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 1kfy_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.337 176.300 0.062 0.000 1.140 0 M CA 0.000 55.322 55.300 0.037 0.000 0.988 0 M CB 0.000 32.617 32.600 0.028 0.000 1.302 1 Q N 0.720 120.555 119.800 0.058 0.000 3.503 1 Q HA 0.004 4.342 4.340 -0.004 0.000 0.125 1 Q C -1.986 174.077 176.000 0.106 0.000 0.970 1 Q CA 0.140 55.983 55.803 0.068 0.000 1.230 1 Q CB -0.023 28.793 28.738 0.129 0.000 1.640 1 Q HN 0.656 nan 8.270 nan 0.000 0.595 2 T N 2.758 117.330 114.554 0.030 0.000 2.906 2 T HA 0.878 5.226 4.350 -0.004 0.000 0.295 2 T C -1.404 173.290 174.700 -0.011 0.000 1.075 2 T CA -0.384 61.767 62.100 0.086 0.000 1.005 2 T CB 0.733 69.612 68.868 0.018 0.000 1.136 2 T HN 0.303 nan 8.240 nan 0.000 0.498 3 F N 1.240 121.203 119.950 0.021 0.000 2.578 3 F HA 0.569 5.095 4.527 -0.001 0.000 0.311 3 F C -0.055 175.756 175.800 0.017 0.000 1.094 3 F CA -0.998 57.032 58.000 0.050 0.000 0.923 3 F CB 2.261 41.328 39.000 0.112 0.000 1.230 3 F HN 0.291 nan 8.300 nan 0.000 0.450 4 Q N 2.258 122.170 119.800 0.188 0.000 2.278 4 Q HA 0.798 5.136 4.340 -0.004 0.000 0.257 4 Q C -1.381 174.691 176.000 0.119 0.000 0.928 4 Q CA -0.379 55.488 55.803 0.107 0.000 0.932 4 Q CB 1.527 30.301 28.738 0.060 0.000 1.221 4 Q HN 0.782 nan 8.270 nan 0.000 0.434 5 A N 3.689 126.551 122.820 0.071 0.000 2.574 5 A HA 0.493 4.811 4.320 -0.004 0.000 0.297 5 A C -0.515 177.083 177.584 0.023 0.000 1.062 5 A CA -0.668 51.401 52.037 0.053 0.000 0.686 5 A CB 1.246 20.264 19.000 0.031 0.000 1.285 5 A HN 0.720 nan 8.150 nan 0.000 0.403 6 D N 0.318 120.729 120.400 0.017 0.000 2.084 6 D HA 0.068 4.706 4.640 -0.004 0.000 0.199 6 D C 0.536 176.828 176.300 -0.014 0.000 0.981 6 D CA 1.820 55.822 54.000 0.003 0.000 0.841 6 D CB -0.109 40.691 40.800 -0.001 0.000 0.997 6 D HN 0.554 nan 8.370 nan 0.000 0.454 7 L N -0.345 120.860 121.223 -0.031 0.000 2.341 7 L HA 0.743 5.081 4.340 -0.004 0.000 0.278 7 L C -0.597 176.237 176.870 -0.061 0.000 1.005 7 L CA -1.281 53.521 54.840 -0.062 0.000 0.818 7 L CB 2.187 44.186 42.059 -0.099 0.000 1.259 7 L HN -0.207 nan 8.230 nan 0.000 0.418 8 A N 4.646 127.422 122.820 -0.073 0.000 2.258 8 A HA 0.750 5.068 4.320 -0.004 0.000 0.316 8 A C -0.446 177.091 177.584 -0.078 0.000 1.279 8 A CA -0.366 51.617 52.037 -0.090 0.000 0.876 8 A CB 0.427 19.361 19.000 -0.109 0.000 1.170 8 A HN 0.723 nan 8.150 nan 0.000 0.520 9 I N 3.555 124.087 120.570 -0.065 0.000 2.312 9 I HA 0.225 4.393 4.170 -0.004 0.000 0.290 9 I C -0.557 175.542 176.117 -0.031 0.000 1.008 9 I CA -0.685 60.590 61.300 -0.040 0.000 1.226 9 I CB 1.771 39.758 38.000 -0.022 0.000 1.371 9 I HN 0.297 nan 8.210 nan 0.000 0.468 10 V N 5.824 125.725 119.914 -0.023 0.000 2.368 10 V HA 0.691 4.809 4.120 -0.004 0.000 0.266 10 V C 0.536 176.627 176.094 -0.004 0.000 1.045 10 V CA -0.332 61.955 62.300 -0.021 0.000 0.899 10 V CB 0.415 32.228 31.823 -0.018 0.000 1.006 10 V HN 1.066 nan 8.190 nan 0.000 0.470 11 G N 4.044 112.845 108.800 0.001 0.000 3.400 11 G HA2 0.305 4.263 3.960 -0.004 0.000 0.679 11 G HA3 0.305 4.263 3.960 -0.004 0.000 0.679 11 G C -0.166 174.758 174.900 0.041 0.000 1.239 11 G CA -0.294 44.813 45.100 0.012 0.000 1.049 11 G HN 1.317 nan 8.290 nan 0.000 0.539 12 A N 1.621 124.471 122.820 0.050 0.000 2.610 12 A HA 0.755 5.073 4.320 -0.004 0.000 0.286 12 A C 1.524 179.163 177.584 0.090 0.000 1.306 12 A CA 1.195 53.282 52.037 0.083 0.000 0.942 12 A CB -0.202 18.858 19.000 0.100 0.000 1.112 12 A HN 2.059 nan 8.150 nan 0.000 0.527 13 G N -0.879 107.970 108.800 0.081 0.000 2.489 13 G HA2 0.372 4.330 3.960 -0.004 0.000 0.271 13 G HA3 0.372 4.330 3.960 -0.004 0.000 0.271 13 G C 1.194 176.165 174.900 0.118 0.000 1.427 13 G CA 0.124 45.280 45.100 0.094 0.000 1.057 13 G HN 0.487 nan 8.290 nan 0.000 0.532 14 G N -0.286 108.592 108.800 0.131 0.000 2.440 14 G HA2 0.009 3.967 3.960 -0.004 0.000 0.218 14 G HA3 0.009 3.967 3.960 -0.004 0.000 0.218 14 G C 1.947 176.941 174.900 0.156 0.000 1.154 14 G CA 1.983 47.175 45.100 0.153 0.000 0.767 14 G HN 0.895 nan 8.290 nan 0.000 0.552 15 A N 0.945 123.850 122.820 0.142 0.000 1.841 15 A HA 0.200 4.518 4.320 -0.004 0.000 0.214 15 A C 2.788 180.442 177.584 0.117 0.000 1.195 15 A CA 2.159 54.279 52.037 0.138 0.000 0.611 15 A CB -1.362 17.714 19.000 0.127 0.000 0.835 15 A HN 0.621 nan 8.150 nan 0.000 0.443 16 G N 0.034 108.892 108.800 0.097 0.000 2.574 16 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.220 16 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.220 16 G C 1.589 176.539 174.900 0.084 0.000 1.173 16 G CA 1.343 46.490 45.100 0.078 0.000 0.772 16 G HN 0.428 nan 8.290 nan 0.000 0.585 17 L N -0.231 121.059 121.223 0.112 0.000 2.012 17 L HA -0.086 4.252 4.340 -0.004 0.000 0.210 17 L C 2.932 179.873 176.870 0.118 0.000 1.073 17 L CA 1.538 56.450 54.840 0.121 0.000 0.748 17 L CB -0.383 41.773 42.059 0.162 0.000 0.891 17 L HN 0.182 nan 8.230 nan 0.000 0.431 18 R N 0.637 121.231 120.500 0.155 0.000 2.105 18 R HA -0.154 4.184 4.340 -0.004 0.000 0.239 18 R C 2.098 178.466 176.300 0.114 0.000 1.135 18 R CA 1.731 57.940 56.100 0.182 0.000 0.967 18 R CB -0.619 29.789 30.300 0.181 0.000 0.861 18 R HN 0.353 nan 8.270 nan 0.000 0.442 19 A N 0.186 123.053 122.820 0.078 0.000 1.855 19 A HA 0.043 4.361 4.320 -0.004 0.000 0.215 19 A C 2.404 179.980 177.584 -0.014 0.000 1.191 19 A CA 1.632 53.688 52.037 0.031 0.000 0.613 19 A CB -1.182 17.832 19.000 0.023 0.000 0.829 19 A HN 0.466 nan 8.150 nan 0.000 0.442 20 A N -0.064 122.749 122.820 -0.012 0.000 1.940 20 A HA -0.121 4.197 4.320 -0.004 0.000 0.219 20 A C 2.097 179.602 177.584 -0.132 0.000 1.176 20 A CA 1.658 53.665 52.037 -0.049 0.000 0.631 20 A CB -0.657 18.336 19.000 -0.011 0.000 0.814 20 A HN 0.531 nan 8.150 nan 0.000 0.446 21 I N -0.590 119.896 120.570 -0.140 0.000 2.286 21 I HA -0.197 3.971 4.170 -0.004 0.000 0.245 21 I C 2.905 178.856 176.117 -0.277 0.000 1.104 21 I CA 0.908 62.004 61.300 -0.340 0.000 1.397 21 I CB -0.368 37.529 38.000 -0.172 0.000 1.072 21 I HN 0.337 nan 8.210 nan 0.000 0.417 22 A N 0.887 123.661 122.820 -0.076 0.000 1.972 22 A HA -0.095 4.222 4.320 -0.004 0.000 0.219 22 A C 2.522 180.058 177.584 -0.081 0.000 1.169 22 A CA 1.713 53.728 52.037 -0.037 0.000 0.635 22 A CB -0.628 18.378 19.000 0.011 0.000 0.810 22 A HN 0.423 nan 8.150 nan 0.000 0.446 23 A N -0.336 122.421 122.820 -0.104 0.000 1.929 23 A HA 0.266 4.584 4.320 -0.004 0.000 0.216 23 A C 2.397 179.917 177.584 -0.107 0.000 1.176 23 A CA 1.731 53.711 52.037 -0.096 0.000 0.628 23 A CB -0.739 18.206 19.000 -0.092 0.000 0.816 23 A HN 0.968 nan 8.150 nan 0.000 0.444 24 A N -0.975 121.730 122.820 -0.191 0.000 2.016 24 A HA -0.054 4.264 4.320 -0.004 0.000 0.217 24 A C 2.033 179.526 177.584 -0.151 0.000 1.162 24 A CA 1.158 53.082 52.037 -0.188 0.000 0.662 24 A CB -0.302 18.498 19.000 -0.334 0.000 0.812 24 A HN 0.601 nan 8.150 nan 0.000 0.450 25 Q N -0.773 118.906 119.800 -0.201 0.000 2.331 25 Q HA 0.097 4.435 4.340 -0.004 0.000 0.203 25 Q C 2.268 178.269 176.000 0.001 0.000 0.944 25 Q CA 0.816 56.589 55.803 -0.049 0.000 0.892 25 Q CB -0.126 28.602 28.738 -0.017 0.000 0.983 25 Q HN 0.661 nan 8.270 nan 0.000 0.482 26 A N 1.911 124.718 122.820 -0.022 0.000 1.840 26 A HA -0.092 4.226 4.320 -0.004 0.000 0.214 26 A C 1.171 178.757 177.584 0.003 0.000 1.198 26 A CA 0.863 52.897 52.037 -0.004 0.000 0.608 26 A CB -0.201 18.789 19.000 -0.017 0.000 0.839 26 A HN 0.320 nan 8.150 nan 0.000 0.443 27 N N -0.208 118.490 118.700 -0.004 0.000 2.898 27 N HA 0.289 5.027 4.740 -0.004 0.000 0.245 27 N C -2.408 173.114 175.510 0.019 0.000 1.185 27 N CA -1.669 51.385 53.050 0.007 0.000 0.879 27 N CB 1.159 39.647 38.487 0.000 0.000 1.157 27 N HN -0.072 nan 8.380 nan 0.000 0.503 28 P HA -0.141 nan 4.420 nan 0.000 0.219 28 P C 0.349 177.678 177.300 0.049 0.000 1.144 28 P CA 1.151 64.285 63.100 0.056 0.000 0.806 28 P CB 0.200 31.935 31.700 0.058 0.000 0.771 29 N N -1.396 117.324 118.700 0.035 0.000 2.280 29 N HA 0.126 4.863 4.740 -0.004 0.000 0.192 29 N C 0.587 176.115 175.510 0.030 0.000 1.109 29 N CA 0.010 53.079 53.050 0.032 0.000 0.855 29 N CB 0.044 38.546 38.487 0.025 0.000 0.974 29 N HN 0.073 nan 8.380 nan 0.000 0.482 30 A N 1.017 123.853 122.820 0.027 0.000 2.448 30 A HA 0.140 4.458 4.320 -0.004 0.000 0.239 30 A C 0.678 178.283 177.584 0.034 0.000 1.080 30 A CA 0.231 52.280 52.037 0.021 0.000 0.779 30 A CB 0.516 19.518 19.000 0.004 0.000 1.026 30 A HN -0.058 nan 8.150 nan 0.000 0.499 31 K N 2.320 122.742 120.400 0.037 0.000 2.579 31 K HA 0.403 4.721 4.320 -0.004 0.000 0.225 31 K C -1.416 175.216 176.600 0.053 0.000 0.992 31 K CA -0.063 56.259 56.287 0.060 0.000 1.018 31 K CB 0.196 32.739 32.500 0.072 0.000 1.249 31 K HN 0.631 nan 8.250 nan 0.000 0.489 32 I N 2.534 123.135 120.570 0.051 0.000 2.315 32 I HA 0.274 4.442 4.170 -0.004 0.000 0.291 32 I C 0.455 176.612 176.117 0.067 0.000 1.006 32 I CA -0.782 60.538 61.300 0.032 0.000 1.265 32 I CB 1.684 39.689 38.000 0.008 0.000 1.387 32 I HN 0.426 nan 8.210 nan 0.000 0.475 33 A N 7.561 130.398 122.820 0.027 0.000 2.621 33 A HA 0.444 4.762 4.320 -0.004 0.000 0.329 33 A C -0.493 177.086 177.584 -0.007 0.000 1.458 33 A CA -0.454 51.594 52.037 0.019 0.000 1.052 33 A CB 0.059 18.920 19.000 -0.232 0.000 1.142 33 A HN 0.615 nan 8.150 nan 0.000 0.523 34 L N 4.643 125.929 121.223 0.105 0.000 2.342 34 L HA 0.514 4.852 4.340 -0.004 0.000 0.285 34 L C -0.219 176.729 176.870 0.130 0.000 1.095 34 L CA -0.057 54.835 54.840 0.087 0.000 0.843 34 L CB 0.036 42.158 42.059 0.104 0.000 1.201 34 L HN 0.624 nan 8.230 nan 0.000 0.445 35 I N 4.124 124.724 120.570 0.049 0.000 2.750 35 I HA 0.773 4.941 4.170 -0.004 0.000 0.308 35 I C -0.693 175.452 176.117 0.046 0.000 1.016 35 I CA -0.158 61.188 61.300 0.077 0.000 1.098 35 I CB 1.916 39.897 38.000 -0.032 0.000 1.279 35 I HN 0.731 nan 8.210 nan 0.000 0.454 36 S N 4.716 120.445 115.700 0.049 0.000 2.556 36 S HA 0.241 4.709 4.470 -0.004 0.000 0.280 36 S C -0.114 174.459 174.600 -0.044 0.000 1.141 36 S CA -0.659 57.535 58.200 -0.011 0.000 0.883 36 S CB 1.385 64.585 63.200 0.001 0.000 1.103 36 S HN 0.876 nan 8.310 nan 0.000 0.453 37 K N 1.828 122.167 120.400 -0.102 0.000 2.525 37 K HA 0.240 4.558 4.320 -0.004 0.000 0.192 37 K C 0.570 177.125 176.600 -0.075 0.000 1.029 37 K CA 0.721 56.936 56.287 -0.120 0.000 1.029 37 K CB -0.343 31.982 32.500 -0.292 0.000 0.814 37 K HN 0.811 nan 8.250 nan 0.000 0.503 38 V N -2.492 117.381 119.914 -0.068 0.000 2.971 38 V HA 0.386 4.504 4.120 -0.004 0.000 0.309 38 V C -0.918 175.140 176.094 -0.060 0.000 1.130 38 V CA -1.528 60.760 62.300 -0.020 0.000 0.964 38 V CB 0.832 32.680 31.823 0.043 0.000 1.029 38 V HN 0.066 nan 8.190 nan 0.000 0.427 39 Y N 3.682 123.972 120.300 -0.017 0.000 2.811 39 Y HA 0.177 4.725 4.550 -0.003 0.000 0.334 39 Y C -1.169 174.640 175.900 -0.151 0.000 1.247 39 Y CA -0.030 58.022 58.100 -0.082 0.000 1.526 39 Y CB 0.245 38.636 38.460 -0.114 0.000 1.284 39 Y HN 0.543 nan 8.280 nan 0.000 0.586 40 P HA -0.359 nan 4.420 nan 0.000 0.222 40 P C 1.633 178.800 177.300 -0.222 0.000 1.155 40 P CA 2.451 65.475 63.100 -0.127 0.000 0.890 40 P CB -0.034 31.627 31.700 -0.065 0.000 0.790 41 M N -2.948 116.382 119.600 -0.450 0.000 2.630 41 M HA 0.019 4.496 4.480 -0.004 0.000 0.254 41 M C 0.856 177.144 176.300 -0.020 0.000 1.092 41 M CA 1.722 56.852 55.300 -0.284 0.000 1.087 41 M CB -0.643 31.665 32.600 -0.486 0.000 1.453 41 M HN -0.136 nan 8.290 nan 0.000 0.509 42 R N 1.845 122.342 120.500 -0.006 0.000 2.317 42 R HA 0.224 4.562 4.340 -0.004 0.000 0.208 42 R C 0.827 177.164 176.300 0.063 0.000 0.914 42 R CA 0.437 56.571 56.100 0.058 0.000 1.060 42 R CB -0.658 29.692 30.300 0.084 0.000 1.015 42 R HN 0.640 nan 8.270 nan 0.000 0.498 43 S N -0.353 115.376 115.700 0.048 0.000 2.589 43 S HA -0.036 4.432 4.470 -0.004 0.000 0.265 43 S C 1.084 175.738 174.600 0.090 0.000 1.342 43 S CA -0.256 57.986 58.200 0.069 0.000 1.005 43 S CB 0.926 64.164 63.200 0.062 0.000 0.909 43 S HN 0.346 nan 8.310 nan 0.000 0.555 44 H N 1.207 120.299 119.070 0.037 0.000 2.518 44 H HA 0.012 4.566 4.556 -0.004 0.000 0.289 44 H C 1.668 177.035 175.328 0.064 0.000 1.051 44 H CA 1.978 58.051 56.048 0.042 0.000 1.280 44 H CB -0.628 29.144 29.762 0.015 0.000 1.380 44 H HN 0.753 nan 8.280 nan 0.000 0.566 45 T N -1.041 113.547 114.554 0.056 0.000 2.929 45 T HA -0.140 4.208 4.350 -0.004 0.000 0.271 45 T C 2.156 176.864 174.700 0.012 0.000 1.085 45 T CA 0.970 63.102 62.100 0.054 0.000 1.125 45 T CB -0.409 68.522 68.868 0.105 0.000 0.874 45 T HN 0.245 nan 8.240 nan 0.000 0.494 46 V N 1.466 121.380 119.914 -0.000 0.000 2.594 46 V HA -0.063 4.054 4.120 -0.004 0.000 0.253 46 V C 2.445 178.562 176.094 0.039 0.000 1.069 46 V CA 1.720 64.054 62.300 0.057 0.000 1.082 46 V CB -0.758 31.130 31.823 0.109 0.000 0.680 46 V HN 0.522 nan 8.190 nan 0.000 0.469 47 A N -0.198 122.540 122.820 -0.137 0.000 2.206 47 A HA 0.496 4.814 4.320 -0.004 0.000 0.211 47 A C 1.370 178.909 177.584 -0.076 0.000 1.158 47 A CA 0.701 52.648 52.037 -0.149 0.000 0.761 47 A CB -0.599 18.179 19.000 -0.369 0.000 0.801 47 A HN 0.811 nan 8.150 nan 0.000 0.473 48 A N 0.093 122.900 122.820 -0.021 0.000 2.520 48 A HA 0.355 4.673 4.320 -0.004 0.000 0.245 48 A C 0.661 178.283 177.584 0.064 0.000 1.072 48 A CA 0.376 52.440 52.037 0.045 0.000 0.761 48 A CB 0.077 19.129 19.000 0.086 0.000 1.004 48 A HN 0.542 nan 8.150 nan 0.000 0.499 49 E N 1.890 122.115 120.200 0.043 0.000 2.421 49 E HA 0.082 4.430 4.350 -0.004 0.000 0.209 49 E C 1.907 178.543 176.600 0.061 0.000 0.871 49 E CA 0.531 56.967 56.400 0.061 0.000 1.064 49 E CB 0.344 30.038 29.700 -0.010 0.000 1.075 49 E HN 0.810 nan 8.360 nan 0.000 0.513 50 G N 1.278 110.058 108.800 -0.034 0.000 2.556 50 G HA2 0.222 4.179 3.960 -0.004 0.000 0.215 50 G HA3 0.222 4.179 3.960 -0.004 0.000 0.215 50 G C 0.720 175.325 174.900 -0.492 0.000 1.258 50 G CA 0.854 45.715 45.100 -0.397 0.000 0.811 50 G HN 0.437 nan 8.290 nan 0.000 0.557 51 G N -2.225 106.408 108.800 -0.278 0.000 2.333 51 G HA2 0.423 4.381 3.960 -0.004 0.000 0.288 51 G HA3 0.423 4.381 3.960 -0.004 0.000 0.288 51 G C -1.440 173.484 174.900 0.040 0.000 1.286 51 G CA 0.504 45.586 45.100 -0.031 0.000 0.865 51 G HN 0.866 nan 8.290 nan 0.000 0.506 52 S N -0.900 114.880 115.700 0.134 0.000 2.614 52 S HA 0.752 5.220 4.470 -0.004 0.000 0.288 52 S C 0.215 174.816 174.600 0.000 0.000 1.137 52 S CA 0.498 58.755 58.200 0.094 0.000 0.992 52 S CB 0.933 64.236 63.200 0.172 0.000 1.026 52 S HN 1.903 nan 8.310 nan 0.000 0.486 53 A N 3.050 125.860 122.820 -0.016 0.000 2.351 53 A HA 0.875 5.193 4.320 -0.004 0.000 0.257 53 A C 0.164 177.573 177.584 -0.292 0.000 1.087 53 A CA 0.017 51.983 52.037 -0.118 0.000 0.798 53 A CB 0.396 19.313 19.000 -0.139 0.000 1.033 53 A HN 1.723 nan 8.150 nan 0.000 0.488 54 A N 1.409 124.001 122.820 -0.379 0.000 2.528 54 A HA 0.489 4.807 4.320 -0.004 0.000 0.306 54 A C -0.613 176.801 177.584 -0.284 0.000 1.042 54 A CA -0.586 51.156 52.037 -0.491 0.000 0.950 54 A CB -0.100 18.316 19.000 -0.973 0.000 1.374 54 A HN 1.594 nan 8.150 nan 0.000 0.387 55 V N 1.673 121.417 119.914 -0.284 0.000 2.678 55 V HA 0.223 4.341 4.120 -0.004 0.000 0.304 55 V C 1.301 177.318 176.094 -0.128 0.000 1.086 55 V CA 1.591 63.742 62.300 -0.249 0.000 1.246 55 V CB 0.092 31.643 31.823 -0.453 0.000 0.861 55 V HN 1.535 nan 8.190 nan 0.000 0.491 56 A N 3.855 126.660 122.820 -0.025 0.000 2.008 56 A HA 0.256 4.574 4.320 -0.004 0.000 0.201 56 A C 0.871 178.436 177.584 -0.032 0.000 1.794 56 A CA -0.168 51.913 52.037 0.074 0.000 0.952 56 A CB -0.136 18.985 19.000 0.202 0.000 1.147 56 A HN 0.701 nan 8.150 nan 0.000 0.589 57 Q N 0.827 120.573 119.800 -0.090 0.000 2.392 57 Q HA 0.127 4.465 4.340 -0.004 0.000 0.262 57 Q C -0.035 175.885 176.000 -0.133 0.000 1.003 57 Q CA 0.086 55.827 55.803 -0.104 0.000 0.888 57 Q CB 0.848 29.469 28.738 -0.194 0.000 1.260 57 Q HN 0.478 nan 8.270 nan 0.000 0.435 58 D N 0.680 121.061 120.400 -0.032 0.000 2.269 58 D HA -0.124 4.514 4.640 -0.004 0.000 0.208 58 D C 0.954 177.272 176.300 0.031 0.000 0.963 58 D CA 0.723 54.721 54.000 -0.004 0.000 0.864 58 D CB 0.219 41.045 40.800 0.042 0.000 0.936 58 D HN 0.681 nan 8.370 nan 0.000 0.505 59 H N -1.273 117.825 119.070 0.047 0.000 2.682 59 H HA 0.286 4.840 4.556 -0.003 0.000 0.293 59 H C -0.332 175.060 175.328 0.108 0.000 1.080 59 H CA -0.330 55.760 56.048 0.070 0.000 1.189 59 H CB -0.219 29.564 29.762 0.034 0.000 1.311 59 H HN -0.139 nan 8.280 nan 0.000 0.599 60 D N 0.050 120.381 120.400 -0.114 0.000 2.585 60 D HA 0.497 5.135 4.640 -0.004 0.000 0.254 60 D C -0.855 175.548 176.300 0.172 0.000 1.067 60 D CA -0.379 53.651 54.000 0.051 0.000 1.090 60 D CB 2.086 42.789 40.800 -0.162 0.000 1.408 60 D HN 0.306 nan 8.370 nan 0.000 0.554 61 S N -0.435 115.394 115.700 0.216 0.000 2.543 61 S HA 0.295 4.763 4.470 -0.004 0.000 0.274 61 S C 0.210 174.800 174.600 -0.016 0.000 1.149 61 S CA -0.704 57.479 58.200 -0.027 0.000 0.866 61 S CB 0.190 63.254 63.200 -0.227 0.000 1.111 61 S HN 0.250 nan 8.310 nan 0.000 0.457 62 F N 1.169 121.065 119.950 -0.091 0.000 2.236 62 F HA 0.029 4.554 4.527 -0.004 0.000 0.302 62 F C 2.507 178.257 175.800 -0.084 0.000 1.073 62 F CA 1.406 59.310 58.000 -0.160 0.000 1.336 62 F CB -0.562 38.138 39.000 -0.501 0.000 1.040 62 F HN 0.739 nan 8.300 nan 0.000 0.507 63 E N -0.018 120.238 120.200 0.094 0.000 2.051 63 E HA -0.201 4.146 4.350 -0.004 0.000 0.192 63 E C 2.071 178.784 176.600 0.187 0.000 0.991 63 E CA 1.584 58.025 56.400 0.069 0.000 0.799 63 E CB -0.594 29.026 29.700 -0.133 0.000 0.748 63 E HN 0.410 nan 8.360 nan 0.000 0.449 64 Y N 0.049 120.466 120.300 0.196 0.000 2.097 64 Y HA -0.201 4.347 4.550 -0.003 0.000 0.282 64 Y C 2.647 178.699 175.900 0.254 0.000 1.152 64 Y CA 1.887 60.098 58.100 0.185 0.000 1.136 64 Y CB -1.250 37.272 38.460 0.103 0.000 0.975 64 Y HN 0.392 nan 8.280 nan 0.000 0.498 65 H N -1.411 117.818 119.070 0.265 0.000 2.456 65 H HA -0.207 4.347 4.556 -0.004 0.000 0.296 65 H C 2.092 177.556 175.328 0.228 0.000 1.079 65 H CA 1.000 57.155 56.048 0.179 0.000 1.322 65 H CB -0.244 29.565 29.762 0.079 0.000 1.388 65 H HN 0.314 nan 8.280 nan 0.000 0.538 66 F N 0.893 120.897 119.950 0.090 0.000 2.113 66 F HA -0.165 4.360 4.527 -0.004 0.000 0.297 66 F C 2.595 178.428 175.800 0.056 0.000 1.103 66 F CA 2.009 60.017 58.000 0.013 0.000 1.248 66 F CB -0.865 38.157 39.000 0.037 0.000 0.999 66 F HN 0.213 nan 8.300 nan 0.000 0.475 67 H N 0.174 119.260 119.070 0.026 0.000 2.319 67 H HA -0.141 4.413 4.556 -0.004 0.000 0.299 67 H C 1.919 177.159 175.328 -0.147 0.000 1.092 67 H CA 2.412 58.403 56.048 -0.094 0.000 1.302 67 H CB -0.607 29.217 29.762 0.103 0.000 1.373 67 H HN 0.193 nan 8.280 nan 0.000 0.497 68 D N -0.856 119.552 120.400 0.013 0.000 2.149 68 D HA -0.130 4.508 4.640 -0.004 0.000 0.198 68 D C 2.081 178.292 176.300 -0.149 0.000 0.990 68 D CA 1.839 55.806 54.000 -0.055 0.000 0.839 68 D CB -0.578 40.292 40.800 0.118 0.000 0.948 68 D HN 0.479 nan 8.370 nan 0.000 0.460 69 T N 0.299 114.776 114.554 -0.127 0.000 2.737 69 T HA -0.078 4.269 4.350 -0.004 0.000 0.265 69 T C 2.292 176.772 174.700 -0.367 0.000 1.038 69 T CA 0.865 62.860 62.100 -0.176 0.000 1.144 69 T CB -0.392 68.394 68.868 -0.137 0.000 0.866 69 T HN -0.011 nan 8.240 nan 0.000 0.434 70 V N 1.911 121.475 119.914 -0.584 0.000 2.270 70 V HA -0.127 3.991 4.120 -0.004 0.000 0.245 70 V C 2.978 178.415 176.094 -1.095 0.000 1.043 70 V CA 1.615 63.403 62.300 -0.855 0.000 1.014 70 V CB -1.416 29.780 31.823 -1.045 0.000 0.645 70 V HN 0.531 nan 8.190 nan 0.000 0.447 71 A N 0.947 123.119 122.820 -1.080 0.000 1.859 71 A HA -0.189 4.129 4.320 -0.004 0.000 0.217 71 A C 2.444 179.730 177.584 -0.497 0.000 1.198 71 A CA 2.333 53.815 52.037 -0.925 0.000 0.629 71 A CB -1.544 17.067 19.000 -0.650 0.000 0.830 71 A HN 0.558 nan 8.150 nan 0.000 0.446 72 G N -1.140 107.448 108.800 -0.354 0.000 2.462 72 G HA2 0.052 4.010 3.960 -0.004 0.000 0.220 72 G HA3 0.052 4.010 3.960 -0.004 0.000 0.220 72 G C 1.285 176.056 174.900 -0.216 0.000 1.121 72 G CA 1.213 46.183 45.100 -0.216 0.000 0.758 72 G HN 0.869 nan 8.290 nan 0.000 0.559 73 G N -0.673 107.950 108.800 -0.294 0.000 2.985 73 G HA2 0.230 4.188 3.960 -0.004 0.000 0.209 73 G HA3 0.230 4.188 3.960 -0.004 0.000 0.209 73 G C 0.348 175.103 174.900 -0.242 0.000 1.165 73 G CA 0.539 45.484 45.100 -0.259 0.000 0.776 