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 3m6u_1_A DATA FIRST_RESID 5 DATA SEQUENCE AFLSRMAELL GEEFPAFLKA LTEGKRTYGL RVNTLKLPPE AFQRISPWPL DATA SEQUENCE RPIPWCQEGF YYPEEARPGP HPFFYAGLYY IQEPSAQAVG VLLDPKPGER DATA SEQUENCE VLDLAAAPGG KTTHLAARMG GKGLLLANEV DGKRVRGLLE NVERWGAPLA DATA SEQUENCE VTQAPPRALA EAFGTYFHRV LLDAXXXXXX XXXXXXXXXR HWGPXXPKRM DATA SEQUENCE AEVQKALLAQ ASRLLGPGGV LVYSTCTFAP EENEGVVAHF LKAHPEFRLE DATA SEQUENCE DARLHPLFAP GVPEWGEGNP ELLKTARLWP HRLEGEGHFL ARFRKEGGAW DATA SEQUENCE STPRLERPSP LSQEALRAFR GFLEEAGLTL EGPVLDRAGH LYLLPEGLPT DATA SEQUENCE LLGLKAPAPG LYLGKVQKGR FLPARALALA FGATLPWPEG LPRLALTPED DATA SEQUENCE PRALAFATGE GVAWEGEDHP LALVVLKTAA GEFPLDFGKA KRGVLRPVGV DATA SEQUENCE GLRSH 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 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.620 177.584 0.060 0.000 1.274 5 A CA 0.000 52.062 52.037 0.041 0.000 0.836 5 A CB 0.000 19.014 19.000 0.024 0.000 0.831 6 F N 2.086 122.025 119.950 -0.017 0.000 2.051 6 F HA -0.065 4.462 4.527 -0.000 0.000 0.296 6 F C 1.801 177.624 175.800 0.038 0.000 1.122 6 F CA 2.450 60.447 58.000 -0.005 0.000 1.201 6 F CB -0.293 38.723 39.000 0.028 0.000 0.978 6 F HN 0.173 nan 8.300 nan 0.000 0.472 7 L N -0.350 120.900 121.223 0.046 0.000 2.079 7 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 7 L C 2.789 179.521 176.870 -0.229 0.000 1.081 7 L CA 1.646 56.482 54.840 -0.007 0.000 0.752 7 L CB -1.145 41.048 42.059 0.223 0.000 0.896 7 L HN 0.348 nan 8.230 nan 0.000 0.433 8 S N -0.043 115.556 115.700 -0.169 0.000 2.356 8 S HA -0.253 4.217 4.470 -0.000 0.000 0.223 8 S C 2.132 176.600 174.600 -0.221 0.000 1.032 8 S CA 1.533 59.608 58.200 -0.208 0.000 1.005 8 S CB -0.081 63.052 63.200 -0.110 0.000 0.867 8 S HN 0.282 nan 8.310 nan 0.000 0.449 9 R N 0.229 120.616 120.500 -0.188 0.000 2.073 9 R HA 0.045 4.385 4.340 -0.000 0.000 0.234 9 R C 2.509 178.744 176.300 -0.108 0.000 1.134 9 R CA 1.978 58.000 56.100 -0.130 0.000 0.952 9 R CB -0.328 29.842 30.300 -0.217 0.000 0.850 9 R HN 0.392 nan 8.270 nan 0.000 0.433 10 M N -0.411 118.995 119.600 -0.323 0.000 2.117 10 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 10 M C 2.300 178.437 176.300 -0.271 0.000 1.065 10 M CA 1.794 56.917 55.300 -0.296 0.000 1.114 10 M CB -1.100 31.200 32.600 -0.501 0.000 1.361 10 M HN 0.294 nan 8.290 nan 0.000 0.408 11 A N -0.290 122.196 122.820 -0.556 0.000 1.933 11 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 11 A C 2.150 179.523 177.584 -0.353 0.000 1.175 11 A CA 1.901 53.461 52.037 -0.796 0.000 0.628 11 A CB -0.593 17.633 19.000 -1.290 0.000 0.814 11 A HN 0.412 nan 8.150 nan 0.000 0.444 12 E N -0.353 119.704 120.200 -0.238 0.000 2.077 12 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 12 E C 1.813 178.349 176.600 -0.107 0.000 0.989 12 E CA 1.275 57.596 56.400 -0.131 0.000 0.800 12 E CB -0.324 29.341 29.700 -0.059 0.000 0.746 12 E HN 0.495 nan 8.360 nan 0.000 0.452 13 L N -0.372 120.801 121.223 -0.083 0.000 2.044 13 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 13 L C 1.938 178.689 176.870 -0.198 0.000 1.075 13 L CA 1.531 56.279 54.840 -0.153 0.000 0.747 13 L CB -0.205 41.757 42.059 -0.163 0.000 0.903 13 L HN 0.192 nan 8.230 nan 0.000 0.435 14 L N -0.846 120.243 121.223 -0.222 0.000 2.418 14 L HA 0.235 4.575 4.340 -0.000 0.000 0.218 14 L C 1.802 178.579 176.870 -0.155 0.000 1.125 14 L CA 0.381 55.061 54.840 -0.266 0.000 0.835 14 L CB -1.063 40.768 42.059 -0.380 0.000 0.953 14 L HN 0.555 nan 8.230 nan 0.000 0.454 15 G N 1.787 110.517 108.800 -0.116 0.000 2.660 15 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.321 15 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.321 15 G C 0.995 175.876 174.900 -0.032 0.000 1.246 15 G CA 0.646 45.700 45.100 -0.076 0.000 1.000 15 G HN 0.467 nan 8.290 nan 0.000 0.550 16 E N 1.372 121.551 120.200 -0.035 0.000 2.401 16 E HA -0.081 4.269 4.350 -0.000 0.000 0.199 16 E C 1.613 178.196 176.600 -0.028 0.000 1.023 16 E CA 1.782 58.172 56.400 -0.017 0.000 0.859 16 E CB -0.176 29.514 29.700 -0.017 0.000 0.780 16 E HN 0.645 nan 8.360 nan 0.000 0.523 17 E N -0.006 120.152 120.200 -0.070 0.000 2.479 17 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 17 E C 1.336 177.792 176.600 -0.239 0.000 1.049 17 E CA -0.180 56.128 56.400 -0.153 0.000 0.870 17 E CB -0.477 29.116 29.700 -0.178 0.000 0.944 17 E HN 0.291 nan 8.360 nan 0.000 0.492 18 F N 2.761 122.568 119.950 -0.238 0.000 2.126 18 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 18 F C -0.940 174.809 175.800 -0.085 0.000 1.096 18 F CA 1.110 59.002 58.000 -0.179 0.000 1.255 18 F CB -0.962 37.956 39.000 -0.137 0.000 0.997 18 F HN 0.031 nan 8.300 nan 0.000 0.479 19 P HA -0.169 nan 4.420 nan 0.000 0.215 19 P C 1.587 178.715 177.300 -0.286 0.000 1.153 19 P CA 2.404 65.340 63.100 -0.274 0.000 0.853 19 P CB -0.353 31.295 31.700 -0.086 0.000 0.788 20 A N -1.092 121.600 122.820 -0.213 0.000 1.902 20 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 20 A C 2.106 179.580 177.584 -0.182 0.000 1.181 20 A CA 1.330 53.278 52.037 -0.147 0.000 0.623 20 A CB -1.823 17.145 19.000 -0.053 0.000 0.818 20 A HN 0.163 nan 8.150 nan 0.000 0.443 21 F N 0.366 119.995 119.950 -0.534 0.000 2.095 21 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 21 F C 1.818 177.407 175.800 -0.352 0.000 1.104 21 F CA 1.868 59.600 58.000 -0.447 0.000 1.232 21 F CB -0.412 38.214 39.000 -0.624 0.000 0.987 21 F HN 0.201 nan 8.300 nan 0.000 0.475 22 L N 1.130 121.931 121.223 -0.703 0.000 2.046 22 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 22 L C 2.462 179.077 176.870 -0.425 0.000 1.077 22 L CA 2.116 56.550 54.840 -0.677 0.000 0.747 22 L CB -1.104 40.521 42.059 -0.724 0.000 0.896 22 L HN 0.270 nan 8.230 nan 0.000 0.432 23 K N -0.810 119.401 120.400 -0.315 0.000 2.057 23 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 23 K C 1.948 178.451 176.600 -0.161 0.000 1.049 23 K CA 1.285 57.459 56.287 -0.188 0.000 0.931 23 K CB -0.187 32.236 32.500 -0.127 0.000 0.714 23 K HN 0.440 nan 8.250 nan 0.000 0.440 24 A N 1.072 123.788 122.820 -0.172 0.000 1.929 24 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 24 A C 2.000 179.496 177.584 -0.145 0.000 1.176 24 A CA 1.014 52.992 52.037 -0.098 0.000 0.628 24 A CB -0.488 18.516 19.000 0.007 0.000 0.816 24 A HN 0.364 nan 8.150 nan 0.000 0.444 25 L N 0.441 121.469 121.223 -0.325 0.000 2.056 25 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 25 L C 2.742 179.515 176.870 -0.162 0.000 1.078 25 L CA 2.899 57.559 54.840 -0.300 0.000 0.749 25 L CB -0.762 40.936 42.059 -0.602 0.000 0.901 25 L HN 0.576 nan 8.230 nan 0.000 0.433 26 T N -3.328 111.126 114.554 -0.167 0.000 2.852 26 T HA 0.065 4.415 4.350 -0.000 0.000 0.256 26 T C 1.224 175.882 174.700 -0.070 0.000 1.038 26 T CA 0.823 62.862 62.100 -0.101 0.000 1.141 26 T CB -0.809 68.001 68.868 -0.098 0.000 0.869 26 T HN 0.349 nan 8.240 nan 0.000 0.439 27 E N 1.564 121.721 120.200 -0.072 0.000 2.280 27 E HA 0.535 4.885 4.350 -0.000 0.000 0.279 27 E C 0.587 177.166 176.600 -0.036 0.000 1.325 27 E CA -0.332 56.041 56.400 -0.045 0.000 1.486 27 E CB -0.519 29.156 29.700 -0.041 0.000 1.466 27 E HN 0.730 nan 8.360 nan 0.000 0.473 28 G N 1.235 110.016 108.800 -0.032 0.000 2.821 28 G HA2 0.429 4.389 3.960 -0.000 0.000 0.289 28 G HA3 0.429 4.389 3.960 -0.000 0.000 0.289 28 G C 0.629 175.520 174.900 -0.015 0.000 0.771 28 G CA 0.259 45.348 45.100 -0.018 0.000 1.908 28 G HN 0.823 nan 8.290 nan 0.000 0.539 29 K N 0.672 121.067 120.400 -0.008 0.000 2.484 29 K HA 0.582 4.902 4.320 -0.000 0.000 0.280 29 K C 0.826 177.405 176.600 -0.035 0.000 1.013 29 K CA 0.416 56.700 56.287 -0.004 0.000 1.029 29 K CB -0.330 32.177 32.500 0.012 0.000 0.902 29 K HN 1.180 nan 8.250 nan 0.000 0.481 30 R N 1.582 122.038 120.500 -0.074 0.000 2.643 30 R HA 0.487 4.827 4.340 -0.000 0.000 0.270 30 R C 0.946 177.039 176.300 -0.345 0.000 1.061 30 R CA 0.432 56.392 56.100 -0.234 0.000 1.107 30 R CB -0.484 29.613 30.300 -0.339 0.000 0.999 30 R HN 1.402 nan 8.270 nan 0.000 0.460 31 T N -1.522 112.795 114.554 -0.395 0.000 2.945 31 T HA 0.693 5.043 4.350 -0.000 0.000 0.286 31 T C -0.776 173.566 174.700 -0.598 0.000 1.025 31 T CA -0.548 61.372 62.100 -0.300 0.000 1.039 31 T CB 1.162 70.018 68.868 -0.021 0.000 1.068 31 T HN 0.529 nan 8.240 nan 0.000 0.497 32 Y N -0.243 119.958 120.300 -0.164 0.000 2.349 32 Y HA 0.618 5.167 4.550 -0.000 0.000 0.324 32 Y C 0.500 176.122 175.900 -0.462 0.000 1.005 32 Y CA -0.859 56.918 58.100 -0.538 0.000 1.240 32 Y CB 2.026 39.849 38.460 -1.061 0.000 1.117 32 Y HN 1.177 nan 8.280 nan 0.000 0.463 33 G N 3.043 111.796 108.800 -0.078 0.000 2.495 33 G HA2 0.708 4.668 3.960 -0.000 0.000 0.318 33 G HA3 0.708 4.668 3.960 -0.000 0.000 0.318 33 G C -1.607 173.443 174.900 0.249 0.000 1.257 33 G CA -0.891 44.238 45.100 0.048 0.000 0.962 33 G HN 0.507 nan 8.290 nan 0.000 0.483 34 L N -0.925 120.432 121.223 0.224 0.000 2.333 34 L HA 0.911 5.251 4.340 -0.000 0.000 0.263 34 L C -0.349 176.583 176.870 0.104 0.000 1.014 34 L CA -1.429 53.500 54.840 0.147 0.000 0.820 34 L CB 2.292 44.294 42.059 -0.096 0.000 1.352 34 L HN 0.532 nan 8.230 nan 0.000 0.421 35 R N 1.262 121.841 120.500 0.132 0.000 2.483 35 R HA 0.682 5.022 4.340 -0.000 0.000 0.303 35 R C -1.536 174.863 176.300 0.166 0.000 0.987 35 R CA -0.670 55.472 56.100 0.070 0.000 0.881 35 R CB 1.952 32.218 30.300 -0.056 0.000 1.177 35 R HN 0.703 nan 8.270 nan 0.000 0.451 36 V N 3.901 123.884 119.914 0.116 0.000 2.655 36 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 36 V C 0.666 176.817 176.094 0.096 0.000 1.044 36 V CA -0.193 62.139 62.300 0.055 0.000 1.095 36 V CB 0.911 32.793 31.823 0.098 0.000 0.952 36 V HN 0.659 nan 8.190 nan 0.000 0.485 37 N N 3.510 122.166 118.700 -0.074 0.000 2.466 37 N HA 0.001 4.741 4.740 -0.000 0.000 0.263 37 N C 1.329 176.713 175.510 -0.211 0.000 1.178 37 N CA 0.480 53.324 53.050 -0.343 0.000 0.983 37 N CB 0.954 38.799 38.487 -1.069 0.000 1.331 37 N HN 0.873 nan 8.380 nan 0.000 0.500 38 T N 0.535 115.070 114.554 -0.032 0.000 3.072 38 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 38 T C 1.922 176.610 174.700 -0.020 0.000 1.127 38 T CA 0.479 62.584 62.100 0.009 0.000 1.107 38 T CB -0.111 68.800 68.868 0.073 0.000 0.910 38 T HN 0.403 nan 8.240 nan 0.000 0.513 39 L N -0.178 120.985 121.223 -0.101 0.000 2.141 39 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 39 L C 2.807 179.629 176.870 -0.081 0.000 1.094 39 L CA 1.304 56.083 54.840 -0.102 0.000 0.763 39 L CB -0.344 41.599 42.059 -0.194 0.000 0.908 39 L HN 0.269 nan 8.230 nan 0.000 0.437 40 K N -0.256 120.069 120.400 -0.125 0.000 2.244 40 K HA 0.247 4.567 4.320 -0.000 0.000 0.200 40 K C 0.210 176.907 176.600 0.162 0.000 1.052 40 K CA 0.430 56.720 56.287 0.006 0.000 0.980 40 K CB 0.580 32.994 32.500 -0.144 0.000 0.838 40 K HN 0.147 nan 8.250 nan 0.000 0.481 41 L N -1.855 119.402 121.223 0.056 0.000 2.653 41 L HA 0.568 4.908 4.340 -0.000 0.000 0.257 41 L C -3.274 173.650 176.870 0.091 0.000 0.969 41 L CA -2.338 52.579 54.840 0.129 0.000 0.869 41 L CB 2.101 44.270 42.059 0.184 0.000 1.439 41 L HN -0.230 nan 8.230 nan 0.000 0.414 42 P HA 0.373 nan 4.420 nan 0.000 0.274 42 P C -2.385 175.015 177.300 0.167 0.000 1.246 42 P CA -1.571 61.598 63.100 0.115 0.000 0.795 42 P CB 0.150 31.911 31.700 0.101 0.000 1.006 43 P HA -0.184 nan 4.420 nan 0.000 0.216 43 P C 1.457 178.962 177.300 0.341 0.000 1.150 43 P CA 1.566 64.872 63.100 0.343 0.000 0.837 43 P CB -0.183 31.697 31.700 0.300 0.000 0.786 44 E N 0.152 120.487 120.200 0.225 0.000 2.150 44 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 44 E C 1.841 178.498 176.600 0.094 0.000 0.985 44 E CA 1.560 58.055 56.400 0.159 0.000 0.814 44 E CB -1.136 28.633 29.700 0.116 0.000 0.752 44 E HN 0.149 nan 8.360 nan 0.000 0.466 45 A N 1.051 123.936 122.820 0.109 0.000 1.897 45 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 45 A C 2.012 179.617 177.584 0.035 0.000 1.181 45 A CA 1.086 53.168 52.037 0.075 0.000 0.620 45 A CB -0.909 18.159 19.000 0.112 0.000 0.821 45 A HN 0.297 nan 8.150 nan 0.000 0.443 46 F N 0.642 120.572 119.950 -0.034 0.000 2.134 46 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 46 F C 2.434 178.140 175.800 -0.158 0.000 1.097 46 F CA 2.166 60.099 58.000 -0.111 0.000 1.264 46 F CB -0.363 38.592 39.000 -0.074 0.000 1.001 46 F HN 0.383 nan 8.300 nan 0.000 0.479 47 Q N 0.152 119.831 119.800 -0.201 0.000 2.124 47 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 47 Q C 2.315 178.131 176.000 -0.307 0.000 0.977 47 Q CA 1.696 57.291 55.803 -0.347 0.000 0.850 47 Q CB -0.122 28.478 28.738 -0.230 0.000 0.901 47 Q HN 0.399 nan 8.270 nan 0.000 0.429 48 R N 0.118 120.494 120.500 -0.207 0.000 2.120 48 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 48 R C 2.146 178.314 176.300 -0.220 0.000 1.123 48 R CA 1.581 57.584 56.100 -0.161 0.000 0.975 48 R CB -0.292 29.959 30.300 -0.083 0.000 0.866 48 R HN 0.519 nan 8.270 nan 0.000 0.446 49 I N -2.481 117.885 120.570 -0.341 0.000 3.956 49 I HA 0.184 4.354 4.170 -0.000 0.000 0.333 49 I C 0.495 176.340 176.117 -0.453 0.000 1.302 49 I CA -0.352 60.763 61.300 -0.309 0.000 1.122 49 I CB 0.576 38.440 38.000 -0.227 0.000 1.013 49 I HN -0.190 nan 8.210 nan 0.000 0.405 50 S N 2.714 117.981 115.700 -0.722 0.000 2.537 50 S HA 0.227 4.697 4.470 -0.000 0.000 0.286 50 S C -1.243 172.989 174.600 -0.612 0.000 1.299 50 S CA -0.815 56.913 58.200 -0.787 0.000 1.067 50 S CB 0.613 63.442 63.200 -0.618 0.000 0.864 50 S HN 0.155 nan 8.310 nan 0.000 0.494 51 P HA 0.112 nan 4.420 nan 0.000 0.237 51 P C -0.630 176.162 177.300 -0.846 0.000 1.178 51 P CA 0.589 63.079 63.100 -1.015 0.000 0.766 51 P CB 0.167 31.001 31.700 -1.444 0.000 0.876 52 W N -0.049 121.206 121.300 -0.075 0.000 2.936 52 W HA 0.356 5.016 4.660 -0.000 0.000 0.338 52 W C -2.556 173.933 176.519 -0.049 0.000 1.121 52 W CA -2.626 54.692 57.345 -0.046 0.000 1.209 52 W CB 0.335 29.778 29.460 -0.028 0.000 1.420 52 W HN -0.284 nan 8.180 nan 0.000 0.516 53 P HA 0.251 nan 4.420 nan 0.000 0.271 53 P C -0.520 176.874 177.300 0.157 0.000 1.216 53 P CA 0.300 63.468 63.100 0.112 0.000 0.776 53 P CB 1.369 33.125 31.700 0.093 0.000 0.881 54 L N 3.147 124.432 121.223 0.104 0.000 2.341 54 L HA 0.598 4.938 4.340 -0.000 0.000 0.267 54 L C 0.746 177.762 176.870 0.244 0.000 1.009 54 L CA -0.979 53.956 54.840 0.159 0.000 0.819 54 L CB 2.118 44.123 42.059 -0.090 0.000 1.323 54 L HN 0.268 nan 8.230 nan 0.000 0.425 55 R N 1.303 122.025 120.500 0.371 0.000 2.621 55 R HA 0.473 4.813 4.340 -0.000 0.000 0.292 55 R C -2.672 173.866 176.300 0.397 0.000 0.969 55 R CA -1.901 54.414 56.100 0.359 0.000 0.887 55 R CB 1.976 32.456 30.300 0.301 0.000 1.180 55 R HN 0.251 nan 8.270 nan 0.000 0.450 56 P HA 0.099 nan 4.420 nan 0.000 0.271 56 P C -0.369 176.778 177.300 -0.255 0.000 1.216 56 P CA -0.017 63.016 63.100 -0.111 0.000 0.776 56 P CB 0.577 32.219 31.700 -0.096 0.000 0.881 57 I N 5.709 125.897 120.570 -0.637 0.000 2.396 57 I HA 0.103 4.273 4.170 -0.000 0.000 0.289 57 I C -1.272 174.344 176.117 -0.834 0.000 1.056 57 I CA -1.912 58.816 61.300 -0.954 0.000 1.365 57 I CB 1.180 38.449 38.000 -1.218 0.000 1.407 57 I HN 0.268 nan 8.210 nan 0.000 0.509 58 P HA -0.148 