 1.047 434 R CB 0.245 30.502 30.300 -0.072 0.000 1.016 434 R HN 0.716 nan 8.270 nan 0.000 0.477 435 H N 2.619 121.707 119.070 0.030 0.000 2.569 435 H HA 0.285 4.840 4.556 -0.001 0.000 0.357 435 H C 0.654 176.009 175.328 0.045 0.000 1.153 435 H CA -0.723 55.353 56.048 0.046 0.000 1.193 435 H CB 2.092 31.899 29.762 0.075 0.000 1.602 435 H HN 0.222 nan 8.280 nan 0.000 0.523 436 M N 1.668 121.357 119.600 0.149 0.000 2.371 436 M HA 0.128 4.607 4.480 -0.001 0.000 0.246 436 M C 0.169 176.528 176.300 0.099 0.000 1.103 436 M CA 0.057 55.414 55.300 0.094 0.000 1.010 436 M CB -0.243 32.391 32.600 0.056 0.000 1.457 436 M HN 0.352 nan 8.290 nan 0.000 0.486 437 V N -3.081 116.912 119.914 0.133 0.000 3.253 437 V HA 0.525 4.644 4.120 -0.001 0.000 0.300 437 V C -0.266 175.908 176.094 0.133 0.000 1.398 437 V CA -1.431 60.935 62.300 0.111 0.000 1.067 437 V CB 2.074 33.950 31.823 0.089 0.000 1.102 437 V HN 0.016 nan 8.190 nan 0.000 0.455 438 I N 2.576 123.223 120.570 0.129 0.000 2.505 438 I HA 0.427 4.597 4.170 -0.001 0.000 0.287 438 I C 0.368 176.532 176.117 0.078 0.000 1.104 438 I CA 0.604 62.006 61.300 0.169 0.000 1.387 438 I CB -0.075 38.047 38.000 0.204 0.000 1.404 438 I HN 1.008 nan 8.210 nan 0.000 0.528 439 E N 5.203 125.416 120.200 0.021 0.000 2.454 439 E HA 0.515 4.864 4.350 -0.001 0.000 0.279 439 E C -1.450 175.061 176.600 -0.149 0.000 1.029 439 E CA -1.089 55.284 56.400 -0.044 0.000 0.831 439 E CB 1.337 31.049 29.700 0.019 0.000 1.405 439 E HN 0.414 nan 8.360 nan 0.000 0.463 440 E N 0.241 120.354 120.200 -0.145 0.000 2.319 440 E HA 0.380 4.729 4.350 -0.001 0.000 0.268 440 E C -0.791 175.692 176.600 -0.194 0.000 1.050 440 E CA -0.619 55.644 56.400 -0.228 0.000 0.878 440 E CB 1.813 31.364 29.700 -0.247 0.000 1.066 440 E HN 0.428 nan 8.360 nan 0.000 0.406 441 T N 0.590 114.988 114.554 -0.260 0.000 2.893 441 T HA 0.337 4.686 4.350 -0.001 0.000 0.291 441 T C -0.752 173.801 174.700 -0.245 0.000 1.028 441 T CA -0.395 61.628 62.100 -0.128 0.000 0.995 441 T CB 0.624 69.479 68.868 -0.022 0.000 1.051 441 T HN 0.468 nan 8.240 nan 0.000 0.470 442 Y N 0.986 121.325 120.300 0.064 0.000 2.444 442 Y HA 0.325 4.874 4.550 -0.001 0.000 0.252 442 Y C 1.291 177.255 175.900 0.107 0.000 1.091 442 Y CA -0.381 57.784 58.100 0.108 0.000 1.276 442 Y CB 0.509 39.035 38.460 0.110 0.000 1.170 442 Y HN 0.590 nan 8.280 nan 0.000 0.517 443 D N 0.895 121.418 120.400 0.205 0.000 2.662 443 D HA 0.055 4.695 4.640 -0.001 0.000 0.228 443 D C 0.631 176.995 176.300 0.106 0.000 1.090 443 D CA 0.621 54.705 54.000 0.140 0.000 1.118 443 D CB -0.464 40.402 40.800 0.109 0.000 1.129 443 D HN 0.314 nan 8.370 nan 0.000 0.472 444 L N 0.483 121.786 121.223 0.133 0.000 2.731 444 L HA 0.302 4.642 4.340 -0.001 0.000 0.240 444 L C 1.331 178.268 176.870 