73 G HN 0.232 nan 8.290 nan 0.000 0.541 74 D N -1.055 119.217 120.400 -0.214 0.000 2.699 74 D HA -0.156 4.482 4.640 -0.004 0.000 0.239 74 D C 0.594 176.989 176.300 0.157 0.000 1.136 74 D CA 0.611 54.620 54.000 0.016 0.000 0.668 74 D CB -1.385 39.418 40.800 0.004 0.000 1.060 74 D HN 0.506 nan 8.370 nan 0.000 0.429 75 W N -1.716 119.514 121.300 -0.117 0.000 4.310 75 W HA -0.319 4.339 4.660 -0.004 0.000 0.320 75 W C 0.928 177.389 176.519 -0.097 0.000 1.168 75 W CA 0.390 57.676 57.345 -0.098 0.000 0.757 75 W CB -1.784 27.635 29.460 -0.069 0.000 2.221 75 W HN 0.360 nan 8.180 nan 0.000 1.517 76 L N -0.088 121.125 121.223 -0.018 0.000 2.685 76 L HA 0.100 4.438 4.340 -0.004 0.000 0.233 76 L C 0.902 177.777 176.870 0.008 0.000 1.173 76 L CA 0.197 54.998 54.840 -0.064 0.000 0.961 76 L CB -0.127 41.861 42.059 -0.119 0.000 1.217 76 L HN -0.121 nan 8.230 nan 0.000 0.478 77 C N 0.570 119.848 119.300 -0.038 0.000 2.330 77 C HA 0.199 4.657 4.460 -0.004 0.000 0.344 77 C C 0.985 176.003 174.990 0.046 0.000 1.273 77 C CA -1.070 57.929 59.018 -0.032 0.000 1.879 77 C CB 0.654 28.289 27.740 -0.176 0.000 2.376 77 C HN 0.245 nan 8.230 nan 0.000 0.534 78 E N 2.382 122.640 120.200 0.096 0.000 1.858 78 E HA -0.023 4.325 4.350 -0.004 0.000 0.278 78 E C 1.194 177.868 176.600 0.124 0.000 1.172 78 E CA 0.313 56.789 56.400 0.127 0.000 1.127 78 E CB 0.062 29.821 29.700 0.099 0.000 1.084 78 E HN 0.711 nan 8.360 nan 0.000 0.455 79 Q N 0.978 120.861 119.800 0.139 0.000 2.294 79 Q HA -0.266 4.072 4.340 -0.004 0.000 0.215 79 Q C 1.541 177.755 176.000 0.357 0.000 1.000 79 Q CA 2.056 58.010 55.803 0.251 0.000 0.916 79 Q CB 0.094 29.000 28.738 0.280 0.000 0.932 79 Q HN 0.537 nan 8.270 nan 0.000 0.420 80 D N -0.493 120.046 120.400 0.232 0.000 2.117 80 D HA -0.133 4.505 4.640 -0.004 0.000 0.198 80 D C 1.802 178.243 176.300 0.235 0.000 0.982 80 D CA 1.343 55.458 54.000 0.192 0.000 0.828 80 D CB -0.532 40.340 40.800 0.120 0.000 0.967 80 D HN 0.187 nan 8.370 nan 0.000 0.464 81 V N 1.141 121.193 119.914 0.230 0.000 2.295 81 V HA -0.227 3.891 4.120 -0.004 0.000 0.246 81 V C 3.024 179.362 176.094 0.408 0.000 1.049 81 V CA 1.474 63.956 62.300 0.303 0.000 1.024 81 V CB -0.594 31.316 31.823 0.145 0.000 0.648 81 V HN 0.105 nan 8.190 nan 0.000 0.447 82 V N 0.762 120.870 119.914 0.323 0.000 2.469 82 V HA -0.317 3.801 4.120 -0.004 0.000 0.251 82 V C 2.302 178.716 176.094 0.532 0.000 1.064 82 V CA 2.414 64.949 62.300 0.393 0.000 1.066 82 V CB -0.794 31.198 31.823 0.282 0.000 0.667 82 V HN 0.682 nan 8.190 nan 0.000 0.461 83 D N -0.811 119.858 120.400 0.449 0.000 2.097 83 D HA -0.259 4.379 4.640 -0.004 0.000 0.195 83 D C 2.044 178.545 176.300 0.335 0.000 0.989 83 D CA 1.485 55.574 54.000 0.149 0.000 0.827 83 D CB -0.240 40.564 40.800 0.007 0.000 0.966 83 D HN 0.507 nan 8.370 nan 0.000 0.456 84 Y N -0.134 120.307 120.300 0.235 0.000 2.181 84 Y HA -0.137 4.411 4.550 -0.003 0.000 0.288 84 Y C 1.818 177.870 175.900 0.253 0.000 1.146 84 Y CA 1.441 59.645 58.100 0.173 0.000 1.164 84 Y CB -0.853 37.621 38.460 0.023 0.000 0.982 84 Y HN 0.088 nan 8.280 nan 0.000 0.515 85 F N 0.813 120.881 119.950 0.196 0.000 2.010 85 F HA -0.244 4.280 4.527 -0.004 0.000 0.296 85 F C 2.617 178.460 175.800 0.072 0.000 1.146 85 F CA 2.775 60.883 58.000 0.180 0.000 1.181 85 F CB -1.289 37.910 39.000 0.332 0.000 0.965 85 F HN -0.044 nan 8.300 nan 0.000 0.480 86 V N -0.999 118.818 119.914 -0.162 0.000 2.546 86 V HA -0.308 3.810 4.120 -0.004 0.000 0.254 86 V C 2.323 178.401 176.094 -0.027 0.000 1.076 86 V CA 2.466 64.603 62.300 -0.271 0.000 1.087 86 V CB -1.267 30.474 31.823 -0.138 0.000 0.674 86 V HN 0.532 nan 8.190 nan 0.000 0.470 87 H N -0.346 118.802 119.070 0.130 0.000 2.502 87 H HA 0.091 4.645 4.556 -0.004 0.000 0.283 87 H C 1.384 176.728 175.328 0.026 0.000 1.015 87 H CA 1.763 57.913 56.048 0.170 0.000 1.298 87 H CB 0.036 29.785 29.762 -0.022 0.000 1.411 87 H HN 0.650 nan 8.280 nan 0.000 0.556 88 H N -1.760 117.205 119.070 -0.175 0.000 2.592 88 H HA 0.146 4.700 4.556 -0.004 0.000 0.279 88 H C 1.705 176.845 175.328 -0.315 0.000 1.089 88 H CA -0.316 55.564 56.048 -0.281 0.000 1.150 88 H CB 0.251 29.692 29.762 -0.535 0.000 1.575 88 H HN 0.165 nan 8.280 nan 0.000 0.547 89 C N 1.245 120.376 119.300 -0.281 0.000 2.587 89 C HA -0.036 4.422 4.460 -0.004 0.000 0.282 89 C C 0.043 174.778 174.990 -0.426 0.000 1.277 89 C CA 0.744 59.526 59.018 -0.394 0.000 1.702 89 C CB -0.699 26.742 27.740 -0.498 0.000 2.113 89 C HN 0.485 nan 8.230 nan 0.000 0.490 90 P HA -0.147 nan 4.420 nan 0.000 0.217 90 P C 1.202 178.271 177.300 -0.385 0.000 1.148 90 P CA 2.026 64.847 63.100 -0.464 0.000 0.834 90 P CB -0.361 31.164 31.700 -0.292 0.000 0.783 91 T N 0.141 114.531 114.554 -0.274 0.000 2.668 91 T HA -0.096 4.252 4.350 -0.004 0.000 0.262 91 T C 1.742 176.293 174.700 -0.247 0.000 1.045 91 T CA 1.308 63.277 62.100 -0.219 0.000 1.152 91 T CB -0.500 68.251 68.868 -0.195 0.000 0.864 91 T HN 0.125 nan 8.240 nan 0.000 0.419 92 E N 0.788 120.840 120.200 -0.247 0.000 2.118 92 E HA -0.064 4.284 4.350 -0.004 0.000 0.195 92 E C 2.069 178.521 176.600 -0.247 0.000 0.992 92 E CA 1.057 57.321 56.400 -0.225 0.000 0.804 92 E CB -0.375 29.240 29.700 -0.142 0.000 0.741 92 E HN 0.351 nan 8.360 nan 0.000 0.458 93 M N -0.054 119.282 119.600 -0.440 0.000 2.132 93 M HA -0.068 4.410 4.480 -0.004 0.000 0.263 93 M C 2.182 178.332 176.300 -0.249 0.000 1.065 93 M CA 1.403 56.375 55.300 -0.547 0.000 1.122 93 M CB -0.759 30.886 32.600 -1.592 0.000 1.365 93 M HN -0.033 nan 8.290 nan 0.000 0.411 94 T N -0.538 113.826 114.554 -0.317 0.000 2.788 94 T HA -0.198 4.150 4.350 -0.004 0.000 0.268 94 T C 1.727 176.430 174.700 0.004 0.000 1.044 94 T CA 1.542 63.655 62.100 0.022 0.000 1.139 94 T CB -0.210 68.651 68.868 -0.012 0.000 0.867 94 T HN 0.324 nan 8.240 nan 0.000 0.454 95 Q N 0.918 120.621 119.800 -0.162 0.000 2.084 95 Q HA 0.020 4.358 4.340 -0.004 0.000 0.202 95 Q C 2.055 177.799 176.000 -0.427 0.000 0.978 95 Q CA 1.450 57.033 55.803 -0.367 0.000 0.844 95 Q CB -0.711 27.700 28.738 -0.544 0.000 0.898 95 Q HN 0.504 nan 8.270 nan 0.000 0.426 96 L N 0.334 121.477 121.223 -0.134 0.000 2.093 96 L HA -0.136 4.202 4.340 -0.004 0.000 0.208 96 L C 2.557 179.584 176.870 0.262 0.000 1.085 96 L CA 1.406 56.313 54.840 0.111 0.000 0.755 96 L CB -0.547 41.726 42.059 0.357 0.000 0.904 96 L HN 0.385 nan 8.230 nan 0.000 0.435 97 E N 0.846 121.307 120.200 0.435 0.000 2.110 97 E HA -0.211 4.137 4.350 -0.004 0.000 0.193 97 E C 2.219 178.948 176.600 0.215 0.000 0.988 97 E CA 1.262 57.904 56.400 0.403 0.000 0.804 97 E CB -0.035 29.974 29.700 0.515 0.000 0.745 97 E HN 0.510 nan 8.360 nan 0.000 0.458 98 L N -0.901 120.413 121.223 0.152 0.000 2.141 98 L HA -0.119 4.219 4.340 -0.004 0.000 0.209 98 L C 1.941 178.992 176.870 0.302 0.000 1.094 98 L CA 0.588 55.521 54.840 0.155 0.000 0.763 98 L CB -0.424 41.681 42.059 0.077 0.000 0.908 98 L HN 0.170 nan 8.230 nan 0.000 0.437 99 W N 0.329 121.686 121.300 0.095 0.000 3.292 99 W HA 0.285 4.943 4.660 -0.004 0.000 0.263 99 W C 1.595 178.133 176.519 0.032 0.000 1.318 99 W CA 0.566 57.951 57.345 0.067 0.000 1.663 99 W CB -0.779 28.731 29.460 0.084 0.000 1.114 99 W HN 0.346 nan 8.180 nan 0.000 0.706 100 G N -0.343 108.588 108.800 0.218 0.000 2.313 100 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.215 100 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.215 100 G C 0.548 175.436 174.900 -0.020 0.000 1.023 100 G CA -0.327 44.826 45.100 0.089 0.000 0.626 100 G HN 0.177 nan 8.290 nan 0.000 0.503 101 C N 5.044 124.305 119.300 -0.064 0.000 2.155 101 C HA 0.373 4.831 4.460 -0.004 0.000 0.396 101 C C -0.997 173.704 174.990 -0.481 0.000 1.545 101 C CA 0.111 58.923 59.018 -0.344 0.000 1.442 101 C CB -0.044 27.362 27.740 -0.557 0.000 2.553 101 C HN 0.439 nan 8.230 nan 0.000 0.598 102 P HA 0.154 nan 4.420 nan 0.000 0.241 102 P C -0.741 176.321 177.300 -0.397 0.000 1.780 102 P CA -0.092 62.769 63.100 -0.398 0.000 1.111 102 P CB -0.270 31.198 31.700 -0.387 0.000 1.852 103 W N 1.443 122.668 121.300 -0.125 0.000 2.158 103 W HA 0.125 4.782 4.660 -0.004 0.000 0.339 103 W C 0.885 177.223 176.519 -0.303 0.000 1.294 103 W CA -0.077 57.156 57.345 -0.186 0.000 1.231 103 W CB 0.155 29.514 29.460 -0.168 0.000 1.143 103 W HN 0.199 nan 8.180 nan 0.000 0.571 104 S N 3.141 118.688 115.700 -0.255 0.000 2.573 104 S HA 0.329 4.797 4.470 -0.004 0.000 0.277 104 S C 0.207 174.618 174.600 -0.315 0.000 1.346 104 S CA -0.648 57.334 58.200 -0.363 0.000 1.034 104 S CB 0.432 63.236 63.200 -0.661 0.000 0.879 104 S HN 0.252 nan 8.310 nan 0.000 0.528 105 R N 1.058 121.447 120.500 -0.185 0.000 2.892 105 R HA 0.494 4.832 4.340 -0.004 0.000 0.265 105 R C -0.047 176.206 176.300 -0.079 0.000 1.025 105 R CA -0.848 55.172 56.100 -0.134 0.000 0.982 105 R CB 0.792 31.041 30.300 -0.086 0.000 1.185 105 R HN 0.587 nan 8.270 nan 0.000 0.484 106 R N 0.852 121.312 120.500 -0.067 0.000 2.577 106 R HA 0.205 4.543 4.340 -0.004 0.000 0.269 106 R C -1.395 174.891 176.300 -0.024 0.000 1.084 106 R CA -1.595 54.488 56.100 -0.029 0.000 1.163 106 R CB 0.140 30.420 30.300 -0.033 0.000 1.100 106 R HN 0.243 nan 8.270 nan 0.000 0.547 107 P HA -0.190 nan 4.420 nan 0.000 0.216 107 P C 0.206 177.499 177.300 -0.012 0.000 1.150 107 P CA 1.357 64.453 63.100 -0.007 0.000 0.843 107 P CB 0.043 31.742 31.700 -0.000 0.000 0.787 108 D N -1.853 118.539 120.400 -0.014 0.000 2.338 108 D HA 0.016 4.654 4.640 -0.004 0.000 0.239 108 D C 1.264 177.552 176.300 -0.019 0.000 1.095 108 D CA 0.789 54.780 54.000 -0.014 0.000 0.888 108 D CB -0.668 40.126 40.800 -0.011 0.000 0.899 108 D HN 0.246 nan 8.370 nan 0.000 0.525 109 G N 0.986 109.770 108.800 -0.027 0.000 2.179 109 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.260 109 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.260 109 G C 0.459 175.331 174.900 -0.047 0.000 0.977 109 G CA 0.447 45.529 45.100 -0.031 0.000 0.641 109 G HN 0.650 nan 8.290 nan 0.000 0.533 110 S N -0.568 115.095 115.700 -0.061 0.000 2.632 110 S HA 0.705 5.173 4.470 -0.004 0.000 0.267 110 S C 0.510 175.017 174.600 -0.155 0.000 1.276 110 S CA -0.319 57.824 58.200 -0.095 0.000 0.998 110 S CB 2.321 65.469 63.200 -0.086 0.000 0.953 110 S HN 1.015 nan 8.310 nan 0.000 0.547 111 V N 2.293 122.046 119.914 -0.267 0.000 2.686 111 V HA 0.247 4.365 4.120 -0.004 0.000 0.295 111 V C 0.610 176.468 176.094 -0.394 0.000 1.055 111 V CA -0.616 61.436 62.300 -0.414 0.000 1.050 111 V CB 0.300 31.615 31.823 -0.845 0.000 0.984 111 V HN 0.878 nan 8.190 nan 0.000 0.482 112 N N 2.143 120.661 118.700 -0.304 0.000 2.489 112 N HA 0.697 5.435 4.740 -0.004 0.000 0.284 112 N C -0.872 174.722 175.510 0.139 0.000 1.158 112 N CA -0.393 52.616 53.050 -0.069 0.000 0.965 112 N CB 1.859 40.401 38.487 0.092 0.000 1.195 112 N HN 0.641 nan 8.380 nan 0.000 0.506 113 V N -0.782 119.295 119.914 0.273 0.000 3.007 113 V HA 0.796 4.913 4.120 -0.004 0.000 0.311 113 V C -0.592 175.519 176.094 0.027 0.000 1.120 113 V CA -1.017 61.420 62.300 0.229 0.000 0.980 113 V CB 1.838 33.673 31.823 0.020 0.000 1.033 113 V HN 0.884 nan 8.190 nan 0.000 0.429 114 R N 1.814 122.207 120.500 -0.179 0.000 2.869 114 R HA 0.701 5.039 4.340 -0.004 0.000 0.263 114 R C -0.770 175.528 176.300 -0.004 0.000 1.066 114 R CA -1.082 54.901 56.100 -0.196 0.000 0.960 114 R CB 2.118 32.141 30.300 -0.462 0.000 1.221 114 R HN 0.830 nan 8.270 nan 0.000 0.474 115 R N 0.804 121.301 120.500 -0.005 0.000 2.357 115 R HA 0.428 4.766 4.340 -0.004 0.000 0.296 115 R C -1.427 174.890 176.300 0.028 0.000 1.052 115 R CA -0.091 56.023 56.100 0.023 0.000 0.988 115 R CB 0.625 30.891 30.300 -0.057 0.000 1.025 115 R HN 0.517 nan 8.270 nan 0.000 0.469 116 F N 0.180 120.095 119.950 -0.060 0.000 2.711 116 F HA 0.335 4.860 4.527 -0.003 0.000 0.313 116 F C 0.801 176.580 175.800 -0.035 0.000 1.141 116 F CA -0.019 57.957 58.000 -0.040 0.000 0.941 116 F CB 2.111 41.098 39.000 -0.021 0.000 1.349 116 F HN 0.727 nan 8.300 nan 0.000 0.464 117 G N 0.907 109.799 108.800 0.154 0.000 2.269 117 G HA2 0.072 4.030 3.960 -0.004 0.000 0.277 117 G HA3 0.072 4.030 3.960 -0.004 0.000 0.277 117 G C 1.177 176.081 174.900 0.005 0.000 1.008 117 G CA 1.327 46.466 45.100 0.065 0.000 0.774 117 G HN 2.145 nan 8.290 nan 0.000 0.511 118 G N -1.201 107.582 108.800 -0.028 0.000 2.320 118 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.242 118 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.242 118 G C 0.730 175.615 174.900 -0.024 0.000 1.033 118 G CA 0.760 45.834 45.100 -0.042 0.000 0.620 118 G HN 1.353 nan 8.290 nan 0.000 0.517 119 M N 0.988 120.588 119.600 0.001 0.000 2.234 119 M HA -0.037 4.441 4.480 -0.004 0.000 0.409 119 M C 1.711 178.005 176.300 -0.011 0.000 1.378 119 M CA 1.388 56.692 55.300 0.007 0.000 0.815 119 M CB 0.415 33.022 32.600 0.011 0.000 1.971 119 M HN 0.429 nan 8.290 nan 0.000 0.506 120 K N 3.551 123.943 120.400 -0.013 0.000 2.026 120 K HA -0.049 4.269 4.320 -0.004 0.000 0.208 120 K C 0.308 176.884 176.600 -0.040 0.000 1.048 120 K CA 1.000 57.268 56.287 -0.032 0.000 0.929 120 K CB 0.348 32.819 32.500 -0.049 0.000 0.713 120 K HN 0.529 nan 8.250 nan 0.000 0.439 121 I N 3.711 124.245 120.570 -0.061 0.000 2.312 121 I HA 0.036 4.204 4.170 -0.004 0.000 0.290 121 I C -0.317 175.772 176.117 -0.047 0.000 1.008 121 I CA -0.678 60.585 61.300 -0.062 0.000 1.226 121 I CB 1.117 39.032 38.000 -0.142 0.000 1.371 121 I HN 0.274 nan 8.210 nan 0.000 0.468 122 E N 8.251 128.439 120.200 -0.021 0.000 2.328 122 E HA 0.017 4.365 4.350 -0.004 0.000 0.265 122 E C 0.083 176.673 176.600 -0.017 0.000 1.057 122 E CA -0.250 56.144 56.400 -0.010 0.000 0.916 122 E CB 0.221 29.921 29.700 -0.001 0.000 0.993 122 E HN 0.725 nan 8.360 nan 0.000 0.446 123 R N 1.177 121.667 120.500 -0.017 0.000 2.668 123 R HA 0.248 4.586 4.340 -0.004 0.000 0.435 123 R C -0.753 175.600 176.300 0.089 0.000 1.059 123 R CA -0.615 55.485 56.100 0.001 0.000 1.073 123 R CB 0.042 30.268 30.300 -0.123 0.000 1.401 123 R HN 0.185 nan 8.270 nan 0.000 0.590 124 T N 1.177 115.803 114.554 0.120 0.000 2.799 124 T HA 0.266 4.614 4.350 -0.004 0.000 0.286 124 T C -1.071 173.827 174.700 0.330 0.000 0.973 124 T CA -0.172 62.027 62.100 0.165 0.000 1.035 124 T CB 0.710 69.624 68.868 0.076 0.000 0.932 124 T HN 0.188 nan 8.240 nan 0.000 0.469 125 W N 4.764 126.027 121.300 -0.060 0.000 2.390 125 W HA 0.609 5.267 4.660 -0.003 0.000 0.312 125 W C -0.404 176.273 176.519 0.262 0.000 1.123 125 W CA -1.529 55.741 57.345 -0.125 0.000 1.202 125 W CB 0.195 29.158 29.460 -0.827 0.000 1.251 125 W HN 0.611 nan 8.180 nan 0.000 0.511 126 F N 0.609 120.747 119.950 0.314 0.000 2.591 126 F HA 0.829 5.354 4.527 -0.004 0.000 0.309 126 F C -0.421 175.683 175.800 0.506 0.000 1.098 126 F CA -1.857 56.392 58.000 0.415 0.000 0.937 126 F CB 1.456 40.573 39.000 0.194 0.000 1.250 126 F HN 0.328 nan 8.300 nan 0.000 0.447 127 A N 3.408 126.458 122.820 0.385 0.000 2.786 127 A HA 0.785 5.103 4.320 -0.004 0.000 0.346 127 A C 0.579 178.306 177.584 0.238 0.000 1.265 127 A CA -0.107 52.012 52.037 0.137 0.000 0.858 127 A CB -0.601 18.407 19.000 0.014 0.000 1.118 127 A HN 2.417 nan 8.150 nan 0.000 0.482 128 A N 1.783 124.714 122.820 0.185 0.000 6.319 128 A HA -0.154 4.164 4.320 -0.004 0.000 0.281 128 A C 0.471 178.258 177.584 0.338 0.000 2.002 128 A CA 0.995 53.200 52.037 0.280 0.000 0.752 128 A CB -0.962 18.159 19.000 0.201 0.000 1.139 128 A HN 1.609 nan 8.150 nan 0.000 0.391 129 D N -0.535 120.035 120.400 0.283 0.000 3.134 129 D HA 0.381 5.019 4.640 -0.004 0.000 0.248 129 D C 0.356 176.808 176.300 0.254 0.000 1.273 129 D CA 0.364 54.519 54.000 0.258 0.000 0.904 129 D CB 0.243 41.181 40.800 0.231 0.000 1.089 129 D HN 0.604 nan 8.370 nan 0.000 0.478 130 K N -0.970 119.570 120.400 0.234 0.000 2.554 130 K HA 0.064 4.382 4.320 -0.004 0.000 0.211 130 K C 1.277 177.997 176.600 0.200 0.000 1.226 130 K CA -0.075 56.309 56.287 0.162 0.000 1.025 130 K CB 0.702 33.172 32.500 -0.050 0.000 1.021 130 K HN -0.060 nan 8.250 nan 0.000 0.600 131 T N 0.715 115.423 114.554 0.257 0.000 2.693 131 T HA -0.277 4.071 4.350 -0.004 0.000 0.263 131 T C 1.717 176.539 174.700 0.204 0.000 1.046 131 T CA 2.181 64.440 62.100 0.265 0.000 1.160 131 T CB -0.437 68.623 68.868 0.319 0.000 0.853 131 T HN 0.553 nan 8.240 nan 0.000 0.462 132 G N 0.135 109.038 108.800 0.171 0.000 2.421 132 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.216 132 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.216 132 G C 1.306 176.273 174.900 0.113 0.000 1.171 132 G CA 0.822 46.003 45.100 0.135 0.000 0.775 132 G HN 0.523 nan 8.290 nan 0.000 0.543 133 F N 1.396 121.311 119.950 -0.058 0.000 2.043 133 F HA -0.189 4.336 4.527 -0.003 0.000 0.297 133 F C 2.635 178.347 175.800 -0.147 0.000 1.121 133 F CA 2.134 60.027 58.000 -0.179 0.000 1.199 133 F CB -0.416 38.380 39.000 -0.340 0.000 0.968 133 F HN 0.190 nan 8.300 nan 0.000 0.478 134 H N -0.209 118.844 119.070 -0.028 0.000 2.543 134 H HA -0.093 4.461 4.556 -0.004 0.000 0.286 134 H C 2.073 177.292 175.328 -0.183 0.000 1.037 134 H CA 1.673 57.623 56.048 -0.164 0.000 1.250 134 H CB -0.310 29.403 29.762 -0.082 0.000 1.373 134 H HN 0.436 nan 8.280 nan 0.000 0.580 135 M N -1.096 118.511 119.600 0.013 0.000 2.556 135 M HA -0.032 4.446 4.480 -0.004 0.000 0.259 135 M C 2.196 178.557 176.300 0.102 0.000 1.175 135 M CA 0.262 55.596 55.300 0.057 0.000 1.202 135 M CB 0.033 32.713 32.600 0.135 0.000 1.298 135 M HN 0.108 nan 8.290 nan 0.000 0.492 136 L N 0.177 121.452 121.223 0.088 0.000 2.081 136 L HA -0.237 4.101 4.340 -0.004 0.000 0.212 136 L C 2.122 179.079 176.870 0.145 0.000 1.080 136 L CA 2.189 57.101 54.840 0.120 0.000 0.754 136 L CB -0.719 41.401 42.059 0.102 0.000 0.893 136 L HN 0.264 nan 8.230 nan 0.000 0.433 137 H N -1.347 117.638 119.070 -0.142 0.000 2.372 137 H HA -0.027 4.527 4.556 -0.003 0.000 0.301 137 H C 2.163 177.506 175.328 0.025 0.000 1.065 137 H CA 1.759 57.737 56.048 -0.116 0.000 1.364 137 H CB -0.482 29.011 29.762 -0.448 0.000 1.406 137 H HN 0.306 nan 8.280 nan 0.000 0.521 138 T N 1.084 115.714 114.554 0.127 0.000 2.652 138 T HA -0.143 4.205 4.350 -0.004 0.000 0.267 138 T C 2.238 177.033 174.700 0.158 0.000 1.039 138 T CA 1.388 63.567 62.100 0.131 0.000 1.153 138 T CB -0.458 68.493 68.868 0.137 0.000 0.863 138 T HN 0.132 nan 8.240 nan 0.000 0.428 139 L N 0.038 121.389 121.223 0.214 0.000 1.944 139 L HA -0.117 4.221 4.340 -0.004 0.000 0.218 139 L C 2.300 179.234 176.870 0.107 0.000 1.075 139 L CA 1.909 56.883 54.840 0.223 0.000 0.767 139 L CB -0.818 41.395 42.059 0.258 0.000 0.890 139 L HN 0.203 nan 8.230 nan 0.000 0.434 140 F N 0.744 120.696 119.950 0.002 0.000 2.085 140 F HA -0.360 4.165 4.527 -0.004 0.000 0.299 140 F C 2.615 178.373 175.800 -0.069 0.000 1.096 140 F CA 2.154 60.127 58.000 -0.044 0.000 1.227 140 F CB -0.435 38.498 39.000 -0.111 0.000 0.983 140 F HN 0.102 nan 8.300 nan 0.000 0.482 141 Q N -0.810 118.836 119.800 -0.255 0.000 2.079 141 Q HA -0.151 4.187 4.340 -0.004 0.000 0.200 141 Q C 2.217 178.026 176.000 -0.319 0.000 0.974 141 Q CA 2.108 57.700 55.803 -0.351 0.000 0.840 141 Q CB -0.429 28.251 28.738 -0.096 0.000 0.898 141 Q HN 0.384 nan 8.270 nan 0.000 0.430 142 T N 0.079 114.486 114.554 -0.244 0.000 2.833 142 T HA -0.146 4.202 4.350 -0.004 0.000 0.269 142 T C 1.800 176.319 174.700 -0.301 0.000 1.054 142 T CA 1.344 63.228 62.100 -0.360 0.000 1.135 142 T CB -0.244 68.268 68.868 -0.593 0.000 0.869 142 T HN 0.360 nan 8.240 nan 0.000 0.466 143 S N 0.795 116.356 115.700 -0.232 0.000 2.547 143 S HA 0.064 4.531 4.470 -0.004 0.000 0.235 143 S C 1.853 176.384 174.600 -0.116 0.000 0.980 143 S CA 0.428 58.582 58.200 -0.076 0.000 0.941 143 S CB -0.585 62.542 63.200 -0.121 0.000 0.763 143 S HN 0.514 nan 8.310 nan 0.000 0.532 144 L N 1.124 122.169 121.223 -0.297 0.000 2.313 144 L HA 0.006 4.344 4.340 -0.004 0.000 0.214 144 L C 2.729 179.451 176.870 -0.248 0.000 1.119 144 L CA 1.075 55.743 54.840 -0.286 0.000 0.809 144 L CB -0.464 41.388 42.059 -0.346 0.000 0.933 144 L HN 0.606 nan 8.230 nan 0.000 0.449 145 Q N -0.211 119.364 119.800 -0.375 0.000 2.444 145 Q HA -0.025 4.313 4.340 -0.004 0.000 0.206 145 Q C -0.209 175.390 176.000 -0.668 0.000 0.948 145 Q CA 0.258 55.743 55.803 -0.529 0.000 0.946 145 Q CB -0.006 28.335 28.738 -0.662 0.000 1.027 145 Q HN 0.297 nan 8.270 nan 0.000 0.513 146 F N 1.545 121.414 119.950 -0.136 0.000 2.308 146 F HA 0.373 4.898 