nan 4.420 nan 0.000 0.218 58 P C 0.764 177.863 177.300 -0.334 0.000 1.148 58 P CA 1.412 64.236 63.100 -0.461 0.000 0.822 58 P CB 0.006 31.401 31.700 -0.509 0.000 0.784 59 W N -2.901 118.258 121.300 -0.235 0.000 3.316 59 W HA 0.448 5.108 4.660 -0.000 0.000 0.327 59 W C -0.304 176.177 176.519 -0.064 0.000 1.232 59 W CA -0.634 56.627 57.345 -0.139 0.000 1.805 59 W CB -0.809 28.597 29.460 -0.090 0.000 1.090 59 W HN -0.129 nan 8.180 nan 0.000 0.654 60 C N 3.259 122.394 119.300 -0.275 0.000 2.571 60 C HA 0.286 4.746 4.460 -0.000 0.000 0.343 60 C C 1.385 176.229 174.990 -0.244 0.000 1.082 60 C CA -0.629 58.296 59.018 -0.155 0.000 1.339 60 C CB 0.387 28.034 27.740 -0.155 0.000 1.893 60 C HN 0.384 nan 8.230 nan 0.000 0.445 61 Q N 1.865 121.586 119.800 -0.133 0.000 2.234 61 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 61 Q C 1.850 177.718 176.000 -0.221 0.000 0.980 61 Q CA 1.836 57.546 55.803 -0.155 0.000 0.869 61 Q CB 0.044 28.750 28.738 -0.053 0.000 0.912 61 Q HN 0.906 nan 8.270 nan 0.000 0.436 62 E N 0.124 120.226 120.200 -0.163 0.000 2.465 62 E HA 0.147 4.497 4.350 -0.000 0.000 0.191 62 E C 0.233 176.684 176.600 -0.248 0.000 1.053 62 E CA 0.297 56.620 56.400 -0.129 0.000 0.869 62 E CB 0.189 29.894 29.700 0.007 0.000 0.977 62 E HN 0.171 nan 8.360 nan 0.000 0.483 63 G N 0.575 109.094 108.800 -0.468 0.000 2.417 63 G HA2 0.544 4.504 3.960 -0.000 0.000 0.334 63 G HA3 0.544 4.504 3.960 -0.000 0.000 0.334 63 G C -1.357 173.054 174.900 -0.814 0.000 1.150 63 G CA -0.572 44.242 45.100 -0.477 0.000 0.923 63 G HN 0.048 nan 8.290 nan 0.000 0.485 64 F N -0.695 119.134 119.950 -0.201 0.000 2.591 64 F HA 0.403 4.930 4.527 -0.000 0.000 0.309 64 F C -0.805 174.886 175.800 -0.182 0.000 1.098 64 F CA -0.854 57.054 58.000 -0.154 0.000 0.937 64 F CB 1.950 40.979 39.000 0.048 0.000 1.250 64 F HN 0.367 nan 8.300 nan 0.000 0.447 65 Y N 1.997 122.401 120.300 0.174 0.000 2.346 65 Y HA 0.357 4.907 4.550 -0.000 0.000 0.330 65 Y C -0.092 175.905 175.900 0.162 0.000 1.178 65 Y CA -0.634 57.514 58.100 0.081 0.000 1.331 65 Y CB 0.314 38.786 38.460 0.020 0.000 1.253 65 Y HN 0.483 nan 8.280 nan 0.000 0.529 66 Y N 0.696 121.121 120.300 0.209 0.000 2.598 66 Y HA 0.819 5.369 4.550 -0.000 0.000 0.340 66 Y C -3.130 172.739 175.900 -0.052 0.000 1.038 66 Y CA -4.073 54.054 58.100 0.045 0.000 1.100 66 Y CB 0.425 38.807 38.460 -0.130 0.000 1.281 66 Y HN 0.318 nan 8.280 nan 0.000 0.488 67 P HA 0.088 nan 4.420 nan 0.000 0.271 67 P C 0.477 177.579 177.300 -0.329 0.000 1.218 67 P CA -0.079 62.971 63.100 -0.084 0.000 0.780 67 P CB 1.018 32.712 31.700 -0.009 0.000 0.901 68 E N 1.878 121.770 120.200 -0.512 0.000 2.160 68 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 68 E C 0.817 177.101 176.600 -0.526 0.000 0.991 68 E CA 1.230 57.075 56.400 -0.925 0.000 0.810 68 E CB 0.093 29.493 29.700 -0.500 0.000 0.742 68 E HN 0.374 nan 8.360 nan 0.000 0.466 69 E N -0.025 120.017 120.200 -0.262 0.000 2.478 69 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 69 E C 0.156 176.677 176.600 -0.132 0.000 1.045 69 E CA 0.295 56.608 56.400 -0.145 0.000 0.868 69 E CB 0.564 30.221 29.700 -0.072 0.000 0.885 69 E HN 0.254 nan 8.360 nan 0.000 0.505 70 A N 1.392 124.089 122.820 -0.204 0.000 2.386 70 A HA 0.316 4.636 4.320 -0.000 0.000 0.248 70 A C 0.229 177.560 177.584 -0.421 0.000 1.082 70 A CA -0.118 51.690 52.037 -0.382 0.000 0.789 70 A CB 0.289 18.814 19.000 -0.792 0.000 1.025 70 A HN 0.032 nan 8.150 nan 0.000 0.490 71 R N 2.033 122.289 120.500 -0.407 0.000 2.587 71 R HA 0.250 4.589 4.340 -0.000 0.000 0.283 71 R C -2.279 173.856 176.300 -0.276 0.000 1.472 71 R CA -1.346 54.605 56.100 -0.249 0.000 1.578 71 R CB 0.945 31.225 30.300 -0.033 0.000 1.130 71 R HN 0.494 nan 8.270 nan 0.000 0.602 72 P HA -0.027 nan 4.420 nan 0.000 0.229 72 P C 1.304 178.622 177.300 0.030 0.000 1.160 72 P CA 0.668 63.504 63.100 -0.440 0.000 0.777 72 P CB 0.439 31.473 31.700 -1.111 0.000 0.814 73 G N 1.663 110.361 108.800 -0.170 0.000 2.464 73 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.214 73 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.214 73 G C -1.195 173.569 174.900 -0.227 0.000 1.218 73 G CA 0.605 45.468 45.100 -0.396 0.000 0.794 73 G HN 0.273 nan 8.290 nan 0.000 0.542 74 P HA 0.162 nan 4.420 nan 0.000 0.220 74 P C -0.907 176.573 177.300 0.300 0.000 1.806 74 P CA 0.307 63.516 63.100 0.181 0.000 0.976 74 P CB -0.182 31.579 31.700 0.103 0.000 1.952 75 H N 1.640 120.895 119.070 0.308 0.000 2.930 75 H HA 0.270 4.826 4.556 -0.000 0.000 0.371 75 H C -2.188 173.359 175.328 0.365 0.000 1.169 75 H CA -1.885 54.335 56.048 0.287 0.000 1.157 75 H CB 2.679 32.658 29.762 0.361 0.000 1.789 75 H HN -0.190 nan 8.280 nan 0.000 0.547 76 P HA -0.117 nan 4.420 nan 0.000 0.219 76 P C 1.379 178.961 177.300 0.469 0.000 1.146 76 P CA 0.956 64.186 63.100 0.218 0.000 0.808 76 P CB 0.012 31.702 31.700 -0.018 0.000 0.779 77 F N -1.691 118.599 119.950 0.566 0.000 2.293 77 F HA -0.065 4.461 4.527 -0.000 0.000 0.300 77 F C 2.220 177.896 175.800 -0.207 0.000 1.086 77 F CA 0.107 58.243 58.000 0.226 0.000 1.375 77 F CB -1.748 37.477 39.000 0.375 0.000 1.045 77 F HN -0.101 nan 8.300 nan 0.000 0.516 78 F N -0.317 119.623 119.950 -0.018 0.000 2.113 78 F HA -0.239 4.288 4.527 -0.000 0.000 0.297 78 F C 2.172 177.764 175.800 -0.347 0.000 1.103 78 F CA 1.621 59.400 58.000 -0.369 0.000 1.248 78 F CB -0.811 38.026 39.000 -0.270 0.000 0.999 78 F HN -0.099 nan 8.300 nan 0.000 0.475 79 Y N 0.087 120.470 120.300 0.138 0.000 2.439 79 Y HA 0.056 4.606 4.550 -0.000 0.000 0.292 79 Y C 2.409 178.290 175.900 -0.030 0.000 1.130 79 Y CA 0.812 58.938 58.100 0.043 0.000 1.254 79 Y CB -1.019 37.542 38.460 0.167 0.000 1.000 79 Y HN 0.159 nan 8.280 nan 0.000 0.554 80 A N -0.211 122.668 122.820 0.099 0.000 2.235 80 A HA 0.322 4.642 4.320 -0.000 0.000 0.208 80 A C 2.041 179.528 177.584 -0.161 0.000 1.172 80 A CA 0.793 52.849 52.037 0.031 0.000 0.786 80 A CB -1.155 17.922 19.000 0.128 0.000 0.804 80 A HN 0.565 nan 8.150 nan 0.000 0.479 81 G N -0.658 107.963 108.800 -0.298 0.000 2.198 81 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 81 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 81 G C 0.661 175.262 174.900 -0.497 0.000 1.025 81 G CA 0.514 45.397 45.100 -0.362 0.000 0.769 81 G HN 0.468 nan 8.290 nan 0.000 0.507 82 L N -1.566 119.314 121.223 -0.572 0.000 2.313 82 L HA 0.208 4.548 4.340 -0.000 0.000 0.214 82 L C 1.271 177.838 176.870 -0.505 0.000 1.119 82 L CA 1.087 55.557 54.840 -0.617 0.000 0.809 82 L CB -0.381 41.298 42.059 -0.633 0.000 0.933 82 L HN 0.639 nan 8.230 nan 0.000 0.449 83 Y N -4.326 115.853 120.300 -0.202 0.000 2.638 83 Y HA 0.518 5.068 4.550 -0.000 0.000 0.335 83 Y C -1.145 174.892 175.900 0.229 0.000 1.155 83 Y CA -2.298 55.784 58.100 -0.031 0.000 1.046 83 Y CB 0.632 38.953 38.460 -0.232 0.000 1.303 83 Y HN -0.158 nan 8.280 nan 0.000 0.460 84 Y N 2.112 122.664 120.300 0.419 0.000 2.360 84 Y HA 0.653 5.203 4.550 -0.000 0.000 0.337 84 Y C -0.510 175.536 175.900 0.243 0.000 1.039 84 Y CA -1.247 56.979 58.100 0.210 0.000 1.109 84 Y CB 1.183 39.549 38.460 -0.156 0.000 1.201 84 Y HN 0.674 nan 8.280 nan 0.000 0.458 85 I N 6.546 127.179 120.570 0.105 0.000 2.294 85 I HA 0.165 4.335 4.170 -0.000 0.000 0.295 85 I C -0.444 175.837 176.117 0.273 0.000 1.098 85 I CA 0.222 61.642 61.300 0.199 0.000 1.277 85 I CB 0.362 38.446 38.000 0.141 0.000 1.434 85 I HN 0.536 nan 8.210 nan 0.000 0.498 86 Q N 6.041 126.016 119.800 0.290 0.000 2.323 86 Q HA 0.207 4.547 4.340 -0.000 0.000 0.271 86 Q C -0.431 175.636 176.000 0.111 0.000 1.048 86 Q CA -0.766 55.174 55.803 0.228 0.000 0.792 86 Q CB 2.097 30.926 28.738 0.151 0.000 1.280 86 Q HN 0.471 nan 8.270 nan 0.000 0.441 87 E N 4.416 124.664 120.200 0.080 0.000 2.502 87 E HA -0.029 4.320 4.350 -0.000 0.000 0.261 87 E C -1.902 174.737 176.600 0.065 0.000 0.974 87 E CA -1.062 55.367 56.400 0.048 0.000 0.936 87 E CB 1.103 30.823 29.700 0.033 0.000 0.926 87 E HN 0.498 nan 8.360 nan 0.000 0.459 88 P HA -0.133 nan 4.420 nan 0.000 0.215 88 P C 1.223 178.761 177.300 0.395 0.000 1.157 88 P CA 1.447 64.629 63.100 0.136 0.000 0.874 88 P CB 0.177 31.995 31.700 0.196 0.000 0.790 89 S N -0.565 115.318 115.700 0.304 0.000 2.382 89 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 89 S C 2.034 176.520 174.600 -0.190 0.000 1.027 89 S CA 1.332 59.563 58.200 0.051 0.000 0.991 89 S CB -1.083 62.055 63.200 -0.104 0.000 0.823 89 S HN 0.154 nan 8.310 nan 0.000 0.469 90 A N 1.286 124.019 122.820 -0.143 0.000 2.070 90 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 90 A C 1.989 179.518 177.584 -0.093 0.000 1.159 90 A CA 1.079 52.976 52.037 -0.233 0.000 0.656 90 A CB -0.501 18.466 19.000 -0.056 0.000 0.800 90 A HN 0.571 nan 8.150 nan 0.000 0.453 91 Q N -0.670 119.169 119.800 0.064 0.000 2.364 91 Q HA -0.053 4.287 4.340 -0.000 0.000 0.207 91 Q C 2.212 178.377 176.000 0.276 0.000 0.970 91 Q CA 0.891 56.788 55.803 0.156 0.000 0.888 91 Q CB -0.352 28.437 28.738 0.084 0.000 0.951 91 Q HN 0.713 nan 8.270 nan 0.000 0.469 92 A N 0.470 123.414 122.820 0.206 0.000 2.070 92 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 92 A C 2.266 179.859 177.584 0.014 0.000 1.159 92 A CA 0.912 53.049 52.037 0.168 0.000 0.656 92 A CB -0.382 18.569 19.000 -0.081 0.000 0.800 92 A HN 0.192 nan 8.150 nan 0.000 0.453 93 V N -0.142 119.722 119.914 -0.084 0.000 2.261 93 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 93 V C 2.844 178.866 176.094 -0.120 0.000 1.047 93 V CA 2.053 64.291 62.300 -0.103 0.000 1.015 93 V CB -1.485 30.278 31.823 -0.100 0.000 0.642 93 V HN 0.572 nan 8.190 nan 0.000 0.446 94 G N -0.302 108.376 108.800 -0.202 0.000 2.422 94 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 94 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 94 G C 1.644 176.275 174.900 -0.448 0.000 1.146 94 G CA 1.196 45.977 45.100 -0.531 0.000 0.769 94 G HN 0.384 nan 8.290 nan 0.000 0.547 95 V N 0.623 120.377 119.914 -0.268 0.000 2.343 95 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 95 V C 2.648 178.717 176.094 -0.042 0.000 1.051 95 V CA 1.563 63.813 62.300 -0.083 0.000 1.036 95 V CB -0.437 31.434 31.823 0.080 0.000 0.654 95 V HN 0.354 nan 8.190 nan 0.000 0.451 96 L N -0.337 120.871 121.223 -0.026 0.000 2.056 96 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 96 L C 2.166 179.023 176.870 -0.022 0.000 1.078 96 L CA 1.811 56.644 54.840 -0.012 0.000 0.749 96 L CB -0.611 41.440 42.059 -0.014 0.000 0.901 96 L HN 0.277 nan 8.230 nan 0.000 0.433 97 L N 0.016 121.212 121.223 -0.045 0.000 2.093 97 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 97 L C 0.656 177.517 176.870 -0.015 0.000 1.085 97 L CA 1.704 56.531 54.840 -0.022 0.000 0.755 97 L CB -0.490 41.546 42.059 -0.038 0.000 0.904 97 L HN 0.554 nan 8.230 nan 0.000 0.435 98 D N -0.855 119.515 120.400 -0.050 0.000 2.705 98 D HA -0.126 4.514 4.640 -0.000 0.000 0.240 98 D C -2.171 174.124 176.300 -0.009 0.000 1.137 98 D CA 0.608 54.590 54.000 -0.031 0.000 0.677 98 D CB -0.637 40.159 40.800 -0.006 0.000 1.049 98 D HN 0.304 nan 8.370 nan 0.000 0.427 99 P HA 0.139 nan 4.420 nan 0.000 0.271 99 P C -0.234 177.069 177.300 0.004 0.000 1.218 99 P CA -0.082 63.024 63.100 0.011 0.000 0.780 99 P CB 0.801 32.510 31.700 0.015 0.000 0.901 100 K N 2.396 122.793 120.400 -0.005 0.000 2.203 100 K HA 0.493 4.813 4.320 -0.000 0.000 0.251 100 K C -2.520 174.063 176.600 -0.029 0.000 0.944 100 K CA -2.694 53.582 56.287 -0.018 0.000 0.829 100 K CB 0.321 32.800 32.500 -0.036 0.000 1.125 100 K HN 0.235 nan 8.250 nan 0.000 0.430 101 P HA -0.025 nan 4.420 nan 0.000 0.262 101 P C 0.673 177.940 177.300 -0.056 0.000 1.182 101 P CA 1.145 64.233 63.100 -0.021 0.000 0.761 101 P CB 0.294 31.989 31.700 -0.009 0.000 0.795 102 G N 1.800 110.566 108.800 -0.057 0.000 2.195 102 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 102 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 102 G C 0.205 175.007 174.900 -0.163 0.000 0.984 102 G CA -0.246 44.798 45.100 -0.094 0.000 0.633 102 G HN 0.533 nan 8.290 nan 0.000 0.525 103 E N 0.135 120.228 120.200 -0.179 0.000 2.369 103 E HA 0.515 4.865 4.350 -0.000 0.000 0.255 103 E C 0.493 177.093 176.600 -0.000 0.000 1.172 103 E CA -0.400 55.848 56.400 -0.254 0.000 0.932 103 E CB 0.502 30.083 29.700 -0.198 0.000 1.040 103 E HN 0.310 nan 8.360 nan 0.000 0.454 104 R N 0.694 121.345 120.500 0.252 0.000 2.295 104 R HA 0.421 4.761 4.340 -0.000 0.000 0.324 104 R C -1.157 175.395 176.300 0.420 0.000 0.968 104 R CA -0.490 55.712 56.100 0.170 0.000 0.837 104 R CB 1.281 31.417 30.300 -0.274 0.000 1.133 104 R HN 0.171 nan 8.270 nan 0.000 0.450 105 V N 4.450 124.607 119.914 0.406 0.000 2.709 105 V HA 0.408 4.528 4.120 -0.000 0.000 0.308 105 V C -1.104 175.060 176.094 0.118 0.000 1.062 105 V CA -0.951 61.517 62.300 0.280 0.000 0.901 105 V CB 2.205 34.112 31.823 0.141 0.000 1.003 105 V HN 0.484 nan 8.190 nan 0.000 0.425 106 L N 3.562 124.697 121.223 -0.147 0.000 2.349 106 L HA 0.708 5.048 4.340 -0.000 0.000 0.278 106 L C -0.922 175.839 176.870 -0.182 0.000 0.996 106 L CA -0.018 54.604 54.840 -0.363 0.000 0.825 106 L CB 1.689 43.173 42.059 -0.958 0.000 1.243 106 L HN 0.691 nan 8.230 nan 0.000 0.412 107 D N 4.358 124.687 120.400 -0.118 0.000 2.427 107 D HA 0.236 4.876 4.640 -0.000 0.000 0.226 107 D C 0.833 177.085 176.300 -0.079 0.000 1.076 107 D CA -0.075 53.875 54.000 -0.083 0.000 0.849 107 D CB 0.982 41.743 40.800 -0.066 0.000 1.052 107 D HN 0.670 nan 8.370 nan 0.000 0.515 108 L N 2.284 123.461 121.223 -0.077 0.000 2.217 108 L HA 0.115 4.455 4.340 -0.000 0.000 0.211 108 L C 0.985 177.827 176.870 -0.047 0.000 1.107 108 L CA 0.641 55.442 54.840 -0.065 0.000 0.783 108 L CB 0.064 42.086 42.059 -0.063 0.000 0.919 108 L HN 0.441 nan 8.230 nan 0.000 0.442 109 A N -1.194 121.598 122.820 -0.045 0.000 3.082 109 A HA 0.635 4.955 4.320 -0.000 0.000 0.328 109 A C 0.615 178.173 177.584 -0.044 0.000 1.089 109 A CA 0.044 52.057 52.037 -0.040 0.000 0.802 109 A CB 0.632 19.610 19.000 -0.036 0.000 1.138 109 A HN 0.141 nan 8.150 nan 0.000 0.474 110 A N 0.866 123.661 122.820 -0.043 0.000 2.030 110 A HA 0.571 4.891 4.320 -0.000 0.000 0.215 110 A C 1.456 179.012 177.584 -0.048 0.000 1.164 110 A CA 1.028 53.034 52.037 -0.051 0.000 0.697 110 A CB -0.231 18.741 19.000 -0.048 0.000 0.827 110 A HN 1.645 nan 8.150 nan 0.000 0.457 111 A N 0.792 123.593 122.820 -0.032 0.000 2.462 111 A HA 0.477 4.797 4.320 -0.000 0.000 0.243 111 A C -0.977 176.598 177.584 -0.014 0.000 1.076 111 A CA -0.656 51.370 52.037 -0.018 0.000 0.773 111 A CB 0.048 19.042 19.000 -0.011 0.000 1.010 111 A HN 0.270 nan 8.150 nan 0.000 0.493 112 P HA 0.187 nan 4.420 nan 0.000 0.255 112 P C 0.690 178.018 177.300 0.047 0.000 1.248 112 P CA 1.053 64.178 63.100 0.041 0.000 0.807 112 P CB 0.635 32.384 31.700 0.081 0.000 1.150 113 G N -0.907 107.874 108.800 -0.031 0.000 2.198 113 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.156 113 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.156 113 G C 1.068 175.700 174.900 -0.446 0.000 1.012 113 G CA -0.098 44.918 45.100 -0.139 0.000 0.692 113 G HN 0.428 nan 8.290 nan 0.000 0.492 114 G N 0.702 109.192 108.800 -0.516 0.000 2.418 114 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.217 