0.112 0.000 1.120 444 L CA -0.175 54.726 54.840 0.101 0.000 0.913 444 L CB 0.340 42.459 42.059 0.101 0.000 1.213 444 L HN 0.182 nan 8.230 nan 0.000 0.515 445 A N 1.090 123.981 122.820 0.118 0.000 3.046 445 A HA 0.190 4.509 4.320 -0.001 0.000 0.259 445 A C -0.033 177.592 177.584 0.068 0.000 1.843 445 A CA 0.279 52.375 52.037 0.097 0.000 1.451 445 A CB -0.714 18.334 19.000 0.079 0.000 1.025 445 A HN -0.043 nan 8.150 nan 0.000 0.625 446 K N 0.211 120.647 120.400 0.060 0.000 2.259 446 K HA 0.254 4.573 4.320 -0.001 0.000 0.252 446 K C 0.703 177.323 176.600 0.034 0.000 0.936 446 K CA -0.632 55.677 56.287 0.038 0.000 0.810 446 K CB 1.571 34.085 32.500 0.023 0.000 1.143 446 K HN 0.575 nan 8.250 nan 0.000 0.427 447 E N 1.514 121.732 120.200 0.029 0.000 2.097 447 E HA -0.254 4.095 4.350 -0.001 0.000 0.196 447 E C 0.480 177.090 176.600 0.016 0.000 1.000 447 E CA 1.875 58.293 56.400 0.030 0.000 0.804 447 E CB 0.388 30.104 29.700 0.025 0.000 0.740 447 E HN 0.516 nan 8.360 nan 0.000 0.454 448 E N 0.138 120.340 120.200 0.003 0.000 2.077 448 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 448 E C 2.092 178.672 176.600 -0.035 0.000 0.989 448 E CA 0.720 57.113 56.400 -0.012 0.000 0.800 448 E CB -0.126 29.564 29.700 -0.016 0.000 0.746 448 E HN 0.030 nan 8.360 nan 0.000 0.452 449 R N 0.514 120.990 120.500 -0.040 0.000 2.081 449 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 449 R C 2.298 178.504 176.300 -0.156 0.000 1.131 449 R CA 1.497 57.545 56.100 -0.087 0.000 0.960 449 R CB -0.944 29.321 30.300 -0.058 0.000 0.856 449 R HN 0.375 nan 8.270 nan 0.000 0.436 450 G N 0.347 109.102 108.800 -0.074 0.000 2.480 450 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.216 450 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.216 450 G C 1.457 176.309 174.900 -0.081 0.000 1.200 450 G CA 1.347 46.418 45.100 -0.050 0.000 0.782 450 G HN 0.358 nan 8.290 nan 0.000 0.554 451 V N -0.285 119.615 119.914 -0.024 0.000 2.515 451 V HA -0.167 3.953 4.120 -0.001 0.000 0.250 451 V C 2.415 178.486 176.094 -0.038 0.000 1.058 451 V CA 2.692 64.992 62.300 0.000 0.000 1.064 451 V CB -0.392 31.447 31.823 0.026 0.000 0.675 451 V HN 0.512 nan 8.190 nan 0.000 0.461 452 Q N -0.101 119.650 119.800 -0.081 0.000 2.084 452 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 452 Q C 2.206 178.118 176.000 -0.147 0.000 0.978 452 Q CA 2.427 58.177 55.803 -0.089 0.000 0.844 452 Q CB -0.216 28.469 28.738 -0.088 0.000 0.898 452 Q HN 0.754 nan 8.270 nan 0.000 0.426 453 L N 0.192 121.226 121.223 -0.315 0.000 2.217 453 L HA -0.100 4.240 4.340 -0.001 0.000 0.211 453 L C 2.155 178.849 176.870 -0.293 0.000 1.107 453 L CA 0.821 55.370 54.840 -0.485 0.000 0.783 453 L CB -0.271 41.086 42.059 -1.171 0.000 0.919 453 L HN 0.272 nan 8.230 