4.527 -0.004 0.000 0.370 146 F C -1.826 173.935 175.800 -0.064 0.000 1.100 146 F CA -2.785 55.160 58.000 -0.093 0.000 1.108 146 F CB 1.704 40.647 39.000 -0.095 0.000 1.293 146 F HN -0.065 nan 8.300 nan 0.000 0.478 147 P HA -0.175 nan 4.420 nan 0.000 0.222 147 P C 1.104 178.449 177.300 0.074 0.000 1.147 147 P CA 1.229 64.355 63.100 0.043 0.000 0.790 147 P CB 0.197 31.907 31.700 0.017 0.000 0.780 148 Q N -0.534 119.329 119.800 0.105 0.000 2.170 148 Q HA -0.054 4.284 4.340 -0.004 0.000 0.203 148 Q C 0.753 176.803 176.000 0.083 0.000 0.976 148 Q CA 0.780 56.635 55.803 0.088 0.000 0.858 148 Q CB -0.727 28.061 28.738 0.083 0.000 0.907 148 Q HN 0.322 nan 8.270 nan 0.000 0.433 149 I N 1.930 122.558 120.570 0.095 0.000 2.347 149 I HA 0.053 4.221 4.170 -0.004 0.000 0.294 149 I C -0.032 176.141 176.117 0.093 0.000 1.090 149 I CA -0.571 60.779 61.300 0.084 0.000 1.314 149 I CB 0.366 38.411 38.000 0.076 0.000 1.423 149 I HN 0.042 nan 8.210 nan 0.000 0.503 150 Q N 8.192 128.069 119.800 0.128 0.000 2.431 150 Q HA 0.305 4.643 4.340 -0.004 0.000 0.249 150 Q C -0.668 175.463 176.000 0.218 0.000 1.025 150 Q CA -0.408 55.478 55.803 0.139 0.000 0.835 150 Q CB 0.644 29.491 28.738 0.182 0.000 1.207 150 Q HN 0.462 nan 8.270 nan 0.000 0.490 151 R N 2.868 123.445 120.500 0.130 0.000 2.539 151 R HA 0.267 4.604 4.340 -0.004 0.000 0.275 151 R C -0.563 175.794 176.300 0.095 0.000 1.077 151 R CA -0.082 56.128 56.100 0.184 0.000 1.097 151 R CB 0.569 30.953 30.300 0.140 0.000 1.018 151 R HN 0.528 nan 8.270 nan 0.000 0.483 152 F N 1.564 121.536 119.950 0.036 0.000 2.471 152 F HA 0.172 4.696 4.527 -0.005 0.000 0.318 152 F C -0.162 175.650 175.800 0.020 0.000 1.308 152 F CA -0.977 57.097 58.000 0.124 0.000 1.162 152 F CB 0.374 39.519 39.000 0.242 0.000 1.383 152 F HN 0.308 nan 8.300 nan 0.000 0.552 153 D N 1.779 122.156 120.400 -0.038 0.000 2.472 153 D HA -0.032 4.606 4.640 -0.004 0.000 0.237 153 D C 0.541 176.615 176.300 -0.377 0.000 1.141 153 D CA 0.603 54.448 54.000 -0.259 0.000 0.875 153 D CB 0.547 41.072 40.800 -0.459 0.000 1.192 153 D HN 0.494 nan 8.370 nan 0.000 0.450 154 E N 0.734 120.726 120.200 -0.347 0.000 2.222 154 E HA -0.266 4.082 4.350 -0.004 0.000 0.189 154 E C -0.689 175.824 176.600 -0.146 0.000 1.415 154 E CA 0.679 56.957 56.400 -0.204 0.000 0.689 154 E CB -1.491 28.113 29.700 -0.160 0.000 1.107 154 E HN 0.522 nan 8.360 nan 0.000 0.350 155 H N -0.009 119.056 119.070 -0.008 0.000 2.823 155 H HA 0.278 4.832 4.556 -0.003 0.000 0.332 155 H C -0.856 174.503 175.328 0.051 0.000 0.980 155 H CA -0.945 55.131 56.048 0.047 0.000 1.286 155 H CB 0.808 30.620 29.762 0.083 0.000 1.541 155 H HN 0.138 nan 8.280 nan 0.000 0.521 156 F N 5.573 125.563 119.950 0.067 0.000 2.377 156 F HA 0.178 4.702 4.527 -0.004 0.000 0.360 156 F C -0.354 175.431 175.800 -0.026 0.000 1.147 156 F CA -0.748 57.242 58.000 -0.017 0.000 1.170 156 F CB -0.037 38.916 39.000 -0.078 0.000 1.339 156 F HN 0.246 nan 8.300 nan 0.000 0.552 157 V N 8.405 128.470 119.914 0.253 0.000 2.475 157 V HA -0.143 3.975 4.120 -0.004 0.000 0.292 157 V C 1.404 177.674 176.094 0.292 0.000 1.003 157 V CA 0.647 63.050 62.300 0.171 0.000 1.120 157 V CB 0.359 32.218 31.823 0.060 0.000 0.937 157 V HN 0.824 nan 8.190 nan 0.000 0.476 158 L N 2.733 124.061 121.223 0.175 0.000 2.202 158 L HA 0.269 4.607 4.340 -0.004 0.000 0.205 158 L C 0.708 177.671 176.870 0.155 0.000 1.083 158 L CA 0.930 55.849 54.840 0.132 0.000 0.790 158 L CB 0.265 42.341 42.059 0.027 0.000 0.942 158 L HN 0.769 nan 8.230 nan 0.000 0.452 159 D N -1.697 118.779 120.400 0.127 0.000 2.742 159 D HA 0.267 4.905 4.640 -0.004 0.000 0.262 159 D C -1.184 175.186 176.300 0.117 0.000 1.240 159 D CA -0.552 53.536 54.000 0.147 0.000 0.752 159 D CB 1.225 42.113 40.800 0.147 0.000 1.290 159 D HN 0.014 nan 8.370 nan 0.000 0.420 160 I N -1.481 119.178 120.570 0.148 0.000 2.924 160 I HA 0.655 4.823 4.170 -0.004 0.000 0.316 160 I C -0.551 175.539 176.117 -0.045 0.000 1.014 160 I CA -0.977 60.344 61.300 0.035 0.000 1.106 160 I CB 1.307 39.307 38.000 0.000 0.000 1.311 160 I HN 0.217 nan 8.210 nan 0.000 0.502 161 L N 4.019 125.186 121.223 -0.092 0.000 2.319 161 L HA 0.675 5.013 4.340 -0.004 0.000 0.281 161 L C -0.729 176.051 176.870 -0.150 0.000 1.005 161 L CA -0.659 54.117 54.840 -0.108 0.000 0.828 161 L CB 1.602 43.639 42.059 -0.037 0.000 1.227 161 L HN 0.400 nan 8.230 nan 0.000 0.415 162 V N 1.721 121.499 119.914 -0.225 0.000 2.876 162 V HA 0.611 4.729 4.120 -0.004 0.000 0.312 162 V C -1.016 175.034 176.094 -0.073 0.000 1.085 162 V CA -0.574 61.634 62.300 -0.153 0.000 0.945 162 V CB 2.561 34.241 31.823 -0.238 0.000 1.017 162 V HN 0.820 nan 8.190 nan 0.000 0.428 163 D N 2.653 123.044 120.400 -0.015 0.000 2.931 163 D HA 0.150 4.788 4.640 -0.004 0.000 0.215 163 D C -0.922 175.393 176.300 0.025 0.000 1.297 163 D CA -0.225 53.777 54.000 0.004 0.000 0.892 163 D CB 2.097 42.898 40.800 0.003 0.000 1.642 163 D HN 0.707 nan 8.370 nan 0.000 0.560 164 D N 2.818 123.232 120.400 0.023 0.000 2.812 164 D HA -0.139 4.498 4.640 -0.004 0.000 0.237 164 D C 0.822 177.153 176.300 0.051 0.000 1.162 164 D CA 1.591 55.609 54.000 0.030 0.000 0.740 164 D CB -1.149 39.664 40.800 0.023 0.000 1.000 164 D HN 0.967 nan 8.370 nan 0.000 0.416 165 G N 1.321 110.144 108.800 0.038 0.000 2.390 165 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.299 165 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.299 165 G C -0.018 174.918 174.900 0.060 0.000 1.002 165 G CA 1.143 46.262 45.100 0.032 0.000 0.979 165 G HN 0.826 nan 8.290 nan 0.000 0.513 166 H N -1.841 117.213 119.070 -0.026 0.000 3.123 166 H HA 0.428 4.983 4.556 -0.002 0.000 0.346 166 H C -0.838 174.468 175.328 -0.037 0.000 1.138 166 H CA -0.117 55.919 56.048 -0.021 0.000 1.273 166 H CB 2.010 31.767 29.762 -0.010 0.000 1.926 166 H HN 0.324 nan 8.280 nan 0.000 0.524 167 V N 5.202 125.138 119.914 0.036 0.000 2.607 167 V HA 0.404 4.522 4.120 -0.004 0.000 0.289 167 V C 0.200 176.401 176.094 0.178 0.000 1.053 167 V CA -0.168 62.162 62.300 0.050 0.000 0.996 167 V CB 0.754 32.563 31.823 -0.024 0.000 0.995 167 V HN 0.742 nan 8.190 nan 0.000 0.476 168 R N 5.117 125.661 120.500 0.072 0.000 2.776 168 R HA 0.501 4.839 4.340 -0.004 0.000 0.391 168 R C 0.343 176.653 176.300 0.018 0.000 1.116 168 R CA 0.299 56.432 56.100 0.056 0.000 1.056 168 R CB 0.831 31.147 30.300 0.026 0.000 1.369 168 R HN 1.108 nan 8.270 nan 0.000 0.590 169 G N 1.048 109.854 108.800 0.009 0.000 2.342 169 G HA2 -0.043 3.915 3.960 -0.004 0.000 0.220 169 G HA3 -0.043 3.915 3.960 -0.004 0.000 0.220 169 G C -1.350 173.533 174.900 -0.029 0.000 1.243 169 G CA -0.465 44.625 45.100 -0.016 0.000 1.083 169 G HN 0.257 nan 8.290 nan 0.000 0.500 170 L N -4.085 117.114 121.223 -0.041 0.000 2.892 170 L HA 0.913 5.251 4.340 -0.004 0.000 0.269 170 L C -0.778 176.068 176.870 -0.041 0.000 1.058 170 L CA -1.291 53.528 54.840 -0.035 0.000 0.923 170 L CB 1.523 43.553 42.059 -0.047 0.000 1.518 170 L HN 1.067 nan 8.230 nan 0.000 0.402 171 V N 0.678 120.580 119.914 -0.019 0.000 2.487 171 V HA 0.972 5.090 4.120 -0.004 0.000 0.298 171 V C 0.159 176.240 176.094 -0.022 0.000 1.028 171 V CA 0.319 62.606 62.300 -0.021 0.000 0.860 171 V CB 1.053 32.879 31.823 0.006 0.000 0.991 171 V HN 1.199 nan 8.190 nan 0.000 0.427 172 A N 5.099 127.882 122.820 -0.062 0.000 2.437 172 A HA 0.993 5.311 4.320 -0.004 0.000 0.292 172 A C -0.850 176.727 177.584 -0.012 0.000 1.173 172 A CA -0.788 51.228 52.037 -0.035 0.000 0.785 172 A CB 2.136 21.055 19.000 -0.134 0.000 1.351 172 A HN 0.830 nan 8.150 nan 0.000 0.431 173 M N 1.172 120.820 119.600 0.080 0.000 2.253 173 M HA 0.358 4.836 4.480 -0.004 0.000 0.314 173 M C -0.846 175.635 176.300 0.302 0.000 1.019 173 M CA -0.448 54.913 55.300 0.102 0.000 0.932 173 M CB 1.190 33.789 32.600 -0.001 0.000 1.606 173 M HN 0.821 nan 8.290 nan 0.000 0.430 174 N N 4.439 123.342 118.700 0.337 0.000 2.416 174 N HA 0.100 4.838 4.740 -0.004 0.000 0.271 174 N C 0.875 176.460 175.510 0.125 0.000 1.245 174 N CA 0.128 53.396 53.050 0.363 0.000 0.940 174 N CB 0.542 39.212 38.487 0.304 0.000 1.175 174 N HN 0.768 nan 8.380 nan 0.000 0.483 175 M N 2.212 121.848 119.600 0.060 0.000 2.106 175 M HA -0.256 4.222 4.480 -0.004 0.000 0.259 175 M C 1.848 178.209 176.300 0.102 0.000 1.068 175 M CA 1.705 56.998 55.300 -0.012 0.000 1.100 175 M CB -0.255 32.297 32.600 -0.081 0.000 1.351 175 M HN 0.639 nan 8.290 nan 0.000 0.404 176 M N 0.487 120.202 119.600 0.192 0.000 2.064 176 M HA -0.128 4.350 4.480 -0.004 0.000 0.260 176 M C 2.016 178.387 176.300 0.119 0.000 1.073 176 M CA 1.813 57.245 55.300 0.220 0.000 1.124 176 M CB -0.311 32.357 32.600 0.114 0.000 1.326 176 M HN 0.039 nan 8.290 nan 0.000 0.410 177 E N -0.456 119.791 120.200 0.080 0.000 2.106 177 E HA 0.013 4.360 4.350 -0.004 0.000 0.192 177 E C 1.389 178.020 176.600 0.052 0.000 0.984 177 E CA 1.179 57.618 56.400 0.065 0.000 0.806 177 E CB -0.533 29.213 29.700 0.076 0.000 0.750 177 E HN 0.705 nan 8.360 nan 0.000 0.458 178 G N 1.935 110.763 108.800 0.046 0.000 2.137 178 G HA2 -0.257 3.700 3.960 -0.004 0.000 0.237 178 G HA3 -0.257 3.700 3.960 -0.004 0.000 0.237 178 G C 0.392 175.304 174.900 0.019 0.000 1.002 178 G CA 0.729 45.837 45.100 0.012 0.000 0.702 178 G HN 0.403 nan 8.290 nan 0.000 0.515 179 T N -0.944 113.642 114.554 0.054 0.000 2.824 179 T HA 0.735 5.082 4.350 -0.004 0.000 0.280 179 T C 0.459 175.200 174.700 0.068 0.000 0.995 179 T CA -0.983 61.154 62.100 0.061 0.000 1.009 179 T CB 2.071 70.991 68.868 0.087 0.000 0.955 179 T HN 0.531 nan 8.240 nan 0.000 0.452 180 L N 2.693 123.941 121.223 0.041 0.000 2.395 180 L HA 0.685 5.023 4.340 -0.004 0.000 0.269 180 L C -0.249 176.649 176.870 0.047 0.000 1.133 180 L CA -0.969 53.888 54.840 0.028 0.000 0.812 180 L CB 0.969 43.034 42.059 0.009 0.000 1.125 180 L HN 0.482 nan 8.230 nan 0.000 0.452 181 V N 1.582 121.507 119.914 0.017 0.000 3.007 181 V HA 0.385 4.503 4.120 -0.004 0.000 0.311 181 V C -0.728 175.370 176.094 0.007 0.000 1.120 181 V CA -0.784 61.538 62.300 0.037 0.000 0.980 181 V CB 2.198 34.006 31.823 -0.025 0.000 1.033 181 V HN 0.737 nan 8.190 nan 0.000 0.429 182 Q N 2.439 122.281 119.800 0.071 0.000 2.339 182 Q HA 0.605 4.943 4.340 -0.004 0.000 0.268 182 Q C -1.597 174.439 176.000 0.059 0.000 1.027 182 Q CA -0.576 55.249 55.803 0.037 0.000 0.759 182 Q CB 2.335 31.099 28.738 0.044 0.000 1.244 182 Q HN 0.556 nan 8.270 nan 0.000 0.464 183 I N 2.732 123.275 120.570 -0.045 0.000 2.359 183 I HA 0.278 4.446 4.170 -0.004 0.000 0.294 183 I C -0.168 175.934 176.117 -0.026 0.000 0.987 183 I CA -0.485 60.781 61.300 -0.056 0.000 1.225 183 I CB 0.826 38.666 38.000 -0.265 0.000 1.366 183 I HN 0.266 nan 8.210 nan 0.000 0.466 184 R N 5.127 125.637 120.500 0.018 0.000 2.346 184 R HA 0.910 5.248 4.340 -0.004 0.000 0.311 184 R C -0.823 175.481 176.300 0.006 0.000 0.983 184 R CA -0.831 55.276 56.100 0.012 0.000 0.880 184 R CB 1.372 31.685 30.300 0.022 0.000 1.100 184 R HN 0.746 nan 8.270 nan 0.000 0.453 185 A N 2.241 125.064 122.820 0.004 0.000 2.599 185 A HA 0.360 4.678 4.320 -0.004 0.000 0.294 185 A C -0.620 176.988 177.584 0.039 0.000 1.055 185 A CA -0.792 51.252 52.037 0.010 0.000 0.683 185 A CB 1.260 20.253 19.000 -0.012 0.000 1.278 185 A HN 0.621 nan 8.150 nan 0.000 0.412 186 N N 0.405 119.141 118.700 0.060 0.000 2.251 186 N HA 0.436 5.174 4.740 -0.004 0.000 0.217 186 N C -0.255 175.382 175.510 0.211 0.000 1.124 186 N CA 0.969 54.108 53.050 0.149 0.000 0.843 186 N CB 1.207 39.744 38.487 0.083 0.000 1.024 186 N HN 1.076 nan 8.380 nan 0.000 0.501 187 A N 0.096 122.973 122.820 0.094 0.000 2.509 187 A HA 0.484 4.802 4.320 -0.004 0.000 0.282 187 A C -1.123 176.449 177.584 -0.020 0.000 1.054 187 A CA -0.467 51.597 52.037 0.044 0.000 0.820 187 A CB 0.869 19.829 19.000 -0.067 0.000 1.333 187 A HN -0.082 nan 8.150 nan 0.000 0.409 188 V N 2.625 122.554 119.914 0.025 0.000 2.495 188 V HA 0.569 4.686 4.120 -0.004 0.000 0.298 188 V C -0.329 175.783 176.094 0.029 0.000 1.031 188 V CA -0.597 61.705 62.300 0.003 0.000 0.871 188 V CB 1.778 33.611 31.823 0.017 0.000 0.988 188 V HN 0.686 nan 8.190 nan 0.000 0.432 189 V N 5.707 125.608 119.914 -0.021 0.000 2.357 189 V HA 0.437 4.555 4.120 -0.004 0.000 0.284 189 V C 0.036 176.151 176.094 0.035 0.000 1.018 189 V CA -0.559 61.749 62.300 0.015 0.000 0.841 189 V CB 1.648 33.428 31.823 -0.072 0.000 0.991 189 V HN 0.730 nan 8.190 nan 0.000 0.437 190 M N 4.307 123.948 119.600 0.067 0.000 2.120 190 M HA 0.512 4.990 4.480 -0.004 0.000 0.354 190 M C 0.269 176.597 176.300 0.047 0.000 1.287 190 M CA 0.002 55.329 55.300 0.045 0.000 1.103 190 M CB 0.991 33.616 32.600 0.042 0.000 1.623 190 M HN 0.742 nan 8.290 nan 0.000 0.471 191 A N 2.547 125.387 122.820 0.033 0.000 3.234 191 A HA 0.337 4.655 4.320 -0.004 0.000 0.247 191 A C 0.775 178.372 177.584 0.022 0.000 0.938 191 A CA -0.480 51.581 52.037 0.040 0.000 1.039 191 A CB -0.355 18.678 19.000 0.056 0.000 1.197 191 A HN 0.785 nan 8.150 nan 0.000 0.498 192 T N -2.438 112.119 114.554 0.004 0.000 3.144 192 T HA 0.470 4.818 4.350 -0.004 0.000 0.249 192 T C 1.164 175.847 174.700 -0.028 0.000 1.089 192 T CA 0.750 62.840 62.100 -0.017 0.000 0.989 192 T CB -0.282 68.569 68.868 -0.029 0.000 0.992 192 T HN 2.094 nan 8.240 nan 0.000 0.540 193 G N 0.342 109.129 108.800 -0.021 0.000 2.750 193 G HA2 0.169 4.127 3.960 -0.004 0.000 0.228 193 G HA3 0.169 4.127 3.960 -0.004 0.000 0.228 193 G C 0.270 175.109 174.900 -0.101 0.000 1.367 193 G CA -0.582 44.489 45.100 -0.048 0.000 0.871 193 G HN 0.829 nan 8.290 nan 0.000 0.560 194 G N -1.569 107.131 108.800 -0.168 0.000 2.486 194 G HA2 0.630 4.588 3.960 -0.004 0.000 0.272 194 G HA3 0.630 4.588 3.960 -0.004 0.000 0.272 194 G C 0.915 175.721 174.900 -0.157 0.000 1.426 194 G CA 1.185 46.157 45.100 -0.214 0.000 1.058 194 G HN 2.193 nan 8.290 nan 0.000 0.531 195 A N -1.464 121.265 122.820 -0.150 0.000 2.592 195 A HA 0.544 4.862 4.320 -0.004 0.000 0.290 195 A C 1.782 179.325 177.584 -0.069 0.000 0.998 195 A CA 0.970 52.948 52.037 -0.099 0.000 0.983 195 A CB 0.088 19.042 19.000 -0.077 0.000 1.240 195 A HN 1.144 nan 8.150 nan 0.000 0.535 196 G N 0.650 109.389 108.800 -0.101 0.000 2.485 196 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.221 196 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.221 196 G C 1.326 176.233 174.900 0.011 0.000 1.115 196 G CA 0.616 45.695 45.100 -0.034 0.000 0.751 196 G HN 0.472 nan 8.290 nan 0.000 0.567 197 R N 0.519 120.986 120.500 -0.055 0.000 2.395 197 R HA -0.021 4.317 4.340 -0.004 0.000 0.203 197 R C 2.328 178.597 176.300 -0.052 0.000 1.076 197 R CA 0.918 56.988 56.100 -0.050 0.000 1.059 197 R CB -0.381 29.880 30.300 -0.066 0.000 0.860 197 R HN 0.549 nan 8.270 nan 0.000 0.476 198 V N -3.401 116.480 119.914 -0.054 0.000 3.129 198 V HA 0.032 4.150 4.120 -0.004 0.000 0.259 198 V C 0.627 176.583 176.094 -0.231 0.000 1.116 198 V CA 0.398 62.602 62.300 -0.159 0.000 1.127 198 V CB -0.625 31.068 31.823 -0.217 0.000 0.742 198 V HN -0.054 nan 8.190 nan 0.000 0.474 199 Y N 0.533 120.763 120.300 -0.117 0.000 2.310 199 Y HA 0.503 5.051 4.550 -0.004 0.000 0.326 199 Y C 1.767 177.563 175.900 -0.173 0.000 1.151 199 Y CA -0.444 57.582 58.100 -0.125 0.000 1.195 199 Y CB 1.214 39.603 38.460 -0.118 0.000 1.210 199 Y HN -0.114 nan 8.280 nan 0.000 0.483 200 R N 1.790 122.220 120.500 -0.116 0.000 2.091 200 R HA -0.128 4.210 4.340 -0.004 0.000 0.238 200 R C -0.670 175.406 176.300 -0.373 0.000 1.136 200 R CA 1.460 57.336 56.100 -0.374 0.000 0.959 200 R CB -0.067 29.824 30.300 -0.682 0.000 0.856 200 R HN 0.712 nan 8.270 nan 0.000 0.437 201 Y N 0.809 121.120 120.300 0.018 0.000 2.334 201 Y HA 0.240 4.788 4.550 -0.003 0.000 0.336 201 Y C -0.328 175.515 175.900 -0.096 0.000 0.960 201 Y CA -1.149 56.927 58.100 -0.040 0.000 1.164 201 Y CB 1.205 39.641 38.460 -0.041 0.000 1.155 201 Y HN 0.287 nan 8.280 nan 0.000 0.478 202 N N -1.554 117.185 118.700 0.065 0.000 2.972 202 N HA 0.325 5.063 4.740 -0.004 0.000 0.262 202 N C -0.169 175.324 175.510 -0.028 0.000 1.478 202 N CA -0.740 52.286 53.050 -0.040 0.000 0.841 202 N CB 1.353 39.804 38.487 -0.061 0.000 1.512 202 N HN 0.248 nan 8.380 nan 0.000 0.548 203 T N -3.612 110.935 114.554 -0.012 0.000 3.092 203 T HA 0.319 4.666 4.350 -0.004 0.000 0.258 203 T C -0.317 174.429 174.700 0.076 0.000 1.031 203 T CA -0.353 61.771 62.100 0.041 0.000 0.925 203 T CB -1.177 67.779 68.868 0.147 0.000 1.036 203 T HN 0.520 nan 8.240 nan 0.000 0.544 204 N N 0.597 119.268 118.700 -0.049 0.000 2.495 204 N HA 0.537 5.275 4.740 -0.004 0.000 0.280 204 N C 0.247 175.724 175.510 -0.055 0.000 1.168 204 N CA -1.067 51.843 53.050 -0.233 0.000 0.978 204 N CB 0.877 39.132 38.487 -0.387 0.000 1.191 204 N HN 0.327 nan 8.380 nan 0.000 0.497 205 G N -0.916 107.887 108.800 0.006 0.000 2.503 205 G HA2 0.236 4.194 3.960 -0.004 0.000 0.257 205 G HA3 0.236 4.194 3.960 -0.004 0.000 0.257 205 G C 1.047 175.955 174.900 0.014 0.000 1.214 205 G CA -0.626 44.560 45.100 0.143 0.000 0.839 205 G HN 0.628 nan 8.290 nan 0.000 0.559 206 G N 0.562 109.371 108.800 0.016 0.000 2.537 206 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.220 206 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.220 206 G C 1.468 176.349 174.900 -0.030 0.000 1.111 206 G CA 1.199 46.285 45.100 -0.025 0.000 0.748 206 G HN 0.877 nan 8.290 nan 0.000 0.564 207 I N -2.075 118.490 120.570 -0.008 0.000 3.419 207 I HA 0.243 4.411 4.170 -0.004 0.000 0.286 207 I C 0.376 176.456 176.117 -0.061 0.000 1.268 207 I CA -0.041 61.243 61.300 -0.026 0.000 1.414 207 I CB 0.323 38.321 38.000 -0.004 0.000 1.074 207 I HN -0.176 nan 8.210 nan 0.000 0.457 208 V N 3.008 122.874 119.914 -0.081 0.000 2.055 208 V HA 0.092 4.210 4.120 -0.004 0.000 0.248 208 V C 0.880 176.914 176.094 -0.101 0.000 1.476 208 V CA 0.552 62.780 62.300 -0.119 0.000 1.417 208 V CB -0.625 31.064 31.823 -0.223 0.000 1.465 208 V HN 0.427 nan 8.190 nan 0.000 0.502 209 T N 0.812 115.321 114.554 -0.075 0.000 3.069 209 T HA 0.248 4.596 4.350 -0.004 0.000 0.252 209 T C 1.516 176.197 174.700 -0.033 0.000 1.053 209 T CA 0.470 62.540 62.100 -0.050 0.000 0.964 209 T CB 0.434 69.288 68.868 -0.023 0.000 1.005 209 T HN 0.880 nan 8.240 nan 0.000 0.532 210 G N 2.600 111.374 108.800 -0.044 0.000 2.225 210 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.264 210 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.264 210 G C 0.512 175.447 174.900 0.058 0.000 1.060 210 G CA 0.281 45.368 45.100 -0.021 0.000 0.833 210 G HN 0.430 nan 8.290 nan 0.000 0.498 211 D N 0.268 120.705 120.400 0.062 0.000 2.117 211 D HA -0.103 4.535 4.640 -0.004 0.000 0.197 211 D C 2.517 178.975 176.300 0.263 0.000 0.987 211 D CA 1.642 55.774 54.000 0.220 0.000 0.829 211 D CB -0.643 40.124 40.800 -0.055 0.000 0.961 211 D HN 0.562 nan 8.370 nan 0.000 0.460 212 G N 1.180 110.031 108.800 0.085 0.000 2.476 212 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.218 212 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.218 212 G C 1.716 176.633 174.900 0.029 0.000 1.164 212 G CA 0.819 45.951 45.100 0.054 0.000 0.768 212 G HN 0.201 nan 8.290 nan 0.000 0.560 213 M N 0.668 120.269 119.600 0.002 0.000 2.086 213 M HA 0.012 4.490 4.480 -0.004 0.000 0.261 213 M C 2.912 179.164 176.300 -0.080 0.000 1.067 213 M CA 1.437 56.710 55.300 -0.046 0.000 1.116 213 M CB -0.711 31.853 32.600 -0.061 0.000 1.348 213 M HN 0.274 nan 8.290 nan 0.000 0.407 214 G N 0.366 109.118 108.800 -0.079 0.000 2.450 214 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.220 214 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.220 214 G C 1.534 176.204 174.900 -0.383 0.000 1.130 214 G CA 0.794 45.719 45.100 -0.292 0.000 0.760 214 G HN 0.375 nan 8.290 nan 0.000 0.557 215 M N 0.489 119.967 119.600 -0.204 0.000 2.236 215 M HA 0.131 4.609 4.480 -0.004 0.000 0.266 215 M C 3.011 179.285 176.300 -0.044 0.000 1.070 215 M CA 1.127 56.368 55.300 -0.098 0.000 1.137 215 M CB -0.063 32.584 32.600 0.078 0.000 1.378 215 M HN 0.280 nan 8.290 nan 0.000 0.426 216 A N 0.196 122.998 122.820 -0.031 0.000 2.015 216 A HA -0.105 4.213 4.320 -0.004 0.000 0.219 216 A C 2.043 179.585 177.584 -0.069 0.000 1.163 216 A CA 1.126 53.153 52.037 -0.017 0.000 0.646 216 A CB -0.579 18.395 19.000 -0.044 0.000 0.806 216 A HN 0.369 nan 8.150 nan 0.000 0.448 217 L N -0.295 120.852 121.223 -0.127 0.000 2.056 217 L HA -0.060 4.278 4.340 -0.004 0.000 