114 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.217 114 G C 1.606 176.124 174.900 -0.637 0.000 1.158 114 G CA 1.748 46.232 45.100 -1.026 0.000 0.771 114 G HN 0.531 nan 8.290 nan 0.000 0.545 115 K N 0.166 120.371 120.400 -0.326 0.000 2.116 115 K HA 0.087 4.407 4.320 -0.000 0.000 0.203 115 K C 2.729 179.212 176.600 -0.195 0.000 1.052 115 K CA 1.186 57.360 56.287 -0.188 0.000 0.952 115 K CB -0.511 31.921 32.500 -0.115 0.000 0.729 115 K HN 0.190 nan 8.250 nan 0.000 0.446 116 T N 0.536 114.954 114.554 -0.227 0.000 2.652 116 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 116 T C 1.998 176.546 174.700 -0.254 0.000 1.039 116 T CA 2.165 64.153 62.100 -0.187 0.000 1.153 116 T CB -0.724 68.049 68.868 -0.159 0.000 0.863 116 T HN 0.539 nan 8.240 nan 0.000 0.428 117 T N -0.258 113.990 114.554 -0.510 0.000 2.867 117 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 117 T C 1.746 176.149 174.700 -0.496 0.000 1.057 117 T CA 1.509 63.074 62.100 -0.891 0.000 1.136 117 T CB -0.698 67.086 68.868 -1.807 0.000 0.874 117 T HN 0.631 nan 8.240 nan 0.000 0.466 118 H N 0.231 119.029 119.070 -0.454 0.000 2.321 118 H HA 0.009 4.565 4.556 -0.000 0.000 0.300 118 H C 1.971 177.268 175.328 -0.053 0.000 1.087 118 H CA 0.841 56.777 56.048 -0.188 0.000 1.319 118 H CB -0.022 29.627 29.762 -0.189 0.000 1.379 118 H HN 0.156 nan 8.280 nan 0.000 0.501 119 L N 0.780 122.013 121.223 0.018 0.000 2.042 119 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 119 L C 2.820 179.732 176.870 0.070 0.000 1.076 119 L CA 1.774 56.612 54.840 -0.004 0.000 0.749 119 L CB -1.279 40.763 42.059 -0.029 0.000 0.893 119 L HN 0.381 nan 8.230 nan 0.000 0.432 120 A N -0.784 122.095 122.820 0.099 0.000 1.902 120 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 120 A C 2.495 180.228 177.584 0.249 0.000 1.181 120 A CA 1.919 54.065 52.037 0.181 0.000 0.623 120 A CB -0.890 18.258 19.000 0.246 0.000 0.818 120 A HN 0.399 nan 8.150 nan 0.000 0.443 121 A N -0.370 122.676 122.820 0.376 0.000 1.898 121 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 121 A C 2.234 179.936 177.584 0.197 0.000 1.181 121 A CA 1.353 53.588 52.037 0.331 0.000 0.620 121 A CB -0.465 18.818 19.000 0.471 0.000 0.819 121 A HN 0.495 nan 8.150 nan 0.000 0.442 122 R N -0.938 119.668 120.500 0.175 0.000 2.152 122 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 122 R C 1.704 178.044 176.300 0.067 0.000 1.117 122 R CA 1.379 57.539 56.100 0.100 0.000 0.981 122 R CB -0.375 29.950 30.300 0.041 0.000 0.870 122 R HN 0.561 nan 8.270 nan 0.000 0.451 123 M N -0.350 119.292 119.600 0.071 0.000 2.618 123 M HA 0.092 4.572 4.480 -0.000 0.000 0.240 123 M C 0.924 177.255 176.300 0.052 0.000 1.123 123 M CA 0.636 55.966 55.300 0.050 0.000 1.060 123 M CB 0.378 33.010 32.600 0.053 0.000 1.535 123 M HN 0.353 nan 8.290 nan 0.000 0.507 124 G N 0.777 109.618 108.800 0.068 0.000 2.233 124 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.270 124 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.270 124 G C 0.859 175.792 174.900 0.054 0.000 1.011 124 G CA 0.391 45.524 45.100 0.056 0.000 0.762 124 G HN 0.791 nan 8.290 nan 0.000 0.511 125 G N -1.548 107.295 108.800 0.073 0.000 2.155 125 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 125 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 125 G C 0.276 175.208 174.900 0.054 0.000 0.983 125 G CA 1.320 46.463 45.100 0.072 0.000 0.676 125 G HN 1.044 nan 8.290 nan 0.000 0.528 126 K N -0.002 120.422 120.400 0.040 0.000 2.182 126 K HA 0.641 4.961 4.320 -0.000 0.000 0.262 126 K C 0.795 177.404 176.600 0.013 0.000 0.957 126 K CA 0.013 56.314 56.287 0.024 0.000 0.842 126 K CB 1.858 34.365 32.500 0.012 0.000 1.099 126 K HN 1.253 nan 8.250 nan 0.000 0.438 127 G N 1.248 110.052 108.800 0.006 0.000 2.472 127 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.205 127 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.205 127 G C -1.929 172.983 174.900 0.020 0.000 1.270 127 G CA -0.726 44.370 45.100 -0.007 0.000 0.974 127 G HN 0.468 nan 8.290 nan 0.000 0.542 128 L N -0.155 121.086 121.223 0.030 0.000 2.325 128 L HA 0.898 5.238 4.340 -0.000 0.000 0.281 128 L C -0.721 176.220 176.870 0.118 0.000 1.004 128 L CA -0.959 53.922 54.840 0.067 0.000 0.823 128 L CB 1.464 43.551 42.059 0.047 0.000 1.236 128 L HN 1.147 nan 8.230 nan 0.000 0.415 129 L N 6.101 127.391 121.223 0.112 0.000 2.319 129 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 129 L C -1.638 175.296 176.870 0.107 0.000 1.005 129 L CA -0.260 54.647 54.840 0.111 0.000 0.828 129 L CB 1.527 43.634 42.059 0.080 0.000 1.227 129 L HN 0.723 nan 8.230 nan 0.000 0.415 130 L N 5.247 126.538 121.223 0.114 0.000 2.305 130 L HA 0.859 5.199 4.340 -0.000 0.000 0.284 130 L C -0.469 176.414 176.870 0.021 0.000 1.013 130 L CA -0.406 54.486 54.840 0.087 0.000 0.819 130 L CB 1.460 43.609 42.059 0.149 0.000 1.227 130 L HN 0.846 nan 8.230 nan 0.000 0.417 131 A N 4.226 127.057 122.820 0.019 0.000 2.267 131 A HA 0.463 4.783 4.320 -0.000 0.000 0.315 131 A C -0.800 176.782 177.584 -0.003 0.000 1.297 131 A CA -0.599 51.434 52.037 -0.008 0.000 0.865 131 A CB 0.531 19.524 19.000 -0.012 0.000 1.165 131 A HN 0.762 nan 8.150 nan 0.000 0.513 132 N N 1.320 120.011 118.700 -0.015 0.000 2.443 132 N HA 0.519 5.259 4.740 -0.000 0.000 0.295 132 N C -0.937 174.560 175.510 -0.021 0.000 1.076 132 N CA -0.131 52.913 53.050 -0.009 0.000 0.919 132 N CB 1.370 39.852 38.487 -0.008 0.000 1.176 132 N HN 0.532 nan 8.380 nan 0.000 0.487 133 E N 2.855 123.043 120.200 -0.019 0.000 2.343 133 E HA 0.188 4.538 4.350 -0.000 0.000 0.260 133 E C -0.574 176.012 176.600 -0.024 0.000 0.908 133 E CA -0.593 55.793 56.400 -0.024 0.000 0.814 133 E CB 0.891 30.577 29.700 -0.023 0.000 1.302 133 E HN 0.286 nan 8.360 nan 0.000 0.408 134 V N 3.305 123.204 119.914 -0.026 0.000 2.626 134 V HA -0.035 4.085 4.120 -0.000 0.000 0.252 134 V C 0.235 176.314 176.094 -0.025 0.000 1.067 134 V CA 1.749 64.033 62.300 -0.026 0.000 1.081 134 V CB 0.010 31.816 31.823 -0.028 0.000 0.686 134 V HN 0.691 nan 8.190 nan 0.000 0.468 135 D N -0.099 120.286 120.400 -0.024 0.000 2.393 135 D HA 0.246 4.886 4.640 -0.000 0.000 0.232 135 D C 1.327 177.613 176.300 -0.023 0.000 1.192 135 D CA 0.604 54.590 54.000 -0.022 0.000 0.882 135 D CB 1.038 41.826 40.800 -0.021 0.000 1.038 135 D HN 0.248 nan 8.370 nan 0.000 0.499 136 G N 3.803 112.588 108.800 -0.023 0.000 2.462 136 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 136 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 136 G C 1.357 176.242 174.900 -0.025 0.000 1.121 136 G CA 0.488 45.572 45.100 -0.026 0.000 0.758 136 G HN 0.497 nan 8.290 nan 0.000 0.559 137 K N -0.108 120.279 120.400 -0.021 0.000 2.362 137 K HA 0.019 4.339 4.320 -0.000 0.000 0.200 137 K C 2.226 178.816 176.600 -0.016 0.000 1.046 137 K CA 0.538 56.814 56.287 -0.018 0.000 0.952 137 K CB 0.002 32.494 32.500 -0.014 0.000 0.753 137 K HN 0.242 nan 8.250 nan 0.000 0.466 138 R N -0.018 120.472 120.500 -0.016 0.000 2.362 138 R HA 0.096 4.436 4.340 -0.000 0.000 0.227 138 R C 1.762 178.055 176.300 -0.013 0.000 0.905 138 R CA -0.076 56.017 56.100 -0.012 0.000 1.067 138 R CB 0.338 30.631 30.300 -0.012 0.000 1.078 138 R HN -0.070 nan 8.270 nan 0.000 0.516 139 V N 1.341 121.242 119.914 -0.021 0.000 2.358 139 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 139 V C 2.502 178.581 176.094 -0.025 0.000 1.047 139 V CA 1.743 64.027 62.300 -0.026 0.000 1.035 139 V CB -0.475 31.326 31.823 -0.037 0.000 0.658 139 V HN 0.296 nan 8.190 nan 0.000 0.452 140 R N 0.446 120.929 120.500 -0.028 0.000 2.083 140 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 140 R C 2.302 178.601 176.300 -0.002 0.000 1.137 140 R CA 2.043 58.128 56.100 -0.026 0.000 0.951 140 R CB -0.778 29.506 30.300 -0.027 0.000 0.851 140 R HN 0.522 nan 8.270 nan 0.000 0.434 141 G N 1.114 109.919 108.800 0.009 0.000 2.408 141 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 141 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 141 G C 1.319 176.241 174.900 0.038 0.000 1.150 141 G CA 0.626 45.743 45.100 0.029 0.000 0.776 141 G HN 0.336 nan 8.290 nan 0.000 0.542 142 L N 0.556 121.792 121.223 0.023 0.000 2.017 142 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 142 L C 2.642 179.529 176.870 0.028 0.000 1.073 142 L CA 1.409 56.263 54.840 0.023 0.000 0.745 142 L CB -0.494 41.565 42.059 0.002 0.000 0.894 142 L HN 0.201 nan 8.230 nan 0.000 0.432 143 L N -0.673 120.559 121.223 0.015 0.000 2.083 143 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 143 L C 2.512 179.409 176.870 0.044 0.000 1.083 143 L CA 1.436 56.288 54.840 0.021 0.000 0.752 143 L CB -0.672 41.379 42.059 -0.013 0.000 0.899 143 L HN 0.363 nan 8.230 nan 0.000 0.433 144 E N 0.040 120.268 120.200 0.046 0.000 2.118 144 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 144 E C 1.929 178.572 176.600 0.073 0.000 0.992 144 E CA 1.142 57.582 56.400 0.067 0.000 0.804 144 E CB -0.063 29.683 29.700 0.077 0.000 0.741 144 E HN 0.480 nan 8.360 nan 0.000 0.458 145 N N 0.263 119.009 118.700 0.076 0.000 2.171 145 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 145 N C 1.987 177.562 175.510 0.107 0.000 1.021 145 N CA 0.717 53.821 53.050 0.091 0.000 0.854 145 N CB -0.242 38.343 38.487 0.164 0.000 0.994 145 N HN -0.002 nan 8.380 nan 0.000 0.426 146 V N 1.901 121.868 119.914 0.088 0.000 2.324 146 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 146 V C 2.411 178.593 176.094 0.147 0.000 1.060 146 V CA 1.752 64.118 62.300 0.111 0.000 1.042 146 V CB -0.516 31.356 31.823 0.082 0.000 0.650 146 V HN 0.404 nan 8.190 nan 0.000 0.450 147 E N 0.082 120.352 120.200 0.117 0.000 2.085 147 E HA -0.249 4.100 4.350 -0.000 0.000 0.194 147 E C 2.392 179.047 176.600 0.092 0.000 0.994 147 E CA 1.346 57.813 56.400 0.111 0.000 0.801 147 E CB -0.074 29.688 29.700 0.104 0.000 0.743 147 E HN 0.523 nan 8.360 nan 0.000 0.453 148 R N -0.547 120.004 120.500 0.084 0.000 2.235 148 R HA -0.068 4.272 4.340 -0.000 0.000 0.213 148 R C 2.015 178.366 176.300 0.085 0.000 1.059 148 R CA 0.873 56.993 56.100 0.033 0.000 0.997 148 R CB -0.183 30.061 30.300 -0.094 0.000 0.884 148 R HN 0.477 nan 8.270 nan 0.000 0.462 149 W N 0.351 121.611 121.300 -0.067 0.000 2.640 149 W HA -0.001 4.659 4.660 -0.000 0.000 0.268 149 W C 0.598 177.087 176.519 -0.049 0.000 1.263 149 W CA 1.276 58.588 57.345 -0.055 0.000 1.344 149 W CB 0.508 29.962 29.460 -0.010 0.000 1.093 149 W HN 0.310 nan 8.180 nan 0.000 0.603 150 G N 0.822 109.639 108.800 0.029 0.000 2.132 150 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.234 150 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.234 150 G C -0.204 174.680 174.900 -0.026 0.000 0.989 150 G CA 0.056 45.109 45.100 -0.079 0.000 0.676 150 G HN 0.559 nan 8.290 nan 0.000 0.522 151 A N 0.448 123.328 122.820 0.100 0.000 2.350 151 A HA 0.911 5.231 4.320 -0.000 0.000 0.324 151 A C -2.189 175.471 177.584 0.126 0.000 1.118 151 A CA -1.472 50.639 52.037 0.125 0.000 0.783 151 A CB 1.874 21.015 19.000 0.237 0.000 1.236 151 A HN 0.224 nan 8.150 nan 0.000 0.457 152 P HA 0.535 nan 4.420 nan 0.000 0.280 152 P C -1.167 176.198 177.300 0.109 0.000 1.244 152 P CA 0.029 63.194 63.100 0.109 0.000 0.784 152 P CB 0.812 32.569 31.700 0.095 0.000 0.913 153 L N -0.211 121.079 121.223 0.111 0.000 2.775 153 L HA 0.901 5.241 4.340 -0.000 0.000 0.263 153 L C -1.566 175.356 176.870 0.086 0.000 1.017 153 L CA -1.357 53.539 54.840 0.094 0.000 0.891 153 L CB 0.953 43.064 42.059 0.087 0.000 1.482 153 L HN 0.354 nan 8.230 nan 0.000 0.410 154 A N 0.767 123.629 122.820 0.071 0.000 2.330 154 A HA 0.885 5.205 4.320 -0.000 0.000 0.327 154 A C -0.873 176.734 177.584 0.038 0.000 1.155 154 A CA -0.747 51.319 52.037 0.049 0.000 0.803 154 A CB 1.648 20.678 19.000 0.051 0.000 1.208 154 A HN 0.746 nan 8.150 nan 0.000 0.477 155 V N 2.685 122.606 119.914 0.012 0.000 2.384 155 V HA 0.590 4.710 4.120 -0.000 0.000 0.287 155 V C 0.513 176.605 176.094 -0.003 0.000 1.020 155 V CA -0.040 62.262 62.300 0.004 0.000 0.850 155 V CB 1.324 33.142 31.823 -0.008 0.000 0.987 155 V HN 1.114 nan 8.190 nan 0.000 0.436 156 T N 1.776 116.340 114.554 0.017 0.000 2.949 156 T HA 0.640 4.990 4.350 -0.000 0.000 0.287 156 T C -0.548 174.152 174.700 -0.000 0.000 1.034 156 T CA -0.758 61.354 62.100 0.020 0.000 1.018 156 T CB 2.213 71.123 68.868 0.070 0.000 1.135 156 T HN 0.578 nan 8.240 nan 0.000 0.532 157 Q N 0.466 120.261 119.800 -0.008 0.000 3.090 157 Q HA 0.579 4.919 4.340 -0.000 0.000 0.241 157 Q C -1.545 174.441 176.000 -0.022 0.000 0.958 157 Q CA -0.670 55.122 55.803 -0.019 0.000 0.715 157 Q CB 0.414 29.136 28.738 -0.026 0.000 1.298 157 Q HN 1.049 nan 8.270 nan 0.000 0.468 158 A N 2.980 125.786 122.820 -0.024 0.000 2.572 158 A HA 0.797 5.117 4.320 -0.000 0.000 0.295 158 A C -2.936 174.624 177.584 -0.040 0.000 1.072 158 A CA -1.441 50.574 52.037 -0.036 0.000 0.691 158 A CB 1.500 20.471 19.000 -0.048 0.000 1.291 158 A HN 0.432 nan 8.150 nan 0.000 0.404 159 P HA 0.253 nan 4.420 nan 0.000 0.268 159 P C -2.039 175.231 177.300 -0.051 0.000 1.205 159 P CA -0.925 62.149 63.100 -0.043 0.000 0.771 159 P CB 0.340 32.015 31.700 -0.042 0.000 0.858 160 P HA -0.180 nan 4.420 nan 0.000 0.217 160 P C 1.547 178.817 177.300 -0.050 0.000 1.148 160 P CA 1.427 64.499 63.100 -0.046 0.000 0.828 160 P CB -0.023 31.652 31.700 -0.041 0.000 0.783 161 R N -0.118 120.355 120.500 -0.046 0.000 2.096 161 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 161 R C 2.016 178.275 176.300 -0.069 0.000 1.127 161 R CA 1.641 57.716 56.100 -0.042 0.000 0.968 161 R CB -0.769 29.512 30.300 -0.032 0.000 0.861 161 R HN 0.072 nan 8.270 nan 0.000 0.440 162 A N 1.037 123.804 122.820 -0.088 0.000 1.930 162 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 162 A C 2.161 179.606 177.584 -0.231 0.000 1.175 162 A CA 1.054 53.014 52.037 -0.129 0.000 0.627 162 A CB -0.379 18.554 19.000 -0.112 0.000 0.815 162 A HN 0.339 nan 8.150 nan 0.000 0.443 163 L N -0.913 120.170 121.223 -0.234 0.000 2.056 163 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 163 L C 3.101 179.799 176.870 -0.287 0.000 1.078 163 L CA 0.981 55.575 54.840 -0.410 0.000 0.749 163 L CB -0.721 41.249 42.059 -0.148 0.000 0.901 163 L HN 0.410 nan 8.230 nan 0.000 0.433 164 A N 0.286 123.056 122.820 -0.083 0.000 1.908 164 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 164 A C 2.178 179.751 177.584 -0.018 0.000 1.181 164 A CA 1.926 53.971 52.037 0.014 0.000 0.627 164 A CB -0.486 18.530 19.000 0.026 0.000 0.818 164 A HN 0.476 nan 8.150 nan 0.000 0.445 165 E N -0.557 119.596 120.200 -0.079 0.000 2.106 165 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 165 E C 2.270 178.814 176.600 -0.094 0.000 0.984 165 E CA 0.877 57.238 56.400 -0.066 0.000 0.806 165 E CB -0.236 29.422 29.700 -0.070 0.000 0.750 165 E HN 0.634 nan 8.360 nan 0.000 0.458 166 A N 0.328 123.009 122.820 -0.232 0.000 1.930 166 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 166 A C 1.522 179.079 177.584 -0.044 0.000 1.176 166 A CA 1.009 52.891 52.037 -0.259 0.000 0.632 166 A CB -0.151 18.517 19.000 -0.554 0.000 0.819 166 A HN 0.156 nan 8.150 nan 0.000 0.445 167 F N -1.164 118.805 119.950 0.031 0.000 2.653 167 F HA 0.409 4.936 4.527 -0.000 0.000 0.288 167 