nan 0.000 0.442 454 E N 0.179 120.289 120.200 -0.151 0.000 2.046 454 E HA -0.244 4.105 4.350 -0.001 0.000 0.190 454 E C 1.972 178.678 176.600 0.176 0.000 0.982 454 E CA 0.991 57.418 56.400 0.045 0.000 0.800 454 E CB 0.062 29.843 29.700 0.136 0.000 0.756 454 E HN 0.280 nan 8.360 nan 0.000 0.449 455 E N 1.188 121.453 120.200 0.108 0.000 2.153 455 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 455 E C 1.892 178.559 176.600 0.113 0.000 0.988 455 E CA 0.502 56.972 56.400 0.117 0.000 0.811 455 E CB -0.165 29.574 29.700 0.064 0.000 0.746 455 E HN 0.112 nan 8.360 nan 0.000 0.466 456 L N 0.635 121.895 121.223 0.062 0.000 2.079 456 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 456 L C 2.126 179.086 176.870 0.150 0.000 1.081 456 L CA 1.852 56.734 54.840 0.070 0.000 0.752 456 L CB -0.399 41.649 42.059 -0.017 0.000 0.896 456 L HN 0.211 nan 8.230 nan 0.000 0.433 457 Q N -1.589 118.323 119.800 0.187 0.000 2.084 457 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 457 Q C 2.156 178.434 176.000 0.463 0.000 0.978 457 Q CA 1.843 57.855 55.803 0.347 0.000 0.844 457 Q CB -0.207 28.791 28.738 0.434 0.000 0.898 457 Q HN 0.444 nan 8.270 nan 0.000 0.426 458 V N 0.713 120.826 119.914 0.331 0.000 2.427 458 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 458 V C 2.173 178.385 176.094 0.198 0.000 1.051 458 V CA 1.708 64.142 62.300 0.224 0.000 1.048 458 V CB -0.883 31.025 31.823 0.140 0.000 0.666 458 V HN 0.385 nan 8.190 nan 0.000 0.456 459 A N 0.077 123.019 122.820 0.203 0.000 1.898 459 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 459 A C 2.420 180.196 177.584 0.320 0.000 1.181 459 A CA 1.790 53.943 52.037 0.193 0.000 0.620 459 A CB -0.690 18.412 19.000 0.169 0.000 0.819 459 A HN 0.538 nan 8.150 nan 0.000 0.442 460 A N -0.043 123.037 122.820 0.434 0.000 1.933 460 A HA 0.178 4.497 4.320 -0.001 0.000 0.218 460 A C 2.442 180.443 177.584 0.695 0.000 1.175 460 A CA 1.896 54.326 52.037 0.655 0.000 0.628 460 A CB -0.925 18.342 19.000 0.445 0.000 0.814 460 A HN 1.059 nan 8.150 nan 0.000 0.444 461 A N -0.185 122.977 122.820 0.570 0.000 2.019 461 A HA 0.183 4.502 4.320 -0.001 0.000 0.219 461 A C 2.332 180.090 177.584 0.290 0.000 1.164 461 A CA 1.744 54.038 52.037 0.428 0.000 0.644 461 A CB -0.788 18.271 19.000 0.099 0.000 0.805 461 A HN 1.073 nan 8.150 nan 0.000 0.449 462 A N -1.635 121.284 122.820 0.165 0.000 2.121 462 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 462 A C 1.794 179.337 177.584 -0.069 0.000 1.154 462 A CA 1.258 53.291 52.037 -0.007 0.000 0.679 462 A CB -0.693 18.234 19.000 -0.122 0.000 0.795 462 A HN 0.661 nan 8.150 nan 0.000 0.458 463 H N -0.925 118.259 119.070 0.189 0.000 2.553 463 H HA 0.330 4.885 4.556 -0.001 0.000 0.265 463 H C 1.145 176.564 175.328 0.152 0.000 