0.207 217 L C 2.538 179.320 176.870 -0.146 0.000 1.078 217 L CA 2.154 56.904 54.840 -0.150 0.000 0.749 217 L CB -0.455 41.502 42.059 -0.170 0.000 0.901 217 L HN 0.284 nan 8.230 nan 0.000 0.433 218 S N -1.524 114.047 115.700 -0.215 0.000 2.474 218 S HA -0.071 4.397 4.470 -0.004 0.000 0.235 218 S C 0.836 175.201 174.600 -0.391 0.000 0.997 218 S CA 0.587 58.600 58.200 -0.312 0.000 0.949 218 S CB -0.404 62.544 63.200 -0.419 0.000 0.766 218 S HN 0.459 nan 8.310 nan 0.000 0.517 219 H N -0.136 118.911 119.070 -0.039 0.000 2.507 219 H HA 0.338 4.892 4.556 -0.003 0.000 0.281 219 H C 1.473 176.795 175.328 -0.010 0.000 1.160 219 H CA 0.212 56.248 56.048 -0.020 0.000 0.981 219 H CB -0.100 29.650 29.762 -0.020 0.000 1.665 219 H HN 0.414 nan 8.280 nan 0.000 0.554 220 G N 0.800 109.643 108.800 0.072 0.000 2.196 220 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.268 220 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.268 220 G C 0.478 175.413 174.900 0.059 0.000 0.975 220 G CA 0.609 45.772 45.100 0.106 0.000 0.648 220 G HN 0.298 nan 8.290 nan 0.000 0.538 221 V N 2.998 122.893 119.914 -0.032 0.000 2.583 221 V HA 0.484 4.602 4.120 -0.004 0.000 0.287 221 V C -1.125 174.770 176.094 -0.332 0.000 1.051 221 V CA -1.024 61.197 62.300 -0.133 0.000 1.010 221 V CB 1.503 33.271 31.823 -0.092 0.000 0.988 221 V HN 0.270 nan 8.190 nan 0.000 0.478 222 P HA 0.400 nan 4.420 nan 0.000 0.290 222 P C -1.141 175.897 177.300 -0.436 0.000 1.275 222 P CA -0.580 62.030 63.100 -0.816 0.000 0.841 222 P CB 1.438 32.387 31.700 -1.252 0.000 1.042 223 L N 2.982 123.985 121.223 -0.366 0.000 2.257 223 L HA 0.435 4.773 4.340 -0.004 0.000 0.290 223 L C 1.178 177.933 176.870 -0.192 0.000 1.044 223 L CA -0.631 54.074 54.840 -0.225 0.000 0.810 223 L CB 0.796 42.746 42.059 -0.181 0.000 1.193 223 L HN 0.373 nan 8.230 nan 0.000 0.425 224 R N 3.472 123.885 120.500 -0.146 0.000 2.410 224 R HA 0.144 4.482 4.340 -0.004 0.000 0.288 224 R C -0.340 175.957 176.300 -0.005 0.000 1.051 224 R CA -0.328 55.720 56.100 -0.088 0.000 1.021 224 R CB 0.634 30.861 30.300 -0.122 0.000 1.032 224 R HN 0.636 nan 8.270 nan 0.000 0.481 225 D N 3.894 124.330 120.400 0.061 0.000 2.751 225 D HA -0.190 4.447 4.640 -0.004 0.000 0.233 225 D C 0.513 176.804 176.300 -0.014 0.000 1.149 225 D CA 0.766 54.849 54.000 0.139 0.000 0.682 225 D CB -0.465 40.613 40.800 0.463 0.000 1.068 225 D HN 0.591 nan 8.370 nan 0.000 0.429 226 M N -0.227 119.313 119.600 -0.100 0.000 2.700 226 M HA -0.109 4.369 4.480 -0.004 0.000 0.249 226 M C 2.009 178.203 176.300 -0.176 0.000 1.082 226 M CA 1.051 56.286 55.300 -0.108 0.000 1.077 226 M CB -0.548 31.989 32.600 -0.105 0.000 1.477 226 M HN 0.345 nan 8.290 nan 0.000 0.529 227 E N -0.159 119.795 120.200 -0.411 0.000 2.385 227 E HA -0.068 4.280 4.350 -0.004 0.000 0.194 227 E C -0.157 176.175 176.600 -0.446 0.000 1.013 227 E CA 0.168 56.264 56.400 -0.505 0.000 0.866 227 E CB -0.284 28.947 29.700 -0.782 0.000 0.832 227 E HN 0.401 nan 8.360 nan 0.000 0.500 228 F N 2.235 122.209 119.950 0.040 0.000 2.451 228 F HA 0.248 4.773 4.527 -0.004 0.000 0.356 228 F C -0.168 175.689 175.800 0.095 0.000 1.178 228 F CA -0.811 57.239 58.000 0.084 0.000 1.210 228 F CB 0.892 39.942 39.000 0.084 0.000 1.504 228 F HN -0.278 nan 8.300 nan 0.000 0.598 229 V N 3.161 123.215 119.914 0.234 0.000 2.348 229 V HA 0.138 4.256 4.120 -0.004 0.000 0.270 229 V C 0.156 176.361 176.094 0.185 0.000 1.037 229 V CA -0.701 61.699 62.300 0.167 0.000 0.872 229 V CB 1.152 33.069 31.823 0.158 0.000 1.002 229 V HN 0.620 nan 8.190 nan 0.000 0.464 230 Q N 3.642 123.544 119.800 0.171 0.000 2.304 230 Q HA 0.298 4.636 4.340 -0.004 0.000 0.260 230 Q C -1.488 174.615 176.000 0.172 0.000 0.965 230 Q CA -0.267 55.654 55.803 0.197 0.000 0.898 230 Q CB 0.696 29.561 28.738 0.213 0.000 1.196 230 Q HN 0.672 nan 8.270 nan 0.000 0.402 231 Y N 1.780 122.079 120.300 -0.002 0.000 2.419 231 Y HA 0.247 4.795 4.550 -0.003 0.000 0.328 231 Y C 0.033 175.925 175.900 -0.014 0.000 1.162 231 Y CA -0.609 57.474 58.100 -0.029 0.000 1.174 231 Y CB 1.289 39.682 38.460 -0.110 0.000 1.228 231 Y HN 0.591 nan 8.280 nan 0.000 0.473 232 H N 5.191 124.254 119.070 -0.012 0.000 2.459 232 H HA 0.216 4.770 4.556 -0.004 0.000 0.332 232 H C -1.920 173.360 175.328 -0.081 0.000 1.094 232 H CA -2.458 53.505 56.048 -0.141 0.000 1.224 232 H CB 2.376 31.883 29.762 -0.426 0.000 1.449 232 H HN 0.394 nan 8.280 nan 0.000 0.484 233 P HA -0.110 nan 4.420 nan 0.000 0.216 233 P C 0.317 177.610 177.300 -0.011 0.000 1.150 233 P CA 1.027 64.061 63.100 -0.110 0.000 0.837 233 P CB 0.187 31.794 31.700 -0.155 0.000 0.786 234 T N -2.106 112.549 114.554 0.168 0.000 2.893 234 T HA 0.695 5.043 4.350 -0.004 0.000 0.324 234 T C 0.087 174.815 174.700 0.046 0.000 1.082 234 T CA -0.772 61.394 62.100 0.110 0.000 0.983 234 T CB 1.199 70.131 68.868 0.107 0.000 1.005 234 T HN 0.084 nan 8.240 nan 0.000 0.475 235 G N 2.847 111.614 108.800 -0.054 0.000 2.563 235 G HA2 0.626 4.584 3.960 -0.004 0.000 0.302 235 G HA3 0.626 4.584 3.960 -0.004 0.000 0.302 235 G C -0.719 174.111 174.900 -0.116 0.000 1.301 235 G CA -1.180 43.855 45.100 -0.109 0.000 0.965 235 G HN 0.812 nan 8.290 nan 0.000 0.480 236 L N 2.257 123.417 121.223 -0.104 0.000 2.439 236 L HA 0.276 4.614 4.340 -0.004 0.000 0.269 236 L C -1.541 175.245 176.870 -0.140 0.000 1.179 236 L CA -1.443 53.345 54.840 -0.087 0.000 0.828 236 L CB 1.114 43.147 42.059 -0.043 0.000 1.106 236 L HN 0.300 nan 8.230 nan 0.000 0.467 237 P HA 0.068 nan 4.420 nan 0.000 0.272 237 P C 0.624 177.807 177.300 -0.195 0.000 1.223 237 P CA 0.595 63.566 63.100 -0.214 0.000 0.784 237 P CB 1.263 32.869 31.700 -0.157 0.000 0.923 238 G N 2.331 110.945 108.800 -0.310 0.000 5.229 238 G HA2 -0.401 3.557 3.960 -0.004 0.000 0.250 238 G HA3 -0.401 3.557 3.960 -0.004 0.000 0.250 238 G C 1.506 176.369 174.900 -0.061 0.000 1.380 238 G CA 1.110 46.120 45.100 -0.151 0.000 0.933 238 G HN 0.657 nan 8.290 nan 0.000 0.731 239 S N 0.884 116.538 115.700 -0.076 0.000 2.368 239 S HA 0.245 4.713 4.470 -0.004 0.000 0.225 239 S C 2.875 177.427 174.600 -0.080 0.000 1.030 239 S CA 2.281 60.424 58.200 -0.094 0.000 0.999 239 S CB -0.742 62.351 63.200 -0.180 0.000 0.844 239 S HN 2.760 nan 8.310 nan 0.000 0.459 240 G N 1.184 109.918 108.800 -0.110 0.000 2.184 240 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.264 240 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.264 240 G C 0.136 174.971 174.900 -0.108 0.000 0.975 240 G CA 0.243 45.284 45.100 -0.098 0.000 0.642 240 G HN 0.659 nan 8.290 nan 0.000 0.536 241 I N 0.998 121.488 120.570 -0.134 0.000 2.845 241 I HA 0.122 4.290 4.170 -0.004 0.000 0.296 241 I C 1.081 177.104 176.117 -0.157 0.000 1.216 241 I CA -0.452 60.758 61.300 -0.151 0.000 1.438 241 I CB 0.490 38.370 38.000 -0.200 0.000 1.342 241 I HN 0.225 nan 8.210 nan 0.000 0.577 242 L N 8.132 129.242 121.223 -0.188 0.000 2.360 242 L HA 0.254 4.591 4.340 -0.004 0.000 0.276 242 L C -0.220 176.488 176.870 -0.270 0.000 1.121 242 L CA 0.187 54.852 54.840 -0.291 0.000 0.845 242 L CB 0.724 42.559 42.059 -0.373 0.000 1.143 242 L HN 0.540 nan 8.230 nan 0.000 0.452 243 M N 5.249 124.708 119.600 -0.236 0.000 2.495 243 M HA 0.232 4.710 4.480 -0.004 0.000 0.346 243 M C 0.363 176.601 176.300 -0.104 0.000 1.251 243 M CA 0.101 55.322 55.300 -0.131 0.000 1.249 243 M CB 0.286 32.858 32.600 -0.047 0.000 1.229 243 M HN 0.896 nan 8.290 nan 0.000 0.450 244 T N 0.819 115.306 114.554 -0.112 0.000 2.770 244 T HA -0.197 4.151 4.350 -0.004 0.000 0.287 244 T C 1.264 176.037 174.700 0.122 0.000 1.025 244 T CA 1.280 63.391 62.100 0.017 0.000 1.143 244 T CB 0.371 69.291 68.868 0.086 0.000 1.077 244 T HN 0.865 nan 8.240 nan 0.000 0.476 245 E N 2.515 122.855 120.200 0.233 0.000 2.265 245 E HA -0.090 4.258 4.350 -0.004 0.000 0.196 245 E C 2.180 178.733 176.600 -0.077 0.000 0.996 245 E CA 1.242 57.685 56.400 0.071 0.000 0.832 245 E CB -0.909 28.772 29.700 -0.032 0.000 0.756 245 E HN 0.928 nan 8.360 nan 0.000 0.491 246 G N 0.757 109.561 108.800 0.008 0.000 2.507 246 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.221 246 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.221 246 G C 1.631 176.514 174.900 -0.028 0.000 1.119 246 G CA 1.049 46.139 45.100 -0.017 0.000 0.751 246 G HN 0.446 nan 8.290 nan 0.000 0.574 247 C N -0.031 119.269 119.300 0.000 0.000 2.403 247 C HA -0.043 4.415 4.460 -0.004 0.000 0.279 247 C C 2.925 177.900 174.990 -0.024 0.000 1.269 247 C CA 1.045 60.059 59.018 -0.006 0.000 1.774 247 C CB -0.834 26.912 27.740 0.009 0.000 1.993 247 C HN 0.501 nan 8.230 nan 0.000 0.496 248 R N 0.097 120.571 120.500 -0.043 0.000 2.140 248 R HA 0.064 4.402 4.340 -0.004 0.000 0.213 248 R C 2.511 178.765 176.300 -0.076 0.000 1.059 248 R CA 1.016 57.086 56.100 -0.050 0.000 1.000 248 R CB -0.588 29.677 30.300 -0.058 0.000 0.910 248 R HN 0.552 nan 8.270 nan 0.000 0.455 249 G N 1.342 110.064 108.800 -0.129 0.000 2.470 249 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.220 249 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.220 249 G C 1.109 175.957 174.900 -0.086 0.000 1.121 249 G CA 0.503 45.511 45.100 -0.153 0.000 0.766 249 G HN 0.177 nan 8.290 nan 0.000 0.553 250 E N -0.003 120.162 120.200 -0.058 0.000 2.463 250 E HA 0.199 4.546 4.350 -0.004 0.000 0.193 250 E C 1.613 178.203 176.600 -0.018 0.000 1.041 250 E CA 0.462 56.842 56.400 -0.034 0.000 0.879 250 E CB 0.197 29.880 29.700 -0.029 0.000 0.997 250 E HN 0.415 nan 8.360 nan 0.000 0.478 251 G N 1.035 109.831 108.800 -0.008 0.000 2.131 251 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.223 251 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.223 251 G C 0.627 175.584 174.900 0.095 0.000 0.990 251 G CA -0.149 44.973 45.100 0.038 0.000 0.671 251 G HN 0.461 nan 8.290 nan 0.000 0.521 252 G N -0.063 108.761 108.800 0.040 0.000 2.544 252 G HA2 0.664 4.622 3.960 -0.004 0.000 0.242 252 G HA3 0.664 4.622 3.960 -0.004 0.000 0.242 252 G C 0.346 175.293 174.900 0.079 0.000 1.247 252 G CA 0.151 45.286 45.100 0.058 0.000 0.840 252 G HN 1.523 nan 8.290 nan 0.000 0.578 253 I N -1.722 118.916 120.570 0.114 0.000 2.892 253 I HA 0.714 4.882 4.170 -0.004 0.000 0.306 253 I C -1.003 175.125 176.117 0.018 0.000 1.078 253 I CA -1.404 59.917 61.300 0.035 0.000 1.032 253 I CB 2.390 40.392 38.000 0.004 0.000 1.229 253 I HN 0.238 nan 8.210 nan 0.000 0.435 254 L N 5.198 126.372 121.223 -0.082 0.000 2.319 254 L HA 0.688 5.026 4.340 -0.004 0.000 0.281 254 L C -0.470 176.274 176.870 -0.210 0.000 1.005 254 L CA -0.864 53.917 54.840 -0.099 0.000 0.828 254 L CB 1.800 43.743 42.059 -0.192 0.000 1.227 254 L HN 0.629 nan 8.230 nan 0.000 0.415 255 V N 0.155 120.104 119.914 0.058 0.000 2.914 255 V HA 0.691 4.809 4.120 -0.004 0.000 0.314 255 V C -0.562 175.762 176.094 0.383 0.000 1.084 255 V CA -0.776 61.609 62.300 0.143 0.000 0.963 255 V CB 1.890 33.798 31.823 0.142 0.000 1.025 255 V HN 0.790 nan 8.190 nan 0.000 0.432 256 N N 2.174 121.124 118.700 0.417 0.000 2.593 256 N HA 0.305 5.043 4.740 -0.004 0.000 0.304 256 N C 0.753 176.445 175.510 0.303 0.000 1.296 256 N CA -0.348 52.923 53.050 0.368 0.000 0.950 256 N CB 0.195 38.880 38.487 0.330 0.000 1.127 256 N HN 0.867 nan 8.380 nan 0.000 0.587 257 K N -1.531 119.006 120.400 0.228 0.000 2.519 257 K HA 0.015 4.332 4.320 -0.004 0.000 0.196 257 K C -0.145 176.550 176.600 0.157 0.000 1.041 257 K CA 1.005 57.411 56.287 0.198 0.000 0.954 257 K CB -0.332 32.247 32.500 0.132 0.000 0.774 257 K HN 0.344 nan 8.250 nan 0.000 0.480 258 N N 0.470 119.275 118.700 0.175 0.000 2.187 258 N HA 0.066 4.804 4.740 -0.004 0.000 0.212 258 N C 0.365 175.973 175.510 0.163 0.000 1.152 258 N CA 0.697 53.831 53.050 0.140 0.000 0.872 258 N CB 1.305 39.862 38.487 0.117 0.000 1.025 258 N HN 0.488 nan 8.380 nan 0.000 0.514 259 G N 1.202 110.112 108.800 0.184 0.000 2.153 259 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.252 259 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.252 259 G C -0.317 174.699 174.900 0.193 0.000 0.994 259 G CA 0.199 45.390 45.100 0.151 0.000 0.698 259 G HN 0.453 nan 8.290 nan 0.000 0.521 260 Y N 1.316 121.673 120.300 0.094 0.000 2.327 260 Y HA 0.576 5.124 4.550 -0.003 0.000 0.336 260 Y C 1.099 177.053 175.900 0.090 0.000 1.035 260 Y CA -1.765 56.386 58.100 0.084 0.000 1.165 260 Y CB 0.603 39.123 38.460 0.100 0.000 1.181 260 Y HN 0.161 nan 8.280 nan 0.000 0.494 261 R N 7.048 127.232 120.500 -0.527 0.000 4.154 261 R HA -0.028 4.310 4.340 -0.004 0.000 0.186 261 R C 0.533 176.375 176.300 -0.764 0.000 1.750 261 R CA 0.036 55.804 56.100 -0.553 0.000 1.431 261 R CB -0.727 29.361 30.300 -0.354 0.000 1.383 261 R HN 0.863 nan 8.270 nan 0.000 0.788 262 Y N -0.734 119.267 120.300 -0.498 0.000 2.271 262 Y HA -0.300 4.247 4.550 -0.004 0.000 0.284 262 Y C 1.261 177.193 175.900 0.053 0.000 1.189 262 Y CA 1.055 59.025 58.100 -0.216 0.000 1.229 262 Y CB -0.634 37.913 38.460 0.144 0.000 0.973 262 Y HN 0.292 nan 8.280 nan 0.000 0.537 263 L N 1.196 122.401 121.223 -0.031 0.000 2.447 263 L HA -0.238 4.099 4.340 -0.004 0.000 0.225 263 L C 2.664 179.635 176.870 0.168 0.000 1.148 263 L CA 1.798 56.763 54.840 0.208 0.000 0.808 263 L CB -0.735 41.304 42.059 -0.034 0.000 0.928 263 L HN 0.560 nan 8.230 nan 0.000 0.448 264 Q N -1.349 118.462 119.800 0.017 0.000 2.389 264 Q HA -0.130 4.208 4.340 -0.004 0.000 0.204 264 Q C 0.868 176.875 176.000 0.011 0.000 0.944 264 Q CA 0.981 56.797 55.803 0.022 0.000 0.908 264 Q CB -0.097 28.631 28.738 -0.016 0.000 1.002 264 Q HN 0.330 nan 8.270 nan 0.000 0.493 265 D N 0.265 120.617 120.400 -0.079 0.000 2.317 265 D HA -0.041 4.597 4.640 -0.004 0.000 0.211 265 D C -0.184 175.813 176.300 -0.505 0.000 0.966 265 D CA 0.726 54.527 54.000 -0.331 0.000 0.876 265 D CB 0.152 40.604 40.800 -0.580 0.000 0.927 265 D HN 0.426 nan 8.370 nan 0.000 0.519 266 Y N -0.839 119.546 120.300 0.142 0.000 2.781 266 Y HA 0.417 4.965 4.550 -0.003 0.000 0.326 266 Y C 1.591 177.554 175.900 0.106 0.000 1.019 266 Y CA -0.469 57.712 58.100 0.134 0.000 1.372 266 Y CB 0.693 39.278 38.460 0.208 0.000 1.260 266 Y HN -0.056 nan 8.280 nan 0.000 0.546 267 G N 0.427 109.316 108.800 0.148 0.000 2.184 267 G HA2 -0.352 3.606 3.960 -0.004 0.000 0.264 267 G HA3 -0.352 3.606 3.960 -0.004 0.000 0.264 267 G C 0.592 175.567 174.900 0.125 0.000 0.975 267 G CA 0.498 45.671 45.100 0.122 0.000 0.642 267 G HN 0.478 nan 8.290 nan 0.000 0.536 268 M N 1.284 120.975 119.600 0.151 0.000 2.637 268 M HA 0.370 4.848 4.480 -0.004 0.000 0.286 268 M C 1.384 177.811 176.300 0.212 0.000 1.246 268 M CA 0.521 55.908 55.300 0.145 0.000 0.978 268 M CB 0.651 33.328 32.600 0.127 0.000 1.417 268 M HN 0.301 nan 8.290 nan 0.000 0.487 269 G N 0.963 109.874 108.800 0.184 0.000 2.557 269 G HA2 0.631 4.589 3.960 -0.004 0.000 0.302 269 G HA3 0.631 4.589 3.960 -0.004 0.000 0.302 269 G C -2.630 172.376 174.900 0.177 0.000 1.311 269 G CA -0.989 44.197 45.100 0.144 0.000 1.030 269 G HN 0.075 nan 8.290 nan 0.000 0.509 270 P HA 0.202 nan 4.420 nan 0.000 0.276 270 P C -0.326 176.934 177.300 -0.067 0.000 1.261 270 P CA -0.478 62.605 63.100 -0.029 0.000 0.800 270 P CB 1.043 32.708 31.700 -0.058 0.000 1.066 271 E N 0.258 120.430 120.200 -0.048 0.000 2.452 271 E HA 0.069 4.417 4.350 -0.004 0.000 0.261 271 E C -0.164 176.381 176.600 -0.092 0.000 0.987 271 E CA -0.095 56.268 56.400 -0.061 0.000 0.926 271 E CB 0.275 29.948 29.700 -0.045 0.000 0.934 271 E HN 0.436 nan 8.360 nan 0.000 0.452 272 T N 2.601 117.102 114.554 -0.089 0.000 2.882 272 T HA 0.428 4.776 4.350 -0.004 0.000 0.287 272 T C -2.392 172.264 174.700 -0.074 0.000 0.992 272 T CA -1.937 60.106 62.100 -0.095 0.000 1.076 272 T CB 1.286 70.112 68.868 -0.069 0.000 0.961 272 T HN 0.265 nan 8.240 nan 0.000 0.490 273 P HA 0.181 nan 4.420 nan 0.000 0.268 273 P C 1.160 178.426 177.300 -0.057 0.000 1.204 273 P CA -0.436 62.629 63.100 -0.059 0.000 0.768 273 P CB 0.423 32.094 31.700 -0.049 0.000 0.842 274 L N 1.917 123.095 121.223 -0.075 0.000 2.103 274 L HA -0.283 4.055 4.340 -0.004 0.000 0.215 274 L C 2.360 179.218 176.870 -0.020 0.000 1.080 274 L CA 2.158 56.944 54.840 -0.090 0.000 0.764 274 L CB -0.953 41.011 42.059 -0.158 0.000 0.890 274 L HN 0.634 nan 8.230 nan 0.000 0.435 275 G N -0.437 108.353 108.800 -0.017 0.000 2.575 275 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.215 275 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.215 275 G C 0.204 175.104 174.900 -0.001 0.000 1.262 275 G CA 0.238 45.338 45.100 0.001 0.000 0.807 275 G HN 0.362 nan 8.290 nan 0.000 0.567 276 E N 1.589 121.781 120.200 -0.014 0.000 2.070 276 E HA 0.432 4.780 4.350 -0.004 0.000 0.261 276 E C -2.470 174.119 176.600 -0.019 0.000 0.926 276 E CA -1.730 54.660 56.400 -0.015 0.000 0.760 276 E CB 1.696 31.385 29.700 -0.019 0.000 1.133 276 E HN 0.193 nan 8.360 nan 0.000 0.420 277 P HA 0.130 nan 4.420 nan 0.000 0.274 277 P C -0.705 176.598 177.300 0.004 0.000 1.231 277 P CA -0.477 62.619 63.100 -0.007 0.000 0.790 277 P CB 0.714 32.408 31.700 -0.010 0.000 0.951 278 K N 2.009 122.433 120.400 0.039 0.000 2.378 278 K HA 0.234 4.551 4.320 -0.004 0.000 0.252 278 K C -0.217 176.454 176.600 0.117 0.000 0.931 278 K CA -0.793 55.544 56.287 0.084 0.000 0.794 278 K CB 1.212 33.784 32.500 0.119 0.000 1.181 278 K HN 0.454 nan 8.250 nan 0.000 0.425 279 N N 3.027 121.764 118.700 0.062 0.000 2.407 279 N HA -0.078 4.660 4.740 -0.004 0.000 0.250 279 N C -0.526 174.975 175.510 -0.014 0.000 1.236 279 N CA 0.700 53.752 53.050 0.005 0.000 0.879 279 N CB 0.400 38.876 38.487 -0.018 0.000 1.088 279 N HN 0.683 nan 8.380 nan 0.000 0.450 280 K N 0.444 120.781 120.400 -0.105 0.000 3.609 280 K HA -0.219 4.098 4.320 -0.004 0.000 0.277 280 K C -1.015 175.337 176.600 -0.413 0.000 1.196 280 K CA 1.323 57.450 56.287 -0.267 0.000 1.022 280 K CB -1.869 30.407 32.500 -0.373 0.000 1.292 280 K HN 0.633 nan 8.250 nan 0.000 0.484 281 Y N 0.386 120.672 120.300 -0.024 0.000 2.567 281 Y HA 0.433 4.981 4.550 -0.003 0.000 0.333 281 Y C 1.922 177.803 175.900 -0.031 0.000 1.106 281 Y CA -1.137 56.950 58.100 -0.020 0.000 1.157 281 Y CB 0.637 39.085 38.460 -0.021 0.000 1.277 281 Y HN -0.199 nan 8.280 nan 0.000 0.490 282 M N -0.295 119.413 119.600 0.180 0.000 7.319 282 M HA -0.432 4.046 4.480 -0.004 0.000 0.351 282 M C 1.510 177.812 176.300 0.005 0.000 0.480 282 M CA 1.735 57.069 55.300 0.056 0.000 1.311 282 M CB -1.499 31.107 32.600 0.011 0.000 0.421 282 M HN 0.862 nan 8.290 nan 0.000 1.072 283 E N 0.403 120.582 120.200 -0.035 0.000 2.331 283 E HA -0.056 4.292 4.350 -0.004 0.000 0.199 283 E C 1.240 177.813 176.600 -0.046 0.000 1.008 283 E CA 0.961 57.331 56.400 -0.050 0.000 0.843 283 E CB -0.256 29.412 29.700 -0.055 0.000 0.761 283 E HN 0.475 nan 8.360 nan 0.000 0.507 284 L N -0.233 120.970 121.223 -0.033 0.000 3.094 284 L HA 0.345 4.683 4.340 -0.004 0.000 0.254 284 L C 0.859 177.693 176.870 -0.060 0.000 1.298 284 L CA -0.736 54.069 54.840 -0.058 0.000 1.050 284 L CB 0.381 42.406 42.059 -0.057 0.000 1.420 284 L HN 0.011 nan 8.230 nan 0.000 0.548 285 G N -0.043 108.728 108.800 -0.049 0.000 2.537 285 G HA2 0.419 4.377 3.960 -0.004 0.000 0.297 285 G HA3 0.419 4.377 3.960 -0.004 0.000 0.297 285 G C -2.559 172.300 174.900 -0.069 0.000 1.310 285 G CA -1.310 43.752 45.100 -0.064 0.000 1.027 285 G HN -0.021 nan 8.290 nan 0.000 0.505 286 P HA -0.001 nan 4.420 nan 0.000 0.258 286 P C 1.055 178.316 177.300 -0.064 0.000 1.172 286 P CA -0.034 63.028 63.100 -0.062 0.000 0.762 286 P CB 0.695 32.367 31.700 -0.046 0.000 0.764 287 R N 4.847 125.297 120.500 -0.082 0.000 2.162 287 R HA -0.286 4.052 4.340 -0.004 0.000 0.245 287 R C 0.992 177.233 176.300 -0.099 0.000 1.129 287 R CA 2.495 58.532 56.100 -0.105 0.000 0.940 287 R CB -0.721 29.514 30.300 -0.108 0.000 0.875 287 R HN 0.472 nan 8.270 nan 0.000 0.437 288 D N 0.380 120.725 120.400 -0.091 0.000 2.116 288 D HA -0.199 4.439 4.640 -0.004 0.000 0.193 288 D C 1.927 178.154 176.300 -0.121 0.000 0.998 288 D CA 1.634 55.562 54.000 -0.119 0.000 0.836 288 D CB -0.207 40.531 40.800 -0.104 0.000 0.951 288 D HN 0.444 nan 8.370 nan 0.000 0.449 289 K N 0.597 120.961 120.400 -0.061 0.000 2.063 289 K HA -0.099 4.219 4.320 -0.004 0.000 0.208 289 K C 2.336 178.928 176.600 -0.013 0.000 1.048 289 K CA 0.706 56.985 56.287 -0.013 0.000 0.928 289 K CB -0.124 32.397 32.500 0.035 0.000 0.713 289 K HN 0.033 nan 8.250 nan 0.000 0.442 290 V N 0.978 120.886 119.914 -0.010 0.000 