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 2bcn_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHISGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE AGYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.682 174.700 -0.029 0.000 1.109 1 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 1 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 2 T N 1.271 115.806 114.554 -0.032 0.000 2.631 2 T HA 0.379 4.774 4.350 0.075 0.000 0.276 2 T C -3.100 171.571 174.700 -0.049 0.000 1.904 2 T CA -0.454 61.624 62.100 -0.037 0.000 0.977 2 T CB 0.139 68.986 68.868 -0.036 0.000 2.099 2 T HN 0.325 nan 8.240 nan 0.000 0.488 3 P HA 0.419 nan 4.420 nan 0.000 0.271 3 P C -0.146 177.078 177.300 -0.126 0.000 1.216 3 P CA -0.297 62.758 63.100 -0.075 0.000 0.776 3 P CB -0.114 31.549 31.700 -0.062 0.000 0.881 4 L N 0.784 121.913 121.223 -0.158 0.000 3.869 4 L HA -0.175 4.210 4.340 0.075 0.000 0.545 4 L C 0.027 176.641 176.870 -0.425 0.000 0.998 4 L CA 0.160 54.804 54.840 -0.326 0.000 0.957 4 L CB -1.399 40.441 42.059 -0.366 0.000 0.746 4 L HN 0.161 nan 8.230 nan 0.000 0.820 5 V N 3.923 123.623 119.914 -0.357 0.000 2.368 5 V HA 0.161 4.326 4.120 0.075 0.000 0.266 5 V C 0.640 176.477 176.094 -0.428 0.000 1.045 5 V CA -0.342 61.763 62.300 -0.324 0.000 0.899 5 V CB 0.886 32.605 31.823 -0.174 0.000 1.006 5 V HN 0.422 nan 8.190 nan 0.000 0.470 6 H N 4.106 122.946 119.070 -0.382 0.000 2.818 6 H HA 0.315 4.916 4.556 0.076 0.000 0.269 6 H C -0.194 174.721 175.328 -0.688 0.000 1.277 6 H CA -0.288 55.267 56.048 -0.821 0.000 1.290 6 H CB 1.151 30.181 29.762 -1.220 0.000 1.479 6 H HN 0.362 nan 8.280 nan 0.000 0.507 7 V N 2.664 122.421 119.914 -0.261 0.000 2.488 7 V HA 0.240 4.405 4.120 0.075 0.000 0.277 7 V C 0.906 177.029 176.094 0.048 0.000 1.046 7 V CA -0.784 61.446 62.300 -0.117 0.000 0.986 7 V CB 0.908 32.695 31.823 -0.059 0.000 0.989 7 V HN 0.794 nan 8.190 nan 0.000 0.475 8 A N 4.326 127.114 122.820 -0.054 0.000 2.440 8 A HA 0.524 4.889 4.320 0.075 0.000 0.251 8 A C 0.430 178.062 177.584 0.080 0.000 1.089 8 A CA 0.092 52.143 52.037 0.024 0.000 0.779 8 A CB 0.472 19.365 19.000 -0.179 0.000 1.022 8 A HN 0.857 nan 8.150 nan 0.000 0.492 9 S N 2.531 118.293 115.700 0.102 0.000 2.789 9 S HA 0.431 4.945 4.470 0.075 0.000 0.286 9 S C -0.537 174.132 174.600 0.116 0.000 1.153 9 S CA -0.594 57.667 58.200 0.101 0.000 1.084 9 S CB 0.372 63.634 63.200 0.102 0.000 1.036 9 S HN 0.761 nan 8.310 nan 0.000 0.484 10 V N 4.836 124.833 119.914 0.138 0.000 2.617 10 V HA 0.042 4.207 4.120 0.075 0.000 0.304 10 V C 0.500 176.727 176.094 0.221 0.000 1.040 10 V CA 0.100 62.524 62.300 0.207 0.000 1.149 10 V CB -0.065 31.889 31.823 0.219 0.000 0.914 10 V HN 0.843 nan 8.190 nan 0.000 0.487 11 E N 4.888 125.278 120.200 0.317 0.000 2.311 11 E HA 0.083 4.478 4.350 0.075 0.000 0.247 11 E C 0.150 176.839 176.600 0.148 0.000 1.215 11 E CA -0.029 56.534 56.400 0.272 0.000 0.957 11 E CB -0.423 29.545 29.700 0.447 0.000 1.020 11 E HN 0.579 nan 8.360 nan 0.000 0.461 12 K N 2.869 123.328 120.400 0.098 0.000 4.462 12 K HA -0.246 4.119 4.320 0.075 0.000 0.278 12 K C 0.887 177.473 176.600 -0.022 0.000 0.789 12 K CA 0.940 57.252 56.287 0.042 0.000 0.765 12 K CB -1.951 30.575 32.500 0.042 0.000 1.839 12 K HN 0.896 nan 8.250 nan 0.000 0.418 13 G N -0.593 108.204 108.800 -0.006 0.000 2.175 13 G HA2 -0.289 3.715 3.960 0.075 0.000 0.244 13 G HA3 -0.289 3.715 3.960 0.075 0.000 0.244 13 G C -0.250 174.563 174.900 -0.145 0.000 0.982 13 G CA -0.075 44.983 45.100 -0.070 0.000 0.641 13 G HN 0.362 nan 8.290 nan 0.000 0.527 14 R N 0.466 120.904 120.500 -0.105 0.000 2.668 14 R HA 0.836 5.221 4.340 0.075 0.000 0.279 14 R C 0.366 176.716 176.300 0.084 0.000 0.976 14 R CA 0.254 56.238 56.100 -0.193 0.000 0.978 14 R CB 1.694 31.743 30.300 -0.418 0.000 1.133 14 R HN 0.738 nan 8.270 nan 0.000 0.484 15 S N -0.116 115.612 115.700 0.047 0.000 2.840 15 S HA 0.177 4.691 4.470 0.075 0.000 0.307 15 S C 0.771 175.443 174.600 0.121 0.000 1.180 15 S CA -0.725 57.592 58.200 0.195 0.000 0.846 15 S CB 0.509 63.776 63.200 0.112 0.000 1.233 15 S HN 0.643 nan 8.310 nan 0.000 0.548 16 Y N 1.166 121.300 120.300 -0.278 0.000 2.069 16 Y HA -0.221 4.373 4.550 0.073 0.000 0.278 16 Y C 2.486 178.299 175.900 -0.145 0.000 1.175 16 Y CA 2.708 60.444 58.100 -0.606 0.000 1.134 16 Y CB -0.428 37.717 38.460 -0.525 0.000 0.965 16 Y HN 0.916 nan 8.280 nan 0.000 0.498 17 E N -0.327 119.771 120.200 -0.170 0.000 2.160 17 E HA -0.246 4.149 4.350 0.075 0.000 0.195 17 E C 1.558 178.035 176.600 -0.204 0.000 0.991 17 E CA 1.622 57.897 56.400 -0.208 0.000 0.810 17 E CB -0.231 29.436 29.700 -0.054 0.000 0.742 17 E HN 0.641 nan 8.360 nan 0.000 0.466 18 D N -0.487 119.781 120.400 -0.219 0.000 2.149 18 D HA -0.115 4.570 4.640 0.075 0.000 0.201 18 D C 1.688 177.825 176.300 -0.271 0.000 0.972 18 D CA 0.832 54.658 54.000 -0.291 0.000 0.835 18 D CB -0.246 40.184 40.800 -0.617 0.000 0.966 18 D HN 0.265 nan 8.370 nan 0.000 0.476 19 F N 0.914 120.846 119.950 -0.029 0.000 2.367 19 F HA -0.042 4.528 4.527 0.073 0.000 0.298 19 F C 2.553 178.081 175.800 -0.454 0.000 1.094 19 F CA 0.407 58.358 58.000 -0.082 0.000 1.409 19 F CB -0.259 38.901 39.000 0.267 0.000 1.064 19 F HN -0.144 nan 8.300 nan 0.000 0.528 20 Q N 0.991 120.634 119.800 -0.262 0.000 2.167 20 Q HA -0.121 4.264 4.340 0.075 0.000 0.202 20 Q C 1.873 177.719 176.000 -0.257 0.000 0.970 20 Q CA 1.554 57.137 55.803 -0.366 0.000 0.855 20 Q CB -0.181 28.300 28.738 -0.429 0.000 0.911 20 Q HN 0.204 nan 8.270 nan 0.000 0.438 21 K N -0.809 119.450 120.400 -0.235 0.000 2.155 21 K HA -0.026 4.339 4.320 0.075 0.000 0.203 21 K C 1.863 178.233 176.600 -0.383 0.000 1.052 21 K CA 1.227 57.419 56.287 -0.159 0.000 0.948 21 K CB 0.152 32.654 32.500 0.003 0.000 0.728 21 K HN 0.125 nan 8.250 nan 0.000 0.448 22 V N 0.473 119.954 119.914 -0.722 0.000 2.453 22 V HA -0.228 3.937 4.120 0.075 0.000 0.247 22 V C 2.061 177.874 176.094 -0.469 0.000 1.048 22 V CA 1.366 63.123 62.300 -0.905 0.000 1.049 22 V CB -0.641 30.648 31.823 -0.889 0.000 0.672 22 V HN 0.233 nan 8.190 nan 0.000 0.457 23 Y N 1.887 121.828 120.300 -0.598 0.000 2.128 23 Y HA -0.258 4.339 4.550 0.079 0.000 0.284 23 Y C 2.346 178.069 175.900 -0.295 0.000 1.154 23 Y CA 2.169 59.945 58.100 -0.540 0.000 1.149 23 Y CB -0.634 37.340 38.460 -0.810 0.000 0.976 23 Y HN 0.317 nan 8.280 nan 0.000 0.505 24 N N -0.163 118.547 118.700 0.018 0.000 2.149 24 N HA -0.215 4.570 4.740 0.075 0.000 0.188 24 N C 1.943 177.432 175.510 -0.034 0.000 1.019 24 N CA 0.820 53.895 53.050 0.040 0.000 0.857 24 N CB -0.300 38.220 38.487 0.055 0.000 0.997 24 N HN 0.493 nan 8.380 nan 0.000 0.426 25 A N 1.252 124.046 122.820 -0.043 0.000 1.898 25 A HA -0.066 4.299 4.320 0.075 0.000 0.216 25 A C 2.104 179.630 177.584 -0.098 0.000 1.181 25 A CA 0.911 52.941 52.037 -0.011 0.000 0.620 25 A CB -0.486 18.609 19.000 0.157 0.000 0.819 25 A HN 0.166 nan 8.150 nan 0.000 0.442 26 I N -0.250 120.232 120.570 -0.147 0.000 2.252 26 I HA -0.236 3.979 4.170 0.075 0.000 0.245 26 I C 2.939 179.026 176.117 -0.050 0.000 1.102 26 I CA 1.005 62.254 61.300 -0.085 0.000 1.385 26 I CB -0.332 37.584 38.000 -0.141 0.000 1.064 26 I HN 0.339 nan 8.210 nan 0.000 0.414 27 A N 0.642 123.335 122.820 -0.211 0.000 1.933 27 A HA -0.195 4.170 4.320 0.075 0.000 0.218 27 A C 2.260 179.825 177.584 -0.033 0.000 1.175 27 A CA 1.467 53.398 52.037 -0.178 0.000 0.628 27 A CB -0.693 18.145 19.000 -0.269 0.000 0.814 27 A HN 0.386 nan 8.150 nan 0.000 0.444 28 L N -0.437 120.770 121.223 -0.026 0.000 2.072 28 L HA -0.023 4.362 4.340 0.075 0.000 0.205 28 L C 2.255 179.131 176.870 0.011 0.000 1.079 28 L CA 2.246 57.086 54.840 0.000 0.000 0.752 28 L CB -0.345 41.712 42.059 -0.005 0.000 0.906 28 L HN 0.366 nan 8.230 nan 0.000 0.436 29 K N -0.769 119.616 120.400 -0.025 0.000 2.211 29 K HA -0.100 4.265 4.320 0.075 0.000 0.203 29 K C 2.043 178.770 176.600 0.211 0.000 1.050 29 K CA 0.990 57.239 56.287 -0.063 0.000 0.945 29 K CB -0.058 32.160 32.500 -0.470 0.000 0.732 29 K HN 0.376 nan 8.250 nan 0.000 0.451 30 L N 0.274 121.680 121.223 0.305 0.000 2.141 30 L HA -0.134 4.251 4.340 0.075 0.000 0.209 30 L C 2.721 179.705 176.870 0.189 0.000 1.094 30 L CA 