0.964 463 H CA 0.860 56.968 56.048 0.101 0.000 1.156 463 H CB 0.325 30.063 29.762 -0.040 0.000 1.411 463 H HN 0.613 nan 8.280 nan 0.000 0.558 464 G N 0.608 109.610 108.800 0.336 0.000 2.440 464 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.684 464 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.684 464 G C 0.336 175.301 174.900 0.108 0.000 1.309 464 G CA -0.016 45.225 45.100 0.235 0.000 0.931 464 G HN 0.246 nan 8.290 nan 0.000 0.612 465 Q N -0.446 119.162 119.800 -0.321 0.000 2.084 465 Q HA -0.106 4.234 4.340 -0.001 0.000 0.202 465 Q C 2.236 178.168 176.000 -0.115 0.000 0.978 465 Q CA 2.356 57.719 55.803 -0.734 0.000 0.844 465 Q CB -0.119 28.108 28.738 -0.851 0.000 0.898 465 Q HN 0.727 nan 8.270 nan 0.000 0.426 466 E N -0.770 119.430 120.200 0.000 0.000 2.077 466 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 466 E C 1.663 178.375 176.600 0.186 0.000 0.989 466 E CA 1.167 57.613 56.400 0.076 0.000 0.800 466 E CB -0.221 29.509 29.700 0.049 0.000 0.746 466 E HN 0.458 nan 8.360 nan 0.000 0.452 467 F N 0.385 120.404 119.950 0.114 0.000 2.146 467 F HA -0.113 4.413 4.527 -0.001 0.000 0.298 467 F C 1.878 177.854 175.800 0.293 0.000 1.096 467 F CA 1.256 59.369 58.000 0.188 0.000 1.275 467 F CB -0.525 38.575 39.000 0.166 0.000 1.008 467 F HN 0.109 nan 8.300 nan 0.000 0.480 468 F N 1.600 121.637 119.950 0.146 0.000 2.069 468 F HA -0.297 4.230 4.527 -0.001 0.000 0.298 468 F C 2.228 178.042 175.800 0.022 0.000 1.113 468 F CA 2.235 60.289 58.000 0.091 0.000 1.214 468 F CB -0.897 38.211 39.000 0.180 0.000 0.978 468 F HN -0.076 nan 8.300 nan 0.000 0.474 469 N N 0.168 118.924 118.700 0.094 0.000 2.104 469 N HA -0.240 4.499 4.740 -0.001 0.000 0.190 469 N C 1.834 177.338 175.510 -0.010 0.000 1.024 469 N CA 1.604 54.659 53.050 0.008 0.000 0.853 469 N CB -1.043 37.502 38.487 0.097 0.000 1.008 469 N HN 0.402 nan 8.380 nan 0.000 0.424 470 F N 1.731 121.601 119.950 -0.134 0.000 2.069 470 F HA -0.146 4.380 4.527 -0.001 0.000 0.298 470 F C 2.183 177.952 175.800 -0.053 0.000 1.113 470 F CA 0.957 58.896 58.000 -0.102 0.000 1.214 470 F CB -0.608 38.284 39.000 -0.180 0.000 0.978 470 F HN -0.200 nan 8.300 nan 0.000 0.474 471 V N -0.753 118.969 119.914 -0.319 0.000 2.295 471 V HA -0.340 3.779 4.120 -0.001 0.000 0.246 471 V C 2.675 178.539 176.094 -0.384 0.000 1.049 471 V CA 1.922 63.974 62.300 -0.413 0.000 1.024 471 V CB -1.055 30.509 31.823 -0.432 0.000 0.648 471 V HN 0.555 nan 8.190 nan 0.000 0.447 472 C N -0.531 118.518 119.300 -0.419 0.000 2.422 472 C HA -0.123 4.336 4.460 -0.001 0.000 0.279 472 C C 2.882 177.732 174.990 -0.233 0.000 1.305 472 C CA 1.158 59.952 59.018 -0.374 0.000 1.757 472 C CB -1.244 26.174 27.740 -0.536 0.000 1.962 472 C HN 0.546 nan 8.230 nan 0.000 0.499 473 R N 1.322 121.708 