2.515 290 V HA -0.196 3.922 4.120 -0.004 0.000 0.250 290 V C 2.062 178.172 176.094 0.026 0.000 1.058 290 V CA 1.753 64.074 62.300 0.035 0.000 1.064 290 V CB -0.229 31.596 31.823 0.003 0.000 0.675 290 V HN 0.236 nan 8.190 nan 0.000 0.461 291 S N -0.706 114.957 115.700 -0.062 0.000 2.395 291 S HA -0.145 4.323 4.470 -0.004 0.000 0.225 291 S C 1.983 176.505 174.600 -0.131 0.000 1.027 291 S CA 0.930 59.079 58.200 -0.086 0.000 0.965 291 S CB -0.161 62.943 63.200 -0.160 0.000 0.812 291 S HN 0.652 nan 8.310 nan 0.000 0.482 292 Q N 1.170 120.819 119.800 -0.251 0.000 2.119 292 Q HA 0.009 4.346 4.340 -0.004 0.000 0.201 292 Q C 2.504 178.182 176.000 -0.536 0.000 0.972 292 Q CA 1.219 56.760 55.803 -0.436 0.000 0.847 292 Q CB -0.413 28.108 28.738 -0.361 0.000 0.903 292 Q HN 0.572 nan 8.270 nan 0.000 0.433 293 A N 0.969 123.597 122.820 -0.320 0.000 1.927 293 A HA -0.254 4.064 4.320 -0.004 0.000 0.220 293 A C 1.878 179.215 177.584 -0.412 0.000 1.185 293 A CA 1.546 53.323 52.037 -0.434 0.000 0.639 293 A CB -0.946 18.037 19.000 -0.029 0.000 0.820 293 A HN 0.488 nan 8.150 nan 0.000 0.451 294 F N -0.643 119.133 119.950 -0.289 0.000 2.069 294 F HA -0.239 4.286 4.527 -0.003 0.000 0.298 294 F C 2.241 177.998 175.800 -0.071 0.000 1.113 294 F CA 2.187 60.056 58.000 -0.218 0.000 1.214 294 F CB -0.392 38.557 39.000 -0.086 0.000 0.978 294 F HN 0.527 nan 8.300 nan 0.000 0.474 295 W N 1.210 122.447 121.300 -0.105 0.000 2.318 295 W HA -0.265 4.393 4.660 -0.004 0.000 0.313 295 W C 2.544 179.064 176.519 0.001 0.000 1.221 295 W CA 2.439 59.776 57.345 -0.014 0.000 1.266 295 W CB -0.918 28.555 29.460 0.021 0.000 1.150 295 W HN 0.250 nan 8.180 nan 0.000 0.496 296 H N 0.140 119.348 119.070 0.230 0.000 2.353 296 H HA -0.111 4.443 4.556 -0.003 0.000 0.300 296 H C 2.076 177.398 175.328 -0.010 0.000 1.090 296 H CA 1.602 57.714 56.048 0.105 0.000 1.327 296 H CB -0.756 28.963 29.762 -0.072 0.000 1.383 296 H HN 0.163 nan 8.280 nan 0.000 0.508 297 E N 0.131 120.287 120.200 -0.073 0.000 2.077 297 E HA -0.167 4.180 4.350 -0.004 0.000 0.193 297 E C 2.180 178.644 176.600 -0.227 0.000 0.989 297 E CA 0.459 56.750 56.400 -0.183 0.000 0.800 297 E CB -0.495 28.901 29.700 -0.505 0.000 0.746 297 E HN 0.514 nan 8.360 nan 0.000 0.452 298 W N 2.128 123.129 121.300 -0.498 0.000 2.338 298 W HA -0.170 4.488 4.660 -0.003 0.000 0.304 298 W C 2.184 178.530 176.519 -0.288 0.000 1.212 298 W CA 1.735 58.785 57.345 -0.491 0.000 1.264 298 W CB -0.125 28.938 29.460 -0.661 0.000 1.142 298 W HN -0.057 nan 8.180 nan 0.000 0.512 299 R N -0.011 120.293 120.500 -0.327 0.000 2.115 299 R HA -0.082 4.256 4.340 -0.004 0.000 0.230 299 R C 2.087 178.183 176.300 -0.341 0.000 1.111 299 R CA 1.477 57.326 56.100 -0.419 0.000 0.976 299 R CB -0.353 29.913 30.300 -0.055 0.000 0.870 299 R HN 0.138 nan 8.270 nan 0.000 0.445 300 K N -0.500 119.779 120.400 -0.201 0.000 2.439 300 K HA 0.023 4.341 4.320 -0.004 0.000 0.197 300 K C 0.801 177.283 176.600 -0.197 0.000 1.041 300 K CA 0.711 56.913 56.287 -0.141 0.000 0.970 300 K CB 0.350 32.828 32.500 -0.038 0.000 0.773 300 K HN 0.386 nan 8.250 nan 0.000 0.479 301 G N 1.746 110.355 108.800 -0.318 0.000 2.149 301 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.235 301 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.235 301 G C 0.236 175.034 174.900 -0.169 0.000 1.018 301 G CA 0.121 45.048 45.100 -0.289 0.000 0.728 301 G HN 0.238 nan 8.290 nan 0.000 0.508 302 N N 0.298 118.908 118.700 -0.150 0.000 2.336 302 N HA 0.127 4.864 4.740 -0.004 0.000 0.189 302 N C 1.187 176.666 175.510 -0.051 0.000 1.113 302 N CA 1.109 54.124 53.050 -0.058 0.000 0.858 302 N CB 0.385 38.867 38.487 -0.008 0.000 0.970 302 N HN 0.782 nan 8.380 nan 0.000 0.471 303 T N -1.129 113.361 114.554 -0.107 0.000 2.875 303 T HA 0.566 4.914 4.350 -0.004 0.000 0.284 303 T C 0.457 175.162 174.700 0.008 0.000 0.995 303 T CA -0.786 61.277 62.100 -0.061 0.000 1.060 303 T CB 1.374 70.181 68.868 -0.102 0.000 0.967 303 T HN -0.183 nan 8.240 nan 0.000 0.476 304 I N 2.097 122.689 120.570 0.036 0.000 2.720 304 I HA 0.351 4.519 4.170 -0.004 0.000 0.287 304 I C 0.912 177.061 176.117 0.054 0.000 1.090 304 I CA 0.006 61.346 61.300 0.067 0.000 1.384 304 I CB 1.020 39.092 38.000 0.120 0.000 1.420 304 I HN 0.732 nan 8.210 nan 0.000 0.575 305 S N 2.905 118.644 115.700 0.065 0.000 2.433 305 S HA 0.680 5.147 4.470 -0.004 0.000 0.310 305 S C -0.219 174.416 174.600 0.059 0.000 1.097 305 S CA -0.504 57.733 58.200 0.062 0.000 1.103 305 S CB 0.130 63.364 63.200 0.057 0.000 0.992 305 S HN 0.823 nan 8.310 nan 0.000 0.469 306 T N 2.575 117.157 114.554 0.046 0.000 2.940 306 T HA 0.616 4.963 4.350 -0.004 0.000 0.288 306 T C -2.283 172.438 174.700 0.035 0.000 1.045 306 T CA -1.812 60.315 62.100 0.044 0.000 1.018 306 T CB 1.026 69.914 68.868 0.034 0.000 1.151 306 T HN 0.297 nan 8.240 nan 0.000 0.529 307 P HA 0.171 nan 4.420 nan 0.000 0.230 307 P C 0.870 178.184 177.300 0.023 0.000 1.158 307 P CA 0.518 63.637 63.100 0.032 0.000 0.769 307 P CB 0.124 31.845 31.700 0.034 0.000 0.807 308 R N -0.950 119.555 120.500 0.008 0.000 2.468 308 R HA 0.434 4.771 4.340 -0.004 0.000 0.280 308 R C 0.496 176.763 176.300 -0.055 0.000 0.963 308 R CA 0.185 56.272 56.100 -0.020 0.000 1.083 308 R CB 0.358 30.636 30.300 -0.037 0.000 1.200 308 R HN 0.138 nan 8.270 nan 0.000 0.541 309 G N 0.718 109.506 108.800 -0.019 0.000 2.497 309 G HA2 -0.163 3.795 3.960 -0.004 0.000 0.686 309 G HA3 -0.163 3.795 3.960 -0.004 0.000 0.686 309 G C -1.427 173.480 174.900 0.012 0.000 1.288 309 G CA -1.101 43.987 45.100 -0.019 0.000 0.899 309 G HN 0.125 nan 8.290 nan 0.000 0.608 310 D N -0.501 119.935 120.400 0.060 0.000 2.443 310 D HA 0.393 5.030 4.640 -0.004 0.000 0.239 310 D C 0.447 176.846 176.300 0.166 0.000 1.136 310 D CA 0.697 54.778 54.000 0.136 0.000 0.879 310 D CB 1.802 42.755 40.800 0.254 0.000 1.195 310 D HN 0.490 nan 8.370 nan 0.000 0.443 311 V N 0.972 120.960 119.914 0.123 0.000 3.178 311 V HA 0.290 4.408 4.120 -0.004 0.000 0.302 311 V C 0.427 176.540 176.094 0.032 0.000 1.262 311 V CA -0.886 61.473 62.300 0.099 0.000 1.030 311 V CB 2.151 33.888 31.823 -0.143 0.000 1.074 311 V HN 0.487 nan 8.190 nan 0.000 0.438 312 V N -0.413 119.564 119.914 0.105 0.000 3.547 312 V HA 0.736 4.854 4.120 -0.004 0.000 0.289 312 V C -1.409 174.585 176.094 -0.168 0.000 1.226 312 V CA -0.702 61.650 62.300 0.086 0.000 0.966 312 V CB 1.608 33.660 31.823 0.383 0.000 1.255 312 V HN 0.681 nan 8.190 nan 0.000 0.466 313 Y N -0.224 120.208 120.300 0.220 0.000 2.396 313 Y HA 0.675 5.223 4.550 -0.003 0.000 0.332 313 Y C -0.606 175.362 175.900 0.113 0.000 1.034 313 Y CA -0.729 57.456 58.100 0.143 0.000 1.057 313 Y CB 2.045 40.576 38.460 0.119 0.000 1.220 313 Y HN 0.622 nan 8.280 nan 0.000 0.440 314 L N 4.463 125.856 121.223 0.283 0.000 2.407 314 L HA 0.431 4.769 4.340 -0.004 0.000 0.261 314 L C -0.649 176.315 176.870 0.157 0.000 1.108 314 L CA -0.236 54.706 54.840 0.171 0.000 0.995 314 L CB -0.175 41.952 42.059 0.114 0.000 1.349 314 L HN 0.565 nan 8.230 nan 0.000 0.423 315 D N 2.246 122.740 120.400 0.158 0.000 2.312 315 D HA 0.238 4.876 4.640 -0.004 0.000 0.252 315 D C 0.664 177.012 176.300 0.079 0.000 1.150 315 D CA 0.136 54.200 54.000 0.108 0.000 0.870 315 D CB 0.942 41.803 40.800 0.101 0.000 1.153 315 D HN 0.556 nan 8.370 nan 0.000 0.457 316 L N 3.405 124.605 121.223 -0.039 0.000 2.858 316 L HA 0.259 4.597 4.340 -0.004 0.000 0.251 316 L C 2.215 178.884 176.870 -0.334 0.000 1.149 316 L CA -0.456 54.240 54.840 -0.240 0.000 0.955 316 L CB 0.001 41.969 42.059 -0.151 0.000 1.289 316 L HN 0.394 nan 8.230 nan 0.000 0.542 317 R N 0.966 121.390 120.500 -0.127 0.000 2.224 317 R HA -0.260 4.077 4.340 -0.004 0.000 0.251 317 R C 1.645 177.887 176.300 -0.098 0.000 1.123 317 R CA 2.364 58.425 56.100 -0.064 0.000 0.944 317 R CB -0.933 29.383 30.300 0.026 0.000 0.910 317 R HN 0.580 nan 8.270 nan 0.000 0.440 318 H N 0.430 119.489 119.070 -0.018 0.000 2.696 318 H HA 0.124 4.678 4.556 -0.004 0.000 0.288 318 H C 0.324 175.639 175.328 -0.021 0.000 1.096 318 H CA 0.255 56.293 56.048 -0.018 0.000 1.202 318 H CB -0.720 29.032 29.762 -0.017 0.000 1.279 318 H HN 0.158 nan 8.280 nan 0.000 0.630 319 L N 0.266 121.308 121.223 -0.301 0.000 2.358 319 L HA 0.483 4.821 4.340 -0.004 0.000 0.268 319 L C 0.855 177.657 176.870 -0.114 0.000 1.032 319 L CA -1.005 53.703 54.840 -0.220 0.000 0.805 319 L CB 1.672 43.572 42.059 -0.266 0.000 1.253 319 L HN 0.252 nan 8.230 nan 0.000 0.452 320 G N -0.121 108.627 108.800 -0.086 0.000 2.320 320 G HA2 0.258 4.216 3.960 -0.004 0.000 0.300 320 G HA3 0.258 4.216 3.960 -0.004 0.000 0.300 320 G C 0.281 175.129 174.900 -0.087 0.000 1.126 320 G CA -0.298 44.767 45.100 -0.058 0.000 0.896 320 G HN 0.698 nan 8.290 nan 0.000 0.436 321 E N 1.431 121.584 120.200 -0.078 0.000 2.331 321 E HA -0.086 4.262 4.350 -0.004 0.000 0.199 321 E C 2.280 178.866 176.600 -0.024 0.000 1.008 321 E CA 0.655 56.992 56.400 -0.104 0.000 0.843 321 E CB 0.196 29.921 29.700 0.042 0.000 0.761 321 E HN 0.396 nan 8.360 nan 0.000 0.507 322 K N 0.541 120.941 120.400 0.000 0.000 1.984 322 K HA -0.049 4.269 4.320 -0.004 0.000 0.209 322 K C 1.911 178.525 176.600 0.023 0.000 1.046 322 K CA 1.232 57.536 56.287 0.028 0.000 0.934 322 K CB -0.203 32.309 32.500 0.021 0.000 0.717 322 K HN 0.109 nan 8.250 nan 0.000 0.438 323 K N 0.568 120.967 120.400 -0.001 0.000 2.167 323 K HA -0.057 4.260 4.320 -0.004 0.000 0.203 323 K C 2.115 178.705 176.600 -0.017 0.000 1.052 323 K CA 0.243 56.533 56.287 0.006 0.000 0.956 323 K CB -0.167 32.333 32.500 -0.001 0.000 0.735 323 K HN -0.065 nan 8.250 nan 0.000 0.451 324 L N 1.382 122.551 121.223 -0.089 0.000 1.944 324 L HA -0.204 4.134 4.340 -0.004 0.000 0.218 324 L C 1.379 178.166 176.870 -0.139 0.000 1.075 324 L CA 1.951 56.682 54.840 -0.182 0.000 0.767 324 L CB -0.559 41.280 42.059 -0.366 0.000 0.890 324 L HN 0.282 nan 8.230 nan 0.000 0.434 325 H N -0.259 118.824 119.070 0.022 0.000 2.933 325 H HA 0.131 4.685 4.556 -0.004 0.000 0.306 325 H C 0.982 176.328 175.328 0.031 0.000 1.142 325 H CA 0.714 56.777 56.048 0.024 0.000 1.193 325 H CB -0.162 29.607 29.762 0.012 0.000 1.330 325 H HN 0.620 nan 8.280 nan 0.000 0.585 326 E N 0.035 120.307 120.200 0.119 0.000 2.655 326 E HA 0.101 4.449 4.350 -0.004 0.000 0.212 326 E C 0.945 177.613 176.600 0.114 0.000 0.927 326 E CA 0.053 56.515 56.400 0.105 0.000 1.406 326 E CB 0.846 30.597 29.700 0.085 0.000 1.385 326 E HN 0.149 nan 8.360 nan 0.000 0.748 327 R N -0.206 120.357 120.500 0.106 0.000 2.504 327 R HA 0.338 4.676 4.340 -0.004 0.000 0.341 327 R C 0.171 176.539 176.300 0.113 0.000 0.905 327 R CA 0.058 56.233 56.100 0.126 0.000 1.133 327 R CB 1.016 31.387 30.300 0.118 0.000 1.704 327 R HN 0.001 nan 8.270 nan 0.000 0.503 328 L N 1.544 122.820 121.223 0.089 0.000 3.186 328 L HA 0.292 4.630 4.340 -0.004 0.000 0.317 328 L C -2.028 174.912 176.870 0.116 0.000 1.296 328 L CA -0.896 53.993 54.840 0.081 0.000 0.870 328 L CB 1.436 43.505 42.059 0.016 0.000 1.302 328 L HN -0.080 nan 8.230 nan 0.000 0.590 329 P HA -0.105 nan 4.420 nan 0.000 0.215 329 P C 1.682 179.110 177.300 0.212 0.000 1.157 329 P CA 0.673 63.896 63.100 0.205 0.000 0.869 329 P CB 0.308 32.102 31.700 0.156 0.000 0.781 330 F N 1.474 121.447 119.950 0.038 0.000 2.043 330 F HA -0.231 4.294 4.527 -0.004 0.000 0.297 330 F C 2.143 177.965 175.800 0.038 0.000 1.118 330 F CA 1.250 59.262 58.000 0.020 0.000 1.202 330 F CB -1.511 37.495 39.000 0.010 0.000 0.965 330 F HN -0.278 nan 8.300 nan 0.000 0.482 331 I N -0.221 120.504 120.570 0.259 0.000 2.185 331 I HA -0.375 3.792 4.170 -0.004 0.000 0.246 331 I C 2.750 178.941 176.117 0.124 0.000 1.088 331 I CA 1.456 62.824 61.300 0.113 0.000 1.347 331 I CB -1.475 36.563 38.000 0.064 0.000 1.041 331 I HN 0.211 nan 8.210 nan 0.000 0.415 332 C N -0.072 119.310 119.300 0.136 0.000 2.440 332 C HA -0.096 4.362 4.460 -0.004 0.000 0.278 332 C C 2.656 177.705 174.990 0.098 0.000 1.295 332 C CA 0.491 59.576 59.018 0.113 0.000 1.738 332 C CB -1.068 26.760 27.740 0.147 0.000 1.987 332 C HN 0.527 nan 8.230 nan 0.000 0.492 333 E N 0.895 121.165 120.200 0.118 0.000 2.046 333 E HA -0.129 4.218 4.350 -0.004 0.000 0.190 333 E C 2.096 178.722 176.600 0.044 0.000 0.982 333 E CA 0.938 57.375 56.400 0.062 0.000 0.800 333 E CB -0.233 29.501 29.700 0.057 0.000 0.756 333 E HN 0.580 nan 8.360 nan 0.000 0.449 334 L N 0.939 122.260 121.223 0.163 0.000 1.997 334 L HA -0.285 4.053 4.340 -0.004 0.000 0.216 334 L C 2.651 179.616 176.870 0.158 0.000 1.074 334 L CA 1.420 56.397 54.840 0.228 0.000 0.763 334 L CB -0.613 41.599 42.059 0.255 0.000 0.890 334 L HN 0.170 nan 8.230 nan 0.000 0.434 335 A N -0.258 122.631 122.820 0.114 0.000 1.877 335 A HA -0.208 4.110 4.320 -0.004 0.000 0.216 335 A C 2.346 179.959 177.584 0.048 0.000 1.186 335 A CA 1.729 53.820 52.037 0.091 0.000 0.620 335 A CB -0.365 18.681 19.000 0.077 0.000 0.822 335 A HN 0.336 nan 8.150 nan 0.000 0.443 336 K N -0.428 119.981 120.400 0.015 0.000 2.025 336 K HA -0.044 4.273 4.320 -0.004 0.000 0.207 336 K C 2.383 178.938 176.600 -0.075 0.000 1.049 336 K CA 1.121 57.399 56.287 -0.016 0.000 0.933 336 K CB -0.316 32.173 32.500 -0.018 0.000 0.714 336 K HN 0.441 nan 8.250 nan 0.000 0.438 337 A N 0.730 123.442 122.820 -0.181 0.000 1.841 337 A HA -0.138 4.180 4.320 -0.004 0.000 0.214 337 A C 1.979 179.335 177.584 -0.380 0.000 1.195 337 A CA 1.253 53.057 52.037 -0.388 0.000 0.611 337 A CB -0.774 17.789 19.000 -0.728 0.000 0.835 337 A HN 0.303 nan 8.150 nan 0.000 0.443 338 Y N -0.580 119.742 120.300 0.036 0.000 2.347 338 Y HA 0.053 4.601 4.550 -0.004 0.000 0.294 338 Y C 2.081 177.995 175.900 0.025 0.000 1.117 338 Y CA 0.939 59.056 58.100 0.028 0.000 1.184 338 Y CB 0.150 38.624 38.460 0.023 0.000 1.047 338 Y HN 0.204 nan 8.280 nan 0.000 0.546 339 V N -2.826 117.182 119.914 0.156 0.000 3.376 339 V HA 0.516 4.634 4.120 -0.004 0.000 0.313 339 V C 1.205 177.345 176.094 0.077 0.000 1.393 339 V CA 0.043 62.407 62.300 0.108 0.000 1.125 339 V CB -0.293 31.590 31.823 0.101 0.000 1.037 339 V HN 0.429 nan 8.190 nan 0.000 0.440 340 G N 0.626 109.457 108.800 0.053 0.000 2.356 340 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.296 340 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.296 340 G C -0.101 174.824 174.900 0.042 0.000 1.022 340 G CA 0.653 45.773 45.100 0.034 0.000 0.961 340 G HN 0.949 nan 8.290 nan 0.000 0.510 341 V N 0.048 119.990 119.914 0.047 0.000 2.638 341 V HA 0.444 4.562 4.120 -0.004 0.000 0.306 341 V C -0.436 175.682 176.094 0.042 0.000 1.052 341 V CA -1.145 61.186 62.300 0.052 0.000 0.885 341 V CB 2.098 33.969 31.823 0.080 0.000 0.999 341 V HN 0.334 nan 8.190 nan 0.000 0.424 342 D N 5.767 126.187 120.400 0.033 0.000 2.313 342 D HA 0.318 4.955 4.640 -0.004 0.000 0.239 342 D C -2.222 174.094 176.300 0.027 0.000 1.142 342 D CA -1.896 52.122 54.000 0.030 0.000 0.847 342 D CB 2.294 43.109 40.800 0.024 0.000 1.082 342 D HN 0.231 nan 8.370 nan 0.000 0.480 343 P HA -0.034 nan 4.420 nan 0.000 0.286 343 P C 0.622 177.909 177.300 -0.021 0.000 1.577 343 P CA 0.390 63.495 63.100 0.009 0.000 0.805 343 P CB 0.061 31.770 31.700 0.014 0.000 1.706 344 V N -5.134 114.774 119.914 -0.011 0.000 3.093 344 V HA 0.178 4.296 4.120 -0.004 0.000 0.251 344 V C 1.552 177.641 176.094 -0.008 0.000 1.719 344 V CA 0.224 62.512 62.300 -0.021 0.000 1.026 344 V CB -0.390 31.430 31.823 -0.006 0.000 0.926 344 V HN -0.049 nan 8.190 nan 0.000 0.396 345 K N 0.163 120.564 120.400 0.001 0.000 2.334 345 K HA 0.336 4.654 4.320 -0.004 0.000 0.195 345 K C 0.535 177.130 176.600 -0.007 0.000 1.045 345 K CA 0.670 56.958 56.287 0.001 0.000 1.004 345 K CB 0.471 32.976 32.500 0.008 0.000 0.837 345 K HN 0.609 nan 8.250 nan 0.000 0.510 346 E N 0.047 120.243 120.200 -0.008 0.000 2.458 346 E HA 0.354 4.701 4.350 -0.004 0.000 0.278 346 E C -2.847 173.740 176.600 -0.021 0.000 1.004 346 E CA -2.244 54.142 56.400 -0.023 0.000 0.823 346 E CB 2.152 31.849 29.700 -0.005 0.000 1.396 346 E HN -0.119 nan 8.360 nan 0.000 0.463 347 P HA 0.414 nan 4.420 nan 0.000 0.294 347 P C -0.490 176.907 177.300 0.162 0.000 1.294 347 P CA -0.400 62.684 63.100 -0.027 0.000 0.827 347 P CB 0.624 32.132 31.700 -0.320 0.000 0.992 348 I N 4.833 125.530 120.570 0.213 0.000 2.379 348 I HA 0.218 4.386 4.170 -0.004 0.000 0.290 348 I C -1.888 174.406 176.117 0.296 0.000 1.063 348 I CA -2.244 59.186 61.300 0.217 0.000 1.351 348 I CB 0.630 38.704 38.000 0.124 0.000 1.410 348 I HN 0.119 nan 8.210 nan 0.000 0.505 349 P HA 0.156 nan 4.420 nan 0.000 0.276 349 P C -0.591 176.686 177.300 -0.039 0.000 1.243 349 P CA 0.026 63.113 63.100 -0.022 0.000 0.768 349 P CB 1.459 33.135 31.700 -0.040 0.000 0.856 350 V N 1.551 121.421 119.914 -0.073 0.000 3.167 350 V HA 0.930 5.048 4.120 -0.004 0.000 0.310 350 V C -0.831 175.185 176.094 -0.131 0.000 1.207 350 V CA -1.219 61.039 62.300 -0.070 0.000 1.059 350 V CB 2.508 34.324 31.823 -0.013 0.000 1.079 350 V HN 0.816 nan 8.190 nan 0.000 0.446 351 R N -0.443 119.903 120.500 -0.256 0.000 2.739 351 R HA 0.523 4.861 4.340 -0.004 0.000 0.266 351 R C -3.492 172.532 176.300 -0.461 0.000 1.044 351 R CA -1.471 54.246 56.100 -0.638 0.000 0.885 351 R CB 1.116 30.969 30.300 -0.745 0.000 1.260 351 R HN 0.511 nan 8.270 nan 0.000 0.477 352 P HA 0.094 nan 4.420 nan 0.000 0.265 352 P C -0.889 176.406 177.300 -0.008 0.000 1.187 352 P CA 0.418 63.422 63.100 -0.160 0.000 0.766 352 P CB 0.745 32.358 31.700 -0.146 0.000 0.820 353 T N 0.971 115.551 114.554 0.044 0.000 2.906 353 T HA 0.603 4.951 4.350 -0.004 0.000 0.295 353 T C -0.523 173.894 174.700 -0.471 0.000 1.061 353 T CA -0.628 61.404 62.100 -0.113 0.000 1.000 353 T CB 1.649 70.449 68.868 -0.114 0.000 1.103 353 T HN 0.307 nan 8.240 nan 0.000 0.486 354 A N 1.096 123.447 122.820 -0.781 0.000 2.522 354 A HA 0.377 4.695 4.320 -0.004 0.000 0.256 354 A C 0.430 177.778 177.584 -0.394 0.000 1.086 354 A CA 0.510 51.918 52.037 -1.049 0.000 0.763 354 A CB -0.320 18.127 19.000 -0.922 0.000 1.024 354 A HN 1.102 nan 8.150 nan 0.000 0.502 355 H N 1.671 120.504 119.070 -0.395 0.000 2.027 355 H HA 0.287 4.841 4.556 -0.003 0.000 0.209 355 H C -0.791 174.521 175.328 -0.028 0.000 0.903 355 H CA 0.669 56.634 56.048 -0.139 0.000 1.078 355 H CB 0.192 29.945 29.762 -0.015 0.000 1.248 355 H HN 0.643 nan 8.280 nan 0.000 0.432 356 Y N 1.306 121.451 120.300 -0.258 0.000 2.364 356 Y HA 0.438 4.986 4.550 -0.004 0.000 0.340 356 Y C -0.828 174.990 175.900 -0.137 0.000 0.975 356 Y CA -0.852 57.071 58.100 -0.296 0.000 1.089 356 Y CB 1.874 40.164 38.460 -0.283 0.000 1.192 356 Y HN 0.086 nan 8.280 nan 0.000 0.454 357 T N 7.874 121.997 114.554 -0.720 0.000 2.794 357 T HA 0.178 4.526 4.350 -0.004 0.000 0.304 357 T C 1.172 175.628 174.700 -0.407 0.000 0.973 357 T CA -0.238 61.619 62.100 -0.406 0.000 0.972 357 T CB 0.278 68.953 68.868 -0.322 0.000 0.952 357 T HN 0.779 nan 8.240 nan 0.000 0.509 358 M N 1.690 121.287 119.600 -0.005 0.000 2.288 358 M HA 0.126 4.604 4.480 -0.004 0.000 0.266 358 M C 1.716 178.108 176.300 0.153 0.000 1.072 358 M CA 0.443 55.863 55.300 0.199 0.000 1.132 358 M CB -0.153 32.636 32.600 0.314 0.000 1.386 358 M HN 0.617 nan 8.290 nan 0.000 0.432 359 G N -0.043 108.820 108.800 0.104 0.000 2.599 359 G HA2 0.511 4.469 3.960 -0.004 0.000 0.264 359 G HA3 0.511 4.469 3.960 -0.004 0.000 0.264 359 G C -0.139 174.746 174.900 -0.024 0.000 1.200 359 G CA 0.116 45.250 45.100 0.057 0.000 0.896 359 G HN 0.451 nan 8.290 nan 0.000 0.536 360 G N -1.310 107.461 108.800 -0.048 0.000 2.315 360 G HA2 0.349 4.307 3.960 -0.004 0.000 0.294 360 G HA3 0.349 4.307 3.960 -0.004 0.000 0.294 360 G C -0.614 174.230 174.900 -0.093 0.000 1.300 360 G CA -1.053 44.002 45.100 -0.074 0.000 0.843 360 G HN 0.743 nan 8.290 nan 0.000 0.527 361 I N 1.386 121.902 120.570 -0.091 0.000 2.919 361 I HA -0.040 4.128 4.170 -0.004 0.000 0.299 361 I C 1.154 177.204 176.117 -0.111 0.000 1.221 361 I CA 0.582 61.821 61.300 -0.103 0.000 1.424 361 I CB 0.542 38.500 38.000 -0.070 0.000 1.358 361 I HN 0.509 nan 8.210 nan 0.000 0.551 362 E N 6.664 126.778 120.200 -0.144 0.000 2.351 362 E HA 0.077 4.424 4.350 -0.004 0.000 0.266 362 E C -0.335 176.190 176.600 -0.125 0.000 1.031 362 E CA -0.067 56.244 56.400 -0.147 0.000 0.911 362 E CB 0.660 30.258 29.700 -0.171 0.000 0.986 362 E HN 0.687 nan 8.360 nan 0.000 0.446 363 T N 1.434 115.917 114.554 -0.117 0.000 2.896 363 T HA 0.239 4.587 4.350 -0.004 