0.979 55.990 54.840 0.285 0.000 0.763 30 L CB -0.279 41.862 42.059 0.137 0.000 0.908 30 L HN 0.237 nan 8.230 nan 0.000 0.437 31 R N 0.218 120.796 120.500 0.130 0.000 2.075 31 R HA -0.142 4.243 4.340 0.075 0.000 0.226 31 R C 2.024 178.391 176.300 0.112 0.000 1.114 31 R CA 1.188 57.351 56.100 0.105 0.000 0.972 31 R CB 0.125 30.469 30.300 0.073 0.000 0.869 31 R HN 0.257 nan 8.270 nan 0.000 0.437 32 E N 0.505 120.765 120.200 0.099 0.000 2.028 32 E HA -0.118 4.277 4.350 0.075 0.000 0.191 32 E C 0.058 176.728 176.600 0.116 0.000 0.988 32 E CA 1.248 57.698 56.400 0.084 0.000 0.799 32 E CB 0.110 29.832 29.700 0.037 0.000 0.755 32 E HN 0.186 nan 8.360 nan 0.000 0.447 33 D N 0.871 121.375 120.400 0.173 0.000 2.845 33 D HA -0.017 4.667 4.640 0.075 0.000 0.235 33 D C -0.217 176.252 176.300 0.282 0.000 1.158 33 D CA 0.121 54.273 54.000 0.252 0.000 0.990 33 D CB 0.122 41.185 40.800 0.440 0.000 1.094 33 D HN 0.232 nan 8.370 nan 0.000 0.486 34 D N -0.857 119.641 120.400 0.162 0.000 2.340 34 D HA -0.088 4.597 4.640 0.075 0.000 0.220 34 D C 1.024 177.293 176.300 -0.051 0.000 1.039 34 D CA 0.309 54.385 54.000 0.126 0.000 0.866 34 D CB 0.097 40.996 40.800 0.165 0.000 0.913 34 D HN 0.275 nan 8.370 nan 0.000 0.523 35 E N -0.708 119.364 120.200 -0.213 0.000 2.299 35 E HA -0.087 4.307 4.350 0.075 0.000 0.193 35 E C 0.004 176.313 176.600 -0.485 0.000 0.998 35 E CA -0.182 55.789 56.400 -0.715 0.000 0.851 35 E CB -0.097 29.341 29.700 -0.436 0.000 0.795 35 E HN 0.344 nan 8.360 nan 0.000 0.492 36 Y N 2.575 122.662 120.300 -0.355 0.000 2.811 36 Y HA -0.138 4.445 4.550 0.054 0.000 0.334 36 Y C 0.365 176.079 175.900 -0.311 0.000 1.247 36 Y CA 0.294 58.150 58.100 -0.407 0.000 1.526 36 Y CB 0.236 38.175 38.460 -0.868 0.000 1.284 36 Y HN -0.013 nan 8.280 nan 0.000 0.586 37 D N 5.046 124.845 120.400 -1.001 0.000 2.737 37 D HA -0.287 4.397 4.640 0.075 0.000 0.238 37 D C -0.528 175.597 176.300 -0.292 0.000 1.157 37 D CA 1.365 54.915 54.000 -0.750 0.000 0.694 37 D CB -1.394 38.806 40.800 -1.000 0.000 1.021 37 D HN 0.817 nan 8.370 nan 0.000 0.420 38 N N 0.697 119.289 118.700 -0.179 0.000 2.725 38 N HA -0.298 4.486 4.740 0.075 0.000 0.251 38 N C 0.115 175.735 175.510 0.184 0.000 1.031 38 N CA 1.340 54.410 53.050 0.034 0.000 0.720 38 N CB -1.697 36.818 38.487 0.046 0.000 0.930 38 N HN 0.703 nan 8.380 nan 0.000 0.543 39 Y N -3.299 116.970 120.300 -0.051 0.000 4.668 39 Y HA -0.309 4.282 4.550 0.069 0.000 0.234 39 Y C 1.662 177.562 175.900 -0.000 0.000 1.056 39 Y CA 0.904 59.000 58.100 -0.008 0.000 2.025 39 Y CB -2.058 36.409 38.460 0.011 0.000 1.613 39 Y HN 0.439 nan 8.280 nan 0.000 0.653 40 I N -0.251 120.352 120.570 0.055 0.000 2.406 40 I HA 0.055 4.270 4.170 0.075 0.000 0.249 40 I C 1.714 177.874 176.117 0.071 0.000 1.122 40 I CA 1.276 62.609 61.300 0.055 0.000 1.431 40 I CB -0.370 37.640 38.000 0.016 0.000 1.087 40 I HN 0.526 nan 8.210 nan 0.000 0.424 41 G N -0.327 108.502 108.800 0.048 0.000 2.712 41 G HA2 -0.281 3.723 3.960 0.075 0.000 0.683 41 G HA3 -0.281 3.723 3.960 0.075 0.000 0.683 41 G C -0.234 174.765 174.900 0.165 0.000 1.320 41 G CA -0.371 44.798 45.100 0.115 0.000 0.847 41 G HN 0.146 nan 8.290 nan 0.000 0.553 42 Y N 1.549 121.898 120.300 0.081 0.000 2.529 42 Y HA 0.196 4.784 4.550 0.062 0.000 0.290 42 Y C 2.775 178.534 175.900 -0.236 0.000 1.177 42 Y CA 1.433 59.422 58.100 -0.185 0.000 1.305 42 Y CB -0.005 38.022 38.460 -0.723 0.000 1.047 42 Y HN 0.799 nan 8.280 nan 0.000 0.522 43 G N 1.497 110.309 108.800 0.019 0.000 2.491 43 G HA2 -0.252 3.753 3.960 0.075 0.000 0.218 43 G HA3 -0.252 3.753 3.960 0.075 0.000 0.218 43 G C -0.605 174.311 174.900 0.027 0.000 1.180 43 G CA 0.938 46.033 45.100 -0.008 0.000 0.774 43 G HN 0.282 nan 8.290 nan 0.000 0.562 44 P HA -0.037 nan 4.420 nan 0.000 0.216 44 P C 2.114 179.486 177.300 0.121 0.000 1.153 44 P CA 0.637 63.800 63.100 0.106 0.000 0.848 44 P CB -0.106 31.676 31.700 0.136 0.000 0.787 45 V N -0.621 119.368 119.914 0.126 0.000 2.594 45 V HA -0.185 3.980 4.120 0.075 0.000 0.253 45 V C 2.007 178.123 176.094 0.036 0.000 1.069 45 V CA 1.543 63.905 62.300 0.104 0.000 1.082 45 V CB -1.000 30.910 31.823 0.146 0.000 0.680 45 V HN 0.023 nan 8.190 nan 0.000 0.469 46 L N -1.000 120.219 121.223 -0.006 0.000 2.109 46 L HA -0.075 4.309 4.340 0.075 0.000 0.207 46 L C 2.406 179.330 176.870 0.091 0.000 1.086 46 L CA 1.154 55.979 54.840 -0.024 0.000 0.760 46 L CB -0.467 41.516 42.059 -0.126 0.000 0.910 46 L HN 0.228 nan 8.230 nan 0.000 0.437 47 V N -0.332 119.662 119.914 0.135 0.000 2.548 47 V HA -0.200 3.964 4.120 0.075 0.000 0.249 47 V C 2.576 178.879 176.094 0.348 0.000 1.055 47 V CA 1.356 63.815 62.300 0.264 0.000 1.065 47 V CB -0.630 31.287 31.823 0.157 0.000 0.681 47 V HN 0.430 nan 8.190 nan 0.000 0.462 48 R N -0.106 120.550 120.500 0.261 0.000 2.092 48 R HA -0.148 4.237 4.340 0.075 0.000 0.231 48 R C 2.282 178.698 176.300 0.194 0.000 1.119 48 R CA 1.476 57.778 56.100 0.336 0.000 0.970 48 R CB -0.281 30.129 30.300 0.184 0.000 0.864 48 R HN 0.428 nan 8.270 nan 0.000 0.440 49 L N 0.825 122.064 121.223 0.027 0.000 2.017 49 L HA -0.056 4.328 4.340 0.075 0.000 0.208 49 L C 2.256 179.099 176.870 -0.045 0.000 1.073 49 L CA 2.175 56.921 54.840 -0.156 0.000 0.745 49 L CB -0.803 41.123 42.059 -0.221 0.000 0.894 49 L HN 0.225 nan 8.230 nan 0.000 0.432 50 A N -0.485 122.421 122.820 0.144 0.000 1.933 50 A HA -0.267 4.098 4.320 0.075 0.000 0.218 50 A C 2.262 180.001 177.584 0.259 0.000 1.175 50 A CA 1.751 53.912 52.037 0.206 0.000 0.628 50 A CB -1.330 17.849 19.000 0.298 0.000 0.814 50 A HN 0.822 nan 8.150 nan 0.000 0.444 51 W N -0.100 121.341 121.300 0.236 0.000 2.407 51 W HA -0.156 4.546 4.660 0.069 0.000 0.305 51 W C 1.846 178.504 176.519 0.231 0.000 1.196 51 W CA 1.626 59.133 57.345 0.270 0.000 1.311 51 W CB -0.747 28.937 29.460 0.373 0.000 1.135 51 W HN 0.546 nan 8.180 nan 0.000 0.514 52 H N 1.302 120.081 119.070 -0.485 0.000 2.387 52 H HA -0.173 4.428 4.556 0.074 0.000 0.299 52 H C 2.243 177.352 175.328 -0.366 0.000 1.090 52 H CA 2.193 57.852 56.048 -0.648 0.000 1.332 52 H CB -0.005 29.488 29.762 -0.449 0.000 1.386 52 H HN 0.338 nan 8.280 nan 0.000 0.516 53 I N -1.479 119.020 120.570 -0.119 0.000 2.676 53 I HA -0.060 4.155 4.170 0.075 0.000 0.259 53 I C 2.076 178.207 176.117 0.023 0.000 1.194 53 I CA 0.993 62.272 61.300 -0.035 0.000 1.473 53 I CB 0.009 38.014 38.000 0.007 0.000 1.096 53 I HN -0.095 nan 8.210 nan 0.000 0.443 54 S N 1.319 117.025 115.700 0.010 0.000 2.421 54 S HA 0.157 4.672 4.470 0.075 0.000 0.224 54 S C 2.020 176.659 174.600 0.065 0.000 1.035 54 S CA 0.758 58.987 58.200 0.049 0.000 0.953 54 S CB -0.524 62.724 63.200 0.080 0.000 0.810 54 S HN 0.666 nan 8.310 nan 0.000 0.497 55 G N 1.917 110.668 108.800 -0.083 0.000 2.625 55 G HA2 -0.142 3.862 3.960 0.075 0.000 0.214 55 G HA3 -0.142 3.862 3.960 0.075 0.000 0.214 55 G C 1.368 176.238 174.900 -0.050 0.000 1.132 55 G CA 1.388 46.388 45.100 -0.166 0.000 0.782 55 G HN 0.615 nan 8.290 nan 0.000 0.538 56 T N -3.592 110.956 114.554 -0.010 0.000 3.118 56 T HA -0.032 4.362 4.350 0.075 0.000 0.260 56 T C 0.881 175.670 174.700 0.149 0.000 1.139 56 T CA -0.491 61.642 62.100 0.055 0.000 1.085 56 T CB -0.115 68.793 68.868 0.066 0.000 0.934 56 T HN 0.217 nan 8.240 nan 0.000 0.518 57 W N 2.859 124.145 121.300 -0.023 0.000 2.193 57 W HA 0.401 5.106 4.660 0.075 0.000 0.338 57 W C -0.517 175.965 176.519 -0.060 0.000 1.310 57 W CA -0.496 56.836 57.345 -0.020 0.000 1.243 57 W CB 0.369 29.822 29.460 -0.011 0.000 1.165 57 W HN 0.020 nan 8.180 nan 0.000 0.566 58 D N 5.197 125.253 120.400 -0.573 0.000 2.505 58 D HA 0.063 4.748 4.640 0.075 0.000 0.250 58 D C 0.925 176.455 176.300 -1.284 0.000 1.164 58 D CA -0.361 53.227 54.000 -0.688 0.000 0.870 58 D CB 1.330 41.958 40.800 -0.286 0.000 1.160 58 D HN 0.611 nan 8.370 nan 0.000 0.549 59 K N 2.546 121.967 120.400 -1.632 0.000 2.280 59 K HA -0.165 4.200 4.320 0.075 0.000 0.202 59 K C 0.701 176.808 176.600 -0.822 0.000 1.047 59 K CA 1.230 56.566 56.287 -1.585 0.000 0.942 59 K CB -0.183 31.587 32.500 -1.217 0.000 0.739 59 K HN 0.429 nan 8.250 nan 0.000 0.457 60 H N 1.214 120.029 119.070 -0.425 0.000 2.428 60 H HA -0.049 4.552 4.556 0.075 0.000 0.296 60 H C 