F C 1.799 177.633 175.800 0.056 0.000 1.121 167 F CA -0.106 57.896 58.000 0.003 0.000 1.384 167 F CB -1.018 38.079 39.000 0.162 0.000 1.115 167 F HN 0.404 nan 8.300 nan 0.000 0.599 168 G N 0.800 109.757 108.800 0.262 0.000 2.575 168 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 168 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 168 G C 0.340 175.424 174.900 0.307 0.000 1.264 168 G CA 0.115 45.347 45.100 0.219 0.000 0.935 168 G HN 0.527 nan 8.290 nan 0.000 0.568 169 T N -2.574 112.126 114.554 0.242 0.000 3.781 169 T HA 0.434 4.784 4.350 -0.000 0.000 0.286 169 T C 0.580 175.487 174.700 0.345 0.000 1.277 169 T CA 0.662 62.903 62.100 0.235 0.000 1.136 169 T CB 0.398 69.310 68.868 0.073 0.000 1.202 169 T HN 0.852 nan 8.240 nan 0.000 0.884 170 Y N 1.656 122.097 120.300 0.236 0.000 2.498 170 Y HA 0.489 5.039 4.550 -0.000 0.000 0.259 170 Y C -0.283 175.524 175.900 -0.156 0.000 1.086 170 Y CA -1.699 56.417 58.100 0.027 0.000 1.287 170 Y CB 0.498 38.797 38.460 -0.269 0.000 1.146 170 Y HN 0.499 nan 8.280 nan 0.000 0.523 171 F N -0.717 119.352 119.950 0.199 0.000 2.458 171 F HA 0.297 4.824 4.527 -0.000 0.000 0.330 171 F C 1.072 176.926 175.800 0.089 0.000 1.082 171 F CA -0.559 57.462 58.000 0.036 0.000 0.995 171 F CB 1.241 40.312 39.000 0.118 0.000 1.170 171 F HN -0.079 nan 8.300 nan 0.000 0.478 172 H N 0.232 119.513 119.070 0.350 0.000 2.403 172 H HA 0.191 4.747 4.556 -0.000 0.000 0.298 172 H C -0.049 175.437 175.328 0.263 0.000 1.059 172 H CA 0.990 57.232 56.048 0.323 0.000 1.363 172 H CB 0.226 30.087 29.762 0.165 0.000 1.410 172 H HN 0.291 nan 8.280 nan 0.000 0.528 173 R N 0.197 120.906 120.500 0.349 0.000 2.651 173 R HA 0.577 4.917 4.340 -0.000 0.000 0.278 173 R C -1.692 174.704 176.300 0.160 0.000 1.010 173 R CA -0.754 55.483 56.100 0.228 0.000 0.896 173 R CB 3.154 33.553 30.300 0.166 0.000 1.211 173 R HN -0.139 nan 8.270 nan 0.000 0.456 174 V N 3.034 123.010 119.914 0.103 0.000 2.686 174 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 174 V C -1.205 174.894 176.094 0.007 0.000 1.065 174 V CA -0.879 61.427 62.300 0.010 0.000 0.894 174 V CB 2.191 34.014 31.823 -0.001 0.000 1.004 174 V HN 0.515 nan 8.190 nan 0.000 0.424 175 L N 5.700 126.907 121.223 -0.027 0.000 2.313 175 L HA 0.748 5.088 4.340 -0.000 0.000 0.283 175 L C -1.069 175.785 176.870 -0.027 0.000 1.013 175 L CA -0.374 54.455 54.840 -0.019 0.000 0.816 175 L CB 1.464 43.503 42.059 -0.034 0.000 1.236 175 L HN 0.640 nan 8.230 nan 0.000 0.419 176 L N 4.905 126.131 121.223 0.004 0.000 2.318 176 L HA 0.545 4.885 4.340 -0.000 0.000 0.277 176 L C -1.242 175.632 176.870 0.006 0.000 1.008 176 L CA -0.087 54.765 54.840 0.021 0.000 0.846 176 L CB 1.209 43.307 42.059 0.064 0.000 1.220 176 L HN 0.731 nan 8.230 nan 0.000 0.423 177 D N 4.037 124.413 120.400 -0.040 0.000 2.256 177 D HA 0.713 5.353 4.640 -0.000 0.000 0.240 177 D C -0.322 175.921 176.300 -0.094 0.000 1.062 177 D CA -0.126 53.820 54.000 -0.091 0.000 0.832 177 D CB 1.806 42.567 40.800 -0.065 0.000 1.135 177 D HN 0.747 nan 8.370 nan 0.000 0.484 195 H N -1.011 117.824 119.070 -0.392 0.000 2.511 195 H HA 0.772 5.328 4.556 -0.000 0.000 0.328 195 H C -0.911 174.098 175.328 -0.531 0.000 1.044 195 H CA -1.033 54.843 56.048 -0.288 0.000 1.212 195 H CB 0.659 30.293 29.762 -0.214 0.000 1.428 195 H HN 0.339 nan 8.280 nan 0.000 0.483 196 W N 2.101 123.393 121.300 -0.014 0.000 2.819 196 W HA 0.576 5.236 4.660 -0.000 0.000 0.337 196 W C 0.679 177.191 176.519 -0.012 0.000 1.077 196 W CA 0.221 57.559 57.345 -0.012 0.000 1.226 196 W CB 1.736 31.189 29.460 -0.010 0.000 1.419 196 W HN 1.440 nan 8.180 nan 0.000 0.502 197 G N 2.058 110.988 108.800 0.215 0.000 2.725 197 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.220 197 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.220 197 G C -1.859 173.075 174.900 0.057 0.000 1.357 197 G CA -1.149 44.024 45.100 0.122 0.000 0.866 197 G HN 0.491 nan 8.290 nan 0.000 0.548 202 K N 1.711 122.087 120.400 -0.039 0.000 2.349 202 K HA 0.446 4.766 4.320 -0.000 0.000 0.288 202 K C 0.485 177.058 176.600 -0.045 0.000 1.058 202 K CA -0.089 56.170 56.287 -0.046 0.000 0.953 202 K CB 0.270 32.738 32.500 -0.053 0.000 0.997 202 K HN 0.572 nan 8.250 nan 0.000 0.477 203 R N 2.231 122.703 120.500 -0.046 0.000 2.566 203 R HA 0.150 4.490 4.340 -0.000 0.000 0.388 203 R C 1.371 177.641 176.300 -0.051 0.000 0.989 203 R CA -0.458 55.614 56.100 -0.047 0.000 1.164 203 R CB 0.322 30.598 30.300 -0.040 0.000 1.459 203 R HN 0.650 nan 8.270 nan 0.000 0.553 204 M N 0.838 120.406 119.600 -0.053 0.000 2.108 204 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 204 M C 2.273 178.543 176.300 -0.050 0.000 1.066 204 M CA 1.755 57.025 55.300 -0.050 0.000 1.107 204 M CB -0.655 31.912 32.600 -0.056 0.000 1.356 204 M HN 0.217 nan 8.290 nan 0.000 0.406 205 A N 0.097 122.880 122.820 -0.061 0.000 1.883 205 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 205 A C 2.014 179.536 177.584 -0.103 0.000 1.186 205 A CA 1.988 53.980 52.037 -0.075 0.000 0.624 205 A CB -0.768 18.183 19.000 -0.082 0.000 0.822 205 A HN 0.606 nan 8.150 nan 0.000 0.444 206 E N -0.436 119.705 120.200 -0.098 0.000 2.077 206 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 206 E C 2.000 178.546 176.600 -0.091 0.000 0.989 206 E CA 1.317 57.651 56.400 -0.111 0.000 0.800 206 E CB -0.342 29.309 29.700 -0.081 0.000 0.746 206 E HN 0.404 nan 8.360 nan 0.000 0.452 207 V N 1.600 121.475 119.914 -0.065 0.000 2.295 207 V HA -0.262 3.857 4.120 -0.000 0.000 0.246 207 V C 2.322 178.386 176.094 -0.050 0.000 1.049 207 V CA 1.655 63.925 62.300 -0.050 0.000 1.024 207 V CB -0.458 31.342 31.823 -0.038 0.000 0.648 207 V HN 0.248 nan 8.190 nan 0.000 0.447 208 Q N -0.041 119.731 119.800 -0.047 0.000 2.172 208 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 208 Q C 2.247 178.169 176.000 -0.130 0.000 0.964 208 Q CA 1.244 57.022 55.803 -0.041 0.000 0.855 208 Q CB -0.328 28.438 28.738 0.048 0.000 0.918 208 Q HN 0.623 nan 8.270 nan 0.000 0.444 209 K N 0.584 120.897 120.400 -0.145 0.000 2.063 209 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 209 K C 2.075 178.639 176.600 -0.061 0.000 1.048 209 K CA 1.347 57.544 56.287 -0.151 0.000 0.928 209 K CB -0.151 32.156 32.500 -0.322 0.000 0.713 209 K HN 0.146 nan 8.250 nan 0.000 0.442 210 A N 1.134 123.919 122.820 -0.058 0.000 1.929 210 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 210 A C 2.099 179.663 177.584 -0.032 0.000 1.176 210 A CA 1.065 53.092 52.037 -0.017 0.000 0.628 210 A CB -0.519 18.469 19.000 -0.020 0.000 0.816 210 A HN 0.142 nan 8.150 nan 0.000 0.444 211 L N -1.104 120.085 121.223 -0.057 0.000 2.046 211 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 211 L C 2.528 179.330 176.870 -0.114 0.000 1.077 211 L CA 1.018 55.819 54.840 -0.064 0.000 0.747 211 L CB -0.444 41.589 42.059 -0.045 0.000 0.896 211 L HN 0.429 nan 8.230 nan 0.000 0.432 212 L N 0.070 121.180 121.223 -0.189 0.000 2.083 212 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 212 L C 2.627 179.306 176.870 -0.318 0.000 1.083 212 L CA 1.915 56.530 54.840 -0.375 0.000 0.752 212 L CB -0.715 40.959 42.059 -0.642 0.000 0.899 212 L HN 0.151 nan 8.230 nan 0.000 0.433 213 A N -1.232 121.533 122.820 -0.093 0.000 1.883 213 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 213 A C 2.154 179.716 177.584 -0.036 0.000 1.186 213 A CA 1.668 53.704 52.037 -0.001 0.000 0.624 213 A CB -0.550 18.535 19.000 0.143 0.000 0.822 213 A HN 0.554 nan 8.150 nan 0.000 0.444 214 Q N -0.497 119.283 119.800 -0.033 0.000 2.084 214 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 214 Q C 2.453 178.429 176.000 -0.039 0.000 0.978 214 Q CA 1.654 57.445 55.803 -0.021 0.000 0.844 214 Q CB -0.896 27.828 28.738 -0.024 0.000 0.898 214 Q HN 0.660 nan 8.270 nan 0.000 0.426 215 A N 1.367 124.130 122.820 -0.095 0.000 1.908 215 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 215 A C 2.381 179.914 177.584 -0.084 0.000 1.181 215 A CA 2.357 54.331 52.037 -0.103 0.000 0.627 215 A CB -0.738 18.163 19.000 -0.165 0.000 0.818 215 A HN 0.514 nan 8.150 nan 0.000 0.445 216 S N -0.123 115.479 115.700 -0.164 0.000 2.419 216 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 216 S C 1.814 176.486 174.600 0.119 0.000 1.016 216 S CA 1.132 59.256 58.200 -0.127 0.000 0.974 216 S CB -0.488 62.473 63.200 -0.398 0.000 0.786 216 S HN 0.632 nan 8.310 nan 0.000 0.492 217 R N 0.373 120.928 120.500 0.092 0.000 2.285 217 R HA 0.226 4.566 4.340 -0.000 0.000 0.213 217 R C 1.343 177.751 176.300 0.180 0.000 1.068 217 R CA 0.788 56.971 56.100 0.138 0.000 1.004 217 R CB -0.426 29.934 30.300 0.100 0.000 0.873 217 R HN 0.424 nan 8.270 nan 0.000 0.467 218 L N 0.364 121.707 121.223 0.200 0.000 2.607 218 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 218 L C 0.170 177.274 176.870 0.389 0.000 1.123 218 L CA 0.030 55.062 54.840 0.320 0.000 0.890 218 L CB 0.327 42.542 42.059 0.260 0.000 1.103 218 L HN 0.033 nan 8.230 nan 0.000 0.468 219 L N -0.337 121.058 121.223 0.287 0.000 2.295 219 L HA 0.485 4.825 4.340 -0.000 0.000 0.285 219 L C 0.876 177.791 176.870 0.076 0.000 1.035 219 L CA -0.510 54.481 54.840 0.252 0.000 0.806 219 L CB 1.426 43.661 42.059 0.295 0.000 1.214 219 L HN -0.011 nan 8.230 nan 0.000 0.426 220 G N 2.821 111.573 108.800 -0.079 0.000 2.525 220 G HA2 0.426 4.386 3.960 -0.000 0.000 0.287 220 G HA3 0.426 4.386 3.960 -0.000 0.000 0.287 220 G C -2.604 171.897 174.900 -0.666 0.000 1.350 220 G CA -1.112 43.569 45.100 -0.698 0.000 1.039 220 G HN 0.366 nan 8.290 nan 0.000 0.513 221 P HA 0.134 nan 4.420 nan 0.000 0.268 221 P C 0.767 177.944 177.300 -0.204 0.000 1.204 221 P CA 1.329 64.141 63.100 -0.480 0.000 0.768 221 P CB 0.888 32.299 31.700 -0.483 0.000 0.842 222 G N 2.065 110.803 108.800 -0.102 0.000 2.168 222 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.263 222 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.263 222 G C 0.610 175.558 174.900 0.081 0.000 0.977 222 G CA -0.043 45.067 45.100 0.017 0.000 0.659 222 G HN 0.902 nan 8.290 nan 0.000 0.533 223 G N -0.993 107.837 108.800 0.051 0.000 2.484 223 G HA2 0.497 4.457 3.960 -0.000 0.000 0.235 223 G HA3 0.497 4.457 3.960 -0.000 0.000 0.235 223 G C -0.001 175.018 174.900 0.198 0.000 1.282 223 G CA 0.491 45.686 45.100 0.159 0.000 0.857 223 G HN 1.046 nan 8.290 nan 0.000 0.571 224 V N 2.975 123.029 119.914 0.233 0.000 2.448 224 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 224 V C -0.262 175.979 176.094 0.245 0.000 1.025 224 V CA -0.726 61.714 62.300 0.233 0.000 0.859 224 V CB 1.396 33.322 31.823 0.171 0.000 0.988 224 V HN 0.672 nan 8.190 nan 0.000 0.431 225 L N 6.571 127.975 121.223 0.302 0.000 2.341 225 L HA 0.771 5.111 4.340 -0.000 0.000 0.278 225 L C -0.679 176.350 176.870 0.265 0.000 1.005 225 L CA -0.028 54.950 54.840 0.229 0.000 0.818 225 L CB 1.893 44.026 42.059 0.125 0.000 1.259 225 L HN 0.423 nan 8.230 nan 0.000 0.418 226 V N 5.347 125.354 119.914 0.155 0.000 2.495 226 V HA 0.387 4.507 4.120 -0.000 0.000 0.298 226 V C -1.203 174.986 176.094 0.159 0.000 1.031 226 V CA -0.616 61.764 62.300 0.134 0.000 0.871 226 V CB 1.525 33.373 31.823 0.041 0.000 0.988 226 V HN 0.681 nan 8.190 nan 0.000 0.432 227 Y N 3.787 124.118 120.300 0.052 0.000 2.352 227 Y HA 0.712 5.262 4.550 -0.000 0.000 0.339 227 Y C 0.021 175.925 175.900 0.007 0.000 0.992 227 Y CA -0.424 57.694 58.100 0.031 0.000 1.100 227 Y CB 1.900 40.423 38.460 0.106 0.000 1.192 227 Y HN 0.618 nan 8.280 nan 0.000 0.458 228 S N 4.637 120.043 115.700 -0.490 0.000 2.571 228 S HA 0.780 5.250 4.470 -0.000 0.000 0.284 228 S C -0.966 173.307 174.600 -0.545 0.000 1.128 228 S CA -0.001 57.982 58.200 -0.361 0.000 0.970 228 S CB 1.008 64.167 63.200 -0.069 0.000 1.039 228 S HN 1.040 nan 8.310 nan 0.000 0.485 229 T N -0.166 114.042 114.554 -0.575 0.000 2.883 229 T HA 0.576 4.926 4.350 -0.000 0.000 0.296 229 T C 0.183 174.364 174.700 -0.865 0.000 1.117 229 T CA -0.495 61.258 62.100 -0.579 0.000 1.006 229 T CB 0.839 69.459 68.868 -0.414 0.000 1.191 229 T HN 1.306 nan 8.240 nan 0.000 0.508 230 C N 0.423 119.357 119.300 -0.609 0.000 2.624 230 C HA 0.695 5.155 4.460 -0.000 0.000 0.263 230 C C 0.456 175.162 174.990 -0.474 0.000 1.587 230 C CA -0.531 58.136 59.018 -0.585 0.000 1.718 230 C CB -1.845 25.677 27.740 -0.363 0.000 3.050 230 C HN 1.016 nan 8.230 nan 0.000 0.517 231 T N -0.988 113.288 114.554 -0.462 0.000 2.924 231 T HA 0.651 5.001 4.350 -0.000 0.000 0.291 231 T C 0.032 174.480 174.700 -0.420 0.000 1.045 231 T CA -0.206 61.654 62.100 -0.400 0.000 1.015 231 T CB 0.820 69.540 68.868 -0.247 0.000 1.103 231 T HN 0.224 nan 8.240 nan 0.000 0.496 232 F N 1.845 121.763 119.950 -0.053 0.000 2.743 232 F HA 0.425 4.952 4.527 -0.000 0.000 0.297 232 F C 1.846 177.648 175.800 0.003 0.000 1.131 232 F CA -0.196 57.822 58.000 0.030 0.000 1.426 232 F CB -0.368 38.869 39.000 0.395 0.000 1.116 232 F HN 0.637 nan 8.300 nan 0.000 0.583 233 A N 1.737 124.610 122.820 0.089 0.000 2.537 233 A HA 0.101 4.421 4.320 -0.000 0.000 0.260 233 A C -1.423 176.043 177.584 -0.196 0.000 1.082 233 A CA -0.911 51.111 52.037 -0.025 0.000 0.765 233 A CB -0.288 18.663 19.000 -0.082 0.000 1.019 233 A HN 0.076 nan 8.150 nan 0.000 0.507 234 P HA -0.184 nan 4.420 nan 0.000 0.216 234 P C 0.989 178.151 177.300 -0.230 0.000 1.153 234 P CA 1.551 64.388 63.100 -0.440 0.000 0.858 234 P CB 0.239 31.357 31.700 -0.970 0.000 0.789 235 E N -0.352 119.732 120.200 -0.195 0.000 2.110 235 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 235 E C 1.724 178.265 176.600 -0.099 0.000 0.988 235 E CA 1.125 57.454 56.400 -0.118 0.000 0.804 235 E CB -0.655 28.984 29.700 -0.102 0.000 0.745 235 E HN 0.456 nan 8.360 nan 0.000 0.458 236 E N -0.234 119.894 120.200 -0.121 0.000 2.478 236 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 236 E C 0.738 177.296 176.600 -0.070 0.000 1.045 236 E CA 0.034 56.389 56.400 -0.075 0.000 0.868 236 E CB 0.244 29.893 29.700 -0.084 0.000 0.885 236 E HN 0.153 nan 8.360 nan 0.000 0.505 237 N N 0.572 119.105 118.700 -0.278 0.000 2.528 237 N HA 0.007 4.747 4.740 -0.000 0.000 0.208 237 N C 1.379 176.627 175.510 -0.437 0.000 1.218 237 N CA 0.224 52.803 53.050 -0.784 0.000 1.112 237 N CB -0.412 37.207 38.487 -1.446 0.000 1.423 237 N HN -0.121 nan 8.380 nan 0.000 0.497 238 E N 0.671 120.672 120.200 -0.330 0.000 2.160 238 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 238 E C 1.757 178.433 176.600 0.127 0.000 0.991 238 E CA 1.288 57.746 56.400 0.096 0.000 0.810 238 E CB -0.603 29.235 29.700 0.230 0.000 0.742 238 E HN 0.528 nan 8.360 nan 0.000 0.466 239 G N 0.277 109.111 108.800 0.056 0.000 2.418 239 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 239 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 239 G C 1.725 176.674 174.900 0.082 0.000 1.158 239 G CA 0.918 46.057 45.100 0.066 0.000 0.771 239 G HN 0.194 nan 8.290 nan 0.000 0.545 240 V N 0.435 120.373 119.914 0.039 0.000 2.307 240 V HA -0.157 3.962 4.120 -0.000 0.000 0.245 240 V C 3.041 179.198 176.094 0.105 0.000 1.045 240 V CA 1.481 63.781 62.300 0.001 0.000 1.024 240 V CB -0.366 31.379 31.823 -0.130 0.000 0.651 240 V HN 0.246 nan 8.190 nan 0.000 0.449 241 V N 0.403 120.434 119.914 0.195 0.000 2.295 241 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 