0.000 0.297 363 T C -0.105 174.540 174.700 -0.092 0.000 1.108 363 T CA -1.015 61.023 62.100 -0.103 0.000 1.004 363 T CB 1.635 70.462 68.868 -0.067 0.000 1.159 363 T HN 0.508 nan 8.240 nan 0.000 0.499 364 D N 1.107 121.452 120.400 -0.093 0.000 2.376 364 D HA 0.100 4.738 4.640 -0.004 0.000 0.268 364 D C 0.808 177.094 176.300 -0.024 0.000 1.252 364 D CA -0.284 53.675 54.000 -0.069 0.000 1.041 364 D CB 0.398 41.142 40.800 -0.093 0.000 1.109 364 D HN 0.553 nan 8.370 nan 0.000 0.552 365 Q N -1.155 118.636 119.800 -0.015 0.000 2.488 365 Q HA 0.067 4.405 4.340 -0.004 0.000 0.211 365 Q C 0.409 176.416 176.000 0.011 0.000 0.967 365 Q CA 0.820 56.637 55.803 0.022 0.000 0.926 365 Q CB -0.297 28.427 28.738 -0.022 0.000 0.992 365 Q HN 0.448 nan 8.270 nan 0.000 0.506 366 N N -1.476 117.218 118.700 -0.010 0.000 2.351 366 N HA 0.161 4.898 4.740 -0.004 0.000 0.254 366 N C -0.739 174.824 175.510 0.087 0.000 1.241 366 N CA -0.100 52.957 53.050 0.012 0.000 0.883 366 N CB 0.782 39.251 38.487 -0.030 0.000 1.202 366 N HN 0.106 nan 8.380 nan 0.000 0.512 367 C N 0.958 120.311 119.300 0.088 0.000 4.400 367 C HA -0.189 4.269 4.460 -0.004 0.000 0.275 367 C C 0.863 175.807 174.990 -0.077 0.000 1.391 367 C CA 0.487 59.567 59.018 0.104 0.000 1.816 367 C CB -2.657 25.247 27.740 0.272 0.000 1.404 367 C HN 0.626 nan 8.230 nan 0.000 0.754 368 E N 1.268 121.260 120.200 -0.346 0.000 2.313 368 E HA 0.486 4.834 4.350 -0.004 0.000 0.272 368 E C 0.917 177.307 176.600 -0.350 0.000 1.038 368 E CA 0.490 56.472 56.400 -0.696 0.000 0.863 368 E CB 1.032 30.232 29.700 -0.834 0.000 1.060 368 E HN 0.567 nan 8.360 nan 0.000 0.402 369 T N 1.098 115.465 114.554 -0.312 0.000 2.902 369 T HA 0.305 4.653 4.350 -0.004 0.000 0.287 369 T C 1.098 175.695 174.700 -0.172 0.000 1.048 369 T CA -0.435 61.553 62.100 -0.186 0.000 0.941 369 T CB 0.767 69.558 68.868 -0.129 0.000 1.432 369 T HN 0.552 nan 8.240 nan 0.000 0.586 370 R N -0.549 119.882 120.500 -0.116 0.000 2.115 370 R HA 0.207 4.545 4.340 -0.004 0.000 0.226 370 R C 0.518 176.764 176.300 -0.090 0.000 1.100 370 R CA 0.653 56.703 56.100 -0.082 0.000 0.980 370 R CB -0.495 29.785 30.300 -0.034 0.000 0.875 370 R HN 0.576 nan 8.270 nan 0.000 0.445 371 I N 2.752 123.261 120.570 -0.101 0.000 2.396 371 I HA 0.011 4.179 4.170 -0.004 0.000 0.289 371 I C 0.320 176.315 176.117 -0.203 0.000 1.056 371 I CA -0.210 61.020 61.300 -0.117 0.000 1.365 371 I CB 0.744 38.688 38.000 -0.093 0.000 1.407 371 I HN -0.102 nan 8.210 nan 0.000 0.509 372 K N 5.180 125.431 120.400 -0.248 0.000 2.472 372 K HA 0.088 4.406 4.320 -0.004 0.000 0.280 372 K C 1.051 177.232 176.600 -0.698 0.000 1.028 372 K CA 0.849 56.902 56.287 -0.391 0.000 1.045 372 K CB 0.541 32.874 32.500 -0.278 0.000 0.902 372 K HN 1.042 nan 8.250 nan 0.000 0.478 373 G N 1.903 110.478 108.800 -0.376 0.000 2.258 373 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.233 373 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.233 373 G C -0.219 174.827 174.900 0.242 0.000 1.006 373 G CA -0.147 44.916 45.100 -0.062 0.000 0.620 373 G HN 0.478 nan 8.290 nan 0.000 0.511 374 L N 2.168 123.400 121.223 0.014 0.000 2.278 374 L HA 0.793 5.131 4.340 -0.004 0.000 0.287 374 L C -0.431 176.504 176.870 0.109 0.000 1.072 374 L CA -0.989 53.922 54.840 0.118 0.000 0.819 374 L CB -0.001 42.050 42.059 -0.014 0.000 1.176 374 L HN 0.062 nan 8.230 nan 0.000 0.435 375 F N 3.640 123.563 119.950 -0.044 0.000 2.594 375 F HA 0.876 5.401 4.527 -0.004 0.000 0.335 375 F C 0.244 176.035 175.800 -0.015 0.000 1.058 375 F CA -0.796 57.189 58.000 -0.024 0.000 0.981 375 F CB 1.661 40.657 39.000 -0.007 0.000 1.289 375 F HN 0.534 nan 8.300 nan 0.000 0.490 376 A N 1.017 123.955 122.820 0.196 0.000 2.465 376 A HA 0.701 5.019 4.320 -0.004 0.000 0.292 376 A C -1.918 175.735 177.584 0.115 0.000 1.041 376 A CA -0.662 51.439 52.037 0.107 0.000 0.718 376 A CB 1.460 20.482 19.000 0.036 0.000 1.266 376 A HN 0.791 nan 8.150 nan 0.000 0.403 377 V N 1.960 121.939 119.914 0.109 0.000 3.078 377 V HA 0.945 5.063 4.120 -0.004 0.000 0.311 377 V C 0.476 176.626 176.094 0.093 0.000 1.138 377 V CA 1.132 63.508 62.300 0.126 0.000 1.007 377 V CB 1.837 33.769 31.823 0.182 0.000 1.045 377 V HN 2.960 nan 8.190 nan 0.000 0.432 378 G N 3.370 112.228 108.800 0.098 0.000 2.587 378 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.212 378 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.212 378 G C 0.393 175.333 174.900 0.065 0.000 1.327 378 G CA 0.521 45.678 45.100 0.095 0.000 0.898 378 G HN 1.287 nan 8.290 nan 0.000 0.551 379 E N -0.523 119.705 120.200 0.046 0.000 2.472 379 E HA -0.062 4.286 4.350 -0.004 0.000 0.200 379 E C 2.417 178.959 176.600 -0.098 0.000 1.046 379 E CA 1.776 58.144 56.400 -0.054 0.000 0.871 379 E CB -0.464 29.138 29.700 -0.163 0.000 0.806 379 E HN 0.839 nan 8.360 nan 0.000 0.533 380 C N -0.272 119.000 119.300 -0.047 0.000 2.495 380 C HA 0.184 4.642 4.460 -0.004 0.000 0.275 380 C C 1.873 176.836 174.990 -0.045 0.000 1.392 380 C CA -0.119 58.868 59.018 -0.051 0.000 1.766 380 C CB -1.077 26.648 27.740 -0.025 0.000 1.933 380 C HN 0.314 nan 8.230 nan 0.000 0.519 381 S N 0.681 116.363 115.700 -0.029 0.000 2.552 381 S HA 0.545 5.013 4.470 -0.004 0.000 0.271 381 S C 0.158 174.723 174.600 -0.058 0.000 1.168 381 S CA 0.343 58.520 58.200 -0.038 0.000 1.026 381 S CB 0.760 63.947 63.200 -0.021 0.000 1.120 381 S HN 0.702 nan 8.310 nan 0.000 0.514 382 S N -0.184 115.463 115.700 -0.088 0.000 2.751 382 S HA 0.165 4.633 4.470 -0.004 0.000 0.148 382 S C 0.282 174.780 174.600 -0.169 0.000 1.057 382 S CA -0.085 58.045 58.200 -0.117 0.000 1.103 382 S CB -0.627 62.511 63.200 -0.103 0.000 1.709 382 S HN 1.213 nan 8.310 nan 0.000 0.484 383 V N 0.531 120.313 119.914 -0.220 0.000 3.186 383 V HA 0.321 4.439 4.120 -0.004 0.000 0.270 383 V C 1.555 177.515 176.094 -0.223 0.000 1.149 383 V CA 1.117 63.289 62.300 -0.214 0.000 1.160 383 V CB -1.446 30.178 31.823 -0.332 0.000 0.758 383 V HN 1.493 nan 8.190 nan 0.000 0.516 384 G N 0.289 108.933 108.800 -0.261 0.000 2.255 384 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.239 384 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.239 384 G C 0.027 174.781 174.900 -0.244 0.000 1.083 384 G CA 0.322 45.305 45.100 -0.196 0.000 0.826 384 G HN 0.685 nan 8.290 nan 0.000 0.493 385 L N -1.083 119.853 121.223 -0.479 0.000 2.425 385 L HA 0.428 4.766 4.340 -0.004 0.000 0.215 385 L C 2.069 178.641 176.870 -0.497 0.000 1.065 385 L CA 1.525 56.008 54.840 -0.596 0.000 0.842 385 L CB -0.131 41.319 42.059 -1.015 0.000 1.033 385 L HN 0.318 nan 8.230 nan 0.000 0.474 386 H N -0.343 118.608 119.070 -0.199 0.000 2.547 386 H HA 0.414 4.968 4.556 -0.004 0.000 0.272 386 H C 1.521 176.751 175.328 -0.163 0.000 0.971 386 H CA 0.421 56.371 56.048 -0.163 0.000 1.245 386 H CB -0.240 29.472 29.762 -0.084 0.000 1.440 386 H HN 0.368 nan 8.280 nan 0.000 0.540 387 G N 1.023 109.796 108.800 -0.046 0.000 2.556 387 G HA2 -0.364 3.594 3.960 -0.004 0.000 0.283 387 G HA3 -0.364 3.594 3.960 -0.004 0.000 0.283 387 G C 1.177 175.874 174.900 -0.338 0.000 1.177 387 G CA 1.325 46.348 45.100 -0.128 0.000 0.978 387 G HN 0.627 nan 8.290 nan 0.000 0.554 388 A N -0.125 122.345 122.820 -0.582 0.000 2.275 388 A HA 0.514 4.832 4.320 -0.004 0.000 0.212 388 A C 0.848 178.156 177.584 -0.460 0.000 1.201 388 A CA 1.375 52.719 52.037 -1.156 0.000 0.843 388 A CB -0.060 18.294 19.000 -1.076 0.000 0.873 388 A HN 0.949 nan 8.150 nan 0.000 0.492 389 N N 0.086 118.651 118.700 -0.224 0.000 2.648 389 N HA 0.103 4.841 4.740 -0.004 0.000 0.272 389 N C -1.344 174.113 175.510 -0.089 0.000 1.118 389 N CA -0.429 52.562 53.050 -0.099 0.000 0.973 389 N CB 1.395 39.823 38.487 -0.097 0.000 1.565 389 N HN 0.229 nan 8.380 nan 0.000 0.542 390 R N 2.291 122.729 120.500 -0.103 0.000 2.590 390 R HA 0.173 4.511 4.340 -0.004 0.000 0.274 390 R C -0.611 175.579 176.300 -0.184 0.000 1.061 390 R CA -0.241 55.705 56.100 -0.257 0.000 1.081 390 R CB 0.470 30.371 30.300 -0.665 0.000 0.984 390 R HN 0.512 nan 8.270 nan 0.000 0.448 391 L N 2.950 124.098 121.223 -0.126 0.000 2.326 391 L HA 0.343 4.681 4.340 -0.004 0.000 0.278 391 L C 0.366 177.209 176.870 -0.044 0.000 1.092 391 L CA 0.201 55.014 54.840 -0.045 0.000 0.810 391 L CB 1.346 43.428 42.059 0.039 0.000 1.153 391 L HN 0.769 nan 8.230 nan 0.000 0.439 392 G N 2.937 111.741 108.800 0.007 0.000 2.265 392 G HA2 0.324 4.282 3.960 -0.004 0.000 0.240 392 G HA3 0.324 4.282 3.960 -0.004 0.000 0.240 392 G C 0.655 175.598 174.900 0.072 0.000 1.270 392 G CA 0.431 45.569 45.100 0.063 0.000 0.901 392 G HN 1.784 nan 8.290 nan 0.000 0.507 393 S N 0.489 116.200 115.700 0.019 0.000 3.482 393 S HA -0.235 4.233 4.470 -0.004 0.000 0.294 393 S C 0.960 175.608 174.600 0.080 0.000 1.244 393 S CA 1.227 59.428 58.200 0.002 0.000 0.911 393 S CB -1.853 61.318 63.200 -0.049 0.000 1.070 393 S HN 0.676 nan 8.310 nan 0.000 0.614 394 N N 0.678 119.427 118.700 0.080 0.000 2.294 394 N HA 0.288 5.026 4.740 -0.004 0.000 0.186 394 N C 1.543 177.144 175.510 0.150 0.000 1.107 394 N CA 0.830 54.014 53.050 0.224 0.000 0.884 394 N CB 0.271 38.886 38.487 0.214 0.000 1.030 394 N HN 0.536 nan 8.380 nan 0.000 0.482 395 S N 0.279 115.964 115.700 -0.025 0.000 2.355 395 S HA 0.074 4.542 4.470 -0.004 0.000 0.222 395 S C 1.789 176.477 174.600 0.147 0.000 1.031 395 S CA 0.720 58.923 58.200 0.006 0.000 0.993 395 S CB -0.215 62.906 63.200 -0.132 0.000 0.859 395 S HN 0.208 nan 8.310 nan 0.000 0.453 396 L N 1.195 122.505 121.223 0.144 0.000 2.017 396 L HA -0.100 4.238 4.340 -0.004 0.000 0.208 396 L C 3.042 180.048 176.870 0.227 0.000 1.073 396 L CA 1.349 56.300 54.840 0.186 0.000 0.745 396 L CB -0.903 41.267 42.059 0.184 0.000 0.894 396 L HN 0.449 nan 8.230 nan 0.000 0.432 397 A N -0.188 122.784 122.820 0.253 0.000 1.892 397 A HA -0.309 4.008 4.320 -0.004 0.000 0.218 397 A C 2.257 180.132 177.584 0.486 0.000 1.188 397 A CA 2.130 54.357 52.037 0.318 0.000 0.631 397 A CB -0.699 18.546 19.000 0.409 0.000 0.822 397 A HN 0.519 nan 8.150 nan 0.000 0.447 398 E N -0.026 120.455 120.200 0.468 0.000 2.070 398 E HA -0.233 4.115 4.350 -0.004 0.000 0.197 398 E C 1.966 178.780 176.600 0.358 0.000 1.004 398 E CA 1.575 58.181 56.400 0.343 0.000 0.805 398 E CB -0.297 29.417 29.700 0.023 0.000 0.744 398 E HN 0.664 nan 8.360 nan 0.000 0.451 399 L N 0.581 121.965 121.223 0.268 0.000 2.043 399 L HA -0.217 4.121 4.340 -0.004 0.000 0.212 399 L C 2.794 179.802 176.870 0.231 0.000 1.075 399 L CA 1.624 56.603 54.840 0.232 0.000 0.752 399 L CB -0.804 41.375 42.059 0.200 0.000 0.891 399 L HN 0.233 nan 8.230 nan 0.000 0.432 400 V N -4.517 115.530 119.914 0.221 0.000 2.535 400 V HA -0.058 4.059 4.120 -0.004 0.000 0.246 400 V C 2.220 178.395 176.094 0.135 0.000 1.045 400 V CA 0.902 63.297 62.300 0.160 0.000 1.058 400 V CB -0.343 31.542 31.823 0.103 0.000 0.689 400 V HN 0.155 nan 8.190 nan 0.000 0.461 401 V N -0.282 119.752 119.914 0.201 0.000 2.323 401 V HA -0.058 4.060 4.120 -0.004 0.000 0.244 401 V C 2.368 178.457 176.094 -0.007 0.000 1.041 401 V CA 2.126 64.474 62.300 0.079 0.000 1.025 401 V CB -0.807 31.094 31.823 0.130 0.000 0.656 401 V HN 0.493 nan 8.190 nan 0.000 0.451 402 F N 1.111 121.149 119.950 0.147 0.000 2.710 402 F HA 0.229 4.754 4.527 -0.004 0.000 0.298 402 F C 2.180 178.059 175.800 0.131 0.000 1.137 402 F CA 0.728 58.821 58.000 0.157 0.000 1.444 402 F CB -0.886 38.194 39.000 0.134 0.000 1.111 402 F HN 0.159 nan 8.300 nan 0.000 0.580 403 G N -0.155 108.786 108.800 0.235 0.000 2.408 403 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.215 403 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.215 403 G C 1.821 176.787 174.900 0.110 0.000 1.156 403 G CA 0.372 45.571 45.100 0.166 0.000 0.793 403 G HN 0.243 nan 8.290 nan 0.000 0.535 404 R N -0.332 120.223 120.500 0.090 0.000 2.070 404 R HA -0.021 4.317 4.340 -0.004 0.000 0.233 404 R C 2.458 178.787 176.300 0.047 0.000 1.137 404 R CA 1.460 57.595 56.100 0.059 0.000 0.945 404 R CB -0.517 29.809 30.300 0.043 0.000 0.845 404 R HN 0.292 nan 8.270 nan 0.000 0.430 405 L N 1.105 122.355 121.223 0.045 0.000 1.963 405 L HA -0.204 4.133 4.340 -0.004 0.000 0.220 405 L C 2.392 179.304 176.870 0.070 0.000 1.076 405 L CA 2.534 57.403 54.840 0.047 0.000 0.772 405 L CB -1.014 41.057 42.059 0.021 0.000 0.892 405 L HN 0.328 nan 8.230 nan 0.000 0.435 406 A N -0.576 122.312 122.820 0.115 0.000 1.927 406 A HA -0.214 4.104 4.320 -0.004 0.000 0.220 406 A C 2.343 179.898 177.584 -0.049 0.000 1.185 406 A CA 2.154 54.261 52.037 0.116 0.000 0.639 406 A CB -1.781 17.303 19.000 0.140 0.000 0.820 406 A HN 0.641 nan 8.150 nan 0.000 0.451 407 G N -0.712 108.069 108.800 -0.031 0.000 2.433 407 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.216 407 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.216 407 G C 1.428 176.273 174.900 -0.091 0.000 1.186 407 G CA 1.032 46.085 45.100 -0.078 0.000 0.779 407 G HN 0.673 nan 8.290 nan 0.000 0.543 408 E N 0.114 120.291 120.200 -0.038 0.000 2.017 408 E HA -0.155 4.193 4.350 -0.004 0.000 0.193 408 E C 2.787 179.373 176.600 -0.023 0.000 0.997 408 E CA 1.145 57.531 56.400 -0.023 0.000 0.804 408 E CB -0.136 29.567 29.700 0.006 0.000 0.757 408 E HN 0.260 nan 8.360 nan 0.000 0.448 409 Q N 0.300 120.112 119.800 0.019 0.000 2.112 409 Q HA -0.176 4.162 4.340 -0.004 0.000 0.206 409 Q C 2.224 178.237 176.000 0.021 0.000 0.987 409 Q CA 1.596 57.470 55.803 0.119 0.000 0.858 409 Q CB -0.581 28.356 28.738 0.332 0.000 0.905 409 Q HN 0.306 nan 8.270 nan 0.000 0.420 410 A N 0.473 123.043 122.820 -0.416 0.000 1.972 410 A HA -0.154 4.164 4.320 -0.004 0.000 0.219 410 A C 2.356 179.782 177.584 -0.263 0.000 1.169 410 A CA 1.897 53.470 52.037 -0.774 0.000 0.635 410 A CB -0.774 17.671 19.000 -0.924 0.000 0.810 410 A HN 0.393 nan 8.150 nan 0.000 0.446 411 T N 0.100 114.561 114.554 -0.155 0.000 2.674 411 T HA -0.152 4.196 4.350 -0.004 0.000 0.265 411 T C 1.794 176.481 174.700 -0.021 0.000 1.039 411 T CA 1.765 63.822 62.100 -0.072 0.000 1.150 411 T CB -0.278 68.561 68.868 -0.049 0.000 0.864 411 T HN 0.682 nan 8.240 nan 0.000 0.427 412 E N 0.529 120.732 120.200 0.004 0.000 2.051 412 E HA -0.124 4.223 4.350 -0.004 0.000 0.192 412 E C 2.417 179.057 176.600 0.067 0.000 0.991 412 E CA 0.827 57.248 56.400 0.036 0.000 0.799 412 E CB -0.145 29.582 29.700 0.046 0.000 0.748 412 E HN 0.102 nan 8.360 nan 0.000 0.449 413 R N 0.587 121.156 120.500 0.114 0.000 2.241 413 R HA -0.069 4.269 4.340 -0.004 0.000 0.224 413 R C 1.620 178.015 176.300 0.158 0.000 1.101 413 R CA 1.156 57.366 56.100 0.184 0.000 0.995 413 R CB -0.139 30.389 30.300 0.381 0.000 0.870 413 R HN 0.175 nan 8.270 nan 0.000 0.463 414 A N -1.289 121.581 122.820 0.083 0.000 2.115 414 A HA 0.339 4.657 4.320 -0.004 0.000 0.211 414 A C 1.963 179.570 177.584 0.039 0.000 1.169 414 A CA 0.582 52.660 52.037 0.068 0.000 0.787 414 A CB -0.082 18.933 19.000 0.026 0.000 0.858 414 A HN 0.320 nan 8.150 nan 0.000 0.474 415 A N -0.032 122.807 122.820 0.032 0.000 2.016 415 A HA 0.064 4.381 4.320 -0.004 0.000 0.217 415 A C 1.934 179.530 177.584 0.020 0.000 1.162 415 A CA 1.915 53.964 52.037 0.020 0.000 0.662 415 A CB -0.629 18.381 19.000 0.017 0.000 0.812 415 A HN 0.721 nan 8.150 nan 0.000 0.450 416 T N -4.284 110.290 114.554 0.033 0.000 3.248 416 T HA 0.589 4.936 4.350 -0.004 0.000 0.271 416 T C 1.069 175.786 174.700 0.029 0.000 1.005 416 T CA 0.569 62.686 62.100 0.027 0.000 0.902 416 T CB 0.485 69.373 68.868 0.033 0.000 1.102 416 T HN 0.344 nan 8.240 nan 0.000 0.548 417 A N 1.162 123.994 122.820 0.020 0.000 2.016 417 A HA 0.617 4.935 4.320 -0.004 0.000 0.217 417 A C 1.726 179.240 177.584 -0.116 0.000 1.162 417 A CA 0.529 52.549 52.037 -0.027 0.000 0.662 417 A CB -1.126 17.859 19.000 -0.026 0.000 0.812 417 A HN 1.504 nan 8.150 nan 0.000 0.450 418 G N -0.524 108.234 108.800 -0.071 0.000 2.806 418 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.236 418 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.236 418 G C -0.449 174.385 174.900 -0.109 0.000 1.387 418 G CA -0.076 44.978 45.100 -0.075 0.000 0.884 418 G HN 0.611 nan 8.290 nan 0.000 0.560 419 N N -0.141 118.506 118.700 -0.087 0.000 2.518 419 N HA 0.729 5.467 4.740 -0.004 0.000 0.284 419 N C 0.458 175.914 175.510 -0.090 0.000 1.230 419 N CA 0.241 53.240 53.050 -0.085 0.000 0.941 419 N CB 1.706 40.163 38.487 -0.050 0.000 1.219 419 N HN 1.171 nan 8.380 nan 0.000 0.560 420 G N -0.606 108.151 108.800 -0.071 0.000 2.730 420 G HA2 0.189 4.147 3.960 -0.004 0.000 0.289 420 G HA3 0.189 4.147 3.960 -0.004 0.000 0.289 420 G C -0.784 174.097 174.900 -0.032 0.000 1.341 420 G CA -0.583 44.484 45.100 -0.055 0.000 0.932 420 G HN 0.502 nan 8.290 nan 0.000 0.481 421 N N -0.075 118.612 118.700 -0.022 0.000 2.400 421 N HA 0.035 4.773 4.740 -0.004 0.000 0.278 421 N C 1.270 176.774 175.510 -0.011 0.000 1.247 421 N CA 0.072 53.114 53.050 -0.014 0.000 0.970 421 N CB 1.018 39.500 38.487 -0.008 0.000 1.312 421 N HN 0.586 nan 8.380 nan 0.000 0.488 422 E N 3.760 123.953 120.200 -0.012 0.000 2.065 422 E HA -0.269 4.079 4.350 -0.004 0.000 0.201 422 E C 1.610 178.207 176.600 -0.005 0.000 1.016 422 E CA 2.098 58.493 56.400 -0.009 0.000 0.818 422 E CB -0.324 29.370 29.700 -0.009 0.000 0.749 422 E HN 0.713 nan 8.360 nan 0.000 0.453 423 A N 0.356 123.174 122.820 -0.004 0.000 1.978 423 A HA -0.096 4.222 4.320 -0.004 0.000 0.220 423 A C 2.368 179.952 177.584 -0.000 0.000 1.170 423 A CA 2.229 54.265 52.037 -0.002 0.000 0.636 423 A CB -0.929 18.070 19.000 -0.002 0.000 0.810 423 A HN 0.420 nan 8.150 nan 0.000 0.448 424 A N 0.146 122.966 122.820 -0.001 0.000 1.840 424 A HA -0.005 4.313 4.320 -0.004 0.000 0.214 424 A C 2.086 179.672 177.584 0.002 0.000 1.198 424 A CA 1.321 53.359 52.037 0.002 0.000 0.608 424 A CB -0.657 18.344 19.000 0.001 0.000 0.839 424 A HN 0.465 nan 8.150 nan 0.000 0.443 425 I N 0.047 120.617 120.570 -0.001 0.000 2.118 425 I HA -0.323 3.845 4.170 -0.004 0.000 0.241 425 I C 2.446 178.564 176.117 0.002 0.000 1.070 425 I CA 1.912 63.211 61.300 -0.002 0.000 1.327 425 I CB -0.610 37.388 38.000 -0.004 0.000 1.034 425 I HN 0.428 nan 8.210 nan 0.000 0.405 426 E N 0.850 121.052 120.200 0.002 0.000 2.204 426 E HA -0.163 4.185 4.350 -0.004 0.000 0.194 426 E C 2.303 178.907 176.600 0.007 0.000 0.989 426 E CA 1.163 57.566 56.400 0.004 0.000 0.824 426 E CB -0.134 29.567 29.700 0.003 0.000 0.756 426 E HN 0.557 nan 8.360 nan 0.000 0.477 427 A N 1.234 124.058 122.820 0.007 0.000 2.014 427 A HA -0.171 4.147 4.320 -0.004 0.000 0.218 427 A C 2.108 179.700 177.584 0.014 0.000 1.163 427 A CA 0.832 52.875 52.037 0.009 0.000 0.652 427 A CB -0.130 18.875 19.000 0.009 0.000 0.808 427 A HN 0.091 nan 8.150 nan 0.000 0.449 428 Q N -0.350 119.460 119.800 0.016 0.000 1.993 428 Q HA -0.172 4.166 4.340 -0.004 0.000 0.202 428 Q C 2.528 178.544 176.000 0.027 0.000 0.984 428 Q CA 1.771 57.589 55.803 0.025 0.000 0.837 428 Q CB -0.671 28.075 28.738 0.014 0.000 0.902 428 Q HN 0.627 nan 8.270 nan 0.000 0.423 429 A N 1.028 123.859 122.820 0.018 0.000 1.940 429 A HA -0.156 4.162 4.320 -0.004 0.000 0.219 429 A C 2.295 179.888 177.584 0.015 0.000 1.176 429 A CA 2.039 54.086 52.037 0.017 0.000 0.631 429 A CB -0.671 18.337 19.000 0.013 0.000 0.814 429 A HN 0.409 nan 8.150 nan 0.000 0.446 430 A N -0.640 122.188 122.820 0.012 0.000 1.933 430 A HA 0.144 4.462 4.320 -0.004 0.000 0.218 430 A C 2.364 179.953 177.584 0.009 0.000 1.175 430 A CA 1.865 53.908 52.037 0.009 0.000 0.628 430 A CB -1.223 17.782 19.000 0.007 0.000 0.814 430 A HN 0.701 nan 8.150 nan 0.000 0.444 431 G N -0.461 108.348 108.800 0.015 0.000 2.394 431 G HA2 -0.056 3.902 3.960 -0.004 0.000 0.215 431 G HA3 -0.056 3.902 3.960 -0.004 0.000 0.215 431 G C 1.502 176.411 174.900 0.016 0.000 1.165 431 G CA 1.141 46.251 45.100 0.017 0.000 0.784 431 G HN 0.298 nan 8.290 nan 0.000 0.535 432 V N 1.049 120.978 119.914 0.024 0.000 2.252 432 V HA -0.277 3.840 4.120 -0.004 0.000 0.249 432 V C 2.603 178.699 176.094 0.003 0.000 1.056 432 V CA 2.536 64.850 62.300 0.023 0.000 1.022 432 V CB -0.623 31.218 31.823 0.030 0.000 0.641 432 V HN 0.625 nan 8.190 nan 0.000 0.445 433 E N -0.168 120.032 120.200 -0.000 0.000 2.047 433 E HA -0.321 4.027 4.350 -0.004 0.000 0.191 433 E C 2.264 178.855 176.600 -0.016 0.000 0.987 433 E CA 1.549 57.943 56.400 -0.011 0.000 0.799 433 E CB -0.169 29.527 29.700 -0.007 0.000 0.752 433 E HN 0.577 nan 8.360 nan 0.000 0.449 