0.826 176.042 175.328 -0.187 0.000 1.062 60 H CA 1.403 57.306 56.048 -0.242 0.000 1.350 60 H CB 0.107 29.754 29.762 -0.192 0.000 1.403 60 H HN 0.636 nan 8.280 nan 0.000 0.533 61 D N -1.972 118.357 120.400 -0.119 0.000 2.525 61 D HA 0.004 4.689 4.640 0.075 0.000 0.231 61 D C 0.083 176.337 176.300 -0.076 0.000 1.216 61 D CA -0.263 53.692 54.000 -0.075 0.000 0.813 61 D CB -0.423 40.354 40.800 -0.038 0.000 1.108 61 D HN 0.065 nan 8.370 nan 0.000 0.524 62 N N 0.680 119.298 118.700 -0.137 0.000 2.725 62 N HA -0.167 4.618 4.740 0.075 0.000 0.249 62 N C -0.842 174.788 175.510 0.200 0.000 1.103 62 N CA 1.294 54.381 53.050 0.062 0.000 0.707 62 N CB -1.731 36.824 38.487 0.113 0.000 1.043 62 N HN 0.606 nan 8.380 nan 0.000 0.553 63 T N -2.627 111.972 114.554 0.076 0.000 2.922 63 T HA 0.708 5.102 4.350 0.075 0.000 0.285 63 T C 1.149 175.982 174.700 0.221 0.000 1.005 63 T CA 0.218 62.415 62.100 0.162 0.000 1.061 63 T CB 1.801 70.716 68.868 0.078 0.000 1.007 63 T HN 1.043 nan 8.240 nan 0.000 0.502 64 G N 0.383 109.327 108.800 0.240 0.000 2.642 64 G HA2 0.368 4.373 3.960 0.075 0.000 0.231 64 G HA3 0.368 4.373 3.960 0.075 0.000 0.231 64 G C 0.287 175.379 174.900 0.319 0.000 1.338 64 G CA -0.011 45.236 45.100 0.245 0.000 0.883 64 G HN 2.740 nan 8.290 nan 0.000 0.570 65 G N -2.759 106.201 108.800 0.267 0.000 2.710 65 G HA2 0.326 4.331 3.960 0.075 0.000 0.668 65 G HA3 0.326 4.331 3.960 0.075 0.000 0.668 65 G C 1.226 176.183 174.900 0.095 0.000 1.320 65 G CA 1.163 46.349 45.100 0.143 0.000 0.860 65 G HN 2.492 nan 8.290 nan 0.000 0.538 66 S N -1.212 114.512 115.700 0.039 0.000 2.453 66 S HA -0.087 4.427 4.470 0.075 0.000 0.231 66 S C 1.898 176.544 174.600 0.078 0.000 1.005 66 S CA 1.847 60.094 58.200 0.080 0.000 0.949 66 S CB -0.338 62.892 63.200 0.051 0.000 0.774 66 S HN 1.324 nan 8.310 nan 0.000 0.510 67 Y N 2.932 123.167 120.300 -0.109 0.000 2.014 67 Y HA -0.146 4.448 4.550 0.074 0.000 0.272 67 Y C 2.563 178.406 175.900 -0.096 0.000 1.164 67 Y CA 1.837 59.839 58.100 -0.164 0.000 1.114 67 Y CB -1.098 37.152 38.460 -0.349 0.000 0.961 67 Y HN 0.336 nan 8.280 nan 0.000 0.489 68 G N -1.531 107.296 108.800 0.046 0.000 2.471 68 G HA2 0.040 4.044 3.960 0.075 0.000 0.219 68 G HA3 0.040 4.044 3.960 0.075 0.000 0.219 68 G C 1.354 176.303 174.900 0.082 0.000 1.125 68 G CA 0.602 45.736 45.100 0.056 0.000 0.775 68 G HN 1.068 nan 8.290 nan 0.000 0.548 69 G N 0.034 108.912 108.800 0.130 0.000 2.249 69 G HA2 -0.304 3.701 3.960 0.075 0.000 0.273 69 G HA3 -0.304 3.701 3.960 0.075 0.000 0.273 69 G C 1.153 176.242 174.900 0.314 0.000 1.036 69 G CA 1.462 46.700 45.100 0.231 0.000 0.824 69 G HN 1.232 nan 8.290 nan 0.000 0.504 70 T N -3.227 111.522 114.554 0.325 0.000 3.155 70 T HA -0.095 4.300 4.350 0.075 0.000 0.264 70 T C 1.727 176.646 174.700 0.366 0.000 1.160 70 T CA 1.429 63.766 62.100 0.396 0.000 1.075 70 T CB -0.146 68.960 68.868 0.396 0.000 0.921 70 T HN 0.739 nan 8.240 nan 0.000 0.533 71 Y N 3.274 123.716 120.300 0.237 0.000 2.421 71 Y HA -0.025 4.575 4.550 0.084 0.000 0.292 71 Y C 2.375 178.335 175.900 0.099 0.000 1.136 71 Y CA 0.783 58.963 58.100 0.133 0.000 1.255 71 Y CB -0.286 38.124 38.460 -0.083 0.000 0.991 71 Y HN 0.332 nan 8.280 nan 0.000 0.552 72 R N -1.254 119.214 120.500 -0.054 0.000 2.237 72 R HA -0.056 4.329 4.340 0.075 0.000 0.219 72 R C -0.291 175.706 176.300 -0.505 0.000 1.080 72 R CA 0.411 56.293 56.100 -0.364 0.000 0.995 72 R CB -0.796 29.414 30.300 -0.151 0.000 0.875 72 R HN 0.142 nan 8.270 nan 0.000 0.462 73 F N 2.022 121.908 119.950 -0.107 0.000 2.375 73 F HA 0.275 4.847 4.527 0.076 0.000 0.333 73 F C 1.687 177.427 175.800 -0.101 0.000 1.104 73 F CA -1.320 56.627 58.000 -0.088 0.000 1.149 73 F CB 1.138 40.138 39.000 -0.000 0.000 1.190 73 F HN -0.238 nan 8.300 nan 0.000 0.533 74 K N 1.709 122.184 120.400 0.125 0.000 2.030 74 K HA -0.337 4.028 4.320 0.075 0.000 0.222 74 K C 2.080 178.746 176.600 0.110 0.000 1.056 74 K CA 2.432 58.760 56.287 0.069 0.000 0.957 74 K CB -0.125 32.407 32.500 0.053 0.000 0.727 74 K HN 0.613 nan 8.250 nan 0.000 0.452 75 K N 0.489 120.953 120.400 0.107 0.000 2.044 75 K HA -0.248 4.117 4.320 0.075 0.000 0.210 75 K C 2.074 178.743 176.600 0.115 0.000 1.049 75 K CA 2.193 58.536 56.287 0.094 0.000 0.927 75 K CB -0.066 32.476 32.500 0.070 0.000 0.713 75 K HN 0.242 nan 8.250 nan 0.000 0.443 76 E N -0.921 119.372 120.200 0.155 0.000 2.230 76 E HA -0.115 4.280 4.350 0.075 0.000 0.192 76 E C 1.705 178.408 176.600 0.172 0.000 0.987 76 E CA 0.398 56.903 56.400 0.175 0.000 0.841 76 E CB -0.056 29.791 29.700 0.245 0.000 0.783 76 E HN 0.305 nan 8.360 nan 0.000 0.481 77 F N 1.462 121.355 119.950 -0.094 0.000 2.146 77 F HA -0.081 4.493 4.527 0.078 0.000 0.298 77 F C 1.287 177.041 175.800 -0.077 0.000 1.096 77 F CA 1.132 58.976 58.000 -0.260 0.000 1.275 77 F CB 0.237 38.900 39.000 -0.561 0.000 1.008 77 F HN 0.001 nan 8.300 nan 0.000 0.480 78 N N 0.827 119.594 118.700 0.111 0.000 2.327 78 N HA -0.011 4.773 4.740 0.075 0.000 0.231 78 N C -0.781 174.757 175.510 0.046 0.000 1.130 78 N CA 0.112 53.201 53.050 0.065 0.000 0.845 78 N CB -0.575 37.971 38.487 0.099 0.000 1.073 78 N HN 0.251 nan 8.380 nan 0.000 0.496 79 D N 1.027 121.455 120.400 0.047 0.000 2.343 79 D HA 0.131 4.816 4.640 0.075 0.000 0.255 79 D C -1.710 174.617 176.300 0.046 0.000 1.187 79 D CA -1.862 52.171 54.000 0.056 0.000 0.875 79 D CB 1.564 42.409 40.800 0.075 0.000 1.136 79 D HN -0.003 nan 8.370 nan 0.000 0.469 80 P HA -0.064 nan 4.420 nan 0.000 0.230 80 P C 0.881 178.221 177.300 0.067 0.000 1.158 80 P CA 0.694 63.822 63.100 0.046 0.000 0.769 80 P CB 0.097 31.822 31.700 0.042 0.000 0.807 81 S N -2.014 113.733 115.700 0.079 0.000 2.727 81 S HA 0.027 4.542 4.470 0.075 0.000 0.226 81 S C 1.247 175.958 174.600 0.186 0.000 0.963 81 S CA 0.401 58.675 58.200 0.124 0.000 0.950 81 S CB -0.918 62.342 63.200 0.100 0.000 0.779 81 S HN 0.012 nan 8.310 nan 0.000 0.532 82 N N 1.325 120.094 118.700 0.115 0.000 2.200 82 N HA 0.382 5.167 4.740 0.075 0.000 0.224 82 N C -0.147 175.323 175.510 -0.067 0.000 1.179 82 N CA 0.147 53.213 53.050 0.027 0.000 0.877 82 N CB 0.993 39.503 38.487 0.039 0.000 1.072 82 N HN 0.517 nan 8.380 nan 0.000 0.519 83 A N -0.170 122.639 122.820 -0.017 0.000 2.522 83 A HA 0.497 4.862 4.320 0.075 0.000 0.256 83 A C 1.414 178.977 177.584 -0.035 0.000 1.086 83 A CA 0.917 52.937 52.037 -0.028 0.000 0.763 83 A CB -0.263 18.744 19.000 0.013 0.000 1.024 83 A HN 0.416 nan 8.150 nan 0.000 0.502 84 G N 1.269 110.036 108.800 -0.055 0.000 2.339 84 G HA2 -0.231 3.774 3.960 0.075 0.000 0.209 84 G HA3 -0.231 3.774 3.960 0.075 0.000 0.209 84 G C 0.880 175.757 174.900 -0.037 0.000 1.015 84 G CA 0.197 45.270 45.100 -0.045 0.000 0.635 84 G HN 0.702 nan 8.290 nan 0.000 0.499 85 L N 2.242 123.403 121.223 -0.103 0.000 2.362 85 L HA -0.044 4.341 4.340 0.075 0.000 0.219 85 L C 3.109 179.971 176.870 -0.014 0.000 1.134 85 L CA 1.660 56.430 54.840 -0.117 0.000 0.807 85 L CB -0.332 41.569 42.059 -0.263 0.000 0.927 85 L HN 0.590 nan 8.230 nan 0.000 0.447 86 Q N -0.021 119.734 119.800 -0.074 0.000 2.291 86 Q HA -0.200 4.185 4.340 0.075 0.000 0.206 86 Q C 1.196 177.358 176.000 0.271 0.000 0.976 86 Q CA 1.380 57.224 55.803 0.067 0.000 0.875 86 Q CB -0.519 28.233 28.738 0.024 0.000 0.927 86 Q HN 0.516 nan 8.270 nan 0.000 0.450 87 N N 1.036 119.840 118.700 0.173 0.000 2.270 87 N HA -0.044 4.741 4.740 0.075 0.000 0.181 87 N C 1.854 177.469 175.510 0.176 0.000 1.016 87 N CA 1.350 54.506 53.050 0.176 0.000 0.870 87 N CB -0.353 38.202 38.487 0.113 0.000 0.979 87 N HN 0.522 nan 8.380 nan 0.000 0.431 88 G N -0.084 108.805 108.800 0.148 0.000 2.403 88 G HA2 -0.195 3.810 3.960 0.075 0.000 0.216 88 G HA3 -0.195 3.810 3.960 0.075 0.000 0.216 88 G C 1.381 176.420 174.900 0.231 0.000 1.154 88 G CA -0.020 45.141 45.100 0.102 0.000 0.784 88 G HN 0.279 nan 8.290 nan 0.000 0.538 89 F N 1.436 121.515 119.950 0.215 0.000 2.146 89 F HA 0.075 4.644 4.527 0.070 0.000 0.298 89 F C 2.679 178.627 175.800 0.247 0.000 1.096 89 F CA 1.502 59.712 58.000 0.349 0.000 1.275 89 F CB 0.111 39.468 39.000 0.596 0.000 1.008 89 F HN 0.017 nan 8.300 nan 0.000 0.480 90 K N -0.606 119.949 120.400 0.258 0.000 2.209 90 K HA -0.186 4.178 