241 V C 2.716 179.031 176.094 0.368 0.000 1.049 241 V CA 2.117 64.634 62.300 0.361 0.000 1.024 241 V CB -1.189 30.909 31.823 0.458 0.000 0.648 241 V HN 0.560 nan 8.190 nan 0.000 0.447 242 A N -0.836 122.151 122.820 0.277 0.000 1.902 242 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 242 A C 2.266 179.976 177.584 0.210 0.000 1.181 242 A CA 1.956 54.130 52.037 0.228 0.000 0.623 242 A CB -0.884 18.225 19.000 0.181 0.000 0.818 242 A HN 0.715 nan 8.150 nan 0.000 0.443 243 H N -1.561 117.584 119.070 0.126 0.000 2.353 243 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 243 H C 1.943 177.342 175.328 0.118 0.000 1.090 243 H CA 2.104 58.207 56.048 0.092 0.000 1.327 243 H CB -0.416 29.384 29.762 0.064 0.000 1.383 243 H HN 0.490 nan 8.280 nan 0.000 0.508 244 F N 1.254 121.280 119.950 0.128 0.000 2.102 244 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 244 F C 2.480 178.321 175.800 0.067 0.000 1.105 244 F CA 1.097 59.123 58.000 0.044 0.000 1.239 244 F CB -0.584 38.318 39.000 -0.163 0.000 0.991 244 F HN 0.067 nan 8.300 nan 0.000 0.474 245 L N 0.201 121.514 121.223 0.149 0.000 2.046 245 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 245 L C 2.482 179.328 176.870 -0.040 0.000 1.077 245 L CA 1.687 56.583 54.840 0.093 0.000 0.747 245 L CB -0.753 41.458 42.059 0.254 0.000 0.896 245 L HN 0.108 nan 8.230 nan 0.000 0.432 246 K N 0.830 121.196 120.400 -0.057 0.000 2.057 246 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 246 K C 1.868 178.342 176.600 -0.210 0.000 1.049 246 K CA 1.741 57.961 56.287 -0.111 0.000 0.931 246 K CB -0.282 32.148 32.500 -0.117 0.000 0.714 246 K HN 0.234 nan 8.250 nan 0.000 0.440 247 A N -0.752 121.878 122.820 -0.317 0.000 2.123 247 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 247 A C -0.020 177.108 177.584 -0.759 0.000 1.152 247 A CA 0.601 52.347 52.037 -0.484 0.000 0.728 247 A CB -0.367 18.337 19.000 -0.495 0.000 0.814 247 A HN 0.461 nan 8.150 nan 0.000 0.464 248 H N -1.499 117.321 119.070 -0.417 0.000 2.429 248 H HA 0.296 4.852 4.556 -0.000 0.000 0.231 248 H C -2.352 172.892 175.328 -0.140 0.000 1.416 248 H CA -1.413 54.424 56.048 -0.351 0.000 1.443 248 H CB 0.691 29.992 29.762 -0.769 0.000 1.591 248 H HN 0.140 nan 8.280 nan 0.000 0.507 249 P HA -0.183 nan 4.420 nan 0.000 0.225 249 P C 1.503 178.828 177.300 0.042 0.000 1.148 249 P CA 0.936 64.041 63.100 0.009 0.000 0.779 249 P CB 0.469 32.151 31.700 -0.029 0.000 0.780 250 E N -0.599 119.630 120.200 0.048 0.000 2.482 250 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 250 E C -0.112 176.410 176.600 -0.130 0.000 1.047 250 E CA 0.352 56.725 56.400 -0.045 0.000 0.869 250 E CB -0.488 29.155 29.700 -0.095 0.000 0.836 250 E HN 0.221 nan 8.360 nan 0.000 0.520 251 F N 1.184 121.167 119.950 0.056 0.000 2.422 251 F HA 0.495 5.022 4.527 -0.000 0.000 0.333 251 F C 0.756 176.687 175.800 0.218 0.000 1.095 251 F CA -0.774 57.322 58.000 0.159 0.000 1.038 251 F CB 1.449 40.577 39.000 0.214 0.000 1.156 251 F HN -0.318 nan 8.300 nan 0.000 0.483 252 R N 2.676 123.433 120.500 0.428 0.000 2.725 252 R HA 0.533 4.873 4.340 -0.000 0.000 0.277 252 R C -1.396 175.099 176.300 0.325 0.000 0.987 252 R CA -1.157 55.139 56.100 0.327 0.000 0.901 252 R CB 2.261 32.663 30.300 0.169 0.000 1.207 252 R HN 0.546 nan 8.270 nan 0.000 0.463 253 L N 2.128 123.471 121.223 0.200 0.000 2.456 253 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 253 L C 0.391 177.269 176.870 0.013 0.000 1.189 253 L CA 0.572 55.407 54.840 -0.009 0.000 0.846 253 L CB 0.305 42.311 42.059 -0.089 0.000 1.111 253 L HN 0.451 nan 8.230 nan 0.000 0.475 254 E N 0.902 121.085 120.200 -0.028 0.000 2.221 254 E HA 0.156 4.506 4.350 -0.000 0.000 0.268 254 E C -1.112 175.463 176.600 -0.041 0.000 0.933 254 E CA -0.970 55.424 56.400 -0.009 0.000 0.809 254 E CB 1.643 31.353 29.700 0.017 0.000 1.190 254 E HN 0.407 nan 8.360 nan 0.000 0.406 255 D N 0.941 121.329 120.400 -0.021 0.000 2.434 255 D HA 0.031 4.671 4.640 -0.000 0.000 0.252 255 D C -0.094 176.191 176.300 -0.025 0.000 1.185 255 D CA 0.284 54.271 54.000 -0.022 0.000 0.886 255 D CB 1.021 41.816 40.800 -0.008 0.000 1.148 255 D HN 0.501 nan 8.370 nan 0.000 0.483 256 A N 4.806 127.605 122.820 -0.034 0.000 2.387 256 A HA 0.065 4.385 4.320 -0.000 0.000 0.234 256 A C 1.345 178.982 177.584 0.089 0.000 1.253 256 A CA -0.262 51.767 52.037 -0.014 0.000 0.894 256 A CB -0.071 18.869 19.000 -0.099 0.000 0.963 256 A HN 0.526 nan 8.150 nan 0.000 0.508 257 R N 1.160 121.702 120.500 0.070 0.000 3.247 257 R HA 0.306 4.646 4.340 -0.000 0.000 0.212 257 R C 0.202 176.456 176.300 -0.076 0.000 1.604 257 R CA -0.200 55.963 56.100 0.104 0.000 1.279 257 R CB -0.518 29.822 30.300 0.068 0.000 1.277 257 R HN 0.500 nan 8.270 nan 0.000 0.669 258 L N 1.036 122.136 121.223 -0.205 0.000 2.191 258 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 258 L C 1.164 177.819 176.870 -0.358 0.000 1.103 258 L CA 1.045 55.715 54.840 -0.282 0.000 0.769 258 L CB -0.317 41.602 42.059 -0.233 0.000 0.908 258 L HN 0.570 nan 8.230 nan 0.000 0.438 259 H N -1.707 116.891 119.070 -0.788 0.000 2.996 259 H HA 0.184 4.740 4.556 -0.000 0.000 0.368 259 H C -2.226 172.925 175.328 -0.296 0.000 1.185 259 H CA -1.441 54.316 56.048 -0.485 0.000 1.160 259 H CB 2.599 32.075 29.762 -0.478 0.000 1.820 259 H HN -0.315 nan 8.280 nan 0.000 0.547 260 P HA -0.037 nan 4.420 nan 0.000 0.222 260 P C 1.597 178.985 177.300 0.147 0.000 1.147 260 P CA 0.792 63.826 63.100 -0.110 0.000 0.790 260 P CB 0.307 31.898 31.700 -0.182 0.000 0.780 261 L N -2.787 118.696 121.223 0.434 0.000 2.275 261 L HA -0.059 4.281 4.340 -0.000 0.000 0.215 261 L C 0.983 178.103 176.870 0.417 0.000 1.119 261 L CA 0.318 55.408 54.840 0.417 0.000 0.790 261 L CB -0.660 41.688 42.059 0.482 0.000 0.919 261 L HN -0.075 nan 8.230 nan 0.000 0.443 262 F N 0.666 120.675 119.950 0.097 0.000 2.496 262 F HA 0.326 4.853 4.527 -0.000 0.000 0.344 262 F C 0.798 176.643 175.800 0.075 0.000 1.155 262 F CA -1.316 56.690 58.000 0.010 0.000 1.302 262 F CB 0.058 39.029 39.000 -0.048 0.000 1.159 262 F HN -0.170 nan 8.300 nan 0.000 0.595 263 A N 3.280 126.269 122.820 0.282 0.000 2.340 263 A HA 0.757 5.077 4.320 -0.000 0.000 0.331 263 A C -2.637 175.062 177.584 0.193 0.000 1.140 263 A CA -1.907 50.283 52.037 0.255 0.000 0.801 263 A CB 0.875 20.116 19.000 0.400 0.000 1.234 263 A HN 0.434 nan 8.150 nan 0.000 0.469 264 P HA 0.261 nan 4.420 nan 0.000 0.269 264 P C 0.650 178.032 177.300 0.137 0.000 1.215 264 P CA 0.273 63.437 63.100 0.106 0.000 0.780 264 P CB 0.598 32.339 31.700 0.068 0.000 0.898 265 G N 0.728 109.608 108.800 0.134 0.000 2.683 265 G HA2 0.336 4.296 3.960 -0.000 0.000 0.260 265 G HA3 0.336 4.296 3.960 -0.000 0.000 0.260 265 G C -0.845 174.116 174.900 0.102 0.000 1.238 265 G CA -0.393 44.833 45.100 0.210 0.000 0.934 265 G HN 0.373 nan 8.290 nan 0.000 0.534 266 V N 1.767 121.724 119.914 0.072 0.000 2.326 266 V HA 0.204 4.324 4.120 -0.000 0.000 0.281 266 V C -1.500 174.556 176.094 -0.064 0.000 1.015 266 V CA -0.991 61.211 62.300 -0.163 0.000 0.823 266 V CB 1.925 33.346 31.823 -0.671 0.000 1.009 266 V HN 0.512 nan 8.190 nan 0.000 0.436 267 P HA -0.123 nan 4.420 nan 0.000 0.216 267 P C 1.127 178.446 177.300 0.032 0.000 1.150 267 P CA 1.058 64.169 63.100 0.019 0.000 0.837 267 P CB 0.366 32.069 31.700 0.004 0.000 0.786 268 E N -2.109 118.065 120.200 -0.044 0.000 2.338 268 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 268 E C 1.091 177.829 176.600 0.230 0.000 1.007 268 E CA 0.697 57.119 56.400 0.036 0.000 0.849 268 E CB -0.784 28.902 29.700 -0.023 0.000 0.774 268 E HN 0.391 nan 8.360 nan 0.000 0.506 269 W N 0.462 121.785 121.300 0.039 0.000 3.256 269 W HA 0.407 5.067 4.660 -0.000 0.000 0.269 269 W C 0.709 177.249 176.519 0.034 0.000 1.310 269 W CA 0.120 57.482 57.345 0.030 0.000 1.673 269 W CB 0.093 29.568 29.460 0.025 0.000 1.115 269 W HN -0.012 nan 8.180 nan 0.000 0.686 270 G N 0.258 109.208 108.800 0.249 0.000 4.566 270 G HA2 0.320 4.280 3.960 -0.000 0.000 0.307 270 G HA3 0.320 4.280 3.960 -0.000 0.000 0.307 270 G C 0.057 175.042 174.900 0.141 0.000 1.383 270 G CA -0.436 44.774 45.100 0.184 0.000 0.910 270 G HN 0.185 nan 8.290 nan 0.000 0.538 271 E N -0.467 119.808 120.200 0.125 0.000 2.722 271 E HA -0.280 4.070 4.350 -0.000 0.000 0.265 271 E C 1.465 178.112 176.600 0.078 0.000 1.081 271 E CA 0.698 57.154 56.400 0.093 0.000 0.781 271 E CB -1.406 28.345 29.700 0.085 0.000 1.372 271 E HN 1.635 nan 8.360 nan 0.000 0.423 272 G N 0.703 109.552 108.800 0.081 0.000 2.203 272 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.263 272 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.263 272 G C -0.008 174.924 174.900 0.053 0.000 1.012 272 G CA 0.358 45.492 45.100 0.057 0.000 0.749 272 G HN 0.370 nan 8.290 nan 0.000 0.512 273 N N 0.877 119.620 118.700 0.072 0.000 2.405 273 N HA 0.277 5.017 4.740 -0.000 0.000 0.260 273 N C -0.309 175.241 175.510 0.065 0.000 1.152 273 N CA -1.837 51.256 53.050 0.072 0.000 0.948 273 N CB 1.330 39.874 38.487 0.095 0.000 1.111 273 N HN 0.122 nan 8.380 nan 0.000 0.485 274 P HA -0.101 nan 4.420 nan 0.000 0.225 274 P C 0.547 177.875 177.300 0.047 0.000 1.148 274 P CA 0.829 63.952 63.100 0.039 0.000 0.779 274 P CB 0.530 32.247 31.700 0.029 0.000 0.780 275 E N 0.146 120.382 120.200 0.061 0.000 2.267 275 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 275 E C 2.040 178.680 176.600 0.067 0.000 0.998 275 E CA 0.692 57.131 56.400 0.065 0.000 0.830 275 E CB -0.629 29.124 29.700 0.087 0.000 0.751 275 E HN 0.404 nan 8.360 nan 0.000 0.491 276 L N 0.382 121.657 121.223 0.086 0.000 2.456 276 L HA -0.118 4.221 4.340 -0.000 0.000 0.224 276 L C 2.241 179.162 176.870 0.084 0.000 1.148 276 L CA 0.289 55.195 54.840 0.110 0.000 0.825 276 L CB -0.337 41.811 42.059 0.149 0.000 0.937 276 L HN 0.097 nan 8.230 nan 0.000 0.450 277 L N -0.473 120.782 121.223 0.053 0.000 2.353 277 L HA -0.202 4.138 4.340 -0.000 0.000 0.220 277 L C 2.230 179.118 176.870 0.029 0.000 1.133 277 L CA 1.127 55.991 54.840 0.040 0.000 0.798 277 L CB -0.406 41.669 42.059 0.026 0.000 0.922 277 L HN 0.240 nan 8.230 nan 0.000 0.445 278 K N -0.506 119.902 120.400 0.014 0.000 2.400 278 K HA 0.016 4.336 4.320 -0.000 0.000 0.194 278 K C 1.043 177.606 176.600 -0.062 0.000 1.033 278 K CA 0.331 56.608 56.287 -0.017 0.000 1.021 278 K CB 0.098 32.583 32.500 -0.024 0.000 0.808 278 K HN 0.385 nan 8.250 nan 0.000 0.505 279 T N -0.952 113.566 114.554 -0.060 0.000 2.813 279 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 279 T C -0.011 174.605 174.700 -0.139 0.000 1.036 279 T CA -0.915 61.081 62.100 -0.174 0.000 1.044 279 T CB 1.575 70.369 68.868 -0.124 0.000 0.993 279 T HN 0.059 nan 8.240 nan 0.000 0.535 280 A N 1.604 124.246 122.820 -0.297 0.000 2.414 280 A HA 0.739 5.059 4.320 -0.000 0.000 0.306 280 A C -0.235 177.191 177.584 -0.263 0.000 1.054 280 A CA -1.117 50.817 52.037 -0.171 0.000 0.724 280 A CB 1.295 20.251 19.000 -0.073 0.000 1.267 280 A HN 0.853 nan 8.150 nan 0.000 0.418 281 R N 1.049 121.468 120.500 -0.135 0.000 2.494 281 R HA 0.545 4.885 4.340 -0.000 0.000 0.305 281 R C -1.631 174.431 176.300 -0.396 0.000 0.959 281 R CA -0.723 55.225 56.100 -0.253 0.000 0.864 281 R CB 1.566 31.744 30.300 -0.204 0.000 1.159 281 R HN 0.531 nan 8.270 nan 0.000 0.446 282 L N 3.545 124.449 121.223 -0.531 0.000 2.265 282 L HA 0.376 4.716 4.340 -0.000 0.000 0.289 282 L C -1.003 175.714 176.870 -0.254 0.000 1.033 282 L CA 0.008 54.567 54.840 -0.468 0.000 0.814 282 L CB 0.621 42.291 42.059 -0.648 0.000 1.203 282 L HN 0.477 nan 8.230 nan 0.000 0.423 283 W N 5.375 126.673 121.300 -0.003 0.000 2.529 283 W HA 0.447 5.107 4.660 -0.000 0.000 0.321 283 W C -1.313 175.254 176.519 0.079 0.000 1.047 283 W CA -1.356 56.068 57.345 0.131 0.000 1.216 283 W CB 1.360 30.758 29.460 -0.103 0.000 1.357 283 W HN 0.391 nan 8.180 nan 0.000 0.489 284 P HA -0.244 nan 4.420 nan 0.000 0.222 284 P C 1.133 178.601 177.300 0.280 0.000 1.147 284 P CA 1.734 65.032 63.100 0.331 0.000 0.790 284 P CB -0.006 31.897 31.700 0.338 0.000 0.780 285 H N -1.020 118.236 119.070 0.310 0.000 2.551 285 H HA 0.226 4.782 4.556 -0.000 0.000 0.266 285 H C 1.494 176.924 175.328 0.169 0.000 0.977 285 H CA 0.194 56.353 56.048 0.185 0.000 1.163 285 H CB -0.262 29.584 29.762 0.140 0.000 1.381 285 H HN 0.127 nan 8.280 nan 0.000 0.581 286 R N 0.182 120.607 120.500 -0.125 0.000 2.250 286 R HA 0.211 4.551 4.340 -0.000 0.000 0.194 286 R C -0.153 176.218 176.300 0.118 0.000 0.927 286 R CA 0.240 56.328 56.100 -0.020 0.000 1.052 286 R CB 0.596 30.872 30.300 -0.040 0.000 1.055 286 R HN 0.207 nan 8.270 nan 0.000 0.537 287 L N -3.166 118.151 121.223 0.156 0.000 2.491 287 L HA 0.467 4.807 4.340 -0.000 0.000 0.254 287 L C -0.826 176.193 176.870 0.248 0.000 1.048 287 L CA -1.092 53.896 54.840 0.247 0.000 0.855 287 L CB 1.273 43.516 42.059 0.307 0.000 1.466 287 L HN -0.234 nan 8.230 nan 0.000 0.409 288 E N -0.012 120.371 120.200 0.306 0.000 1.941 288 E HA 0.604 4.954 4.350 -0.000 0.000 0.275 288 E C -0.356 176.494 176.600 0.415 0.000 1.113 288 E CA 0.139 56.663 56.400 0.206 0.000 0.878 288 E CB -0.028 29.604 29.700 -0.113 0.000 1.070 288 E HN 1.026 nan 8.360 nan 0.000 0.399 289 G N 3.313 112.288 108.800 0.292 0.000 2.338 289 G HA2 0.032 3.992 3.960 -0.000 0.000 0.295 289 G HA3 0.032 3.992 3.960 -0.000 0.000 0.295 289 G C -1.165 173.830 174.900 0.158 0.000 1.461 289 G CA -0.927 44.339 45.100 0.276 0.000 0.817 289 G HN 0.419 nan 8.290 nan 0.000 0.556 290 E N -0.543 119.719 120.200 0.103 0.000 2.345 290 E HA 0.479 4.829 4.350 -0.000 0.000 0.259 290 E C 0.974 177.585 176.600 0.020 0.000 1.117 290 E CA -0.198 56.242 56.400 0.068 0.000 0.913 290 E CB 1.065 30.778 29.700 0.021 0.000 1.057 290 E HN 0.708 nan 8.360 nan 0.000 0.432 291 G N 0.690 109.471 108.800 -0.032 0.000 2.414 291 G HA2 0.113 4.073 3.960 -0.000 0.000 0.236 291 G HA3 0.113 4.073 3.960 -0.000 0.000 0.236 291 G C -0.748 173.943 174.900 -0.349 0.000 1.293 291 G CA 0.416 45.343 45.100 -0.289 0.000 0.869 291 G HN 0.510 nan 8.290 nan 0.000 0.556 292 H N 0.061 118.862 119.070 -0.448 0.000 3.064 292 H HA 0.523 5.079 4.556 -0.000 0.000 0.352 292 H C -1.814 173.314 175.328 -0.333 0.000 1.260 292 H CA -0.720 55.097 56.048 -0.385 0.000 1.160 292 H CB 1.907 31.442 29.762 -0.377 0.000 1.879 292 H HN 0.469 nan 8.280 nan 0.000 0.544 293 F N 4.343 124.018 119.950 -0.457 0.000 2.540 293 F HA 0.638 5.165 4.527 -0.000 0.000 0.317 293 F C -2.000 173.681 175.800 -0.199 0.000 1.104 293 F CA -0.601 57.214 58.000 -0.309 0.000 0.913 293 F CB 0.991 39.814 39.000 -0.294 0.000 1.170 293 F HN 0.360 nan 8.300 nan 0.000 0.450 294 L N 5.604 126.269 121.223 -0.931 0.000 2.408 294 L HA 0.887 5.227 4.340 -0.000 0.000 0.268 294 L C -0.965 175.415 176.870 -0.815 0.000 0.986 294 L CA -1.031 53.417 54.840 -0.654 0.000 0.820 294 L CB 1.975 43.809 42.059 -0.375 0.000 1.303 294 L HN 0.786 nan 8.230 nan 0.000 0.411 295 A N 3.088 125.627 122.820 -0.469 0.000 2.398 295 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 295 A C -1.112 176.268 177.584 -0.340 0.000 1.041 295 A CA -0.605 51.182 52.037 -0.416 0.000 0.711 295 A CB 1.846 20.682 19.000 -0.274 0.000 1.240 295 A HN 0.767 nan 8.150 nan 0.000 0.420 296 R N 2.171 122.425 