120.500 -0.190 0.000 2.083 473 R HA -0.206 4.133 4.340 -0.001 0.000 0.237 473 R C 2.164 178.346 176.300 -0.197 0.000 1.137 473 R CA 2.265 58.290 56.100 -0.125 0.000 0.951 473 R CB -0.321 29.961 30.300 -0.030 0.000 0.851 473 R HN 0.534 nan 8.270 nan 0.000 0.434 474 E N 0.516 120.491 120.200 -0.375 0.000 2.107 474 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 474 E C 1.982 178.402 176.600 -0.299 0.000 0.982 474 E CA 1.174 57.259 56.400 -0.525 0.000 0.809 474 E CB -0.257 28.725 29.700 -1.197 0.000 0.756 474 E HN 0.440 nan 8.360 nan 0.000 0.459 475 L N 0.437 121.527 121.223 -0.221 0.000 2.046 475 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 475 L C 2.462 179.367 176.870 0.057 0.000 1.077 475 L CA 1.715 56.564 54.840 0.015 0.000 0.747 475 L CB -0.456 41.640 42.059 0.061 0.000 0.896 475 L HN 0.230 nan 8.230 nan 0.000 0.432 476 E N -0.280 119.874 120.200 -0.077 0.000 2.118 476 E HA -0.277 4.073 4.350 -0.001 0.000 0.195 476 E C 2.284 178.838 176.600 -0.078 0.000 0.992 476 E CA 1.089 57.422 56.400 -0.112 0.000 0.804 476 E CB -0.108 29.529 29.700 -0.104 0.000 0.741 476 E HN 0.332 nan 8.360 nan 0.000 0.458 477 R N 0.931 121.397 120.500 -0.056 0.000 2.092 477 R HA -0.121 4.219 4.340 -0.001 0.000 0.231 477 R C 1.933 178.295 176.300 0.103 0.000 1.119 477 R CA 1.164 57.262 56.100 -0.004 0.000 0.970 477 R CB 0.082 30.363 30.300 -0.031 0.000 0.864 477 R HN 0.199 nan 8.270 nan 0.000 0.440 478 Q N -0.059 119.804 119.800 0.106 0.000 2.488 478 Q HA -0.111 4.228 4.340 -0.001 0.000 0.211 478 Q C 1.536 177.753 176.000 0.363 0.000 0.967 478 Q CA 0.644 56.595 55.803 0.247 0.000 0.926 478 Q CB 0.273 29.069 28.738 0.096 0.000 0.992 478 Q HN 0.511 nan 8.270 nan 0.000 0.506 479 Q N -0.379 119.488 119.800 0.111 0.000 2.436 479 Q HA -0.042 4.298 4.340 -0.001 0.000 0.209 479 Q C 1.776 177.752 176.000 -0.041 0.000 0.965 479 Q CA 0.753 56.481 55.803 -0.124 0.000 0.910 479 Q CB 0.115 28.608 28.738 -0.409 0.000 0.980 479 Q HN 0.337 nan 8.270 nan 0.000 0.491 480 A N -0.441 122.377 122.820 -0.004 0.000 2.066 480 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 480 A C 1.112 178.580 177.584 -0.194 0.000 1.157 480 A CA 0.861 52.808 52.037 -0.149 0.000 0.670 480 A CB -0.194 18.645 19.000 -0.268 0.000 0.804 480 A HN 0.359 nan 8.150 nan 0.000 0.453 481 Y N -0.386 119.941 120.300 0.045 0.000 2.503 481 Y HA 0.180 4.729 4.550 -0.001 0.000 0.277 481 Y C 0.415 176.368 175.900 0.087 0.000 1.102 481 Y CA 0.817 58.959 58.100 0.069 0.000 1.261 481 Y CB 0.363 38.858 38.460 0.058 0.000 1.096 481 Y HN 0.071 nan 8.280 nan 0.000 0.546 482 T N 0.231 114.965 114.554 0.300 0.000 2.921 482 T HA 0.224 4.573 4.350 -0.001 0.000 0.297 482 T C -0.885 173.986 174.700 0.286 0.000 1.013 482 T CA -0.820 61.457 62.100 0.295 0.000 0.990 