434 Q N 1.026 120.820 119.800 -0.010 0.000 2.061 434 Q HA -0.209 4.129 4.340 -0.004 0.000 0.204 434 Q C 2.214 178.202 176.000 -0.020 0.000 0.984 434 Q CA 1.790 57.584 55.803 -0.014 0.000 0.846 434 Q CB -0.325 28.408 28.738 -0.008 0.000 0.902 434 Q HN 0.084 nan 8.270 nan 0.000 0.421 435 R N 0.009 120.500 120.500 -0.016 0.000 2.083 435 R HA -0.135 4.203 4.340 -0.004 0.000 0.237 435 R C 2.156 178.435 176.300 -0.035 0.000 1.137 435 R CA 1.509 57.596 56.100 -0.021 0.000 0.951 435 R CB -1.025 29.270 30.300 -0.009 0.000 0.851 435 R HN 0.466 nan 8.270 nan 0.000 0.434 436 L N 1.632 122.832 121.223 -0.038 0.000 2.042 436 L HA -0.160 4.177 4.340 -0.004 0.000 0.210 436 L C 2.281 179.111 176.870 -0.067 0.000 1.076 436 L CA 1.993 56.796 54.840 -0.062 0.000 0.749 436 L CB -0.532 41.486 42.059 -0.069 0.000 0.893 436 L HN 0.084 nan 8.230 nan 0.000 0.432 437 K N -0.814 119.555 120.400 -0.052 0.000 2.097 437 K HA -0.168 4.149 4.320 -0.004 0.000 0.205 437 K C 1.780 178.347 176.600 -0.054 0.000 1.050 437 K CA 1.455 57.712 56.287 -0.050 0.000 0.938 437 K CB -0.103 32.376 32.500 -0.037 0.000 0.718 437 K HN 0.430 nan 8.250 nan 0.000 0.442 438 D N 0.898 121.267 120.400 -0.051 0.000 2.106 438 D HA -0.204 4.433 4.640 -0.004 0.000 0.191 438 D C 1.859 178.113 176.300 -0.077 0.000 0.997 438 D CA 1.030 54.997 54.000 -0.056 0.000 0.834 438 D CB -0.191 40.579 40.800 -0.050 0.000 0.956 438 D HN 0.136 nan 8.370 nan 0.000 0.448 439 L N 0.950 122.119 121.223 -0.090 0.000 2.083 439 L HA -0.123 4.215 4.340 -0.004 0.000 0.209 439 L C 2.241 179.041 176.870 -0.117 0.000 1.083 439 L CA 1.273 56.039 54.840 -0.123 0.000 0.752 439 L CB -0.518 41.467 42.059 -0.123 0.000 0.899 439 L HN -0.138 nan 8.230 nan 0.000 0.433 440 V N 0.288 120.144 119.914 -0.097 0.000 2.358 440 V HA -0.224 3.894 4.120 -0.004 0.000 0.246 440 V C 2.199 178.249 176.094 -0.073 0.000 1.047 440 V CA 1.928 64.175 62.300 -0.089 0.000 1.035 440 V CB -0.837 30.938 31.823 -0.080 0.000 0.658 440 V HN 0.532 nan 8.190 nan 0.000 0.452 441 N N -0.143 118.519 118.700 -0.064 0.000 2.446 441 N HA -0.047 4.691 4.740 -0.004 0.000 0.179 441 N C 1.174 176.650 175.510 -0.056 0.000 1.054 441 N CA 0.098 53.117 53.050 -0.052 0.000 0.905 441 N CB -0.034 38.427 38.487 -0.043 0.000 0.973 441 N HN 0.610 nan 8.380 nan 0.000 0.448 442 Q N 1.749 121.505 119.800 -0.074 0.000 2.283 442 Q HA -0.051 4.287 4.340 -0.004 0.000 0.301 442 Q C -0.975 174.980 176.000 -0.074 0.000 1.063 442 Q CA 0.633 56.385 55.803 -0.084 0.000 0.952 442 Q CB 0.491 29.153 28.738 -0.127 0.000 1.166 442 Q HN 0.089 nan 8.270 nan 0.000 0.381 443 D N 1.798 122.163 120.400 -0.059 0.000 2.467 443 D HA 0.717 5.355 4.640 -0.004 0.000 0.245 443 D C 0.047 176.323 176.300 -0.040 0.000 1.038 443 D CA 0.197 54.171 54.000 -0.042 0.000 1.038 443 D CB 1.724 42.507 40.800 -0.028 0.000 1.278 443 D HN 0.556 nan 8.370 nan 0.000 0.564 444 G N -1.026 107.761 108.800 -0.022 0.000 4.264 444 G HA2 0.366 4.324 3.960 -0.004 0.000 0.204 444 G HA3 0.366 4.324 3.960 -0.004 0.000 0.204 444 G C 0.867 175.769 174.900 0.003 0.000 1.003 444 G CA 0.345 45.437 45.100 -0.012 0.000 0.998 444 G HN 1.484 nan 8.290 nan 0.000 0.361 445 G N -0.001 108.806 108.800 0.012 0.000 2.179 445 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.220 445 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.220 445 G C -0.055 174.865 174.900 0.033 0.000 0.990 445 G CA 0.533 45.646 45.100 0.021 0.000 0.646 445 G HN 0.642 nan 8.290 nan 0.000 0.517 446 E N 0.380 120.605 120.200 0.042 0.000 2.231 446 E HA 0.393 4.741 4.350 -0.004 0.000 0.277 446 E C -0.359 176.297 176.600 0.093 0.000 0.999 446 E CA -0.804 55.630 56.400 0.058 0.000 0.827 446 E CB 1.093 30.828 29.700 0.058 0.000 1.101 446 E HN 0.194 nan 8.360 nan 0.000 0.393 447 N N 3.278 122.030 118.700 0.086 0.000 2.430 447 N HA -0.025 4.713 4.740 -0.004 0.000 0.265 447 N C 1.007 176.593 175.510 0.126 0.000 1.100 447 N CA -0.463 52.660 53.050 0.121 0.000 0.961 447 N CB 0.449 38.970 38.487 0.058 0.000 1.075 447 N HN 0.646 nan 8.380 nan 0.000 0.478 448 W N 4.344 125.694 121.300 0.083 0.000 2.321 448 W HA -0.241 4.418 4.660 -0.003 0.000 0.306 448 W C 0.963 177.527 176.519 0.075 0.000 1.217 448 W CA 1.423 58.838 57.345 0.117 0.000 1.257 448 W CB -1.417 28.131 29.460 0.147 0.000 1.145 448 W HN 0.563 nan 8.180 nan 0.000 0.509 449 A N 1.938 124.018 122.820 -1.233 0.000 1.908 449 A HA -0.221 4.097 4.320 -0.004 0.000 0.218 449 A C 2.053 179.304 177.584 -0.554 0.000 1.181 449 A CA 2.270 53.560 52.037 -1.245 0.000 0.627 449 A CB -0.716 17.783 19.000 -0.835 0.000 0.818 449 A HN 0.168 nan 8.150 nan 0.000 0.445 450 K N -0.285 119.935 120.400 -0.299 0.000 2.283 450 K HA 0.074 4.392 4.320 -0.004 0.000 0.202 450 K C 1.676 178.190 176.600 -0.144 0.000 1.048 450 K CA 0.824 57.007 56.287 -0.174 0.000 0.948 450 K CB -0.450 31.995 32.500 -0.092 0.000 0.742 450 K HN 0.643 nan 8.250 nan 0.000 0.458 451 I N 0.327 120.819 120.570 -0.131 0.000 2.333 451 I HA -0.156 4.011 4.170 -0.004 0.000 0.246 451 I C 2.736 178.770 176.117 -0.138 0.000 1.106 451 I CA 0.569 61.825 61.300 -0.075 0.000 1.411 451 I CB -0.154 37.865 38.000 0.031 0.000 1.082 451 I HN 0.126 nan 8.210 nan 0.000 0.420 452 R N 1.265 121.624 120.500 -0.236 0.000 2.080 452 R HA -0.226 4.112 4.340 -0.004 0.000 0.236 452 R C 1.868 178.030 176.300 -0.231 0.000 1.137 452 R CA 2.322 58.262 56.100 -0.266 0.000 0.943 452 R CB -0.297 29.698 30.300 -0.508 0.000 0.846 452 R HN 0.280 nan 8.270 nan 0.000 0.431 453 D N 0.455 120.707 120.400 -0.246 0.000 2.103 453 D HA -0.194 4.444 4.640 -0.004 0.000 0.190 453 D C 1.878 178.081 176.300 -0.161 0.000 0.997 453 D CA 1.684 55.565 54.000 -0.198 0.000 0.833 453 D CB -0.384 40.312 40.800 -0.175 0.000 0.961 453 D HN 0.436 nan 8.370 nan 0.000 0.447 454 E N 0.134 120.255 120.200 -0.131 0.000 2.085 454 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 454 E C 2.100 178.635 176.600 -0.109 0.000 0.994 454 E CA 0.693 57.032 56.400 -0.101 0.000 0.801 454 E CB -0.147 29.509 29.700 -0.073 0.000 0.743 454 E HN 0.256 nan 8.360 nan 0.000 0.453 455 M N 0.421 119.947 119.600 -0.122 0.000 2.082 455 M HA -0.173 4.305 4.480 -0.004 0.000 0.258 455 M C 2.285 178.485 176.300 -0.166 0.000 1.071 455 M CA 2.326 57.544 55.300 -0.137 0.000 1.103 455 M CB -0.533 31.980 32.600 -0.146 0.000 1.307 455 M HN 0.198 nan 8.290 nan 0.000 0.409 456 G N 0.731 109.424 108.800 -0.178 0.000 2.476 456 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.218 456 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.218 456 G C 1.433 176.230 174.900 -0.172 0.000 1.164 456 G CA 1.251 46.236 45.100 -0.192 0.000 0.768 456 G HN 0.507 nan 8.290 nan 0.000 0.560 457 L N 0.601 121.728 121.223 -0.160 0.000 2.131 457 L HA -0.064 4.274 4.340 -0.004 0.000 0.210 457 L C 3.369 180.200 176.870 -0.065 0.000 1.092 457 L CA 1.000 55.769 54.840 -0.120 0.000 0.759 457 L CB -0.294 41.705 42.059 -0.101 0.000 0.903 457 L HN 0.334 nan 8.230 nan 0.000 0.435 458 A N -0.682 122.091 122.820 -0.079 0.000 1.872 458 A HA -0.165 4.153 4.320 -0.004 0.000 0.214 458 A C 2.257 179.808 177.584 -0.056 0.000 1.187 458 A CA 1.194 53.198 52.037 -0.055 0.000 0.614 458 A CB -0.324 18.637 19.000 -0.065 0.000 0.826 458 A HN 0.227 nan 8.150 nan 0.000 0.442 459 M N -0.476 119.037 119.600 -0.146 0.000 2.213 459 M HA -0.117 4.361 4.480 -0.004 0.000 0.263 459 M C 1.899 178.247 176.300 0.079 0.000 1.062 459 M CA 1.709 56.867 55.300 -0.236 0.000 1.105 459 M CB -1.129 30.998 32.600 -0.788 0.000 1.385 459 M HN 0.564 nan 8.290 nan 0.000 0.417 460 E N 0.522 120.820 120.200 0.163 0.000 2.046 460 E HA -0.159 4.189 4.350 -0.004 0.000 0.190 460 E C 1.907 178.649 176.600 0.236 0.000 0.982 460 E CA 1.579 58.166 56.400 0.313 0.000 0.800 460 E CB -0.098 29.716 29.700 0.191 0.000 0.756 460 E HN 0.565 nan 8.360 nan 0.000 0.449 461 E N -1.165 119.117 120.200 0.138 0.000 2.046 461 E HA -0.086 4.262 4.350 -0.004 0.000 0.190 461 E C 1.896 178.579 176.600 0.138 0.000 0.982 461 E CA 1.186 57.664 56.400 0.129 0.000 0.800 461 E CB -0.365 29.379 29.700 0.073 0.000 0.756 461 E HN 0.332 nan 8.360 nan 0.000 0.449 462 G N -0.488 108.372 108.800 0.102 0.000 2.492 462 G HA2 -0.114 3.844 3.960 -0.004 0.000 0.214 462 G HA3 -0.114 3.844 3.960 -0.004 0.000 0.214 462 G C 0.905 175.869 174.900 0.107 0.000 1.147 462 G CA 0.462 45.614 45.100 0.087 0.000 0.809 462 G HN 0.333 nan 8.290 nan 0.000 0.533 463 C N 2.023 121.415 119.300 0.153 0.000 2.429 463 C HA 0.619 5.077 4.460 -0.004 0.000 0.310 463 C C 1.555 176.733 174.990 0.312 0.000 1.446 463 C CA -1.066 58.079 59.018 0.211 0.000 1.747 463 C CB -0.770 27.091 27.740 0.201 0.000 2.865 463 C HN 0.404 nan 8.230 nan 0.000 0.554 464 G N 0.972 109.880 108.800 0.179 0.000 2.630 464 G HA2 0.365 4.323 3.960 -0.004 0.000 0.223 464 G HA3 0.365 4.323 3.960 -0.004 0.000 0.223 464 G C 1.160 175.898 174.900 -0.270 0.000 1.434 464 G CA -0.285 44.841 45.100 0.044 0.000 1.057 464 G HN 0.214 nan 8.290 nan 0.000 0.570 465 I N -1.988 118.203 120.570 -0.632 0.000 2.286 465 I HA 0.034 4.202 4.170 -0.004 0.000 0.248 465 I C 0.366 175.992 176.117 -0.818 0.000 1.115 465 I CA 1.097 61.906 61.300 -0.818 0.000 1.392 465 I CB -1.373 36.084 38.000 -0.904 0.000 1.065 465 I HN 0.176 nan 8.210 nan 0.000 0.418 466 Y N 1.151 121.029 120.300 -0.703 0.000 2.338 466 Y HA 0.588 5.136 4.550 -0.003 0.000 0.333 466 Y C 0.090 175.760 175.900 -0.383 0.000 0.968 466 Y CA -0.915 56.816 58.100 -0.614 0.000 1.123 466 Y CB 1.591 39.499 38.460 -0.920 0.000 1.165 466 Y HN -0.091 nan 8.280 nan 0.000 0.452 467 R N 1.511 121.962 120.500 -0.082 0.000 2.445 467 R HA 0.533 4.871 4.340 -0.004 0.000 0.308 467 R C -0.684 175.591 176.300 -0.042 0.000 0.961 467 R CA -0.676 55.393 56.100 -0.052 0.000 0.862 467 R CB 1.642 31.914 30.300 -0.047 0.000 1.144 467 R HN 0.625 nan 8.270 nan 0.000 0.447 468 T N -0.460 114.094 114.554 -0.001 0.000 2.856 468 T HA 0.357 4.705 4.350 -0.004 0.000 0.283 468 T C -2.161 172.546 174.700 0.012 0.000 1.008 468 T CA -2.400 59.701 62.100 0.001 0.000 0.997 468 T CB 2.136 71.014 68.868 0.018 0.000 0.992 468 T HN 0.186 nan 8.240 nan 0.000 0.454 469 P HA -0.133 nan 4.420 nan 0.000 0.217 469 P C 1.517 178.824 177.300 0.011 0.000 1.148 469 P CA 0.772 63.877 63.100 0.009 0.000 0.828 469 P CB 0.203 31.907 31.700 0.006 0.000 0.783 470 E N -0.305 119.904 120.200 0.016 0.000 2.051 470 E HA -0.167 4.181 4.350 -0.004 0.000 0.192 470 E C 1.878 178.493 176.600 0.024 0.000 0.991 470 E CA 1.231 57.642 56.400 0.019 0.000 0.799 470 E CB -0.498 29.217 29.700 0.025 0.000 0.748 470 E HN 0.225 nan 8.360 nan 0.000 0.449 471 L N -0.064 121.180 121.223 0.035 0.000 2.095 471 L HA -0.100 4.238 4.340 -0.004 0.000 0.204 471 L C 2.815 179.706 176.870 0.034 0.000 1.080 471 L CA 0.515 55.381 54.840 0.044 0.000 0.759 471 L CB -0.314 41.787 42.059 0.070 0.000 0.914 471 L HN 0.173 nan 8.230 nan 0.000 0.439 472 M N -0.590 119.029 119.600 0.030 0.000 2.082 472 M HA -0.294 4.184 4.480 -0.004 0.000 0.258 472 M C 2.393 178.690 176.300 -0.005 0.000 1.069 472 M CA 1.879 57.192 55.300 0.021 0.000 1.102 472 M CB -0.471 32.143 32.600 0.023 0.000 1.336 472 M HN 0.219 nan 8.290 nan 0.000 0.404 473 Q N 0.961 120.753 119.800 -0.013 0.000 2.050 473 Q HA -0.192 4.146 4.340 -0.004 0.000 0.202 473 Q C 1.813 177.805 176.000 -0.013 0.000 0.980 473 Q CA 1.981 57.767 55.803 -0.029 0.000 0.840 473 Q CB -0.318 28.407 28.738 -0.022 0.000 0.898 473 Q HN 0.391 nan 8.270 nan 0.000 0.424 474 K N -1.223 119.179 120.400 0.003 0.000 2.113 474 K HA -0.172 4.146 4.320 -0.004 0.000 0.208 474 K C 1.840 178.443 176.600 0.006 0.000 1.047 474 K CA 1.825 58.117 56.287 0.009 0.000 0.928 474 K CB -0.283 32.228 32.500 0.019 0.000 0.716 474 K HN 0.255 nan 8.250 nan 0.000 0.446 475 T N 0.892 115.449 114.554 0.005 0.000 2.857 475 T HA 0.005 4.353 4.350 -0.004 0.000 0.266 475 T C 1.716 176.417 174.700 0.002 0.000 1.048 475 T CA 1.125 63.224 62.100 -0.001 0.000 1.139 475 T CB -0.046 68.822 68.868 -0.001 0.000 0.874 475 T HN 0.189 nan 8.240 nan 0.000 0.455 476 I N 1.122 121.693 120.570 0.001 0.000 2.315 476 I HA -0.145 4.023 4.170 -0.004 0.000 0.248 476 I C 2.056 178.197 176.117 0.040 0.000 1.117 476 I CA 1.068 62.385 61.300 0.029 0.000 1.404 476 I CB -0.228 37.724 38.000 -0.079 0.000 1.071 476 I HN 0.114 nan 8.210 nan 0.000 0.419 477 D N 0.584 120.993 120.400 0.014 0.000 2.219 477 D HA -0.164 4.473 4.640 -0.004 0.000 0.205 477 D C 2.061 178.371 176.300 0.017 0.000 0.970 477 D CA 0.990 55.001 54.000 0.018 0.000 0.851 477 D CB -0.003 40.803 40.800 0.010 0.000 0.943 477 D HN 0.066 nan 8.370 nan 0.000 0.488 478 K N 0.366 120.772 120.400 0.009 0.000 2.076 478 K HA 0.102 4.420 4.320 -0.004 0.000 0.204 478 K C 2.062 178.661 176.600 -0.003 0.000 1.051 478 K CA 0.454 56.741 56.287 -0.000 0.000 0.949 478 K CB -0.327 32.166 32.500 -0.012 0.000 0.726 478 K HN 0.077 nan 8.250 nan 0.000 0.443 479 L N 0.051 121.273 121.223 -0.002 0.000 2.046 479 L HA -0.164 4.173 4.340 -0.004 0.000 0.208 479 L C 2.380 179.253 176.870 0.005 0.000 1.077 479 L CA 1.398 56.231 54.840 -0.011 0.000 0.747 479 L CB -0.668 41.388 42.059 -0.005 0.000 0.896 479 L HN 0.226 nan 8.230 nan 0.000 0.432 480 A N -0.275 122.563 122.820 0.030 0.000 1.877 480 A HA -0.262 4.056 4.320 -0.004 0.000 0.216 480 A C 2.314 179.916 177.584 0.030 0.000 1.186 480 A CA 1.888 53.946 52.037 0.034 0.000 0.620 480 A CB -0.550 18.480 19.000 0.050 0.000 0.822 480 A HN 0.482 nan 8.150 nan 0.000 0.443 481 E N -0.000 120.215 120.200 0.025 0.000 2.077 481 E HA -0.150 4.198 4.350 -0.004 0.000 0.193 481 E C 1.823 178.443 176.600 0.033 0.000 0.989 481 E CA 1.035 57.451 56.400 0.026 0.000 0.800 481 E CB -0.207 29.504 29.700 0.018 0.000 0.746 481 E HN 0.627 nan 8.360 nan 0.000 0.452 482 L N 0.826 122.062 121.223 0.022 0.000 2.456 482 L HA -0.143 4.194 4.340 -0.004 0.000 0.224 482 L C 2.602 179.511 176.870 0.066 0.000 1.148 482 L CA 0.456 55.313 54.840 0.028 0.000 0.825 482 L CB -0.202 41.849 42.059 -0.013 0.000 0.937 482 L HN 0.180 nan 8.230 nan 0.000 0.450 483 Q N -0.154 119.683 119.800 0.062 0.000 2.062 483 Q HA -0.208 4.130 4.340 -0.004 0.000 0.196 483 Q C 1.973 178.064 176.000 0.151 0.000 0.967 483 Q CA 1.274 57.140 55.803 0.105 0.000 0.832 483 Q CB 0.025 28.798 28.738 0.058 0.000 0.899 483 Q HN 0.553 nan 8.270 nan 0.000 0.442 484 E N 0.585 120.841 120.200 0.093 0.000 2.110 484 E HA -0.161 4.186 4.350 -0.004 0.000 0.193 484 E C 1.895 178.546 176.600 0.084 0.000 0.988 484 E CA 0.646 57.090 56.400 0.074 0.000 0.804 484 E CB 0.222 29.950 29.700 0.047 0.000 0.745 484 E HN 0.105 nan 8.360 nan 0.000 0.458 485 R N -0.138 120.422 120.500 0.100 0.000 2.115 485 R HA -0.120 4.218 4.340 -0.004 0.000 0.230 485 R C 2.238 178.635 176.300 0.162 0.000 1.111 485 R CA 0.865 57.027 56.100 0.103 0.000 0.976 485 R CB -0.733 29.621 30.300 0.092 0.000 0.870 485 R HN 0.293 nan 8.270 nan 0.000 0.445 486 F N 2.508 122.475 119.950 0.028 0.000 2.216 486 F HA -0.115 4.410 4.527 -0.004 0.000 0.300 486 F C 1.577 177.398 175.800 0.036 0.000 1.085 486 F CA 1.351 59.377 58.000 0.043 0.000 1.326 486 F CB -0.008 39.018 39.000 0.042 0.000 1.027 486 F HN -0.140 nan 8.300 nan 0.000 0.497 487 K N -0.146 120.223 120.400 -0.052 0.000 2.459 487 K HA 0.051 4.369 4.320 -0.004 0.000 0.193 487 K C 0.966 177.499 176.600 -0.112 0.000 1.030 487 K CA 0.335 56.526 56.287 -0.161 0.000 1.026 487 K CB 0.046 32.510 32.500 -0.061 0.000 0.809 487 K HN 0.246 nan 8.250 nan 0.000 0.504 488 R N 0.927 121.395 120.500 -0.053 0.000 2.633 488 R HA 0.176 4.514 4.340 -0.004 0.000 0.348 488 R C -0.629 175.660 176.300 -0.018 0.000 1.100 488 R CA -0.147 55.936 56.100 -0.028 0.000 1.068 488 R CB 0.777 31.079 30.300 0.004 0.000 1.351 488 R HN -0.121 nan 8.270 nan 0.000 0.575 489 V N 1.687 121.567 119.914 -0.056 0.000 2.427 489 V HA 0.286 4.404 4.120 -0.004 0.000 0.286 489 V C -0.016 176.057 176.094 -0.034 0.000 1.034 489 V CA -0.850 61.447 62.300 -0.005 0.000 0.893 489 V CB 1.660 33.514 31.823 0.053 0.000 0.982 489 V HN 0.149 nan 8.190 nan 0.000 0.452 490 R N 4.952 125.457 120.500 0.009 0.000 2.295 490 R HA 0.486 4.824 4.340 -0.004 0.000 0.324 490 R C -0.656 175.648 176.300 0.007 0.000 0.968 490 R CA -0.318 55.778 56.100 -0.006 0.000 0.837 490 R CB 0.599 30.901 30.300 0.004 0.000 1.133 490 R HN 0.692 nan 8.270 nan 0.000 0.450 491 I N 5.639 126.190 120.570 -0.031 0.000 2.213 491 I HA 0.049 4.217 4.170 -0.004 0.000 0.295 491 I C 0.586 176.682 176.117 -0.035 0.000 1.172 491 I CA -0.145 61.127 61.300 -0.047 0.000 1.443 491 I CB 0.392 38.334 38.000 -0.096 0.000 1.491 491 I HN 0.772 nan 8.210 nan 0.000 0.652 492 T N 1.282 115.833 114.554 -0.005 0.000 2.896 492 T HA -0.217 4.131 4.350 -0.004 0.000 0.270 492 T C 0.700 175.392 174.700 -0.013 0.000 1.104 492 T CA 1.273 63.373 62.100 -0.000 0.000 1.115 492 T CB -0.434 68.448 68.868 0.023 0.000 0.843 492 T HN 0.495 nan 8.240 nan 0.000 0.523 493 D N 1.520 121.901 120.400 -0.031 0.000 2.380 493 D HA 0.205 4.843 4.640 -0.004 0.000 0.230 493 D C 0.913 177.180 176.300 -0.056 0.000 1.154 493 D CA -0.165 53.811 54.000 -0.041 0.000 0.859 493 D CB 0.791 41.556 40.800 -0.059 0.000 1.045 493 D HN 0.138 nan 8.370 nan 0.000 0.495 494 T N -0.358 114.171 114.554 -0.041 0.000 3.145 494 T HA 0.201 4.549 4.350 -0.004 0.000 0.255 494 T C 0.792 175.470 174.700 -0.038 0.000 1.039 494 T CA -0.557 61.518 62.100 -0.042 0.000 0.928 494 T CB 0.008 68.858 68.868 -0.030 0.000 1.029 494 T HN 0.133 nan 8.240 nan 0.000 0.554 495 S N 1.374 117.051 115.700 -0.037 0.000 2.632 495 S HA 0.373 4.841 4.470 -0.004 0.000 0.254 495 S C 0.972 175.552 174.600 -0.033 0.000 1.291 495 S CA -0.669 57.515 58.200 -0.026 0.000 0.974 495 S CB 0.648 63.838 63.200 -0.017 0.000 1.016 495 S HN 0.428 nan 8.310 nan 0.000 0.579 496 S N -1.090 114.600 115.700 -0.016 0.000 2.648 496 S HA 0.155 4.622 4.470 -0.004 0.000 0.270 496 S C -0.257 174.348 174.600 0.008 0.000 1.082 496 S CA -0.317 57.874 58.200 -0.015 0.000 1.116 496 S CB 0.544 63.740 63.200 -0.006 0.000 1.040 496 S HN 0.401 nan 8.310 nan 0.000 0.572 497 V N 3.361 123.294 119.914 0.033 0.000 2.372 497 V HA 0.387 4.505 4.120 -0.004 0.000 0.261 497 V C 0.012 176.198 176.094 0.154 0.000 1.055 497 V CA -0.461 61.888 62.300 0.082 0.000 0.930 497 V CB -0.861 31.002 31.823 0.066 0.000 1.031 497 V HN 0.517 nan 8.190 nan 0.000 0.479 498 F N 3.788 123.716 119.950 -0.037 0.000 2.738 498 F HA -0.258 4.267 4.527 -0.004 0.000 0.232 498 F C 0.782 176.533 175.800 -0.083 0.000 1.025 498 F CA 0.978 58.948 58.000 -0.049 0.000 0.895 498 F CB -0.466 38.516 39.000 -0.029 0.000 0.839 498 F HN 0.754 nan 8.300 nan 0.000 0.850 499 N N 1.145 119.758 118.700 -0.143 0.000 2.439 499 N HA 0.177 4.915 4.740 -0.004 0.000 0.243 499 N C 1.324 176.615 175.510 -0.365 0.000 1.088 499 N CA 0.397 53.335 53.050 -0.186 0.000 0.940 499 N CB 0.631 39.023 38.487 -0.158 0.000 1.180 499 N HN 0.418 nan 8.380 nan 0.000 0.505 500 T N 0.080 114.378 114.554 -0.427 0.000 2.985 500 T HA -0.124 4.224 4.350 -0.004 0.000 0.266 500 T C 1.330 175.457 174.700 -0.955 0.000 1.076 500 T CA 0.808 62.424 62.100 -0.806 0.000 1.135 500 T CB -0.122 68.221 68.868 -0.874 0.000 0.890 500 T HN 0.478 nan 8.240 nan 0.000 0.480 501 D N 1.192 121.263 120.400 -0.548 0.000 2.123 501 D HA -0.120 4.518 4.640 -0.004 0.000 0.196 501 D C 1.908 177.915 176.300 -0.488 0.000 0.992 501 D CA 1.002 54.735 54.000 -0.446 0.000 0.833 501 D CB -0.421 40.246 40.800 -0.221 0.000 0.954 501 D HN 0.324 nan 8.370 nan 0.000 0.455 502 L N 0.055 121.040 121.223 -0.396 0.000 2.027 502 L HA -0.035 4.303 4.340 -0.004 0.000 0.206 502 L C 2.144 178.771 176.870 -0.405 0.000 1.074 502 L CA 1.462 56.094 54.840 -0.348 0.000 0.745 502 L CB -0.538 41.342 42.059 -0.297 0.000 0.898 502 L HN 0.179 nan 8.230 nan 0.000 0.433 503 L N -1.608 119.335 121.223 -0.467 0.000 2.012 503 L HA -0.273 4.065 4.340 -0.004 0.000 0.210 503 L C 2.568 179.355 176.870 -0.139 0.000 1.073 503 L CA 1.803 56.414 54.840 -0.382 0.000 0.748 503 L CB -1.026 40.878 42.059 -0.258 0.000 0.891 503 L HN 0.319 nan 8.230 nan 0.000 0.431 504 Y N 0.007 120.084 120.300 -0.372 0.000 2.224 504 Y HA -0.228 4.320 4.550 -0.003 0.000 0.289 504 Y C 2.870 178.388 175.900 -0.637 0.000 1.146 504 Y CA 0.943 58.706 58.100 -0.562 0.000 1.182 504 Y CB -0.520 37.307 38.460 -1.056 0.000 0.983 504 Y HN 0.209 nan 8.280 nan 0.000 0.524 505 T N 0.515 114.771 114.554 -0.497 0.000 2.867 505 T HA -0.133 4.215 