120.500 -0.409 0.000 2.534 296 R HA 0.737 5.077 4.340 -0.000 0.000 0.301 296 R C -1.884 174.244 176.300 -0.287 0.000 0.961 296 R CA -0.368 55.607 56.100 -0.208 0.000 0.871 296 R CB 0.863 31.114 30.300 -0.082 0.000 1.170 296 R HN 0.576 nan 8.270 nan 0.000 0.446 297 F N 2.088 122.110 119.950 0.119 0.000 2.561 297 F HA 0.548 5.075 4.527 -0.000 0.000 0.321 297 F C 0.082 176.038 175.800 0.260 0.000 1.065 297 F CA -1.098 57.040 58.000 0.230 0.000 0.934 297 F CB 1.851 41.058 39.000 0.345 0.000 1.215 297 F HN 0.359 nan 8.300 nan 0.000 0.471 298 R N 2.097 122.854 120.500 0.429 0.000 2.599 298 R HA 0.450 4.789 4.340 -0.000 0.000 0.295 298 R C -1.469 174.864 176.300 0.055 0.000 0.963 298 R CA -0.776 55.462 56.100 0.231 0.000 0.883 298 R CB 1.613 31.991 30.300 0.129 0.000 1.171 298 R HN 0.688 nan 8.270 nan 0.000 0.450 299 K N 2.704 123.000 120.400 -0.173 0.000 2.185 299 K HA 0.148 4.468 4.320 -0.000 0.000 0.269 299 K C -0.073 176.376 176.600 -0.252 0.000 0.987 299 K CA -0.519 55.453 56.287 -0.525 0.000 0.865 299 K CB 1.562 33.592 32.500 -0.783 0.000 1.090 299 K HN 0.642 nan 8.250 nan 0.000 0.450 300 E N 3.016 123.079 120.200 -0.228 0.000 2.012 300 E HA 0.084 4.434 4.350 -0.000 0.000 0.192 300 E C 0.572 177.090 176.600 -0.136 0.000 0.977 300 E CA 1.321 57.642 56.400 -0.132 0.000 0.832 300 E CB -0.679 28.961 29.700 -0.099 0.000 0.790 300 E HN 0.753 nan 8.360 nan 0.000 0.466 301 G N -1.603 107.109 108.800 -0.147 0.000 2.543 301 G HA2 0.548 4.508 3.960 -0.000 0.000 0.290 301 G HA3 0.548 4.508 3.960 -0.000 0.000 0.290 301 G C -0.019 174.759 174.900 -0.203 0.000 1.310 301 G CA -0.070 44.943 45.100 -0.147 0.000 1.025 301 G HN 0.595 nan 8.290 nan 0.000 0.502 302 G N -2.624 106.053 108.800 -0.205 0.000 2.368 302 G HA2 0.580 4.540 3.960 -0.000 0.000 0.302 302 G HA3 0.580 4.540 3.960 -0.000 0.000 0.302 302 G C -1.162 173.560 174.900 -0.295 0.000 1.329 302 G CA 0.122 45.069 45.100 -0.254 0.000 0.935 302 G HN 1.849 nan 8.290 nan 0.000 0.590 303 A N -0.895 121.745 122.820 -0.299 0.000 2.393 303 A HA 0.740 5.060 4.320 -0.000 0.000 0.306 303 A C -0.977 176.440 177.584 -0.278 0.000 1.050 303 A CA -0.585 51.299 52.037 -0.254 0.000 0.724 303 A CB 0.912 19.860 19.000 -0.087 0.000 1.248 303 A HN 1.045 nan 8.150 nan 0.000 0.424 304 W N 2.603 123.907 121.300 0.007 0.000 2.308 304 W HA 0.364 5.024 4.660 -0.000 0.000 0.324 304 W C 1.159 177.711 176.519 0.055 0.000 1.387 304 W CA 0.470 57.820 57.345 0.009 0.000 1.250 304 W CB 0.948 30.397 29.460 -0.018 0.000 1.257 304 W HN 0.819 nan 8.180 nan 0.000 0.554 305 S N 1.214 117.125 115.700 0.351 0.000 2.600 305 S HA 0.367 4.837 4.470 -0.000 0.000 0.265 305 S C 0.350 175.106 174.600 0.260 0.000 1.325 305 S CA -0.372 57.979 58.200 0.252 0.000 1.002 305 S CB 1.145 64.479 63.200 0.224 0.000 0.921 305 S HN 0.513 nan 8.310 nan 0.000 0.554 306 T N -1.296 113.337 114.554 0.131 0.000 3.514 306 T HA 0.428 4.778 4.350 -0.000 0.000 0.259 306 T C -2.431 172.261 174.700 -0.012 0.000 1.466 306 T CA -1.254 60.892 62.100 0.076 0.000 1.562 306 T CB -0.251 68.662 68.868 0.077 0.000 0.924 306 T HN 0.607 nan 8.240 nan 0.000 0.678 307 P HA 0.267 nan 4.420 nan 0.000 0.269 307 P C 0.050 177.288 177.300 -0.103 0.000 1.215 307 P CA -0.540 62.487 63.100 -0.121 0.000 0.780 307 P CB 0.912 32.471 31.700 -0.235 0.000 0.898 308 R N 0.760 121.235 120.500 -0.043 0.000 2.638 308 R HA 0.144 4.484 4.340 -0.000 0.000 0.268 308 R C 0.316 176.584 176.300 -0.053 0.000 1.006 308 R CA -0.021 56.062 56.100 -0.029 0.000 1.088 308 R CB -0.131 30.168 30.300 -0.003 0.000 0.950 308 R HN 0.450 nan 8.270 nan 0.000 0.419 309 L N 1.640 122.840 121.223 -0.037 0.000 2.360 309 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 309 L C 0.405 177.269 176.870 -0.010 0.000 1.057 309 L CA -0.814 54.003 54.840 -0.038 0.000 0.803 309 L CB 1.197 43.245 42.059 -0.019 0.000 1.207 309 L HN 0.521 nan 8.230 nan 0.000 0.445 310 E N 2.159 122.356 120.200 -0.005 0.000 2.351 310 E HA 0.071 4.421 4.350 -0.000 0.000 0.266 310 E C -0.946 175.665 176.600 0.018 0.000 1.031 310 E CA 0.355 56.763 56.400 0.013 0.000 0.911 310 E CB 0.378 30.088 29.700 0.018 0.000 0.986 310 E HN 0.291 nan 8.360 nan 0.000 0.446 311 R N 5.510 126.023 120.500 0.021 0.000 2.407 311 R HA 0.323 4.663 4.340 -0.000 0.000 0.298 311 R C -2.211 174.106 176.300 0.027 0.000 1.166 311 R CA -1.830 54.284 56.100 0.023 0.000 1.006 311 R CB 1.127 31.438 30.300 0.019 0.000 1.145 311 R HN 0.480 nan 8.270 nan 0.000 0.538 312 P HA -0.009 nan 4.420 nan 0.000 0.268 312 P C -0.115 177.205 177.300 0.032 0.000 1.205 312 P CA -0.210 62.912 63.100 0.037 0.000 0.771 312 P CB 0.788 32.516 31.700 0.046 0.000 0.858 313 S N 2.882 118.600 115.700 0.031 0.000 2.600 313 S HA 0.347 4.817 4.470 -0.000 0.000 0.265 313 S C -2.013 172.604 174.600 0.028 0.000 1.325 313 S CA -1.029 57.187 58.200 0.027 0.000 1.002 313 S CB -0.670 62.545 63.200 0.025 0.000 0.921 313 S HN 0.330 nan 8.310 nan 0.000 0.554 314 P HA 0.200 nan 4.420 nan 0.000 0.269 314 P C -0.576 176.739 177.300 0.025 0.000 1.209 314 P CA -0.517 62.599 63.100 0.027 0.000 0.776 314 P CB 0.164 31.878 31.700 0.024 0.000 0.876 315 L N 1.841 123.079 121.223 0.026 0.000 2.467 315 L HA 0.065 4.405 4.340 -0.000 0.000 0.270 315 L C 1.413 178.297 176.870 0.023 0.000 1.205 315 L CA 0.624 55.476 54.840 0.020 0.000 0.828 315 L CB -0.341 41.730 42.059 0.019 0.000 1.101 315 L HN 0.528 nan 8.230 nan 0.000 0.479 316 S N 1.350 117.062 115.700 0.019 0.000 2.580 316 S HA 0.039 4.509 4.470 -0.000 0.000 0.266 316 S C 0.878 175.492 174.600 0.024 0.000 1.354 316 S CA -0.519 57.692 58.200 0.020 0.000 1.008 316 S CB 0.548 63.758 63.200 0.016 0.000 0.898 316 S HN 0.557 nan 8.310 nan 0.000 0.555 317 Q N 0.845 120.658 119.800 0.022 0.000 2.135 317 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 317 Q C 2.075 178.091 176.000 0.027 0.000 0.981 317 Q CA 1.984 57.801 55.803 0.023 0.000 0.856 317 Q CB -0.575 28.174 28.738 0.018 0.000 0.902 317 Q HN 0.984 nan 8.270 nan 0.000 0.425 318 E N -0.088 120.127 120.200 0.025 0.000 2.072 318 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 318 E C 1.798 178.422 176.600 0.040 0.000 0.985 318 E CA 0.963 57.380 56.400 0.029 0.000 0.801 318 E CB 0.074 29.787 29.700 0.022 0.000 0.750 318 E HN 0.277 nan 8.360 nan 0.000 0.452 319 A N 1.110 123.952 122.820 0.037 0.000 1.898 319 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 319 A C 2.223 179.851 177.584 0.073 0.000 1.181 319 A CA 0.941 53.006 52.037 0.046 0.000 0.620 319 A CB -0.593 18.417 19.000 0.017 0.000 0.819 319 A HN 0.285 nan 8.150 nan 0.000 0.442 320 L N -1.130 120.134 121.223 0.067 0.000 2.046 320 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 320 L C 2.778 179.686 176.870 0.064 0.000 1.077 320 L CA 1.786 56.678 54.840 0.087 0.000 0.747 320 L CB -0.477 41.617 42.059 0.059 0.000 0.896 320 L HN 0.453 nan 8.230 nan 0.000 0.432 321 R N 0.174 120.701 120.500 0.046 0.000 2.094 321 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 321 R C 2.322 178.649 176.300 0.045 0.000 1.137 321 R CA 1.835 57.955 56.100 0.034 0.000 0.943 321 R CB -0.313 30.006 30.300 0.032 0.000 0.850 321 R HN 0.364 nan 8.270 nan 0.000 0.433 322 A N 0.096 122.960 122.820 0.074 0.000 1.873 322 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 322 A C 2.003 179.649 177.584 0.103 0.000 1.186 322 A CA 1.250 53.354 52.037 0.112 0.000 0.616 322 A CB -0.766 18.324 19.000 0.149 0.000 0.823 322 A HN 0.516 nan 8.150 nan 0.000 0.442 323 F N 0.742 120.587 119.950 -0.174 0.000 2.113 323 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 323 F C 2.361 178.049 175.800 -0.186 0.000 1.103 323 F CA 1.613 59.353 58.000 -0.432 0.000 1.248 323 F CB -0.411 38.303 39.000 -0.477 0.000 0.999 323 F HN 0.102 nan 8.300 nan 0.000 0.475 324 R N -0.130 120.230 120.500 -0.233 0.000 2.096 324 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 324 R C 2.545 178.729 176.300 -0.193 0.000 1.127 324 R CA 1.104 57.036 56.100 -0.281 0.000 0.968 324 R CB -1.196 29.027 30.300 -0.129 0.000 0.861 324 R HN 0.482 nan 8.270 nan 0.000 0.440 325 G N 0.788 109.539 108.800 -0.082 0.000 2.418 325 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 325 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 325 G C 1.231 176.120 174.900 -0.018 0.000 1.158 325 G CA 0.515 45.596 45.100 -0.031 0.000 0.771 325 G HN 0.329 nan 8.290 nan 0.000 0.545 326 F N 1.324 121.199 119.950 -0.125 0.000 2.134 326 F HA 0.029 4.555 4.527 -0.000 0.000 0.299 326 F C 2.362 178.077 175.800 -0.141 0.000 1.097 326 F CA 1.166 59.119 58.000 -0.079 0.000 1.264 326 F CB -0.224 38.799 39.000 0.038 0.000 1.001 326 F HN 0.051 nan 8.300 nan 0.000 0.479 327 L N 0.090 121.025 121.223 -0.481 0.000 2.083 327 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 327 L C 2.558 179.194 176.870 -0.389 0.000 1.083 327 L CA 1.222 55.734 54.840 -0.546 0.000 0.752 327 L CB -0.778 40.986 42.059 -0.491 0.000 0.899 327 L HN 0.144 nan 8.230 nan 0.000 0.433 328 E N 0.048 120.083 120.200 -0.275 0.000 2.047 328 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 328 E C 1.951 178.445 176.600 -0.176 0.000 0.987 328 E CA 1.066 57.355 56.400 -0.186 0.000 0.799 328 E CB -0.124 29.501 29.700 -0.126 0.000 0.752 328 E HN 0.505 nan 8.360 nan 0.000 0.449 329 E N 0.722 120.815 120.200 -0.179 0.000 2.058 329 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 329 E C 1.865 178.349 176.600 -0.193 0.000 0.997 329 E CA 1.273 57.590 56.400 -0.138 0.000 0.801 329 E CB -0.036 29.618 29.700 -0.077 0.000 0.746 329 E HN 0.156 nan 8.360 nan 0.000 0.450 330 A N 0.182 122.780 122.820 -0.370 0.000 2.119 330 A HA 0.141 4.460 4.320 -0.000 0.000 0.216 330 A C 1.703 179.134 177.584 -0.255 0.000 1.152 330 A CA 1.063 52.879 52.037 -0.369 0.000 0.708 330 A CB -0.591 17.979 19.000 -0.718 0.000 0.805 330 A HN 0.522 nan 8.150 nan 0.000 0.460 331 G N -1.290 107.371 108.800 -0.231 0.000 2.314 331 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.292 331 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.292 331 G C -0.245 174.558 174.900 -0.162 0.000 1.059 331 G CA 0.479 45.481 45.100 -0.164 0.000 0.982 331 G HN 1.068 nan 8.290 nan 0.000 0.505 332 L N 0.983 122.088 121.223 -0.198 0.000 2.325 332 L HA 0.793 5.133 4.340 -0.000 0.000 0.281 332 L C 0.217 177.033 176.870 -0.090 0.000 1.004 332 L CA -0.437 54.323 54.840 -0.132 0.000 0.823 332 L CB 1.938 43.925 42.059 -0.120 0.000 1.236 332 L HN 0.093 nan 8.230 nan 0.000 0.415 333 T N 6.336 120.871 114.554 -0.032 0.000 2.794 333 T HA 0.676 5.026 4.350 -0.000 0.000 0.280 333 T C -0.351 174.372 174.700 0.038 0.000 0.987 333 T CA -0.292 61.800 62.100 -0.014 0.000 0.993 333 T CB 0.799 69.660 68.868 -0.011 0.000 0.939 333 T HN 0.443 nan 8.240 nan 0.000 0.449 334 L N 2.420 123.670 121.223 0.046 0.000 2.354 334 L HA 0.645 4.984 4.340 -0.000 0.000 0.264 334 L C -0.239 176.677 176.870 0.077 0.000 1.008 334 L CA -1.121 53.773 54.840 0.091 0.000 0.819 334 L CB 2.031 44.181 42.059 0.152 0.000 1.339 334 L HN 0.409 nan 8.230 nan 0.000 0.420 335 E N 1.553 121.802 120.200 0.081 0.000 2.199 335 E HA 0.731 5.081 4.350 -0.000 0.000 0.265 335 E C -0.342 176.304 176.600 0.075 0.000 0.882 335 E CA -0.391 56.049 56.400 0.067 0.000 0.759 335 E CB 2.414 32.144 29.700 0.050 0.000 1.148 335 E HN 0.793 nan 8.360 nan 0.000 0.412 336 G N 3.093 111.937 108.800 0.073 0.000 2.334 336 G HA2 0.045 4.005 3.960 -0.000 0.000 0.566 336 G HA3 0.045 4.005 3.960 -0.000 0.000 0.566 336 G C -3.008 171.940 174.900 0.080 0.000 1.413 336 G CA -1.163 43.980 45.100 0.072 0.000 0.993 336 G HN 0.318 nan 8.290 nan 0.000 0.642 337 P HA 0.504 nan 4.420 nan 0.000 0.271 337 P C -0.378 176.970 177.300 0.080 0.000 1.218 337 P CA -0.433 62.708 63.100 0.069 0.000 0.780 337 P CB 1.356 33.090 31.700 0.057 0.000 0.901 338 V N 3.803 123.758 119.914 0.069 0.000 2.409 338 V HA 0.286 4.405 4.120 -0.000 0.000 0.291 338 V C -0.113 176.006 176.094 0.041 0.000 1.020 338 V CA -0.681 61.644 62.300 0.042 0.000 0.848 338 V CB 1.427 33.235 31.823 -0.025 0.000 0.990 338 V HN 0.387 nan 8.190 nan 0.000 0.430 339 L N 4.485 125.761 121.223 0.088 0.000 2.282 339 L HA 0.639 4.979 4.340 -0.000 0.000 0.288 339 L C -0.395 176.561 176.870 0.143 0.000 1.033 339 L CA 0.210 55.119 54.840 0.115 0.000 0.807 339 L CB 1.448 43.594 42.059 0.145 0.000 1.209 339 L HN 0.656 nan 8.230 nan 0.000 0.423 340 D N 4.871 125.325 120.400 0.091 0.000 2.329 340 D HA 0.278 4.918 4.640 -0.000 0.000 0.232 340 D C -0.832 175.542 176.300 0.123 0.000 1.088 340 D CA -0.252 53.798 54.000 0.083 0.000 0.835 340 D CB 0.806 41.618 40.800 0.019 0.000 1.078 340 D HN 0.592 nan 8.370 nan 0.000 0.495 341 R N 3.130 123.749 120.500 0.199 0.000 2.358 341 R HA 0.504 4.844 4.340 -0.000 0.000 0.309 341 R C -0.051 176.349 176.300 0.166 0.000 1.026 341 R CA -0.365 55.842 56.100 0.178 0.000 0.909 341 R CB 0.565 30.991 30.300 0.209 0.000 1.153 341 R HN 0.435 nan 8.270 nan 0.000 0.515 342 A N 3.109 125.982 122.820 0.089 0.000 2.704 342 A HA -0.207 4.112 4.320 -0.000 0.000 0.299 342 A C 1.116 178.676 177.584 -0.040 0.000 1.507 342 A CA 1.425 53.491 52.037 0.048 0.000 0.776 342 A CB -2.032 17.017 19.000 0.081 0.000 1.027 342 A HN 1.592 nan 8.150 nan 0.000 0.475 343 G N -2.327 106.437 108.800 -0.059 0.000 2.241 343 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 343 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 343 G C 0.016 174.774 174.900 -0.238 0.000 0.998 343 G CA 0.482 45.483 45.100 -0.165 0.000 0.621 343 G HN 1.496 nan 8.290 nan 0.000 0.519 344 H N 0.721 119.771 119.070 -0.034 0.000 2.668 344 H HA 0.500 5.056 4.556 -0.000 0.000 0.303 344 H C 0.510 175.783 175.328 -0.093 0.000 1.074 344 H CA 0.099 56.127 56.048 -0.034 0.000 1.406 344 H CB 0.827 30.550 29.762 -0.065 0.000 1.442 344 H HN 0.214 nan 8.280 nan 0.000 0.482 345 L N 4.688 125.838 121.223 -0.121 0.000 2.309 345 L HA 0.342 4.682 4.340 -0.000 0.000 0.282 345 L C -0.731 175.923 176.870 -0.359 0.000 1.036 345 L CA -0.694 54.023 54.840 -0.205 0.000 0.806 345 L CB 0.716 42.577 42.059 -0.330 0.000 1.220 345 L HN 0.500 nan 8.230 nan 0.000 0.429 346 Y N 2.575 122.921 120.300 0.078 0.000 2.425 346 Y HA 0.402 4.952 4.550 -0.000 0.000 0.344 346 Y C -0.358 175.578 175.900 0.059 0.000 0.969 346 Y CA -0.825 57.344 58.100 0.115 0.000 1.052 346 Y CB 2.160 40.698 38.460 0.130 0.000 1.215 346 Y HN 0.335 nan 8.280 nan 0.000 0.451 347 L N 4.818 126.167 121.223 0.210 0.000 2.260 347 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 347 L C -0.950 176.014 176.870 0.157 0.000 1.057 347 L CA -0.116 54.819 54.840 0.157 0.000 0.811 347 L CB 0.022 42.170 42.059 0.149 0.000 1.184 347 L HN 0.543 nan 8.230 nan 0.000 0.429 348 L N 7.468 128.767 121.223 0.126 0.000 2.349 348 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 348 L C -1.825 175.094 176.870 0.082 0.000 1.115 348 L CA -1.921 52.979 54.840 0.101 0.000 0.820 348 L CB 0.480 42.585 42.059 0.078 0.000 1.135 348 L HN 0.498 nan 8.230 nan 0.000 0.445 349 P HA 0.028 nan 4.420 nan 0.000 0.272 349 P C -0.514 176.813 177.300 0.044 0.000 1.223 349 P CA -0.465 62.672 63.100 0.062 0.000 0.784 349 P CB 0.525 32.264 31.700 0.065 0.000 0.923 350 E N 1.058 121.278 120.200 0.032 0.000 2.465 350 E HA 0.136 4.486 4.350 -0.000 0.000 0.260 350 E C 0.930 177.532 