4.320 0.075 0.000 0.204 90 K C 1.909 178.473 176.600 -0.060 0.000 1.048 90 K CA 1.573 57.906 56.287 0.077 0.000 0.940 90 K CB -0.470 32.124 32.500 0.157 0.000 0.729 90 K HN 0.354 nan 8.250 nan 0.000 0.451 91 F N 1.372 121.165 119.950 -0.262 0.000 2.128 91 F HA -0.067 4.526 4.527 0.109 0.000 0.295 91 F C 1.621 177.236 175.800 -0.307 0.000 1.100 91 F CA 1.174 58.897 58.000 -0.462 0.000 1.260 91 F CB -0.002 38.566 39.000 -0.721 0.000 1.009 91 F HN -0.154 nan 8.300 nan 0.000 0.476 92 L N 0.492 121.742 121.223 0.046 0.000 2.291 92 L HA -0.109 4.276 4.340 0.075 0.000 0.214 92 L C 2.230 178.985 176.870 -0.191 0.000 1.120 92 L CA 1.022 55.841 54.840 -0.035 0.000 0.799 92 L CB -0.769 41.369 42.059 0.132 0.000 0.925 92 L HN 0.281 nan 8.230 nan 0.000 0.446 93 E N 0.443 120.462 120.200 -0.303 0.000 2.153 93 E HA -0.187 4.207 4.350 0.075 0.000 0.194 93 E C -0.827 175.658 176.600 -0.192 0.000 0.988 93 E CA 0.676 56.897 56.400 -0.299 0.000 0.811 93 E CB -1.143 28.328 29.700 -0.382 0.000 0.746 93 E HN 0.452 nan 8.360 nan 0.000 0.466 94 P HA -0.010 nan 4.420 nan 0.000 0.225 94 P C 1.264 178.455 177.300 -0.182 0.000 1.156 94 P CA 0.761 63.741 63.100 -0.200 0.000 0.787 94 P CB 0.087 31.647 31.700 -0.234 0.000 0.802 95 I N -1.612 118.851 120.570 -0.178 0.000 2.439 95 I HA -0.198 4.017 4.170 0.075 0.000 0.251 95 I C 2.229 178.355 176.117 0.016 0.000 1.139 95 I CA 1.416 62.667 61.300 -0.082 0.000 1.438 95 I CB -0.872 37.053 38.000 -0.124 0.000 1.085 95 I HN 0.165 nan 8.210 nan 0.000 0.427 96 H N 1.120 120.090 119.070 -0.167 0.000 2.470 96 H HA -0.043 4.560 4.556 0.078 0.000 0.289 96 H C 1.958 177.173 175.328 -0.188 0.000 1.033 96 H CA 0.690 56.625 56.048 -0.188 0.000 1.331 96 H CB 0.464 30.101 29.762 -0.208 0.000 1.414 96 H HN 0.161 nan 8.280 nan 0.000 0.545 97 K N 0.134 120.471 120.400 -0.104 0.000 2.365 97 K HA -0.085 4.280 4.320 0.075 0.000 0.197 97 K C 1.798 178.273 176.600 -0.208 0.000 1.042 97 K CA 0.646 56.832 56.287 -0.169 0.000 0.987 97 K CB 0.348 32.755 32.500 -0.156 0.000 0.779 97 K HN 0.310 nan 8.250 nan 0.000 0.484 98 E N -0.476 119.565 120.200 -0.264 0.000 2.190 98 E HA -0.016 4.379 4.350 0.075 0.000 0.191 98 E C -0.499 175.650 176.600 -0.752 0.000 0.978 98 E CA 0.575 56.675 56.400 -0.499 0.000 0.839 98 E CB 0.385 29.699 29.700 -0.643 0.000 0.787 98 E HN 0.053 nan 8.360 nan 0.000 0.473 99 F N 0.656 120.465 119.950 -0.235 0.000 2.622 99 F HA 0.305 4.877 4.527 0.075 0.000 0.338 99 F C -1.950 173.517 175.800 -0.556 0.000 1.334 99 F CA -2.034 55.666 58.000 -0.498 0.000 1.179 99 F CB 1.715 40.235 39.000 -0.800 0.000 1.471 99 F HN -0.026 nan 8.300 nan 0.000 0.576 100 P HA -0.153 nan 4.420 nan 0.000 0.228 100 P C 1.392 178.662 177.300 -0.050 0.000 1.151 100 P CA 1.262 64.266 63.100 -0.160 0.000 0.770 100 P CB -0.032 31.606 31.700 -0.103 0.000 0.786 101 W N 0.017 121.363 121.300 0.077 0.000 2.518 101 W HA 0.139 4.846 4.660 0.077 0.000 0.273 101 W C 0.843 177.432 176.519 0.116 0.000 1.247 101 W CA -0.491 56.898 57.345 0.072 0.000 1.288 101 W CB -1.487 28.001 29.460 0.047 0.000 1.107 101 W HN -0.167 nan 8.180 nan 0.000 0.586 102 I N 4.002 124.428 120.570 -0.239 0.000 2.648 102 I HA -0.002 4.213 4.170 0.075 0.000 0.284 102 I C 1.116 177.262 176.117 0.049 0.000 1.153 102 I CA 0.094 61.317 61.300 -0.128 0.000 1.426 102 I CB 0.917 38.581 38.000 -0.560 0.000 1.381 102 I HN -0.042 nan 8.210 nan 0.000 0.571 103 S N 4.268 120.014 115.700 0.077 0.000 2.593 103 S HA 0.151 4.666 4.470 0.075 0.000 0.269 103 S C 1.084 175.554 174.600 -0.217 0.000 1.334 103 S CA -0.276 57.919 58.200 -0.008 0.000 1.015 103 S CB 1.462 64.645 63.200 -0.028 0.000 0.912 103 S HN 0.740 nan 8.310 nan 0.000 0.541 104 S N 1.922 117.451 115.700 -0.284 0.000 2.368 104 S HA -0.021 4.493 4.470 0.075 0.000 0.225 104 S C 2.114 176.196 174.600 -0.864 0.000 1.030 104 S CA 1.330 59.106 58.200 -0.707 0.000 0.999 104 S CB -1.114 61.846 63.200 -0.400 0.000 0.844 104 S HN 0.951 nan 8.310 nan 0.000 0.459 105 G N 1.339 109.948 108.800 -0.319 0.000 2.402 105 G HA2 -0.199 3.805 3.960 0.075 0.000 0.216 105 G HA3 -0.199 3.805 3.960 0.075 0.000 0.216 105 G C 1.056 175.951 174.900 -0.008 0.000 1.162 105 G CA 0.913 45.960 45.100 -0.088 0.000 0.777 105 G HN 0.369 nan 8.290 nan 0.000 0.539 106 D N -0.125 120.277 120.400 0.003 0.000 2.117 106 D HA -0.071 4.614 4.640 0.075 0.000 0.198 106 D C 2.362 178.786 176.300 0.207 0.000 0.982 106 D CA 0.421 54.591 54.000 0.283 0.000 0.828 106 D CB -0.216 40.795 40.800 0.353 0.000 0.967 106 D HN 0.226 nan 8.370 nan 0.000 0.464 107 L N -0.155 120.985 121.223 -0.139 0.000 2.056 107 L HA -0.098 4.287 4.340 0.075 0.000 0.207 107 L C 1.864 178.700 176.870 -0.056 0.000 1.078 107 L CA 1.451 56.143 54.840 -0.247 0.000 0.749 107 L CB -0.565 41.167 42.059 -0.545 0.000 0.901 107 L HN -0.105 nan 8.230 nan 0.000 0.433 108 F N -0.052 119.905 119.950 0.011 0.000 2.134 108 F HA -0.156 4.415 4.527 0.073 0.000 0.299 108 F C 2.901 178.734 175.800 0.055 0.000 1.097 108 F CA 1.147 59.171 58.000 0.040 0.000 1.264 108 F CB -1.777 37.263 39.000 0.066 0.000 1.001 108 F HN 0.342 nan 8.300 nan 0.000 0.479 109 S N 0.100 115.975 115.700 0.291 0.000 2.387 109 S HA -0.114 4.401 4.470 0.075 0.000 0.226 109 S C 1.965 176.670 174.600 0.176 0.000 1.026 109 S CA 0.793 59.157 58.200 0.274 0.000 0.972 109 S CB -1.001 62.428 63.200 0.381 0.000 0.814 109 S HN 0.302 nan 8.310 nan 0.000 0.477 110 L N 2.669 123.884 121.223 -0.012 0.000 2.141 110 L HA 0.254 4.639 4.340 0.075 0.000 0.209 110 L C 2.321 179.041 176.870 -0.250 0.000 1.094 110 L CA 1.693 56.230 54.840 -0.505 0.000 0.763 110 L CB -1.206 40.248 42.059 -1.008 0.000 0.908 110 L HN 0.363 nan 8.230 nan 0.000 0.437 111 G N -0.873 107.877 108.800 -0.083 0.000 2.422 111 G HA2 -0.203 3.802 3.960 0.075 0.000 0.218 111 G HA3 -0.203 3.802 3.960 0.075 0.000 0.218 111 G C 1.475 176.382 174.900 0.012 0.000 1.146 111 G CA 0.555 45.635 45.100 -0.035 0.000 0.769 111 G HN 0.573 nan 8.290 nan 0.000 0.547 112 G N 0.279 109.155 108.800 0.127 0.000 2.394 112 G HA2 -0.087 3.917 3.960 0.075 0.000 0.215 112 G HA3 -0.087 3.917 3.960 0.075 0.000 0.215 112 G C 1.761 176.863 174.900 0.337 0.000 1.165 112 G CA 1.068 46.347 45.100 0.299 0.000 0.784 112 G HN 0.296 nan 8.290 nan 0.000 0.535 113 V N 1.201 121.284 119.914 0.282 0.000 2.343 113 V HA -0.184 3.981 4.120 0.075 0.000 0.247 113 V C 3.176 179.355 176.094 0.142 0.000 1.051 113 V CA 2.361 64.824 62.300 0.272 0.000 1.036 113 V CB -0.860 31.085 31.823 0.203 0.000 0.654 113 V HN 0.391 nan 8.190 nan 0.000 0.451 114 T N 0.418 114.954 114.554 -0.031 0.000 2.708 114 T HA -0.156 4.239 4.350 0.075 0.000 0.266 114 T C 2.090 176.674 174.700 -0.192 0.000 1.037 114 T CA 1.607 63.529 62.100 -0.297 0.000 1.146 114 T CB -0.470 68.026 68.868 -0.620 0.000 0.865 114 T HN 0.568 nan 8.240 nan 0.000 0.435 115 A N 1.072 123.827 122.820 -0.109 0.000 1.883 115 A HA -0.072 4.293 4.320 0.075 0.000 0.217 115 A C 2.612 180.153 177.584 -0.071 0.000 1.186 115 A CA 1.533 53.525 52.037 -0.076 0.000 0.624 115 A CB -1.114 17.861 19.000 -0.041 0.000 0.822 115 A HN 0.347 nan 8.150 nan 0.000 0.444 116 V N -0.005 119.847 119.914 -0.102 0.000 2.295 116 V HA -0.320 3.845 4.120 0.075 0.000 0.246 116 V C 2.671 178.599 176.094 -0.276 0.000 1.049 116 V CA 2.273 64.394 62.300 -0.297 0.000 1.024 116 V CB -0.941 30.593 31.823 -0.482 0.000 0.648 116 V HN 0.637 nan 8.190 nan 0.000 0.447 117 Q N -0.636 119.096 119.800 -0.114 0.000 2.084 117 Q HA -0.197 4.188 4.340 0.075 0.000 0.202 117 Q C 2.270 178.281 176.000 0.018 0.000 0.978 117 Q CA 1.280 57.072 55.803 -0.019 0.000 0.844 117 Q CB -0.175 28.676 28.738 0.189 0.000 0.898 117 Q HN 0.587 nan 8.270 nan 0.000 0.426 118 E N 0.169 120.374 120.200 0.009 0.000 2.274 118 E HA -0.052 4.343 4.350 0.075 0.000 0.194 118 E C 1.164 177.779 176.600 0.025 0.000 0.996 118 E CA 0.759 57.170 56.400 0.018 0.000 0.840 118 E CB 0.076 29.757 29.700 -0.032 0.000 0.772 118 E HN 0.432 nan 8.360 nan 0.000 0.491 119 M N 0.218 119.823 119.600 0.007 0.000 2.626 119 M HA 0.069 4.593 4.480 0.075 0.000 0.262 119 M C -0.362 175.980 176.300 0.070 0.000 1.256 119 M CA 0.165 55.495 55.300 0.049 0.000 0.981 119 M CB 0.082 32.724 32.600 0.070 0.000 1.492 119 M HN -0.084 