4.350 -0.004 0.000 0.268 505 T C 1.774 176.543 174.700 0.116 0.000 1.057 505 T CA 1.132 63.153 62.100 -0.131 0.000 1.136 505 T CB -0.305 68.495 68.868 -0.113 0.000 0.874 505 T HN 0.280 nan 8.240 nan 0.000 0.466 506 I N 1.066 121.617 120.570 -0.031 0.000 2.202 506 I HA -0.142 4.026 4.170 -0.004 0.000 0.242 506 I C 2.639 178.762 176.117 0.010 0.000 1.091 506 I CA 1.335 62.635 61.300 -0.001 0.000 1.368 506 I CB -0.364 37.483 38.000 -0.255 0.000 1.058 506 I HN 0.289 nan 8.210 nan 0.000 0.410 507 E N 0.611 120.835 120.200 0.040 0.000 2.085 507 E HA -0.284 4.064 4.350 -0.004 0.000 0.194 507 E C 2.111 178.737 176.600 0.044 0.000 0.994 507 E CA 1.311 57.728 56.400 0.030 0.000 0.801 507 E CB -0.270 29.499 29.700 0.114 0.000 0.743 507 E HN 0.290 nan 8.360 nan 0.000 0.453 508 L N 0.997 122.282 121.223 0.104 0.000 2.079 508 L HA -0.101 4.237 4.340 -0.004 0.000 0.210 508 L C 2.097 178.818 176.870 -0.248 0.000 1.081 508 L CA 2.331 57.203 54.840 0.052 0.000 0.752 508 L CB -1.013 41.221 42.059 0.292 0.000 0.896 508 L HN 0.089 nan 8.230 nan 0.000 0.433 509 G N -1.408 107.220 108.800 -0.287 0.000 2.459 509 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.217 509 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.217 509 G C 1.500 176.360 174.900 -0.066 0.000 1.183 509 G CA 1.023 45.862 45.100 -0.434 0.000 0.776 509 G HN 0.666 nan 8.290 nan 0.000 0.552 510 H N 0.308 119.325 119.070 -0.089 0.000 2.422 510 H HA -0.077 4.477 4.556 -0.004 0.000 0.298 510 H C 2.899 178.166 175.328 -0.101 0.000 1.098 510 H CA 0.423 56.432 56.048 -0.064 0.000 1.315 510 H CB -0.015 29.740 29.762 -0.011 0.000 1.382 510 H HN 0.435 nan 8.280 nan 0.000 0.523 511 G N 1.036 109.844 108.800 0.013 0.000 2.404 511 G HA2 -0.196 3.761 3.960 -0.004 0.000 0.215 511 G HA3 -0.196 3.761 3.960 -0.004 0.000 0.215 511 G C 1.757 176.587 174.900 -0.117 0.000 1.174 511 G CA 0.407 45.471 45.100 -0.061 0.000 0.780 511 G HN 0.204 nan 8.290 nan 0.000 0.537 512 L N 0.718 121.840 121.223 -0.169 0.000 2.042 512 L HA -0.130 4.208 4.340 -0.004 0.000 0.210 512 L C 2.710 179.497 176.870 -0.140 0.000 1.076 512 L CA 1.091 55.824 54.840 -0.178 0.000 0.749 512 L CB -0.374 41.532 42.059 -0.255 0.000 0.893 512 L HN 0.148 nan 8.230 nan 0.000 0.432 513 N N -0.571 118.051 118.700 -0.131 0.000 2.171 513 N HA -0.110 4.628 4.740 -0.004 0.000 0.184 513 N C 1.853 177.287 175.510 -0.127 0.000 1.021 513 N CA 1.160 54.135 53.050 -0.124 0.000 0.854 513 N CB -0.420 37.989 38.487 -0.130 0.000 0.994 513 N HN 0.130 nan 8.380 nan 0.000 0.426 514 V N 1.532 121.378 119.914 -0.113 0.000 2.515 514 V HA -0.107 4.011 4.120 -0.004 0.000 0.250 514 V C 2.421 178.447 176.094 -0.114 0.000 1.058 514 V CA 1.504 63.739 62.300 -0.109 0.000 1.064 514 V CB -0.977 30.794 31.823 -0.087 0.000 0.675 514 V HN 0.256 nan 8.190 nan 0.000 0.461 515 A N 0.006 122.751 122.820 -0.124 0.000 1.883 515 A HA -0.258 4.060 4.320 -0.004 0.000 0.217 515 A C 2.202 179.727 177.584 -0.098 0.000 1.186 515 A CA 1.987 53.942 52.037 -0.138 0.000 0.624 515 A CB -0.463 18.445 19.000 -0.154 0.000 0.822 515 A HN 0.612 nan 8.150 nan 0.000 0.444 516 E N -0.720 119.422 120.200 -0.097 0.000 2.110 516 E HA -0.179 4.169 4.350 -0.004 0.000 0.193 516 E C 2.141 178.677 176.600 -0.106 0.000 0.988 516 E CA 1.244 57.590 56.400 -0.090 0.000 0.804 516 E CB -0.415 29.172 29.700 -0.188 0.000 0.745 516 E HN 0.727 nan 8.360 nan 0.000 0.458 517 C N 0.766 119.988 119.300 -0.130 0.000 2.413 517 C HA -0.166 4.292 4.460 -0.004 0.000 0.276 517 C C 2.722 177.673 174.990 -0.065 0.000 1.236 517 C CA 0.733 59.686 59.018 -0.110 0.000 1.735 517 C CB -0.868 26.798 27.740 -0.123 0.000 2.031 517 C HN 0.438 nan 8.230 nan 0.000 0.474 518 M N 1.471 121.029 119.600 -0.070 0.000 2.065 518 M HA -0.148 4.330 4.480 -0.004 0.000 0.259 518 M C 2.614 178.890 176.300 -0.040 0.000 1.069 518 M CA 2.232 57.491 55.300 -0.068 0.000 1.110 518 M CB -0.706 31.859 32.600 -0.057 0.000 1.328 518 M HN 0.446 nan 8.290 nan 0.000 0.405 519 A N -0.245 122.579 122.820 0.008 0.000 1.865 519 A HA -0.213 4.105 4.320 -0.004 0.000 0.217 519 A C 1.781 179.402 177.584 0.062 0.000 1.191 519 A CA 2.058 54.120 52.037 0.042 0.000 0.623 519 A CB -1.184 17.855 19.000 0.065 0.000 0.826 519 A HN 0.478 nan 8.150 nan 0.000 0.444 520 H N -0.132 118.909 119.070 -0.047 0.000 2.353 520 H HA -0.041 4.513 4.556 -0.003 0.000 0.300 520 H C 2.585 177.889 175.328 -0.042 0.000 1.090 520 H CA 1.583 57.614 56.048 -0.029 0.000 1.327 520 H CB -0.313 29.434 29.762 -0.024 0.000 1.383 520 H HN 0.449 nan 8.280 nan 0.000 0.508 521 S N -0.068 115.654 115.700 0.038 0.000 2.359 521 S HA -0.206 4.262 4.470 -0.004 0.000 0.224 521 S C 2.437 176.949 174.600 -0.147 0.000 1.035 521 S CA 1.022 59.180 58.200 -0.070 0.000 1.018 521 S CB -0.440 62.667 63.200 -0.156 0.000 0.876 521 S HN 0.601 nan 8.310 nan 0.000 0.448 522 A N 1.183 123.887 122.820 -0.193 0.000 1.873 522 A HA -0.065 4.253 4.320 -0.004 0.000 0.215 522 A C 2.125 179.677 177.584 -0.055 0.000 1.186 522 A CA 1.832 53.695 52.037 -0.291 0.000 0.616 522 A CB -0.637 18.297 19.000 -0.110 0.000 0.823 522 A HN 0.475 nan 8.150 nan 0.000 0.442 523 M N 0.220 119.817 119.600 -0.005 0.000 2.202 523 M HA -0.059 4.419 4.480 -0.004 0.000 0.262 523 M C 1.913 178.239 176.300 0.044 0.000 1.063 523 M CA 1.868 57.176 55.300 0.013 0.000 1.097 523 M CB -0.333 32.231 32.600 -0.061 0.000 1.382 523 M HN 0.350 nan 8.290 nan 0.000 0.413 524 A N -0.578 122.284 122.820 0.071 0.000 2.030 524 A HA 0.065 4.383 4.320 -0.004 0.000 0.215 524 A C 1.563 179.283 177.584 0.227 0.000 1.164 524 A CA 0.189 52.334 52.037 0.180 0.000 0.697 524 A CB -0.410 18.752 19.000 0.271 0.000 0.827 524 A HN 0.485 nan 8.150 nan 0.000 0.457 525 R N 1.436 121.984 120.500 0.079 0.000 2.441 525 R HA 0.141 4.479 4.340 -0.004 0.000 0.300 525 R C -0.720 175.396 176.300 -0.307 0.000 1.284 525 R CA -0.035 55.986 56.100 -0.132 0.000 1.069 525 R CB -0.186 30.004 30.300 -0.183 0.000 1.087 525 R HN 0.190 nan 8.270 nan 0.000 0.519 526 K N 4.618 124.631 120.400 -0.646 0.000 2.751 526 K HA 0.012 4.330 4.320 -0.004 0.000 0.252 526 K C -0.580 175.676 176.600 -0.574 0.000 1.277 526 K CA 0.011 56.065 56.287 -0.388 0.000 1.226 526 K CB 0.032 32.502 32.500 -0.049 0.000 1.658 526 K HN 0.671 nan 8.250 nan 0.000 0.303 527 E N -1.844 118.081 120.200 -0.458 0.000 2.447 527 E HA 0.367 4.715 4.350 -0.004 0.000 0.279 527 E C -1.268 175.282 176.600 -0.084 0.000 1.053 527 E CA -1.076 55.164 56.400 -0.266 0.000 0.840 527 E CB 1.220 30.726 29.700 -0.323 0.000 1.409 527 E HN -0.129 nan 8.360 nan 0.000 0.461 528 S N 0.010 115.690 115.700 -0.033 0.000 2.659 528 S HA 0.578 5.046 4.470 -0.004 0.000 0.312 528 S C -1.091 173.549 174.600 0.067 0.000 1.114 528 S CA -0.706 57.487 58.200 -0.012 0.000 1.063 528 S CB 0.891 64.063 63.200 -0.046 0.000 0.996 528 S HN 0.435 nan 8.310 nan 0.000 0.478 529 R N 1.801 122.394 120.500 0.155 0.000 2.548 529 R HA 0.549 4.887 4.340 -0.004 0.000 0.280 529 R C 0.803 177.188 176.300 0.141 0.000 1.061 529 R CA 0.229 56.416 56.100 0.145 0.000 0.915 529 R CB 1.282 31.690 30.300 0.180 0.000 1.210 529 R HN 0.875 nan 8.270 nan 0.000 0.442 530 G N 2.266 111.086 108.800 0.034 0.000 2.684 530 G HA2 -0.480 3.478 3.960 -0.004 0.000 0.332 530 G HA3 -0.480 3.478 3.960 -0.004 0.000 0.332 530 G C 0.878 175.818 174.900 0.067 0.000 1.306 530 G CA 0.945 46.041 45.100 -0.007 0.000 1.002 530 G HN 0.832 nan 8.290 nan 0.000 0.545 531 A N -0.781 122.120 122.820 0.134 0.000 2.070 531 A HA 0.128 4.446 4.320 -0.004 0.000 0.220 531 A C 1.333 179.056 177.584 0.232 0.000 1.159 531 A CA 2.248 54.395 52.037 0.182 0.000 0.656 531 A CB -0.372 18.788 19.000 0.266 0.000 0.800 531 A HN 1.309 nan 8.150 nan 0.000 0.453 532 H N 0.874 120.095 119.070 0.252 0.000 2.640 532 H HA 0.469 5.023 4.556 -0.003 0.000 0.297 532 H C -0.629 174.735 175.328 0.060 0.000 1.073 532 H CA -0.240 55.894 56.048 0.142 0.000 1.305 532 H CB 0.171 30.037 29.762 0.173 0.000 1.404 532 H HN 0.219 nan 8.280 nan 0.000 0.459 533 Q N 4.830 124.447 119.800 -0.304 0.000 2.321 533 Q HA 0.406 4.744 4.340 -0.004 0.000 0.270 533 Q C -0.452 175.380 176.000 -0.280 0.000 1.032 533 Q CA -0.746 54.911 55.803 -0.242 0.000 0.784 533 Q CB 2.619 31.282 28.738 -0.124 0.000 1.264 533 Q HN 0.726 nan 8.270 nan 0.000 0.448 534 R N 1.712 122.069 120.500 -0.239 0.000 2.664 534 R HA 0.510 4.848 4.340 -0.004 0.000 0.286 534 R C 1.000 177.243 176.300 -0.095 0.000 0.967 534 R CA -0.524 55.468 56.100 -0.180 0.000 0.933 534 R CB 1.526 31.710 30.300 -0.192 0.000 1.146 534 R HN 0.473 nan 8.270 nan 0.000 0.468 535 L N 0.662 121.828 121.223 -0.096 0.000 2.408 535 L HA 0.029 4.367 4.340 -0.004 0.000 0.215 535 L C 0.531 177.356 176.870 -0.075 0.000 1.081 535 L CA 0.139 54.910 54.840 -0.114 0.000 0.840 535 L CB -0.172 41.797 42.059 -0.149 0.000 1.002 535 L HN 0.719 nan 8.230 nan 0.000 0.468 536 D N 2.109 122.476 120.400 -0.056 0.000 2.455 536 D HA -0.088 4.550 4.640 -0.004 0.000 0.241 536 D C 0.096 176.376 176.300 -0.033 0.000 1.138 536 D CA -0.206 53.772 54.000 -0.036 0.000 0.877 536 D CB 0.706 41.491 40.800 -0.024 0.000 1.187 536 D HN 0.321 nan 8.370 nan 0.000 0.451 537 E N 0.565 120.751 120.200 -0.023 0.000 2.414 537 E HA 0.303 4.651 4.350 -0.004 0.000 0.263 537 E C 0.905 177.499 176.600 -0.009 0.000 1.000 537 E CA -0.230 56.160 56.400 -0.017 0.000 0.914 537 E CB 0.203 29.896 29.700 -0.012 0.000 0.948 537 E HN 0.729 nan 8.360 nan 0.000 0.444 538 G N 2.360 111.156 108.800 -0.007 0.000 2.175 538 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.244 538 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.244 538 G C 0.510 175.407 174.900 -0.004 0.000 0.982 538 G CA 0.068 45.170 45.100 0.004 0.000 0.641 538 G HN 0.643 nan 8.290 nan 0.000 0.527 539 C N -0.117 119.168 119.300 -0.026 0.000 3.919 539 C HA 0.288 4.745 4.460 -0.004 0.000 0.422 539 C C 2.676 177.631 174.990 -0.058 0.000 1.533 539 C CA 1.271 60.256 59.018 -0.055 0.000 2.014 539 C CB -0.239 27.459 27.740 -0.069 0.000 2.967 539 C HN 0.871 nan 8.230 nan 0.000 0.692 540 T N 0.805 115.334 114.554 -0.042 0.000 3.052 540 T HA -0.093 4.255 4.350 -0.004 0.000 0.270 540 T C 0.428 175.118 174.700 -0.016 0.000 1.147 540 T CA 1.233 63.313 62.100 -0.035 0.000 1.089 540 T CB -0.357 68.493 68.868 -0.030 0.000 0.875 540 T HN 0.826 nan 8.240 nan 0.000 0.541 541 E N -0.146 120.047 120.200 -0.011 0.000 2.393 541 E HA 0.477 4.825 4.350 -0.004 0.000 0.265 541 E C -0.895 175.712 176.600 0.012 0.000 0.941 541 E CA -1.407 54.996 56.400 0.005 0.000 0.801 541 E CB 1.509 31.214 29.700 0.009 0.000 1.313 541 E HN 0.031 nan 8.360 nan 0.000 0.435 542 R N 0.742 121.258 120.500 0.027 0.000 2.347 542 R HA 0.048 4.386 4.340 -0.004 0.000 0.304 542 R C -0.797 175.532 176.300 0.049 0.000 1.072 542 R CA -0.036 56.090 56.100 0.044 0.000 0.980 542 R CB 0.439 30.769 30.300 0.051 0.000 0.986 542 R HN 0.453 nan 8.270 nan 0.000 0.448 543 D N 3.435 123.884 120.400 0.081 0.000 2.479 543 D HA 0.084 4.722 4.640 -0.004 0.000 0.247 543 D C -0.621 175.758 176.300 0.132 0.000 1.119 543 D CA -0.357 53.715 54.000 0.121 0.000 0.922 543 D CB 0.889 41.815 40.800 0.211 0.000 1.014 543 D HN 0.447 nan 8.370 nan 0.000 0.510 544 D N 1.637 122.075 120.400 0.063 0.000 2.336 544 D HA -0.001 4.636 4.640 -0.004 0.000 0.229 544 D C 1.667 177.978 176.300 0.017 0.000 1.061 544 D CA 0.301 54.321 54.000 0.033 0.000 0.875 544 D CB 0.921 41.704 40.800 -0.029 0.000 0.904 544 D HN 0.223 nan 8.370 nan 0.000 0.525 545 V N -0.301 119.631 119.914 0.030 0.000 3.212 545 V HA 0.096 4.213 4.120 -0.004 0.000 0.244 545 V C 1.471 177.549 176.094 -0.026 0.000 1.151 545 V CA 0.732 63.032 62.300 -0.001 0.000 1.119 545 V CB 0.105 31.928 31.823 -0.001 0.000 0.838 545 V HN 0.178 nan 8.190 nan 0.000 0.470 546 N N -1.147 117.553 118.700 0.000 0.000 2.397 546 N HA 0.171 4.909 4.740 -0.004 0.000 0.190 546 N C 0.544 175.840 175.510 -0.356 0.000 1.099 546 N CA 0.431 53.380 53.050 -0.169 0.000 0.876 546 N CB 0.550 38.959 38.487 -0.130 0.000 1.143 546 N HN 0.366 nan 8.380 nan 0.000 0.468 547 F N 1.026 120.955 119.950 -0.034 0.000 2.735 547 F HA 0.288 4.813 4.527 -0.004 0.000 0.304 547 F C 0.136 175.950 175.800 0.022 0.000 1.119 547 F CA -0.484 57.507 58.000 -0.015 0.000 1.280 547 F CB 0.531 39.548 39.000 0.029 0.000 0.994 547 F HN -0.037 nan 8.300 nan 0.000 0.520 548 L N 3.669 124.965 121.223 0.122 0.000 2.437 548 L HA 0.286 4.624 4.340 -0.004 0.000 0.243 548 L C 0.073 176.957 176.870 0.023 0.000 1.346 548 L CA 0.154 55.039 54.840 0.075 0.000 1.233 548 L CB -1.877 40.206 42.059 0.040 0.000 1.436 548 L HN 0.289 nan 8.230 nan 0.000 0.416 549 K N 0.078 120.506 120.400 0.046 0.000 2.578 549 K HA 0.469 4.787 4.320 -0.004 0.000 0.287 549 K C -1.172 175.469 176.600 0.069 0.000 1.010 549 K CA -0.932 55.364 56.287 0.015 0.000 0.889 549 K CB 1.071 33.632 32.500 0.102 0.000 1.514 549 K HN 0.083 nan 8.250 nan 0.000 0.424 550 H N 0.343 119.560 119.070 0.246 0.000 2.482 550 H HA 0.252 4.806 4.556 -0.003 0.000 0.344 550 H C -0.425 175.034 175.328 0.218 0.000 1.151 550 H CA -0.299 55.887 56.048 0.230 0.000 1.300 550 H CB 1.847 31.692 29.762 0.139 0.000 1.494 550 H HN 0.493 nan 8.280 nan 0.000 0.542 551 T N 3.772 118.478 114.554 0.253 0.000 2.799 551 T HA 0.368 4.716 4.350 -0.004 0.000 0.286 551 T C 0.429 175.077 174.700 -0.086 0.000 0.973 551 T CA -0.634 61.434 62.100 -0.054 0.000 1.035 551 T CB 0.208 69.034 68.868 -0.070 0.000 0.932 551 T HN 0.223 nan 8.240 nan 0.000 0.469 552 L N 3.120 124.248 121.223 -0.158 0.000 2.319 552 L HA 0.711 5.049 4.340 -0.004 0.000 0.281 552 L C 0.206 177.063 176.870 -0.022 0.000 1.005 552 L CA -1.015 53.779 54.840 -0.077 0.000 0.828 552 L CB 1.328 43.433 42.059 0.076 0.000 1.227 552 L HN 0.625 nan 8.230 nan 0.000 0.415 553 A N 3.435 126.151 122.820 -0.172 0.000 2.312 553 A HA 0.895 5.213 4.320 -0.004 0.000 0.326 553 A C -1.139 176.300 177.584 -0.242 0.000 1.172 553 A CA -0.253 51.741 52.037 -0.073 0.000 0.821 553 A CB 0.666 19.598 19.000 -0.113 0.000 1.166 553 A HN 0.486 nan 8.150 nan 0.000 0.493 554 F N 0.283 120.173 119.950 -0.101 0.000 2.556 554 F HA 0.595 5.119 4.527 -0.004 0.000 0.314 554 F C 0.389 176.130 175.800 -0.098 0.000 1.106 554 F CA -0.629 57.318 58.000 -0.088 0.000 0.911 554 F CB 2.355 41.314 39.000 -0.069 0.000 1.190 554 F HN 0.578 nan 8.300 nan 0.000 0.448 555 R N 2.495 123.023 120.500 0.046 0.000 3.256 555 R HA 0.268 4.606 4.340 -0.004 0.000 0.263 555 R C -0.938 175.359 176.300 -0.005 0.000 1.388 555 R CA -0.369 55.718 56.100 -0.021 0.000 1.580 555 R CB -0.621 29.629 30.300 -0.083 0.000 1.255 555 R HN 0.440 nan 8.270 nan 0.000 0.640 556 D N 2.033 122.445 120.400 0.020 0.000 2.548 556 D HA -0.076 4.562 4.640 -0.004 0.000 0.231 556 D C 1.107 177.399 176.300 -0.013 0.000 1.142 556 D CA 0.865 54.871 54.000 0.009 0.000 0.866 556 D CB 0.979 41.779 40.800 0.001 0.000 1.190 556 D HN 0.562 nan 8.370 nan 0.000 0.469 557 A N 3.251 126.063 122.820 -0.014 0.000 2.104 557 A HA -0.245 4.073 4.320 -0.004 0.000 0.223 557 A C 1.404 178.978 177.584 -0.017 0.000 1.164 557 A CA 1.721 53.745 52.037 -0.022 0.000 0.659 557 A CB -0.337 18.654 19.000 -0.015 0.000 0.808 557 A HN 0.663 nan 8.150 nan 0.000 0.465 558 D N -1.270 119.122 120.400 -0.013 0.000 2.378 558 D HA 0.126 4.764 4.640 -0.004 0.000 0.227 558 D C 1.282 177.576 176.300 -0.009 0.000 1.012 558 D CA 0.948 54.943 54.000 -0.009 0.000 0.905 558 D CB -0.566 40.230 40.800 -0.007 0.000 0.895 558 D HN 0.820 nan 8.370 nan 0.000 0.532 559 G N 1.351 110.141 108.800 -0.017 0.000 2.148 559 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.254 559 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.254 559 G C 0.449 175.331 174.900 -0.030 0.000 0.981 559 G CA 0.694 45.783 45.100 -0.019 0.000 0.670 559 G HN 0.649 nan 8.290 nan 0.000 0.528 560 T N -1.566 112.969 114.554 -0.031 0.000 2.895 560 T HA 0.695 5.043 4.350 -0.004 0.000 0.283 560 T C 0.015 174.675 174.700 -0.066 0.000 1.014 560 T CA 0.096 62.171 62.100 -0.041 0.000 1.037 560 T CB 2.281 71.141 68.868 -0.013 0.000 1.006 560 T HN 0.306 nan 8.240 nan 0.000 0.468 561 T N 2.921 117.398 114.554 -0.129 0.000 2.845 561 T HA 0.568 4.916 4.350 -0.004 0.000 0.288 561 T C -0.143 174.528 174.700 -0.049 0.000 0.980 561 T CA -0.827 61.178 62.100 -0.158 0.000 1.071 561 T CB 0.821 69.424 68.868 -0.442 0.000 0.941 561 T HN 0.643 nan 8.240 nan 0.000 0.487 562 R N 2.807 123.316 120.500 0.016 0.000 2.628 562 R HA 0.553 4.890 4.340 -0.004 0.000 0.288 562 R C -1.643 174.706 176.300 0.081 0.000 0.980 562 R CA -0.659 55.463 56.100 0.036 0.000 0.891 562 R CB 1.258 31.549 30.300 -0.015 0.000 1.188 562 R HN 0.599 nan 8.270 nan 0.000 0.450 563 L N 2.415 123.666 121.223 0.047 0.000 2.334 563 L HA 0.599 4.937 4.340 -0.004 0.000 0.272 563 L C 0.156 176.994 176.870 -0.054 0.000 1.020 563 L CA -0.602 54.238 54.840 -0.001 0.000 0.812 563 L CB 1.946 43.977 42.059 -0.046 0.000 1.264 563 L HN 0.661 nan 8.230 nan 0.000 0.439 564 E N -0.035 120.078 120.200 -0.145 0.000 2.460 564 E HA 0.549 4.897 4.350 -0.004 0.000 0.277 564 E C -1.921 174.480 176.600 -0.331 0.000 1.010 564 E CA -0.761 55.594 56.400 -0.075 0.000 0.838 564 E CB 2.741 32.460 29.700 0.032 0.000 1.448 564 E HN 0.278 nan 8.360 nan 0.000 0.462 565 Y N -0.477 119.885 120.300 0.104 0.000 2.644 565 Y HA 0.541 5.089 4.550 -0.003 0.000 0.338 565 Y C -0.419 175.548 175.900 0.111 0.000 1.119 565 Y CA -0.554 57.613 58.100 0.110 0.000 1.060 565 Y CB 2.363 40.861 38.460 0.062 0.000 1.294 565 Y HN 0.558 nan 8.280 nan 0.000 0.472 566 S N -0.805 115.076 115.700 0.302 0.000 2.565 566 S HA 0.417 4.885 4.470 -0.004 0.000 0.269 566 S C -2.012 172.725 174.600 0.229 0.000 1.153 566 S CA -1.268 57.069 58.200 0.229 0.000 0.835 566 S CB 1.984 65.306 63.200 0.203 0.000 1.122 566 S HN 0.463 nan 8.310 nan 0.000 0.462 567 D N 0.953 121.456 120.400 0.173 0.000 2.414 567 D HA 0.301 4.939 4.640 -0.004 0.000 0.242 567 D C -0.330 176.069 176.300 0.165 0.000 1.129 567 D CA 0.045 54.122 54.000 0.128 0.000 0.885 567 D CB 1.271 42.126 40.800 0.091 0.000 1.198 567 D HN 0.383 nan 8.370 nan 0.000 0.437 568 V N 3.321 123.269 119.914 0.058 0.000 2.288 568 V HA 0.058 4.176 4.120 -0.004 0.000 0.266 568 V C 0.622 176.778 176.094 0.104 0.000 1.048 568 V CA -0.708 61.618 62.300 0.044 0.000 0.842 568 V CB 0.527 32.297 31.823 -0.088 0.000 1.064 568 V HN 0.348 nan 8.190 nan 0.000 0.472 569 K N 5.493 125.977 120.400 0.140 0.000 2.447 569 K HA 0.200 4.518 4.320 -0.004 0.000 0.281 569 K C -0.342 176.338 176.600 0.134 0.000 1.031 569 K CA -0.098 56.261 56.287 0.121 0.000 1.019 569 K CB 0.288 32.856 32.500 0.114 0.000 0.918 569 K HN 0.449 nan 8.250 nan 0.000 0.476 570 I N 3.625 124.273 120.570 0.129 0.000 2.822 570 I HA 0.223 4.391 4.170 -0.004 0.000 0.312 570 I C 0.864 177.075 176.117 0.158 0.000 1.011 570 I CA -0.562 60.834 61.300 0.160 0.000 1.105 570 I CB 1.545 39.635 38.000 0.150 0.000 1.291 570 I HN 0.817 nan 8.210 nan 0.000 0.474 571 T N 0.986 115.661 114.554 0.201 0.000 3.429 571 T HA 0.007 4.354 4.350 -0.004 0.000 0.212 571 T C 1.083 175.892 174.700 0.182 0.000 0.980 571 T CA 0.414 62.626 62.100 0.188 0.000 1.201 571 T CB 0.292 69.302 68.868 0.238 0.000 1.289 571 T HN 0.680 nan 8.240 nan 0.000 0.346 572 T N 0.452 115.157 114.554 0.252 0.000 3.111 572 T HA 0.439 4.787 4.350 -0.004 0.000 0.284 572 T C -0.960 173.896 174.700 0.260 0.000 0.983 572 T CA -0.160 62.072 62.100 0.219 0.000 0.900 572 T CB -0.057 68.925 68.868 0.189 0.000 1.132 572 T HN 0.021 nan 8.240 nan 0.000 0.531 573 L N 3.448 124.856 121.223 0.308 0.000 2.454 573 L HA 0.580 4.918 4.340 -0.004 0.000 0.258 573 L C -2.736 174.360 176.870 0.376 0.000 1.025 573 L CA -2.117 52.936 54.840 0.356 0.000 0.901 573 L CB 1.736 44.032 42.059 0.396 0.000 1.210 573 L HN -0.074 nan 8.230 nan 0.000 0.457 574 P HA 0.290 nan 4.420 nan 0.000 0.274 574 P C -2.646 174.477 177.300 -0.296 0.000 1.231 574 P CA -1.241 61.867 63.100 0.014 0.000 0.790 574 P CB 0.036 31.729 31.700 -0.012 0.000 0.951 575 P HA 0.281 nan 4.420 nan 0.000 0.280 575 P C -2.240 174.684 177.300 -0.626 0.000 1.386 575 P CA -0.136 62.298 63.100 -1.110 0.000 0.899 575 P CB 1.167 32.441 31.700 -0.711 0.000 1.098 576 A N 0.000 122.428 122.820 -0.653 0.000 2.254 576 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 576 A CA 0.000 51.831 52.037 -0.344 0.000 0.836 576 A CB 0.000 18.875 19.000 -0.209 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486