482 T CB 1.888 70.956 68.868 0.334 0.000 1.023 482 T HN -0.178 nan 8.240 nan 0.000 0.447 483 Q N 2.962 122.867 119.800 0.175 0.000 2.325 483 Q HA 0.506 4.845 4.340 -0.001 0.000 0.256 483 Q C -0.959 175.155 176.000 0.191 0.000 1.142 483 Q CA 0.097 55.955 55.803 0.093 0.000 0.902 483 Q CB -0.491 28.284 28.738 0.062 0.000 1.350 483 Q HN 0.593 nan 8.270 nan 0.000 0.449 484 F N -0.536 119.391 119.950 -0.038 0.000 2.703 484 F HA 0.610 5.136 4.527 -0.001 0.000 0.308 484 F C -1.177 174.559 175.800 -0.107 0.000 1.126 484 F CA -1.152 56.810 58.000 -0.064 0.000 0.959 484 F CB 0.692 39.650 39.000 -0.070 0.000 1.297 484 F HN 0.086 nan 8.300 nan 0.000 0.441 485 S N 1.390 117.028 115.700 -0.104 0.000 2.585 485 S HA 0.673 5.142 4.470 -0.001 0.000 0.277 485 S C -0.735 173.649 174.600 -0.359 0.000 1.241 485 S CA -0.779 57.260 58.200 -0.267 0.000 1.041 485 S CB 1.752 64.861 63.200 -0.152 0.000 0.987 485 S HN 0.596 nan 8.310 nan 0.000 0.512 486 V N 3.792 123.508 119.914 -0.331 0.000 2.311 486 V HA 0.299 4.418 4.120 -0.001 0.000 0.275 486 V C -0.948 175.083 176.094 -0.106 0.000 1.022 486 V CA -0.626 61.539 62.300 -0.225 0.000 0.830 486 V CB -0.342 31.392 31.823 -0.149 0.000 1.012 486 V HN 0.749 nan 8.190 nan 0.000 0.452 487 Y N 2.202 122.612 120.300 0.184 0.000 2.281 487 Y HA 0.411 4.961 4.550 -0.001 0.000 0.337 487 Y C 1.337 177.413 175.900 0.294 0.000 1.304 487 Y CA -0.560 57.657 58.100 0.195 0.000 1.465 487 Y CB 0.234 38.805 38.460 0.185 0.000 1.350 487 Y HN 0.662 nan 8.280 nan 0.000 0.575 488 S N -0.401 115.538 115.700 0.398 0.000 2.624 488 S HA 0.023 4.492 4.470 -0.001 0.000 0.263 488 S C 0.728 175.486 174.600 0.264 0.000 1.287 488 S CA -0.542 57.861 58.200 0.339 0.000 0.990 488 S CB 0.226 63.540 63.200 0.190 0.000 0.950 488 S HN 0.693 nan 8.310 nan 0.000 0.561 489 Y N 1.130 121.393 120.300 -0.061 0.000 2.145 489 Y HA -0.113 4.436 4.550 -0.001 0.000 0.286 489 Y C 1.740 177.426 175.900 -0.357 0.000 1.145 489 Y CA 2.273 59.971 58.100 -0.670 0.000 1.148 489 Y CB -0.795 37.378 38.460 -0.478 0.000 0.981 489 Y HN 0.725 nan 8.280 nan 0.000 0.507 490 D N 0.135 120.373 120.400 -0.269 0.000 2.123 490 D HA -0.188 4.452 4.640 -0.001 0.000 0.196 490 D C 2.339 178.491 176.300 -0.247 0.000 0.992 490 D CA 1.598 55.423 54.000 -0.291 0.000 0.833 490 D CB -0.706 40.029 40.800 -0.108 0.000 0.954 490 D HN 0.465 nan 8.370 nan 0.000 0.455 491 A N 1.053 123.792 122.820 -0.136 0.000 1.883 491 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 491 A C 2.328 179.787 177.584 -0.208 0.000 1.186 491 A CA 2.649 54.610 52.037 -0.127 0.000 0.624 491 A CB -0.886 18.102 19.000 -0.021 0.000 0.822 491 A HN 0.253 nan 8.150 nan 0.000 0.444 492 A N -1.161 121.556 122.820 -0.172 0.000 1.930 492 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 