nan 8.290 nan 0.000 0.474 120 Q N -0.938 118.888 119.800 0.043 0.000 2.503 120 Q HA -0.146 4.239 4.340 0.075 0.000 0.267 120 Q C 0.458 176.468 176.000 0.016 0.000 1.030 120 Q CA 0.373 56.217 55.803 0.069 0.000 1.041 120 Q CB -2.089 26.727 28.738 0.130 0.000 1.406 120 Q HN 0.772 nan 8.270 nan 0.000 0.524 121 G N 0.932 109.596 108.800 -0.226 0.000 2.563 121 G HA2 0.551 4.556 3.960 0.075 0.000 0.283 121 G HA3 0.551 4.556 3.960 0.075 0.000 0.283 121 G C -2.169 172.287 174.900 -0.739 0.000 1.309 121 G CA -0.813 43.832 45.100 -0.758 0.000 1.022 121 G HN 0.053 nan 8.290 nan 0.000 0.501 122 P HA 0.196 nan 4.420 nan 0.000 0.274 122 P C -0.702 176.436 177.300 -0.269 0.000 1.246 122 P CA -0.413 62.370 63.100 -0.527 0.000 0.795 122 P CB 0.891 32.278 31.700 -0.522 0.000 1.006 123 K N 1.890 122.230 120.400 -0.101 0.000 2.379 123 K HA 0.300 4.665 4.320 0.075 0.000 0.284 123 K C 0.127 176.721 176.600 -0.010 0.000 1.044 123 K CA -0.108 56.163 56.287 -0.026 0.000 0.974 123 K CB 0.061 32.560 32.500 -0.002 0.000 0.962 123 K HN 0.468 nan 8.250 nan 0.000 0.474 124 I N 5.971 126.574 120.570 0.055 0.000 2.354 124 I HA 0.187 4.402 4.170 0.075 0.000 0.286 124 I C -2.201 173.995 176.117 0.130 0.000 1.007 124 I CA -2.417 58.945 61.300 0.103 0.000 1.167 124 I CB 1.623 39.749 38.000 0.210 0.000 1.320 124 I HN 0.192 nan 8.210 nan 0.000 0.458 125 P HA -0.026 nan 4.420 nan 0.000 0.268 125 P C -1.323 176.036 177.300 0.099 0.000 1.204 125 P CA 0.111 63.219 63.100 0.013 0.000 0.768 125 P CB 0.359 32.014 31.700 -0.076 0.000 0.842 126 W N 4.709 125.936 121.300 -0.122 0.000 2.915 126 W HA 0.481 5.188 4.660 0.078 0.000 0.337 126 W C -0.925 175.449 176.519 -0.242 0.000 1.102 126 W CA -0.641 56.660 57.345 -0.073 0.000 1.224 126 W CB 1.662 31.245 29.460 0.205 0.000 1.416 126 W HN 0.213 nan 8.180 nan 0.000 0.503 127 R N 4.147 124.073 120.500 -0.957 0.000 2.637 127 R HA 0.620 5.005 4.340 0.075 0.000 0.291 127 R C -0.193 175.194 176.300 -1.521 0.000 0.963 127 R CA -0.732 54.682 56.100 -1.144 0.000 0.901 127 R CB 1.298 30.909 30.300 -1.149 0.000 1.160 127 R HN 0.670 nan 8.270 nan 0.000 0.457 128 C N -0.956 117.669 119.300 -1.124 0.000 2.352 128 C HA 0.933 5.437 4.460 0.075 0.000 0.387 128 C C 1.309 176.142 174.990 -0.260 0.000 1.294 128 C CA 0.417 58.912 59.018 -0.871 0.000 2.137 128 C CB 0.664 27.951 27.740 -0.754 0.000 2.146 128 C HN 1.026 nan 8.230 nan 0.000 0.559 129 G N 0.171 108.916 108.800 -0.092 0.000 2.227 129 G HA2 -0.094 3.911 3.960 0.075 0.000 0.168 129 G HA3 -0.094 3.911 3.960 0.075 0.000 0.168 129 G C -0.015 174.847 174.900 -0.063 0.000 1.006 129 G CA -0.376 44.731 45.100 0.012 0.000 0.684 129 G HN 0.933 nan 8.290 nan 0.000 0.489 130 R N 0.302 120.711 120.500 -0.151 0.000 2.537 130 R HA 0.482 4.867 4.340 0.075 0.000 0.280 130 R C -0.166 175.840 176.300 -0.490 0.000 1.058 130 R CA 0.080 55.932 56.100 -0.413 0.000 1.057 130 R CB 1.337 31.485 30.300 -0.254 0.000 0.973 130 R HN 0.097 nan 8.270 nan 0.000 0.438 131 V N 2.779 122.106 119.914 -0.978 0.000 2.555 131 V HA 0.108 4.273 4.120 0.075 0.000 0.302 131 V C -0.370 175.489 176.094 -0.391 0.000 1.038 131 V CA -1.070 60.934 62.300 -0.494 0.000 0.887 131 V CB 1.955 33.630 31.823 -0.247 0.000 0.991 131 V HN 0.654 nan 8.190 nan 0.000 0.434 132 D N 3.217 123.533 120.400 -0.140 0.000 2.450 132 D HA 0.302 4.987 4.640 0.075 0.000 0.247 132 D C 0.550 176.891 176.300 0.069 0.000 1.162 132 D CA 0.418 54.404 54.000 -0.024 0.000 0.879 132 D CB 1.127 41.935 40.800 0.013 0.000 1.163 132 D HN 0.798 nan 8.370 nan 0.000 0.472 133 T N -0.182 114.463 114.554 0.152 0.000 2.918 133 T HA 0.624 5.019 4.350 0.075 0.000 0.286 133 T C -2.351 172.516 174.700 0.279 0.000 1.026 133 T CA -2.022 60.203 62.100 0.209 0.000 1.031 133 T CB 1.806 70.813 68.868 0.232 0.000 1.046 133 T HN -0.060 nan 8.240 nan 0.000 0.479 134 P HA 0.128 nan 4.420 nan 0.000 0.278 134 P C 0.730 177.971 177.300 -0.098 0.000 1.268 134 P CA -0.319 62.849 63.100 0.113 0.000 0.813 134 P CB 0.407 32.138 31.700 0.051 0.000 1.180 135 E N -0.387 119.595 120.200 -0.363 0.000 2.385 135 E HA -0.138 4.256 4.350 0.075 0.000 0.194 135 E C 1.204 177.587 176.600 -0.362 0.000 1.013 135 E CA 0.178 56.118 56.400 -0.768 0.000 0.866 135 E CB -0.185 28.954 29.700 -0.935 0.000 0.832 135 E HN 0.470 nan 8.360 nan 0.000 0.500 136 D N 0.893 121.178 120.400 -0.192 0.000 2.549 136 D HA -0.324 4.361 4.640 0.075 0.000 0.199 136 D C 1.743 178.022 176.300 -0.035 0.000 1.034 136 D CA 2.817 56.770 54.000 -0.079 0.000 0.880 136 D CB -1.383 39.397 40.800 -0.034 0.000 1.044 136 D HN 0.247 nan 8.370 nan 0.000 0.469 137 T N -2.924 111.637 114.554 0.011 0.000 3.139 137 T HA -0.030 4.365 4.350 0.075 0.000 0.267 137 T C 0.752 175.512 174.700 0.099 0.000 1.164 137 T CA 0.662 62.812 62.100 0.083 0.000 1.075 137 T CB -1.224 67.733 68.868 0.148 0.000 0.904 137 T HN 0.179 nan 8.240 nan 0.000 0.540 138 T N 4.755 119.342 114.554 0.056 0.000 2.784 138 T HA 0.260 4.654 4.350 0.075 0.000 0.291 138 T C -2.317 172.436 174.700 0.088 0.000 0.942 138 T CA -0.854 61.304 62.100 0.097 0.000 1.161 138 T CB 0.603 69.510 68.868 0.065 0.000 0.885 138 T HN 0.281 nan 8.240 nan 0.000 0.534 139 P HA 0.094 nan 4.420 nan 0.000 0.269 139 P C 0.078 177.424 177.300 0.077 0.000 1.209 139 P CA -0.278 62.877 63.100 0.092 0.000 0.776 139 P CB 0.507 32.271 31.700 0.106 0.000 0.876 140 D N 1.857 122.293 120.400 0.059 0.000 2.362 140 D HA 0.065 4.750 4.640 0.075 0.000 0.242 140 D C 0.196 176.530 176.300 0.056 0.000 1.132 140 D CA 0.122 54.153 54.000 0.052 0.000 0.907 140 D CB 0.521 41.346 40.800 0.041 0.000 1.195 140 D HN 0.321 nan 8.370 nan 0.000 0.429 141 N N -0.150 118.583 118.700 0.054 0.000 2.441 141 N HA 0.237 5.022 4.740 0.075 0.000 0.251 141 N C 1.158 176.700 175.510 0.053 0.000 1.242 141 N CA 0.533 53.615 53.050 0.054 0.000 0.898 141 N CB 0.823 39.340 38.487 0.051 0.000 1.100 141 N HN 0.700 nan 8.380 nan 0.000 0.443 142 G N 0.496 109.328 108.800 0.053 0.000 2.163 142 G HA2 -0.257 3.748 3.960 0.075 0.000 0.213 142 G HA3 -0.257 3.748 3.960 0.075 0.000 0.213 142 G C 0.886 175.836 174.900 0.083 0.000 0.991 142 G CA -0.118 45.020 45.100 0.063 0.000 0.653 142 G HN 0.565 nan 8.290 nan 0.000 0.518 143 R N -0.674 119.869 120.500 0.072 0.000 2.276 143 R HA 0.351 4.736 4.340 0.075 0.000 0.196 143 R C 1.094 177.485 176.300 0.151 0.000 0.961 143 R CA 0.080 56.247 56.100 0.112 0.000 1.024 143 R CB 0.155 30.499 30.300 0.074 0.000 0.940 143 R HN 0.402 nan 8.270 nan 0.000 0.480 144 L N 2.791 124.011 121.223 -0.005 0.000 2.375 144 L HA 0.281 4.665 4.340 0.075 0.000 0.271 144 L C -1.878 174.853 176.870 -0.231 0.000 1.107 144 L CA -2.182 52.543 54.840 -0.191 0.000 0.806 144 L CB 0.597 42.431 42.059 -0.376 0.000 1.146 144 L HN -0.109 nan 8.230 nan 0.000 0.447 145 P HA 0.066 nan 4.420 nan 0.000 0.271 145 P C -1.345 175.912 177.300 -0.072 0.000 1.218 145 P CA -0.397 62.398 63.100 -0.508 0.000 0.780 145 P CB 0.805 31.901 31.700 -1.007 0.000 0.901 146 D N 1.302 121.718 120.400 0.027 0.000 2.264 146 D HA 0.241 4.926 4.640 0.075 0.000 0.250 146 D C 1.139 177.407 176.300 -0.055 0.000 1.113 146 D CA -0.295 53.676 54.000 -0.049 0.000 0.871 146 D CB 1.543 42.238 40.800 -0.175 0.000 1.167 146 D HN 0.331 nan 8.370 nan 0.000 0.447 147 A N 2.420 125.254 122.820 0.023 0.000 2.067 147 A HA -0.116 4.249 4.320 0.075 0.000 0.217 147 A C 0.902 178.477 177.584 -0.016 0.000 1.156 147 A CA 0.699 52.724 52.037 -0.020 0.000 0.683 147 A CB -0.320 18.569 19.000 -0.184 0.000 0.808 147 A HN 0.618 nan 8.150 nan 0.000 0.455 148 D N -0.437 119.990 120.400 0.046 0.000 3.134 148 D HA 0.276 4.961 4.640 0.075 0.000 0.248 148 D C 0.154 176.441 176.300 -0.023 0.000 1.273 148 D CA -0.216 53.835 54.000 0.084 0.000 0.904 148 D CB 0.268 41.152 40.800 0.140 0.000 1.089 148 D HN -0.011 nan 8.370 nan 0.000 0.478 149 K N 0.602 120.976 120.400 -0.044 0.000 2.399 149 K HA 0.335 4.700 4.320 0.075 0.000 0.260 149 K C -0.555 176.108 176.600 0.106 0.000 1.049 149 K CA -0.732 55.507 56.287 -0.080 0.000 0.890 149 K CB 1.332 33.537 32.500 -0.492 0.000 1.430 149 K HN 0.282 nan 8.250 nan 0.000 0.459 150 D N -1.133 119.368 120.400 0.169 0.000 2.564 150 D HA 0.375 5.060 4.640 0.075 0.000 0.273 150 D C 0.835 177.315 176.300 