176.600 0.004 0.000 0.980 350 E CA 0.787 57.197 56.400 0.015 0.000 0.927 350 E CB -0.542 29.160 29.700 0.002 0.000 0.934 350 E HN 0.792 nan 8.360 nan 0.000 0.459 351 G N 3.588 112.393 108.800 0.007 0.000 2.159 351 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.256 351 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.256 351 G C 0.101 175.031 174.900 0.050 0.000 0.977 351 G CA 0.197 45.310 45.100 0.022 0.000 0.652 351 G HN 0.563 nan 8.290 nan 0.000 0.531 352 L N 3.157 124.392 121.223 0.020 0.000 2.615 352 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 352 L C -0.996 175.833 176.870 -0.068 0.000 1.183 352 L CA -1.171 53.665 54.840 -0.007 0.000 0.933 352 L CB 0.154 42.221 42.059 0.013 0.000 1.199 352 L HN 0.106 nan 8.230 nan 0.000 0.487 353 P HA 0.066 nan 4.420 nan 0.000 0.276 353 P C -0.605 176.658 177.300 -0.061 0.000 1.261 353 P CA -0.591 62.340 63.100 -0.283 0.000 0.800 353 P CB 0.448 31.698 31.700 -0.749 0.000 1.066 354 T N 0.743 115.310 114.554 0.022 0.000 2.905 354 T HA 0.039 4.389 4.350 -0.000 0.000 0.299 354 T C 1.059 175.864 174.700 0.176 0.000 1.024 354 T CA 0.154 62.304 62.100 0.083 0.000 1.151 354 T CB -0.728 68.178 68.868 0.063 0.000 0.987 354 T HN 0.202 nan 8.240 nan 0.000 0.535 355 L N 4.923 126.215 121.223 0.114 0.000 2.653 355 L HA 0.317 4.657 4.340 -0.000 0.000 0.231 355 L C 0.713 177.619 176.870 0.061 0.000 1.153 355 L CA -0.555 54.354 54.840 0.115 0.000 0.933 355 L CB -0.168 41.933 42.059 0.070 0.000 1.175 355 L HN 0.503 nan 8.230 nan 0.000 0.473 356 L N 1.552 122.805 121.223 0.049 0.000 2.559 356 L HA 0.229 4.569 4.340 -0.000 0.000 0.274 356 L C 1.279 178.152 176.870 0.005 0.000 1.205 356 L CA 1.322 56.175 54.840 0.022 0.000 0.907 356 L CB 0.273 42.343 42.059 0.019 0.000 1.153 356 L HN 0.371 nan 8.230 nan 0.000 0.490 357 G N 3.756 112.555 108.800 -0.002 0.000 2.205 357 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 357 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 357 G C 0.138 175.024 174.900 -0.022 0.000 0.980 357 G CA 0.402 45.493 45.100 -0.015 0.000 0.632 357 G HN 0.617 nan 8.290 nan 0.000 0.533 358 L N 1.010 122.225 121.223 -0.013 0.000 2.295 358 L HA 0.440 4.780 4.340 -0.000 0.000 0.285 358 L C 0.573 177.438 176.870 -0.008 0.000 1.035 358 L CA -1.043 53.788 54.840 -0.014 0.000 0.806 358 L CB 1.354 43.418 42.059 0.007 0.000 1.214 358 L HN -0.077 nan 8.230 nan 0.000 0.426 359 K N 2.978 123.369 120.400 -0.016 0.000 2.416 359 K HA 0.370 4.690 4.320 -0.000 0.000 0.283 359 K C -0.197 176.390 176.600 -0.021 0.000 1.037 359 K CA -0.060 56.214 56.287 -0.021 0.000 0.995 359 K CB 1.142 33.627 32.500 -0.024 0.000 0.938 359 K HN 0.687 nan 8.250 nan 0.000 0.475 360 A N 5.899 128.697 122.820 -0.037 0.000 2.646 360 A HA 0.362 4.682 4.320 -0.000 0.000 0.312 360 A C -1.972 175.551 177.584 -0.100 0.000 1.245 360 A CA -1.373 50.631 52.037 -0.055 0.000 0.755 360 A CB 0.816 19.784 19.000 -0.053 0.000 1.132 360 A HN 0.369 nan 8.150 nan 0.000 0.458 361 P HA -0.087 nan 4.420 nan 0.000 0.216 361 P C 0.490 177.695 177.300 -0.157 0.000 1.150 361 P CA 2.119 65.155 63.100 -0.107 0.000 0.843 361 P CB 0.355 32.006 31.700 -0.082 0.000 0.787 362 A N -1.804 120.913 122.820 -0.172 0.000 2.599 362 A HA 0.472 4.792 4.320 -0.000 0.000 0.281 362 A C -2.359 175.069 177.584 -0.260 0.000 1.137 362 A CA -0.969 50.923 52.037 -0.242 0.000 0.767 362 A CB 0.929 19.919 19.000 -0.017 0.000 1.266 362 A HN -0.121 nan 8.150 nan 0.000 0.420 363 P HA 0.120 nan 4.420 nan 0.000 0.226 363 P C 0.948 178.214 177.300 -0.056 0.000 1.153 363 P CA 1.701 64.656 63.100 -0.241 0.000 0.777 363 P CB 0.516 32.036 31.700 -0.301 0.000 0.794 364 G N -1.660 107.166 108.800 0.044 0.000 2.570 364 G HA2 0.370 4.329 3.960 -0.000 0.000 0.310 364 G HA3 0.370 4.329 3.960 -0.000 0.000 0.310 364 G C -1.844 173.235 174.900 0.299 0.000 1.266 364 G CA -0.650 44.557 45.100 0.178 0.000 0.825 364 G HN 0.072 nan 8.290 nan 0.000 0.483 365 L N 1.082 122.455 121.223 0.249 0.000 2.534 365 L HA 0.424 4.764 4.340 -0.000 0.000 0.271 365 L C -0.309 176.749 176.870 0.313 0.000 1.178 365 L CA -0.635 54.350 54.840 0.241 0.000 0.907 365 L CB -0.041 42.110 42.059 0.153 0.000 1.164 365 L HN 0.509 nan 8.230 nan 0.000 0.482 366 Y N 5.654 126.046 120.300 0.155 0.000 2.436 366 Y HA 0.214 4.764 4.550 -0.000 0.000 0.336 366 Y C 0.492 176.369 175.900 -0.039 0.000 1.049 366 Y CA -0.356 57.732 58.100 -0.019 0.000 1.294 366 Y CB 0.684 39.158 38.460 0.024 0.000 1.179 366 Y HN 0.742 nan 8.280 nan 0.000 0.520 367 L N 4.984 125.992 121.223 -0.358 0.000 2.298 367 L HA 0.371 4.711 4.340 -0.000 0.000 0.209 367 L C 1.213 177.844 176.870 -0.399 0.000 1.084 367 L CA 0.706 55.426 54.840 -0.200 0.000 0.816 367 L CB -0.285 41.770 42.059 -0.007 0.000 0.967 367 L HN 0.902 nan 8.230 nan 0.000 0.460 368 G N -0.054 108.187 108.800 -0.931 0.000 2.357 368 G HA2 0.029 3.989 3.960 -0.000 0.000 0.289 368 G HA3 0.029 3.989 3.960 -0.000 0.000 0.289 368 G C -1.800 172.718 174.900 -0.637 0.000 1.302 368 G CA -0.767 43.715 45.100 -1.031 0.000 0.936 368 G HN -0.104 nan 8.290 nan 0.000 0.513 369 K N -0.152 119.814 120.400 -0.723 0.000 2.397 369 K HA 0.652 4.972 4.320 -0.000 0.000 0.253 369 K C -0.654 175.747 176.600 -0.332 0.000 0.932 369 K CA -0.710 55.327 56.287 -0.417 0.000 0.795 369 K CB 2.163 34.440 32.500 -0.372 0.000 1.159 369 K HN 0.442 nan 8.250 nan 0.000 0.424 370 V N 4.549 124.399 119.914 -0.107 0.000 2.432 370 V HA 0.194 4.314 4.120 -0.000 0.000 0.271 370 V C -0.264 175.773 176.094 -0.094 0.000 1.046 370 V CA -0.116 62.183 62.300 -0.002 0.000 0.945 370 V CB 0.956 32.809 31.823 0.050 0.000 0.992 370 V HN 0.773 nan 8.190 nan 0.000 0.471 371 Q N 4.764 124.519 119.800 -0.075 0.000 2.295 371 Q HA 0.295 4.635 4.340 -0.000 0.000 0.259 371 Q C -0.775 175.202 176.000 -0.039 0.000 0.966 371 Q CA -0.786 54.971 55.803 -0.078 0.000 0.763 371 Q CB 0.922 29.595 28.738 -0.109 0.000 1.283 371 Q HN 0.663 nan 8.270 nan 0.000 0.445 372 K N 2.113 122.498 120.400 -0.024 0.000 3.244 372 K HA -0.231 4.089 4.320 -0.000 0.000 0.270 372 K C 0.474 177.076 176.600 0.004 0.000 1.016 372 K CA 0.970 57.251 56.287 -0.010 0.000 0.754 372 K CB -2.193 30.299 32.500 -0.012 0.000 1.326 372 K HN 1.185 nan 8.250 nan 0.000 0.465 373 G N -0.096 108.712 108.800 0.014 0.000 2.180 373 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.263 373 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.263 373 G C 0.113 175.041 174.900 0.047 0.000 0.989 373 G CA 1.140 46.259 45.100 0.031 0.000 0.692 373 G HN 0.522 nan 8.290 nan 0.000 0.526 374 R N -1.202 119.321 120.500 0.039 0.000 2.711 374 R HA 0.646 4.986 4.340 -0.000 0.000 0.284 374 R C -1.036 175.313 176.300 0.082 0.000 0.968 374 R CA -0.939 55.193 56.100 0.053 0.000 0.924 374 R CB 1.360 31.664 30.300 0.007 0.000 1.162 374 R HN 0.115 nan 8.270 nan 0.000 0.465 375 F N 3.288 123.201 119.950 -0.063 0.000 2.411 375 F HA 0.380 4.907 4.527 -0.000 0.000 0.352 375 F C -0.872 174.784 175.800 -0.240 0.000 1.123 375 F CA -0.848 57.071 58.000 -0.135 0.000 1.044 375 F CB 0.763 39.714 39.000 -0.082 0.000 1.135 375 F HN 0.243 nan 8.300 nan 0.000 0.461 376 L N 9.107 129.787 121.223 -0.905 0.000 2.264 376 L HA 0.401 4.741 4.340 -0.000 0.000 0.287 376 L C -2.201 173.922 176.870 -1.244 0.000 1.039 376 L CA -2.001 52.356 54.840 -0.805 0.000 0.829 376 L CB 0.876 42.651 42.059 -0.474 0.000 1.211 376 L HN 0.437 nan 8.230 nan 0.000 0.427 377 P HA 0.154 nan 4.420 nan 0.000 0.274 377 P C -0.601 176.304 177.300 -0.659 0.000 1.231 377 P CA -0.385 62.000 63.100 -1.191 0.000 0.790 377 P CB 1.333 32.083 31.700 -1.584 0.000 0.951 378 A N 2.464 125.011 122.820 -0.454 0.000 2.316 378 A HA 0.226 4.546 4.320 -0.000 0.000 0.284 378 A C 1.701 179.343 177.584 0.097 0.000 1.115 378 A CA -0.534 51.349 52.037 -0.256 0.000 0.812 378 A CB 0.018 18.668 19.000 -0.584 0.000 1.064 378 A HN 0.611 nan 8.150 nan 0.000 0.489 379 R N 1.593 122.157 120.500 0.107 0.000 2.105 379 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 379 R C 2.012 178.334 176.300 0.037 0.000 1.135 379 R CA 2.015 58.177 56.100 0.103 0.000 0.967 379 R CB -0.334 30.015 30.300 0.082 0.000 0.861 379 R HN 0.841 nan 8.270 nan 0.000 0.442 380 A N 0.783 123.641 122.820 0.062 0.000 1.933 380 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 380 A C 2.001 179.543 177.584 -0.070 0.000 1.175 380 A CA 1.278 53.339 52.037 0.040 0.000 0.628 380 A CB -0.546 18.543 19.000 0.148 0.000 0.814 380 A HN 0.401 nan 8.150 nan 0.000 0.444 381 L N -0.223 120.952 121.223 -0.079 0.000 2.017 381 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 381 L C 2.641 179.111 176.870 -0.667 0.000 1.073 381 L CA 2.201 56.919 54.840 -0.204 0.000 0.745 381 L CB -0.867 41.213 42.059 0.035 0.000 0.894 381 L HN 0.325 nan 8.230 nan 0.000 0.432 382 A N -0.430 122.095 122.820 -0.491 0.000 1.908 382 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 382 A C 2.167 179.396 177.584 -0.591 0.000 1.181 382 A CA 1.917 53.475 52.037 -0.798 0.000 0.627 382 A CB -0.934 17.669 19.000 -0.662 0.000 0.818 382 A HN 0.446 nan 8.150 nan 0.000 0.445 383 L N -0.920 120.097 121.223 -0.343 0.000 2.275 383 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 383 L C 2.771 179.476 176.870 -0.275 0.000 1.119 383 L CA 1.630 56.334 54.840 -0.227 0.000 0.790 383 L CB -1.370 40.620 42.059 -0.116 0.000 0.919 383 L HN 0.494 nan 8.230 nan 0.000 0.443 384 A N -1.026 121.573 122.820 -0.368 0.000 2.119 384 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 384 A C 0.682 178.092 177.584 -0.290 0.000 1.152 384 A CA -0.078 51.787 52.037 -0.287 0.000 0.708 384 A CB -0.373 18.493 19.000 -0.222 0.000 0.805 384 A HN 0.174 nan 8.150 nan 0.000 0.460 385 F N 0.230 119.963 119.950 -0.363 0.000 2.578 385 F HA 0.418 4.945 4.527 -0.000 0.000 0.381 385 F C 1.706 176.924 175.800 -0.969 0.000 1.069 385 F CA 0.628 58.220 58.000 -0.680 0.000 1.231 385 F CB -0.238 38.243 39.000 -0.866 0.000 1.086 385 F HN 0.289 nan 8.300 nan 0.000 0.564 386 G N 1.366 109.751 108.800 -0.693 0.000 2.205 386 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 386 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 386 G C 0.913 175.764 174.900 -0.082 0.000 0.980 386 G CA 0.604 45.493 45.100 -0.353 0.000 0.632 386 G HN 1.045 nan 8.290 nan 0.000 0.533 387 A N -0.749 121.991 122.820 -0.133 0.000 1.963 387 A HA 0.576 4.896 4.320 -0.000 0.000 0.211 387 A C 2.173 179.722 177.584 -0.059 0.000 1.380 387 A CA 2.322 54.300 52.037 -0.099 0.000 0.690 387 A CB -0.174 18.723 19.000 -0.172 0.000 1.060 387 A HN 1.405 nan 8.150 nan 0.000 0.498 388 T N -3.348 111.174 114.554 -0.053 0.000 3.058 388 T HA 0.581 4.931 4.350 -0.000 0.000 0.278 388 T C 0.095 174.805 174.700 0.017 0.000 0.974 388 T CA -0.216 61.880 62.100 -0.007 0.000 0.893 388 T CB -0.182 68.690 68.868 0.007 0.000 1.138 388 T HN 0.127 nan 8.240 nan 0.000 0.529 389 L N 1.516 122.747 121.223 0.013 0.000 2.333 389 L HA 0.643 4.983 4.340 -0.000 0.000 0.263 389 L C -2.623 174.287 176.870 0.066 0.000 1.014 389 L CA -2.947 51.939 54.840 0.077 0.000 0.820 389 L CB 2.306 44.460 42.059 0.158 0.000 1.352 389 L HN -0.125 nan 8.230 nan 0.000 0.421 390 P HA 0.030 nan 4.420 nan 0.000 0.272 390 P C -1.250 176.056 177.300 0.009 0.000 1.230 390 P CA -0.341 62.805 63.100 0.077 0.000 0.788 390 P CB 0.322 32.065 31.700 0.073 0.000 0.949 391 W N 2.043 123.286 121.300 -0.095 0.000 2.190 391 W HA 0.237 4.897 4.660 -0.000 0.000 0.330 391 W C -1.536 174.738 176.519 -0.409 0.000 1.299 391 W CA -1.293 55.873 57.345 -0.299 0.000 1.215 391 W CB -0.670 28.670 29.460 -0.200 0.000 1.147 391 W HN 0.295 nan 8.180 nan 0.000 0.563 392 P HA 0.006 nan 4.420 nan 0.000 0.276 392 P C 0.094 177.309 177.300 -0.142 0.000 1.253 392 P CA 0.281 63.188 63.100 -0.322 0.000 0.766 392 P CB 1.299 32.742 31.700 -0.427 0.000 0.845 393 E N 2.536 122.672 120.200 -0.107 0.000 2.442 393 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 393 E C 1.854 178.404 176.600 -0.083 0.000 1.030 393 E CA 0.589 56.940 56.400 -0.082 0.000 0.869 393 E CB -0.211 29.448 29.700 -0.068 0.000 0.857 393 E HN 0.653 nan 8.360 nan 0.000 0.505 394 G N 0.169 108.911 108.800 -0.096 0.000 2.887 394 G HA2 0.141 4.101 3.960 -0.000 0.000 0.211 394 G HA3 0.141 4.101 3.960 -0.000 0.000 0.211 394 G C 0.666 175.530 174.900 -0.060 0.000 1.152 394 G CA -0.250 44.801 45.100 -0.081 0.000 0.769 394 G HN 0.045 nan 8.290 nan 0.000 0.541 395 L N 1.593 122.783 121.223 -0.054 0.000 2.350 395 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 395 L C -2.031 174.814 176.870 -0.042 0.000 1.099 395 L CA -1.923 52.909 54.840 -0.012 0.000 0.808 395 L CB 1.278 43.372 42.059 0.058 0.000 1.149 395 L HN -0.100 nan 8.230 nan 0.000 0.442 396 P HA 0.074 nan 4.420 nan 0.000 0.265 396 P C -0.870 176.332 177.300 -0.163 0.000 1.193 396 P CA -0.002 62.986 63.100 -0.186 0.000 0.765 396 P CB 0.417 31.828 31.700 -0.482 0.000 0.823 397 R N 3.168 123.587 120.500 -0.134 0.000 2.343 397 R HA 0.508 4.848 4.340 -0.000 0.000 0.320 397 R C -0.947 175.300 176.300 -0.088 0.000 0.956 397 R CA -0.567 55.477 56.100 -0.093 0.000 0.836 397 R CB 0.440 30.686 30.300 -0.089 0.000 1.151 397 R HN 0.460 nan 8.270 nan 0.000 0.450 398 L N 3.859 125.024 121.223 -0.097 0.000 2.325 398 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 398 L C -0.301 176.540 176.870 -0.049 0.000 1.004 398 L CA -0.917 53.889 54.840 -0.056 0.000 0.823 398 L CB 1.916 43.835 42.059 -0.234 0.000 1.236 398 L HN 0.663 nan 8.230 nan 0.000 0.415 399 A N 5.041 127.880 122.820 0.032 0.000 2.324 399 A HA 0.910 5.230 4.320 -0.000 0.000 0.330 399 A C -0.726 176.886 177.584 0.046 0.000 1.165 399 A CA -0.457 51.590 52.037 0.017 0.000 0.813 399 A CB 1.095 20.101 19.000 0.009 0.000 1.197 399 A HN 0.684 nan 8.150 nan 0.000 0.484 400 L N 1.373 122.611 121.223 0.025 0.000 2.370 400 L HA 0.572 4.912 4.340 -0.000 0.000 0.266 400 L C 0.638 177.544 176.870 0.059 0.000 1.002 400 L CA -0.801 54.063 54.840 0.040 0.000 0.818 400 L CB 2.515 44.578 42.059 0.007 0.000 1.325 400 L HN 0.883 nan 8.230 nan 0.000 0.418 401 T N -2.212 112.373 114.554 0.051 0.000 2.899 401 T HA 0.322 4.672 4.350 -0.000 0.000 0.284 401 T C -2.019 172.706 174.700 0.042 0.000 1.004 401 T CA -1.728 60.407 62.100 0.059 0.000 1.043 401 T CB 1.452 70.342 68.868 0.037 0.000 1.013 401 T HN 0.336 nan 8.240 nan 0.000 0.518 402 P HA 0.009 nan 4.420 nan 0.000 0.220 402 P C 0.979 178.191 177.300 -0.147 0.000 1.148 402 P CA 0.844 63.895 63.100 -0.081 0.000 0.803 402 P CB 0.063 31.673 31.700 -0.149 0.000 0.782 403 E N -0.555 119.600 120.200 -0.075 0.000 2.274 403 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 403 E C 0.761 177.335 176.600 -0.043 0.000 0.996 403 E CA 0.494 56.855 56.400 -0.064 0.000 0.840 403 E CB -0.800 28.879 29.700 -0.034 0.000 0.772 403 E HN 0.232 nan 8.360 nan 0.000 0.491 404 D N 0.331 120.717 120.400 -0.024 0.000 2.401 404 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 404 D C -1.732 174.564 176.300 -0.007 0.000 1.192 404 D CA -2.012 51.985 54.000 -0.004 0.000 0.885 404 D CB 1.139 41.949 40.800 0.016 0.000 1.147 404 D HN -0.149 nan 8.370 nan 0.000 0.478 405 P HA -0.079 nan 4.420 nan 0.000 0.221 405 P C 1.151 178.467 177.300 0.026 0.000 1.145 405 P CA 0.852 63.953 63.100 0.002 0.000 0.795 405 P CB 0.219 