492 A C 2.136 179.586 177.584 -0.222 0.000 1.175 492 A CA 1.450 53.404 52.037 -0.139 0.000 0.627 492 A CB -0.407 18.622 19.000 0.047 0.000 0.815 492 A HN 0.322 nan 8.150 nan 0.000 0.443 493 R N -0.152 120.117 120.500 -0.386 0.000 2.237 493 R HA -0.021 4.318 4.340 -0.001 0.000 0.219 493 R C 1.873 178.027 176.300 -0.243 0.000 1.080 493 R CA 1.258 57.129 56.100 -0.380 0.000 0.995 493 R CB -0.466 29.454 30.300 -0.632 0.000 0.875 493 R HN 0.694 nan 8.270 nan 0.000 0.462 494 K N 0.299 120.569 120.400 -0.215 0.000 2.186 494 K HA 0.069 4.388 4.320 -0.001 0.000 0.202 494 K C 1.934 178.455 176.600 -0.132 0.000 1.052 494 K CA 0.475 56.669 56.287 -0.155 0.000 0.965 494 K CB 0.137 32.553 32.500 -0.139 0.000 0.746 494 K HN 0.047 nan 8.250 nan 0.000 0.457 495 I N 1.240 121.720 120.570 -0.149 0.000 2.252 495 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 495 I C 2.129 178.198 176.117 -0.079 0.000 1.102 495 I CA 0.944 62.172 61.300 -0.120 0.000 1.385 495 I CB -0.167 37.746 38.000 -0.146 0.000 1.064 495 I HN 0.146 nan 8.210 nan 0.000 0.414 496 L N 0.640 121.815 121.223 -0.078 0.000 1.989 496 L HA -0.239 4.100 4.340 -0.001 0.000 0.211 496 L C 2.935 179.773 176.870 -0.053 0.000 1.071 496 L CA 1.553 56.361 54.840 -0.053 0.000 0.749 496 L CB -0.810 41.215 42.059 -0.058 0.000 0.890 496 L HN 0.251 nan 8.230 nan 0.000 0.431 497 A N -0.094 122.683 122.820 -0.073 0.000 1.917 497 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 497 A C 1.921 179.476 177.584 -0.048 0.000 1.182 497 A CA 2.313 54.312 52.037 -0.063 0.000 0.633 497 A CB -0.626 18.327 19.000 -0.078 0.000 0.819 497 A HN 0.430 nan 8.150 nan 0.000 0.448 498 D N -0.979 119.390 120.400 -0.052 0.000 2.224 498 D HA -0.064 4.575 4.640 -0.001 0.000 0.205 498 D C 2.144 178.428 176.300 -0.028 0.000 0.965 498 D CA 0.775 54.750 54.000 -0.040 0.000 0.852 498 D CB -0.311 40.461 40.800 -0.047 0.000 0.947 498 D HN 0.463 nan 8.370 nan 0.000 0.494 499 R N 0.600 121.084 120.500 -0.027 0.000 2.115 499 R HA -0.016 4.323 4.340 -0.001 0.000 0.230 499 R C 1.412 177.705 176.300 -0.010 0.000 1.111 499 R CA 0.796 56.886 56.100 -0.016 0.000 0.976 499 R CB 0.251 30.544 30.300 -0.012 0.000 0.870 499 R HN 0.204 nan 8.270 nan 0.000 0.445 500 K N 0.809 121.202 120.400 -0.012 0.000 2.948 500 K HA 0.107 4.426 4.320 -0.001 0.000 0.323 500 K C 0.234 176.829 176.600 -0.009 0.000 1.015 500 K CA -0.484 55.798 56.287 -0.007 0.000 1.117 500 K CB 0.004 32.501 32.500 -0.004 0.000 1.264 500 K HN 0.065 nan 8.250 nan 0.000 0.486 501 R N 0.000 120.496 120.500 -0.007 0.000 2.786 501 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 501 R CA 0.000 56.097 56.100 -0.006 0.000 0.921 501 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 501 R HN 0.000 nan 8.270 nan 0.000 0.535