0.301 0.000 1.192 150 D CA -0.516 53.619 54.000 0.225 0.000 1.080 150 D CB 0.211 41.126 40.800 0.191 0.000 1.160 150 D HN 0.358 nan 8.370 nan 0.000 0.607 151 A N -0.406 122.580 122.820 0.276 0.000 1.933 151 A HA 0.051 4.416 4.320 0.075 0.000 0.218 151 A C 2.072 179.851 177.584 0.325 0.000 1.175 151 A CA 2.091 54.338 52.037 0.350 0.000 0.628 151 A CB -1.577 17.597 19.000 0.290 0.000 0.814 151 A HN 0.663 nan 8.150 nan 0.000 0.444 152 G N -1.752 107.191 108.800 0.238 0.000 2.422 152 G HA2 -0.260 3.744 3.960 0.075 0.000 0.218 152 G HA3 -0.260 3.744 3.960 0.075 0.000 0.218 152 G C 1.543 176.596 174.900 0.255 0.000 1.146 152 G CA 1.243 46.461 45.100 0.196 0.000 0.769 152 G HN 0.621 nan 8.290 nan 0.000 0.547 153 Y N 1.146 121.561 120.300 0.191 0.000 2.163 153 Y HA -0.101 4.492 4.550 0.072 0.000 0.288 153 Y C 2.805 178.882 175.900 0.295 0.000 1.136 153 Y CA 1.621 59.846 58.100 0.209 0.000 1.147 153 Y CB -0.246 38.317 38.460 0.172 0.000 0.987 153 Y HN 0.030 nan 8.280 nan 0.000 0.509 154 V N 1.140 121.325 119.914 0.450 0.000 2.287 154 V HA -0.346 3.819 4.120 0.075 0.000 0.248 154 V C 2.533 178.943 176.094 0.527 0.000 1.053 154 V CA 2.406 65.003 62.300 0.494 0.000 1.027 154 V CB -0.813 31.305 31.823 0.493 0.000 0.646 154 V HN 0.375 nan 8.190 nan 0.000 0.447 155 R N 0.380 121.150 120.500 0.450 0.000 2.073 155 R HA -0.193 4.191 4.340 0.075 0.000 0.234 155 R C 2.565 179.002 176.300 0.228 0.000 1.134 155 R CA 2.271 58.584 56.100 0.355 0.000 0.952 155 R CB -0.567 29.842 30.300 0.182 0.000 0.850 155 R HN 0.728 nan 8.270 nan 0.000 0.433 156 T N -1.632 113.004 114.554 0.137 0.000 2.821 156 T HA -0.166 4.228 4.350 0.075 0.000 0.267 156 T C 1.736 176.417 174.700 -0.030 0.000 1.046 156 T CA 1.165 63.294 62.100 0.048 0.000 1.139 156 T CB -0.527 68.360 68.868 0.032 0.000 0.871 156 T HN 0.340 nan 8.240 nan 0.000 0.454 157 F N 1.395 121.217 119.950 -0.214 0.000 2.075 157 F HA 0.080 4.651 4.527 0.073 0.000 0.297 157 F C 1.714 177.423 175.800 -0.151 0.000 1.113 157 F CA 1.022 58.825 58.000 -0.327 0.000 1.218 157 F CB -0.517 38.109 39.000 -0.622 0.000 0.984 157 F HN 0.101 nan 8.300 nan 0.000 0.472 158 F N 1.053 120.980 119.950 -0.038 0.000 2.494 158 F HA -0.141 4.427 4.527 0.068 0.000 0.298 158 F C 2.371 178.123 175.800 -0.080 0.000 1.106 158 F CA 1.194 59.172 58.000 -0.038 0.000 1.452 158 F CB -0.801 38.302 39.000 0.171 0.000 1.085 158 F HN 0.152 nan 8.300 nan 0.000 0.569 159 Q N -0.504 119.332 119.800 0.059 0.000 2.224 159 Q HA -0.159 4.225 4.340 0.075 0.000 0.203 159 Q C 2.311 178.257 176.000 -0.090 0.000 0.970 159 Q CA 0.762 56.579 55.803 0.023 0.000 0.865 159 Q CB -0.162 28.593 28.738 0.028 0.000 0.922 159 Q HN 0.340 nan 8.270 nan 0.000 0.445 160 R N 0.402 120.762 120.500 -0.234 0.000 2.189 160 R HA -0.042 4.343 4.340 0.075 0.000 0.223 160 R C 1.231 177.333 176.300 -0.330 0.000 1.092 160 R CA 0.700 56.582 56.100 -0.363 0.000 0.989 160 R CB 0.162 30.193 30.300 -0.448 0.000 0.876 160 R HN 0.245 nan 8.270 nan 0.000 0.457 161 L N 0.330 121.489 121.223 -0.106 0.000 2.700 161 L HA 0.115 4.500 4.340 0.075 0.000 0.234 161 L C 0.167 177.258 176.870 0.369 0.000 1.156 161 L CA -0.222 54.776 54.840 0.263 0.000 0.946 161 L CB -0.025 42.222 42.059 0.312 0.000 1.216 161 L HN 0.215 nan 8.230 nan 0.000 0.493 162 N N 0.935 119.754 118.700 0.198 0.000 2.725 162 N HA -0.190 4.595 4.740 0.075 0.000 0.249 162 N C -0.424 175.186 175.510 0.165 0.000 1.103 162 N CA 0.745 53.903 53.050 0.179 0.000 0.707 162 N CB -0.400 38.250 38.487 0.272 0.000 1.043 162 N HN 0.100 nan 8.380 nan 0.000 0.553 163 M N 0.805 120.517 119.600 0.187 0.000 2.205 163 M HA 0.313 4.838 4.480 0.075 0.000 0.344 163 M C 0.676 177.050 176.300 0.124 0.000 1.085 163 M CA -0.682 54.709 55.300 0.153 0.000 1.001 163 M CB 1.182 33.891 32.600 0.181 0.000 1.626 163 M HN 0.323 nan 8.290 nan 0.000 0.442 164 N N 1.399 120.150 118.700 0.085 0.000 2.405 164 N HA 0.198 4.982 4.740 0.075 0.000 0.269 164 N C 0.187 175.759 175.510 0.103 0.000 1.249 164 N CA -0.310 52.791 53.050 0.086 0.000 0.974 164 N CB 0.467 38.992 38.487 0.063 0.000 1.204 164 N HN 0.361 nan 8.380 nan 0.000 0.565 165 D N -0.292 120.185 120.400 0.128 0.000 2.116 165 D HA -0.153 4.531 4.640 0.075 0.000 0.193 165 D C 1.724 178.136 176.300 0.188 0.000 0.998 165 D CA 1.524 55.663 54.000 0.231 0.000 0.836 165 D CB -0.129 40.750 40.800 0.131 0.000 0.951 165 D HN 0.512 nan 8.370 nan 0.000 0.449 166 R N 0.357 120.924 120.500 0.113 0.000 2.081 166 R HA -0.091 4.294 4.340 0.075 0.000 0.235 166 R C 2.258 178.645 176.300 0.145 0.000 1.131 166 R CA 1.083 57.253 56.100 0.117 0.000 0.960 166 R CB -0.093 30.267 30.300 0.101 0.000 0.856 166 R HN 0.346 nan 8.270 nan 0.000 0.436 167 E N -0.032 120.212 120.200 0.075 0.000 2.072 167 E HA -0.162 4.232 4.350 0.075 0.000 0.191 167 E C 2.053 178.589 176.600 -0.106 0.000 0.985 167 E CA 1.375 57.784 56.400 0.015 0.000 0.801 167 E CB -0.078 29.623 29.700 0.002 0.000 0.750 167 E HN 0.184 nan 8.360 nan 0.000 0.452 168 V N 0.252 120.037 119.914 -0.215 0.000 2.358 168 V HA -0.178 3.987 4.120 0.075 0.000 0.246 168 V C 2.071 177.950 176.094 -0.359 0.000 1.047 168 V CA 1.449 63.408 62.300 -0.568 0.000 1.035 168 V CB -0.135 31.234 31.823 -0.756 0.000 0.658 168 V HN 0.087 nan 8.190 nan 0.000 0.452 169 V N 1.100 120.938 119.914 -0.126 0.000 2.407 169 V HA -0.142 4.022 4.120 0.075 0.000 0.248 169 V C 3.058 179.354 176.094 0.336 0.000 1.055 169 V CA 2.098 64.431 62.300 0.056 0.000 1.049 169 V CB -1.417 30.468 31.823 0.104 0.000 0.662 169 V HN 0.693 nan 8.190 nan 0.000 0.455 170 A N -0.182 122.874 122.820 0.394 0.000 1.877 170 A HA -0.147 4.218 4.320 0.075 0.000 0.216 170 A C 2.223 180.087 177.584 0.467 0.000 1.186 170 A CA 1.742 54.067 52.037 0.481 0.000 0.620 170 A CB -0.548 18.643 19.000 0.318 0.000 0.822 170 A HN 0.486 nan 8.150 nan 0.000 0.443 171 L N -1.885 119.406 121.223 0.113 0.000 2.083 171 L HA -0.163 4.221 4.340 0.075 0.000 0.209 171 L C 2.673 179.428 176.870 -0.192 0.000 1.083 171 L CA 1.484 56.314 54.840 -0.017 0.000 0.752 171 L CB -0.332 41.577 42.059 -0.249 0.000 0.899 171 L HN 0.385 nan 8.230 nan 0.000 0.433 172 M N -0.135 119.233 119.600 -0.386 0.000 2.460 172 M HA -0.041 4.483 4.480 0.075 0.000 0.263 172 M C 1.859 177.369 176.300 -1.316 0.000 1.071 172 M CA 0.992 55.792 55.300 -0.833 0.000 1.096 172 M CB -0.489 31.738 32.600 -0.622 0.000 1.408 172 M HN 0.142 nan 8.290 nan 0.000 0.463 173 G N -1.056 107.308 108.800 -0.726 0.000 2.559 173 G HA2 -0.010 3.995 3.960 0.075 0.000 0.216 173 G HA3 -0.010 3.995 3.960 0.075 0.000 0.216 173 G C 1.423 175.816 174.900 -0.845 0.000 1.126 173 G CA 0.660 45.201 45.100 -0.931 0.000 0.778 173 G HN 0.580 nan 8.290 nan 0.000 0.543 174 A N -0.107 122.303 122.820 -0.684 0.000 2.168 174 A HA 0.059 4.423 4.320 0.075 0.000 0.215 174 A C 1.681 178.869 177.584 -0.661 0.000 1.152 174 A CA 0.660 52.348 52.037 -0.582 0.000 0.716 174 A CB -0.613 18.235 19.000 -0.252 0.000 0.794 174 A HN 0.596 nan 8.150 nan 0.000 0.465 175 H N -1.003 117.395 119.070 -1.120 0.000 2.563 175 H HA 0.149 4.736 4.556 0.051 0.000 0.272 175 H C 2.071 176.860 175.328 -0.898 0.000 1.005 175 H CA 0.094 55.253 56.048 -1.482 0.000 1.171 175 H CB 0.214 28.619 29.762 -2.262 0.000 1.351 175 H HN 0.590 nan 8.280 nan 0.000 0.602 176 A N 0.701 123.204 122.820 -0.529 0.000 2.119 176 A HA 0.029 4.393 4.320 0.075 0.000 0.217 176 A C 0.814 178.306 177.584 -0.154 0.000 1.153 176 A CA 0.331 52.202 52.037 -0.277 0.000 0.692 176 A CB -0.052 18.707 19.000 -0.402 0.000 0.799 176 A HN 0.201 nan 8.150 nan 0.000 0.458 177 L N -0.674 120.442 121.223 -0.179 0.000 2.307 177 L HA 0.584 4.968 4.340 0.075 0.000 0.282 177 L C 1.223 178.167 176.870 0.123 0.000 1.051 177 L CA 0.063 54.888 54.840 -0.026 0.000 0.804 177 L CB 0.918 42.959 42.059 -0.031 0.000 1.197 177 L HN 0.525 nan 8.230 nan 0.000 0.431 178 G N 3.048 111.940 108.800 0.155 0.000 2.552 178 G HA2 -0.244 3.760 3.960 0.075 0.000 0.265 178 G HA3 -0.244 3.760 3.960 0.075 0.000 0.265 178 G C -0.605 174.440 174.900 0.241 0.000 1.234 178 G CA 0.388 45.609 45.100 0.202 0.000 0.944 178 G HN 0.962 nan 8.290 nan 0.000 0.568 179 K N -1.951 118.546 120.400 0.163 0.000 2.578 179 K HA 0.692 5.057 4.320 0.075 0.000 0.287 