31.925 31.700 0.010 0.000 0.775 406 R N -0.309 120.219 120.500 0.047 0.000 2.127 406 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 406 R C 2.207 178.568 176.300 0.101 0.000 1.134 406 R CA 1.421 57.572 56.100 0.084 0.000 0.975 406 R CB -0.954 29.405 30.300 0.099 0.000 0.865 406 R HN 0.179 nan 8.270 nan 0.000 0.447 407 A N 1.303 124.161 122.820 0.064 0.000 1.877 407 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 407 A C 2.083 179.729 177.584 0.104 0.000 1.186 407 A CA 1.108 53.194 52.037 0.082 0.000 0.620 407 A CB -0.464 18.562 19.000 0.044 0.000 0.822 407 A HN 0.234 nan 8.150 nan 0.000 0.443 408 L N -0.343 120.899 121.223 0.033 0.000 2.056 408 L HA 0.000 4.340 4.340 -0.000 0.000 0.207 408 L C 2.654 179.516 176.870 -0.014 0.000 1.078 408 L CA 2.071 56.913 54.840 0.004 0.000 0.749 408 L CB -0.807 41.236 42.059 -0.027 0.000 0.901 408 L HN 0.349 nan 8.230 nan 0.000 0.433 409 A N -0.834 122.002 122.820 0.025 0.000 1.877 409 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 409 A C 2.307 179.913 177.584 0.036 0.000 1.186 409 A CA 1.910 53.958 52.037 0.019 0.000 0.620 409 A CB -1.251 17.779 19.000 0.049 0.000 0.822 409 A HN 0.541 nan 8.150 nan 0.000 0.443 410 F N 0.985 120.917 119.950 -0.030 0.000 2.134 410 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 410 F C 2.403 178.179 175.800 -0.039 0.000 1.097 410 F CA 1.405 59.391 58.000 -0.023 0.000 1.264 410 F CB -0.227 38.771 39.000 -0.003 0.000 1.001 410 F HN 0.228 nan 8.300 nan 0.000 0.479 411 A N -0.847 122.042 122.820 0.115 0.000 2.121 411 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 411 A C 1.649 179.091 177.584 -0.236 0.000 1.154 411 A CA 1.630 53.671 52.037 0.006 0.000 0.679 411 A CB -1.270 17.804 19.000 0.124 0.000 0.795 411 A HN 0.473 nan 8.150 nan 0.000 0.458 412 T N -5.425 108.955 114.554 -0.290 0.000 3.266 412 T HA 0.480 4.830 4.350 -0.000 0.000 0.278 412 T C 0.980 175.555 174.700 -0.209 0.000 1.010 412 T CA 0.755 62.650 62.100 -0.342 0.000 0.909 412 T CB 0.070 68.681 68.868 -0.427 0.000 1.122 412 T HN 1.557 nan 8.240 nan 0.000 0.536 413 G N 1.039 109.702 108.800 -0.229 0.000 2.157 413 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.239 413 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.239 413 G C -0.321 174.487 174.900 -0.153 0.000 0.982 413 G CA -0.243 44.739 45.100 -0.196 0.000 0.650 413 G HN 0.643 nan 8.290 nan 0.000 0.527 414 E N 0.242 120.366 120.200 -0.127 0.000 2.231 414 E HA 0.529 4.879 4.350 -0.000 0.000 0.277 414 E C 0.885 177.477 176.600 -0.013 0.000 0.999 414 E CA -0.340 56.028 56.400 -0.052 0.000 0.827 414 E CB 1.324 31.014 29.700 -0.016 0.000 1.101 414 E HN 0.348 nan 8.360 nan 0.000 0.393 415 G N 0.800 109.612 108.800 0.020 0.000 2.483 415 G HA2 0.372 4.332 3.960 -0.000 0.000 0.248 415 G HA3 0.372 4.332 3.960 -0.000 0.000 0.248 415 G C -0.193 174.775 174.900 0.112 0.000 1.248 415 G CA -0.358 44.788 45.100 0.076 0.000 0.838 415 G HN 0.302 nan 8.290 nan 0.000 0.566 416 V N -0.626 119.387 119.914 0.165 0.000 2.914 416 V HA 0.879 4.999 4.120 -0.000 0.000 0.314 416 V C 0.414 176.622 176.094 0.190 0.000 1.084 416 V CA -0.959 61.441 62.300 0.167 0.000 0.963 416 V CB 1.292 33.231 31.823 0.194 0.000 1.025 416 V HN 1.368 nan 8.190 nan 0.000 0.432 417 A N 4.010 126.929 122.820 0.165 0.000 2.511 417 A HA 0.453 4.773 4.320 -0.000 0.000 0.242 417 A C -0.431 177.323 177.584 0.283 0.000 1.069 417 A CA -0.184 51.958 52.037 0.176 0.000 0.763 417 A CB 0.140 19.202 19.000 0.105 0.000 1.001 417 A HN 1.476 nan 8.150 nan 0.000 0.498 418 W N 2.624 123.943 121.300 0.032 0.000 2.900 418 W HA 0.371 5.031 4.660 -0.000 0.000 0.336 418 W C -0.692 175.840 176.519 0.022 0.000 1.064 418 W CA -0.373 56.989 57.345 0.029 0.000 1.237 418 W CB 1.577 31.064 29.460 0.045 0.000 1.391 418 W HN 0.904 nan 8.180 nan 0.000 0.468 419 E N 2.688 122.476 120.200 -0.686 0.000 2.481 419 E HA 0.135 4.485 4.350 -0.000 0.000 0.198 419 E C 1.283 177.477 176.600 -0.677 0.000 1.027 419 E CA -0.181 55.904 56.400 -0.524 0.000 0.900 419 E CB 1.095 30.586 29.700 -0.348 0.000 0.993 419 E HN 0.477 nan 8.360 nan 0.000 0.482 420 G N 0.870 108.863 108.800 -1.344 0.000 2.494 420 G HA2 0.100 4.060 3.960 -0.000 0.000 0.270 420 G HA3 0.100 4.060 3.960 -0.000 0.000 0.270 420 G C 0.179 175.045 174.900 -0.055 0.000 1.423 420 G CA -0.515 44.200 45.100 -0.642 0.000 1.055 420 G HN -0.081 nan 8.290 nan 0.000 0.536 421 E N 0.419 120.721 120.200 0.169 0.000 2.374 421 E HA 0.157 4.507 4.350 -0.000 0.000 0.260 421 E C -0.462 176.171 176.600 0.054 0.000 1.101 421 E CA -0.344 56.093 56.400 0.061 0.000 0.907 421 E CB 0.697 30.360 29.700 -0.061 0.000 1.014 421 E HN 0.280 nan 8.360 nan 0.000 0.427 422 D N 1.473 121.827 120.400 -0.076 0.000 2.414 422 D HA 0.110 4.750 4.640 -0.000 0.000 0.242 422 D C -0.201 175.861 176.300 -0.395 0.000 1.129 422 D CA 0.681 54.627 54.000 -0.090 0.000 0.885 422 D CB 0.373 41.153 40.800 -0.033 0.000 1.198 422 D HN 0.225 nan 8.370 nan 0.000 0.437 423 H N 1.085 120.196 119.070 0.068 0.000 3.096 423 H HA 0.169 4.725 4.556 -0.000 0.000 0.335 423 H C -1.868 173.481 175.328 0.035 0.000 0.990 423 H CA -1.274 54.802 56.048 0.047 0.000 1.393 423 H CB 2.060 31.839 29.762 0.028 0.000 1.742 423 H HN 0.095 nan 8.280 nan 0.000 0.501 424 P HA -0.095 nan 4.420 nan 0.000 0.218 424 P C -0.027 177.344 177.300 0.119 0.000 1.149 424 P CA 0.774 63.937 63.100 0.105 0.000 0.817 424 P CB 0.694 32.444 31.700 0.085 0.000 0.785 425 L N -1.699 119.614 121.223 0.150 0.000 2.528 425 L HA 0.703 5.043 4.340 -0.000 0.000 0.267 425 L C -1.402 175.573 176.870 0.175 0.000 0.961 425 L CA -0.952 53.989 54.840 0.168 0.000 0.866 425 L CB 1.301 43.461 42.059 0.169 0.000 1.248 425 L HN -0.183 nan 8.230 nan 0.000 0.404 426 A N 3.875 126.798 122.820 0.171 0.000 2.430 426 A HA 0.849 5.169 4.320 -0.000 0.000 0.300 426 A C -1.819 175.874 177.584 0.180 0.000 1.124 426 A CA -0.638 51.445 52.037 0.076 0.000 0.766 426 A CB 1.605 20.536 19.000 -0.116 0.000 1.328 426 A HN 0.745 nan 8.150 nan 0.000 0.424 427 L N 1.611 122.891 121.223 0.096 0.000 2.272 427 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 427 L C -0.817 176.051 176.870 -0.002 0.000 1.032 427 L CA -0.170 54.711 54.840 0.068 0.000 0.810 427 L CB 1.170 43.282 42.059 0.089 0.000 1.205 427 L HN 0.392 nan 8.230 nan 0.000 0.422 428 V N 6.104 126.003 119.914 -0.025 0.000 2.439 428 V HA 0.632 4.752 4.120 -0.000 0.000 0.282 428 V C 0.005 176.084 176.094 -0.025 0.000 1.039 428 V CA -0.344 61.864 62.300 -0.154 0.000 0.913 428 V CB 1.485 32.996 31.823 -0.521 0.000 0.983 428 V HN 0.685 nan 8.190 nan 0.000 0.460 429 V N 3.281 123.189 119.914 -0.011 0.000 3.001 429 V HA 0.657 4.777 4.120 -0.000 0.000 0.314 429 V C -0.655 175.496 176.094 0.095 0.000 1.099 429 V CA -1.059 61.303 62.300 0.104 0.000 0.989 429 V CB 2.179 34.087 31.823 0.141 0.000 1.040 429 V HN 0.628 nan 8.190 nan 0.000 0.434 430 L N 3.028 124.366 121.223 0.192 0.000 2.276 430 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 430 L C 0.308 177.293 176.870 0.192 0.000 1.061 430 L CA -0.472 54.504 54.840 0.226 0.000 0.807 430 L CB 1.389 43.674 42.059 0.377 0.000 1.177 430 L HN 0.903 nan 8.230 nan 0.000 0.429 431 K N 1.957 122.435 120.400 0.131 0.000 2.185 431 K HA 0.631 4.951 4.320 -0.000 0.000 0.269 431 K C -0.410 176.268 176.600 0.131 0.000 0.987 431 K CA -0.616 55.717 56.287 0.076 0.000 0.865 431 K CB 1.708 34.217 32.500 0.015 0.000 1.090 431 K HN 0.558 nan 8.250 nan 0.000 0.450 432 T N -1.662 112.962 114.554 0.116 0.000 2.838 432 T HA 0.498 4.848 4.350 -0.000 0.000 0.292 432 T C 0.837 175.573 174.700 0.061 0.000 1.113 432 T CA -0.556 61.632 62.100 0.146 0.000 1.008 432 T CB 1.569 70.597 68.868 0.267 0.000 1.259 432 T HN 0.497 nan 8.240 nan 0.000 0.520 433 A N 0.096 122.948 122.820 0.052 0.000 2.121 433 A HA 0.407 4.726 4.320 -0.000 0.000 0.218 433 A C 2.277 179.869 177.584 0.014 0.000 1.154 433 A CA 1.420 53.465 52.037 0.015 0.000 0.679 433 A CB -1.232 17.770 19.000 0.004 0.000 0.795 433 A HN 1.294 nan 8.150 nan 0.000 0.458 434 A N -1.547 121.307 122.820 0.057 0.000 2.178 434 A HA 0.493 4.813 4.320 -0.000 0.000 0.211 434 A C 1.268 178.854 177.584 0.003 0.000 1.157 434 A CA 1.273 53.361 52.037 0.084 0.000 0.780 434 A CB -0.532 18.588 19.000 0.199 0.000 0.828 434 A HN 1.899 nan 8.150 nan 0.000 0.476 435 G N -1.132 107.604 108.800 -0.107 0.000 2.343 435 G HA2 0.151 4.111 3.960 -0.000 0.000 0.465 435 G HA3 0.151 4.111 3.960 -0.000 0.000 0.465 435 G C -1.179 173.404 174.900 -0.528 0.000 1.282 435 G CA -0.704 44.201 45.100 -0.325 0.000 0.996 435 G HN 0.239 nan 8.290 nan 0.000 0.521 436 E N -0.752 119.099 120.200 -0.581 0.000 2.242 436 E HA 0.643 4.993 4.350 -0.000 0.000 0.275 436 E C -1.175 175.101 176.600 -0.541 0.000 1.002 436 E CA -0.321 55.821 56.400 -0.430 0.000 0.841 436 E CB 1.378 30.896 29.700 -0.304 0.000 1.109 436 E HN 0.283 nan 8.360 nan 0.000 0.394 437 F N 2.381 122.487 119.950 0.259 0.000 2.547 437 F HA 0.310 4.837 4.527 -0.000 0.000 0.316 437 F C -2.190 173.749 175.800 0.232 0.000 1.121 437 F CA -2.679 55.474 58.000 0.253 0.000 0.911 437 F CB 1.596 40.664 39.000 0.115 0.000 1.179 437 F HN 0.220 nan 8.300 nan 0.000 0.443 438 P HA 0.203 nan 4.420 nan 0.000 0.271 438 P C 0.013 177.404 177.300 0.152 0.000 1.218 438 P CA -0.004 63.207 63.100 0.185 0.000 0.780 438 P CB 1.691 33.394 31.700 0.004 0.000 0.901 439 L N 0.334 121.652 121.223 0.159 0.000 2.435 439 L HA 0.343 4.683 4.340 -0.000 0.000 0.195 439 L C 0.883 177.857 176.870 0.173 0.000 1.072 439 L CA 0.880 55.846 54.840 0.210 0.000 0.833 439 L CB -0.011 42.246 42.059 0.331 0.000 1.081 439 L HN 0.396 nan 8.230 nan 0.000 0.485 440 D N -2.534 117.977 120.400 0.185 0.000 2.807 440 D HA 0.212 4.852 4.640 -0.000 0.000 0.279 440 D C -1.353 174.974 176.300 0.044 0.000 1.247 440 D CA -0.609 53.445 54.000 0.089 0.000 0.749 440 D CB 0.920 41.804 40.800 0.141 0.000 1.264 440 D HN -0.268 nan 8.370 nan 0.000 0.421 441 F N 0.525 120.596 119.950 0.202 0.000 2.459 441 F HA 0.556 5.083 4.527 -0.000 0.000 0.346 441 F C 1.500 177.440 175.800 0.233 0.000 1.128 441 F CA 0.835 58.954 58.000 0.199 0.000 1.268 441 F CB 1.138 40.220 39.000 0.136 0.000 1.161 441 F HN 0.252 nan 8.300 nan 0.000 0.583 442 G N 1.511 110.544 108.800 0.388 0.000 2.642 442 G HA2 0.570 4.530 3.960 -0.000 0.000 0.293 442 G HA3 0.570 4.530 3.960 -0.000 0.000 0.293 442 G C -2.014 172.988 174.900 0.169 0.000 1.341 442 G CA -0.967 44.323 45.100 0.317 0.000 0.916 442 G HN 0.555 nan 8.290 nan 0.000 0.474 443 K N 0.009 120.478 120.400 0.116 0.000 2.376 443 K HA 0.687 5.007 4.320 -0.000 0.000 0.257 443 K C -0.691 175.913 176.600 0.007 0.000 0.939 443 K CA -0.688 55.639 56.287 0.067 0.000 0.809 443 K CB 1.780 34.318 32.500 0.064 0.000 1.121 443 K HN 0.652 nan 8.250 nan 0.000 0.425 444 A N 4.574 127.382 122.820 -0.020 0.000 2.271 444 A HA 0.535 4.855 4.320 -0.000 0.000 0.317 444 A C -1.070 176.542 177.584 0.046 0.000 1.245 444 A CA -0.535 51.456 52.037 -0.076 0.000 0.857 444 A CB 0.671 19.516 19.000 -0.258 0.000 1.175 444 A HN 0.763 nan 8.150 nan 0.000 0.512 445 K N 1.714 122.162 120.400 0.079 0.000 2.557 445 K HA 0.476 4.796 4.320 -0.000 0.000 0.261 445 K C -0.426 176.233 176.600 0.099 0.000 0.932 445 K CA -0.729 55.608 56.287 0.083 0.000 0.829 445 K CB 1.131 33.664 32.500 0.056 0.000 1.358 445 K HN 0.686 nan 8.250 nan 0.000 0.430 446 R N 1.834 122.388 120.500 0.089 0.000 3.502 446 R HA -0.240 4.100 4.340 -0.000 0.000 0.266 446 R C 0.503 176.864 176.300 0.102 0.000 1.077 446 R CA 0.928 57.075 56.100 0.079 0.000 0.718 446 R CB -2.019 28.316 30.300 0.058 0.000 1.120 446 R HN 1.132 nan 8.270 nan 0.000 0.457 447 G N -1.746 107.146 108.800 0.154 0.000 2.148 447 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 447 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 447 G C 0.032 175.068 174.900 0.227 0.000 0.981 447 G CA 0.071 45.279 45.100 0.179 0.000 0.670 447 G HN 0.320 nan 8.290 nan 0.000 0.528 448 V N 0.526 120.570 119.914 0.216 0.000 2.638 448 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 448 V C -0.232 175.944 176.094 0.137 0.000 1.052 448 V CA -0.946 61.464 62.300 0.183 0.000 0.885 448 V CB 1.856 33.749 31.823 0.116 0.000 0.999 448 V HN 0.469 nan 8.190 nan 0.000 0.424 449 L N 6.360 127.654 121.223 0.118 0.000 2.272 449 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 449 L C -0.099 176.864 176.870 0.155 0.000 1.032 449 L CA 0.175 55.000 54.840 -0.026 0.000 0.810 449 L CB 0.818 42.711 42.059 -0.277 0.000 1.205 449 L HN 0.600 nan 8.230 nan 0.000 0.422 450 R N 6.163 126.754 120.500 0.151 0.000 2.562 450 R HA 0.552 4.892 4.340 -0.000 0.000 0.298 450 R C -2.569 173.791 176.300 0.100 0.000 0.961 450 R CA -1.909 54.261 56.100 0.116 0.000 0.881 450 R CB 1.785 32.111 30.300 0.042 0.000 1.159 450 R HN 0.475 nan 8.270 nan 0.000 0.450 451 P HA 0.022 nan 4.420 nan 0.000 0.276 451 P C 0.388 177.605 177.300 -0.140 0.000 1.230 451 P CA -0.063 62.763 63.100 -0.457 0.000 0.776 451 P CB 1.183 32.307 31.700 -0.961 0.000 0.888 452 V N -0.288 119.624 119.914 -0.004 0.000 3.398 452 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 452 V C 0.783 176.892 176.094 0.025 0.000 1.496 452 V CA 0.223 62.531 62.300 0.013 0.000 1.044 452 V CB -0.123 31.720 31.823 0.033 0.000 0.880 452 V HN 0.510 nan 8.190 nan 0.000 0.443 453 G N 1.854 110.711 108.800 0.096 0.000 2.380 453 G HA2 0.430 4.390 3.960 -0.000 0.000 0.242 453 G HA3 0.430 4.390 3.960 -0.000 0.000 0.242 453 G C 0.035 174.952 174.900 0.028 0.000 1.298 453 G CA 0.510 45.682 45.100 0.120 0.000 0.878 453 G HN 1.128 nan 8.290 nan 0.000 0.542 454 V N 1.412 121.312 119.914 -0.024 0.000 2.881 454 V HA 0.773 4.893 4.120 -0.000 0.000 0.303 454 V C 0.964 177.157 176.094 0.166 0.000 1.070 454 V CA -0.341 61.986 62.300 0.045 0.000 1.074 454 V CB 0.933 32.775 31.823 0.032 0.000 1.012 454 V HN 0.862 nan 8.190 nan 0.000 0.482 455 G N 2.394 111.302 108.800 0.181 0.000 2.448 455 G HA2 0.527 4.487 3.960 -0.000 0.000 0.285 455 G HA3 0.527 4.487 3.960 -0.000 0.000 0.285 455 G C -0.853 174.163 174.900 0.192 0.000 1.176 455 G CA -0.791 44.409 45.100 0.166 0.000 0.852 455 G HN 0.973 nan 8.290 nan 0.000 0.530 456 L N 1.283 122.582 121.223 0.128 0.000 2.278 456 L HA 0.668 5.008 4.340 -0.000 0.000 0.287 456 L C 0.410 177.219 176.870 -0.101 0.000 1.072 456 L CA -0.199 54.640 54.840 -0.001 0.000 0.819 456 L CB 0.174 42.289 42.059 0.093 0.000 1.176 456 L HN 0.623 nan 8.230 nan 0.000 0.435 457 R N 2.366 122.707 120.500 -0.264 0.000 2.734 457 R HA 0.533 4.873 4.340 -0.000 0.000 0.271 457 R C -0.788 175.190 176.300 -0.538 0.000 1.021 457 R CA -0.728 55.169 56.100 -0.340 0.000 0.893 457 R CB 1.955 32.044 30.300 -0.352 0.000 1.244 457 R HN 0.616 nan 8.270 nan 0.000 0.464 458 S N 1.106 116.565 115.700 -0.402 0.000 2.564 458 S HA 0.257 4.727 4.470 -0.000 0.000 0.278 458 S C -0.554 173.712 174.600 -0.556 0.000 1.333 458 S CA -0.255 57.728 58.200 -0.363 0.000 1.048 458 S CB 0.233 63.321 63.200 -0.187 0.000 0.900 458 S HN 0.343 nan 8.310 nan 0.000 0.505 459 H N 0.000 118.988 119.070 -0.137 0.000 2.539 459 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 459 H CA 0.000 55.981 56.048 -0.111 0.000 1.023 459 H CB 0.000 29.654 29.762 -0.180 0.000 1.292 459 H HN 0.000 nan 8.280 nan 0.000 0.496