179 K C -0.549 175.841 176.600 -0.350 0.000 1.010 179 K CA -0.291 55.892 56.287 -0.174 0.000 0.889 179 K CB 1.137 33.448 32.500 -0.314 0.000 1.514 179 K HN 1.252 nan 8.250 nan 0.000 0.424 180 T N -0.831 113.363 114.554 -0.600 0.000 2.845 180 T HA 0.359 4.753 4.350 0.075 0.000 0.288 180 T C -0.445 174.011 174.700 -0.407 0.000 0.980 180 T CA -0.646 61.230 62.100 -0.374 0.000 1.071 180 T CB 0.409 69.058 68.868 -0.364 0.000 0.941 180 T HN 0.502 nan 8.240 nan 0.000 0.487 181 H N 2.887 121.945 119.070 -0.020 0.000 2.505 181 H HA 0.295 4.889 4.556 0.063 0.000 0.338 181 H C 0.682 176.008 175.328 -0.003 0.000 1.057 181 H CA -0.794 55.242 56.048 -0.019 0.000 1.202 181 H CB 2.269 32.024 29.762 -0.012 0.000 1.466 181 H HN 0.473 nan 8.280 nan 0.000 0.499 182 L N 4.106 125.368 121.223 0.064 0.000 2.042 182 L HA -0.242 4.142 4.340 0.075 0.000 0.210 182 L C 2.479 179.364 176.870 0.026 0.000 1.076 182 L CA 1.888 56.737 54.840 0.015 0.000 0.749 182 L CB -0.297 41.752 42.059 -0.017 0.000 0.893 182 L HN 0.622 nan 8.230 nan 0.000 0.432 183 K N -1.887 118.542 120.400 0.049 0.000 2.283 183 K HA -0.121 4.244 4.320 0.075 0.000 0.202 183 K C 1.480 178.103 176.600 0.039 0.000 1.048 183 K CA 1.532 57.838 56.287 0.032 0.000 0.948 183 K CB -0.259 32.256 32.500 0.026 0.000 0.742 183 K HN 0.338 nan 8.250 nan 0.000 0.458 184 N N 0.746 119.491 118.700 0.073 0.000 2.333 184 N HA -0.058 4.727 4.740 0.075 0.000 0.183 184 N C 1.566 177.132 175.510 0.095 0.000 1.030 184 N CA 1.714 54.809 53.050 0.076 0.000 0.867 184 N CB 0.285 38.831 38.487 0.099 0.000 1.027 184 N HN 0.429 nan 8.380 nan 0.000 0.435 185 S N -1.817 113.963 115.700 0.133 0.000 2.578 185 S HA 0.382 4.896 4.470 0.075 0.000 0.228 185 S C 1.215 175.865 174.600 0.084 0.000 1.022 185 S CA 0.428 58.736 58.200 0.180 0.000 0.967 185 S CB 1.007 64.396 63.200 0.315 0.000 0.914 185 S HN 0.397 nan 8.310 nan 0.000 0.515 186 G N 0.341 109.117 108.800 -0.039 0.000 2.132 186 G HA2 -0.226 3.779 3.960 0.075 0.000 0.234 186 G HA3 -0.226 3.779 3.960 0.075 0.000 0.234 186 G C -0.331 174.262 174.900 -0.512 0.000 0.989 186 G CA 0.250 45.195 45.100 -0.257 0.000 0.676 186 G HN 0.553 nan 8.290 nan 0.000 0.522 187 Y N -0.596 119.685 120.300 -0.032 0.000 2.499 187 Y HA 0.713 5.309 4.550 0.077 0.000 0.347 187 Y C 0.069 175.899 175.900 -0.117 0.000 0.987 187 Y CA -1.241 56.813 58.100 -0.076 0.000 1.044 187 Y CB 2.278 40.688 38.460 -0.084 0.000 1.245 187 Y HN 0.145 nan 8.280 nan 0.000 0.461 188 E N 1.008 121.210 120.200 0.003 0.000 2.275 188 E HA 0.719 5.114 4.350 0.075 0.000 0.270 188 E C -0.539 175.977 176.600 -0.140 0.000 0.882 188 E CA -0.252 56.095 56.400 -0.088 0.000 0.758 188 E CB 1.867 31.527 29.700 -0.066 0.000 1.195 188 E HN 0.912 nan 8.360 nan 0.000 0.419 189 G N 3.639 112.308 108.800 -0.219 0.000 2.459 189 G HA2 0.050 4.054 3.960 0.075 0.000 0.685 189 G HA3 0.050 4.054 3.960 0.075 0.000 0.685 189 G C -3.011 171.691 174.900 -0.330 0.000 1.303 189 G CA -0.519 44.459 45.100 -0.205 0.000 0.907 189 G HN 0.503 nan 8.290 nan 0.000 0.632 190 P HA 0.308 nan 4.420 nan 0.000 0.282 190 P C 0.390 177.635 177.300 -0.092 0.000 1.259 190 P CA -0.593 62.423 63.100 -0.141 0.000 0.826 190 P CB 1.111 32.818 31.700 0.012 0.000 1.064 191 W N 0.726 122.016 121.300 -0.017 0.000 2.737 191 W HA 0.186 4.893 4.660 0.079 0.000 0.262 191 W C 0.963 177.353 176.519 -0.215 0.000 1.282 191 W CA 0.711 58.062 57.345 0.010 0.000 1.386 191 W CB 0.354 29.855 29.460 0.070 0.000 1.099 191 W HN 0.478 nan 8.180 nan 0.000 0.621 192 G N -1.735 106.972 108.800 -0.154 0.000 2.721 192 G HA2 0.444 4.449 3.960 0.075 0.000 0.296 192 G HA3 0.444 4.449 3.960 0.075 0.000 0.296 192 G C 0.036 174.675 174.900 -0.435 0.000 1.383 192 G CA 0.060 44.766 45.100 -0.658 0.000 0.788 192 G HN -0.129 nan 8.290 nan 0.000 0.500 193 A N -0.916 121.705 122.820 -0.333 0.000 1.943 193 A HA 0.577 4.942 4.320 0.075 0.000 0.213 193 A C 1.788 179.380 177.584 0.012 0.000 1.181 193 A CA 1.717 53.754 52.037 -0.001 0.000 0.653 193 A CB -0.319 18.756 19.000 0.126 0.000 0.833 193 A HN 1.766 nan 8.150 nan 0.000 0.451 194 A N 0.839 123.650 122.820 -0.016 0.000 3.091 194 A HA 0.290 4.655 4.320 0.075 0.000 0.264 194 A C 0.688 178.280 177.584 0.014 0.000 1.673 194 A CA -0.477 51.568 52.037 0.013 0.000 1.362 194 A CB -0.758 18.250 19.000 0.015 0.000 1.137 194 A HN 0.437 nan 8.150 nan 0.000 0.617 195 N N 1.679 120.398 118.700 0.032 0.000 2.192 195 N HA -0.174 4.611 4.740 0.075 0.000 0.188 195 N C 0.800 176.345 175.510 0.057 0.000 1.013 195 N CA 1.815 54.896 53.050 0.051 0.000 0.863 195 N CB -0.023 38.500 38.487 0.060 0.000 0.990 195 N HN 0.956 nan 8.380 nan 0.000 0.430 196 N N -0.881 117.855 118.700 0.061 0.000 2.365 196 N HA 0.156 4.941 4.740 0.075 0.000 0.257 196 N C -1.157 174.400 175.510 0.078 0.000 1.287 196 N CA -0.245 52.848 53.050 0.071 0.000 0.882 196 N CB 0.771 39.306 38.487 0.081 0.000 1.250 196 N HN -0.205 nan 8.380 nan 0.000 0.507 197 V N 1.361 121.319 119.914 0.074 0.000 2.569 197 V HA 0.323 4.488 4.120 0.075 0.000 0.301 197 V C -0.874 175.287 176.094 0.111 0.000 1.044 197 V CA -0.827 61.535 62.300 0.103 0.000 0.874 197 V CB 1.484 33.364 31.823 0.095 0.000 1.002 197 V HN 0.178 nan 8.190 nan 0.000 0.424 198 F N 5.358 125.297 119.950 -0.018 0.000 2.494 198 F HA 0.509 4.988 4.527 -0.081 0.000 0.369 198 F C 0.877 176.759 175.800 0.135 0.000 1.098 198 F CA 0.716 58.685 58.000 -0.051 0.000 1.154 198 F CB 0.512 39.368 39.000 -0.240 0.000 1.103 198 F HN 0.758 nan 8.300 nan 0.000 0.549 199 T N 0.781 115.341 114.554 0.010 0.000 2.696 199 T HA 0.268 4.663 4.350 0.075 0.000 0.291 199 T C 0.172 174.971 174.700 0.165 0.000 1.095 199 T CA -0.618 61.617 62.100 0.224 0.000 1.026 199 T CB 1.205 70.140 68.868 0.112 0.000 1.390 199 T HN 0.579 nan 8.240 nan 0.000 0.513 200 N N -0.854 117.957 118.700 0.186 0.000 2.322 200 N HA 0.113 4.898 4.740 0.075 0.000 0.216 200 N C 1.155 176.677 175.510 0.021 0.000 1.144 200 N CA -0.431 52.660 53.050 0.067 0.000 0.830 200 N CB 0.230 38.802 38.487 0.142 0.000 1.034 200 N HN 0.692 nan 8.380 nan 0.000 0.484 201 E N 0.609 120.786 120.200 -0.038 0.000 2.160 201 E HA -0.252 4.143 4.350 0.075 0.000 0.195 201 E C 1.114 177.662 176.600 -0.088 0.000 0.991 201 E CA 0.961 57.331 56.400 -0.050 0.000 0.810 201 E CB -0.101 29.558 29.700 -0.069 0.000 0.742 201 E HN 0.547 nan 8.360 nan 0.000 0.466 202 F N 0.390 120.104 119.950 -0.393 0.000 2.091 202 F HA -0.285 4.297 4.527 0.091 0.000 0.299 202 F C 1.615 177.150 175.800 -0.441 0.000 1.103 202 F CA 1.817 59.503 58.000 -0.524 0.000 1.228 202 F CB -0.500 37.951 39.000 -0.916 0.000 0.984 202 F HN 0.080 nan 8.300 nan 0.000 0.477 203 Y N -0.090 120.092 120.300 -0.196 0.000 2.263 203 Y HA -0.094 4.504 4.550 0.080 0.000 0.292 203 Y C 2.339 178.149 175.900 -0.149 0.000 1.130 203 Y CA 1.111 59.076 58.100 -0.224 0.000 1.179 203 Y CB -0.941 37.447 38.460 -0.120 0.000 0.998 203 Y HN 0.063 nan 8.280 nan 0.000 0.532 204 L N -0.174 121.082 121.223 0.054 0.000 2.056 204 L HA -0.213 4.171 4.340 0.075 0.000 0.207 204 L C 1.923 178.828 176.870 0.060 0.000 1.078 204 L CA 1.148 56.018 54.840 0.050 0.000 0.749 204 L CB -0.446 41.641 42.059 0.046 0.000 0.901 204 L HN 0.228 nan 8.230 nan 0.000 0.433 205 N N -0.061 118.671 118.700 0.054 0.000 2.188 205 N HA -0.115 4.670 4.740 0.075 0.000 0.184 205 N C 1.931 177.683 175.510 0.404 0.000 1.018 205 N CA 0.983 54.157 53.050 0.207 0.000 0.858 205 N CB -0.240 38.378 38.487 0.219 0.000 0.989 205 N HN 0.256 nan 8.380 nan 0.000 0.426 206 L N 0.360 121.648 121.223 0.109 0.000 2.046 206 L HA -0.105 4.280 4.340 0.075 0.000 0.208 206 L C 1.917 178.915 176.870 0.212 0.000 1.077 206 L CA 1.013 55.869 54.840 0.028 0.000 0.747 206 L CB -0.146 41.666 42.059 -0.412 0.000 0.896 206 L HN 0.153 nan 8.230 nan 0.000 0.432 207 L N -1.407 119.881 121.223 0.108 0.000 2.168 207 L HA -0.080 4.305 4.340 0.075 0.000 0.203 207 L C 1.738 178.666 176.870 0.096 0.000 1.078 207 L CA 1.139 56.028 54.840 0.080 0.000 0.780 207 L CB -0.367 41.708 42.059 0.027 0.000 0.939 207 L HN 0.273 nan 8.230 nan 0.000 0.451 208 N N -1.029 117.721 118.700 0.085 0.000 2.422 208 N HA -0.009 4.776 4.740 0.075 0.000 0.181 208 N C 0.120 175.612 175.510 -0.030 0.000 1.080 208 N CA 0.050 53.119 53.050 0.033 0.000 0.893 208 N CB 0.426 38.931 38.487 0.030 0.000 0.973 208 N HN 0.238 nan 8.380 nan 0.000 0.456 209 E N 1.057 121.207 120.200 -0.083 0.000 2.250 209 E HA 0.162 4.557 4.350 0.075 0.000 0.269 209 E C -1.050 175.254 176.600 -0.493 0.000 1.018 209 E CA -0.228 55.928 56.400 -0.408 0.000 0.873 209 E CB 1.128 30.319 29.700 -0.850 0.000 1.134 209 E HN 0.082 nan 8.360 nan 0.000 0.403 210 D N 1.502 121.629 120.400 -0.455 0.000 2.396 210 D HA 0.198 4.882 4.640 0.075 0.000 0.225 210 D C -0.851 175.292 176.300 -0.261 0.000 1.121 210 D CA -0.173 53.691 54.000 -0.227 0.000 0.853 210 D CB 0.310 41.047 40.800 -0.105 0.000 1.043 210 D HN 0.114 nan 8.370 nan 0.000 0.500 211 W N 2.808 124.210 121.300 0.170 0.000 2.365 211 W HA 0.424 5.125 4.660 0.069 0.000 0.316 211 W C 0.511 177.194 176.519 0.273 0.000 1.164 211 W CA -0.843 56.644 57.345 0.235 0.000 1.204 211 W CB 1.124 30.770 29.460 0.310 0.000 1.213 211 W HN -0.130 nan 8.180 nan 0.000 0.539 212 K N 3.171 123.841 120.400 0.450 0.000 2.443 212 K HA 0.324 4.689 4.320 0.075 0.000 0.252 212 K C -1.398 175.161 176.600 -0.068 0.000 0.933 212 K CA -1.375 55.027 56.287 0.191 0.000 0.792 212 K CB 2.580 35.124 32.500 0.073 0.000 1.185 212 K HN 0.413 nan 8.250 nan 0.000 0.425 213 L N 3.561 124.479 121.223 -0.509 0.000 2.385 213 L HA 0.151 4.536 4.340 0.075 0.000 0.281 213 L C -0.525 176.083 176.870 -0.436 0.000 1.106 213 L CA 0.881 55.172 54.840 -0.915 0.000 0.856 213 L CB 0.066 41.094 42.059 -1.718 0.000 1.186 213 L HN 0.535 nan 8.230 nan 0.000 0.453 214 E N 3.847 123.853 120.200 -0.324 0.000 2.392 214 E HA 0.430 4.825 4.350 0.075 0.000 0.269 214 E C -1.244 175.258 176.600 -0.163 0.000 0.924 214 E CA -1.207 55.080 56.400 -0.188 0.000 0.784 214 E CB 1.918 31.550 29.700 -0.112 0.000 1.292 214 E HN 0.397 nan 8.360 nan 0.000 0.447 215 K N 1.450 121.776 120.400 -0.122 0.000 2.172 215 K HA 0.183 4.548 4.320 0.075 0.000 0.276 215 K C -0.252 176.295 176.600 -0.088 0.000 1.013 215 K CA -0.381 55.842 56.287 -0.106 0.000 0.913 215 K CB 0.608 33.052 32.500 -0.093 0.000 1.055 215 K HN 0.456 nan 8.250 nan 0.000 0.461 216 N N 0.943 119.587 118.700 -0.094 0.000 2.514 216 N HA 0.103 4.888 4.740 0.075 0.000 0.299 216 N C -0.014 175.444 175.510 -0.087 0.000 1.292 216 N CA -0.325 52.674 53.050 -0.085 0.000 0.963 216 N CB 0.279 38.712 38.487 -0.090 0.000 1.124 216 N HN 0.339 nan 8.380 nan 0.000 0.580 217 D N -1.489 118.864 120.400 -0.079 0.000 2.348 217 D HA 0.068 4.753 4.640 0.075 0.000 0.216 217 D C 0.655 176.907 176.300 -0.079 0.000 0.970 217 D CA 0.741 54.700 54.000 -0.069 0.000 0.889 217 D CB -0.271 40.497 40.800 -0.054 0.000 0.912 217 D HN 0.648 nan 8.370 nan 0.000 0.524 218 A N 1.038 123.792 122.820 -0.110 0.000 2.423 218 A HA 0.058 4.423 4.320 0.075 0.000 0.246 218 A C 1.031 178.535 177.584 -0.134 0.000 1.278 218 A CA 0.294 52.256 52.037 -0.124 0.000 0.903 218 A CB -0.414 18.488 19.000 -0.164 0.000 0.997 218 A HN 0.225 nan 8.150 nan 0.000 0.510 219 N N -0.212 118.417 118.700 -0.119 0.000 2.828 219 N HA -0.174 4.611 4.740 0.075 0.000 0.248 219 N C -1.084 174.349 175.510 -0.128 0.000 1.044 219 N CA 1.094 54.080 53.050 -0.107 0.000 0.851 219 N CB -2.094 36.346 38.487 -0.078 0.000 1.136 219 N HN 0.445 nan 8.380 nan 0.000 0.572 220 N N 1.370 119.956 118.700 -0.190 0.000 2.515 220 N HA 0.199 4.983 4.740 0.075 0.000 0.279 220 N C -0.454 174.977 175.510 -0.133 0.000 1.164 220 N CA 0.059 52.977 53.050 -0.220 0.000 0.982 220 N CB 0.770 38.937 38.487 -0.534 0.000 1.170 220 N HN 0.271 nan 8.380 nan 0.000 0.474 221 E N 1.290 121.457 120.200 -0.055 0.000 2.174 221 E HA 0.182 4.577 4.350 0.075 0.000 0.282 221 E C -0.300 176.308 176.600 0.014 0.000 0.992 221 E CA -0.468 55.888 56.400 -0.074 0.000 0.803 221 E CB 1.326 30.946 29.700 -0.132 0.000 1.090 221 E HN 0.505 nan 8.360 nan 0.000 0.396 222 Q N 1.573 121.336 119.800 -0.062 0.000 2.495 222 Q HA 0.456 4.841 4.340 0.075 0.000 0.287 222 Q C -1.299 174.591 176.000 -0.184 0.000 1.078 222 Q CA -1.090 54.715 55.803 0.003 0.000 0.793 222 Q CB 1.212 30.049 28.738 0.165 0.000 1.459 222 Q HN 0.387 nan 8.270 nan 0.000 0.422 223 W N 1.480 122.746 121.300 -0.057 0.000 2.331 223 W HA 0.396 5.099 4.660 0.072 0.000 0.306 223 W C -0.804 175.837 176.519 0.203 0.000 1.162 223 W CA 0.094 57.410 57.345 -0.048 0.000 1.232 223 W CB 1.118 30.376 29.460 -0.337 0.000 1.235 223 W HN 0.463 nan 8.180 nan 0.000 0.479 224 D N 1.508 122.160 120.400 0.421 0.000 2.252 224 D HA 0.428 5.113 4.640 0.075 0.000 0.245 224 D C -0.179 176.308 176.300 0.312 0.000 1.009 224 D CA -0.430 53.794 54.000 0.373 0.000 0.870 224 D CB 1.906 42.783 40.800 0.129 0.000 1.251 224 D HN 0.239 nan 8.370 nan 0.000 0.460 225 S N -0.525 115.209 115.700 0.057 0.000 2.689 225 S HA 0.325 4.840 4.470 0.075 0.000 0.306 225 S C 0.892 175.343 174.600 -0.248 0.000 1.104 225 S CA -0.779 57.231 58.200 -0.318 0.000 0.973 225 S CB 2.137 64.809 63.200 -0.881 0.000 1.121 225 S HN 0.474 nan 8.310 nan 0.000 0.523 226 K N 0.263 120.499 120.400 -0.273 0.000 2.362 226 K HA 0.033 4.398 4.320 0.075 0.000 0.200 226 K C 1.222 177.653 176.600 -0.280 0.000 1.046 226 K CA 1.348 57.503 56.287 -0.220 0.000 0.952 226 K CB -0.403 31.990 32.500 -0.178 0.000 0.753 226 K HN 0.382 nan 8.250 nan 0.000 0.466 227 S N 0.275 115.708 115.700 -0.444 0.000 2.562 227 S HA 0.123 4.638 4.470 0.075 0.000 0.221 227 S C 1.156 175.373 174.600 -0.638 0.000 0.975 227 S CA 0.524 58.353 58.200 -0.618 0.000 0.918 227 S CB 0.268 62.870 63.200 -0.997 0.000 0.772 227 S HN 0.739 nan 8.310 nan 0.000 0.531 228 G N 0.438 108.986 108.800 -0.419 0.000 2.144 228 G HA2 -0.213 3.792 3.960 0.075 0.000 0.218 228 G HA3 -0.213 3.792 3.960 0.075 0.000 0.218 228 G C -0.228 174.674 174.900 0.002 0.000 0.988 228 G CA -0.321 44.668 45.100 -0.186 0.000 0.659 228 G HN 0.396 nan 8.290 nan 0.000 0.522 229 Y N -0.229 120.083 120.300 0.021 0.000 2.432 229 Y HA 0.851 5.456 4.550 0.092 0.000 0.322 229 Y C 0.603 176.669 175.900 0.276 0.000 1.246 229 Y CA -1.328 56.849 58.100 0.129 0.000 1.268 229 Y CB 1.094 39.685 38.460 0.218 0.000 1.276 229 Y HN 0.423 nan 8.280 nan 0.000 0.499 230 M N 0.853 120.699 119.600 0.411 0.000 2.631 230 M HA 0.822 5.347 4.480 0.075 0.000 0.288 230 M C -1.654 174.663 176.300 0.027 0.000 1.260 230 M CA -0.896 54.558 55.300 0.257 0.000 0.842 230 M CB 2.360 34.951 32.600 -0.015 0.000 1.743 230 M HN 0.308 nan 8.290 nan 0.000 0.461 231 M N 2.332 121.900 119.600 -0.053 0.000 2.324 231 M HA 0.545 5.070 4.480 0.075 0.000 0.288 231 M C -1.421 174.917 176.300 0.063 0.000 1.097 231 M CA -0.509 54.755 55.300 -0.060 0.000 0.928 231 M CB 2.120 34.458 32.600 -0.437 0.000 1.648 231 M HN 0.922 nan 8.290 nan 0.000 0.460 232 L N 3.722 125.009 121.223 0.108 0.000 2.464 232 L HA 0.212 4.596 4.340 0.075 0.000 0.264 232 L C -1.249 175.714 176.870 0.155 0.000 1.199 232 L CA -1.336 53.492 54.840 -0.021 0.000 0.818 232 L CB 0.160 42.164 42.059 -0.092 0.000 1.102 232 L HN 0.452 nan 8.230 nan 0.000 0.473 233 P HA -0.148 nan 4.420 nan 0.000 0.219 233 P C 1.375 178.804 177.300 0.216 0.000 1.146 233 P CA 1.304 64.590 63.100 0.309 0.000 0.808 233 P CB 0.048 31.903 31.700 0.258 0.000 0.779 234 T N -4.348 110.303 114.554 0.162 0.000 2.951 234 T HA -0.091 4.304 4.350 0.075 0.000 0.268 234 T C 1.418 176.217 174.700 0.166 0.000 1.073 234 T CA 1.066 63.275 62.100 0.182 0.000 1.134 234 T CB -0.754 68.233 68.868 0.199 0.000 0.884 234 T HN 0.039 nan 8.240 nan 0.000 0.479 235 D N 0.317 120.830 120.400 0.188 0.000 2.103 235 D HA -0.018 4.667 4.640 0.075 0.000 0.199 235 D C 1.667 177.951 176.300 -0.027 0.000 0.978 235 D CA 0.942 55.069 54.000 0.210 0.000 0.829 235 D CB -0.451 40.558 40.800 0.349 0.000 0.981 235 D HN 0.428 nan 8.370 nan 0.000 0.464 236 Y N 1.857 122.010 120.300 -0.246 0.000 2.421 236 Y HA -0.192 4.401 4.550 0.072 0.000 0.292 236 Y C 2.391 178.097 175.900 -0.323 0.000 1.136 236 Y CA 1.345 59.138 58.100 -0.511 0.000 1.255 236 Y CB -0.082 37.789 38.460 -0.983 0.000 0.991 236 Y HN -0.065 nan 8.280 nan 0.000 0.552 237 S N -0.578 115.095 115.700 -0.045 0.000 2.474 237 S HA -0.151 4.364 4.470 0.075 0.000 0.235 237 S C 1.747 176.360 174.600 0.021 0.000 0.997 237 S CA 1.117 59.335 58.200 0.030 0.000 0.949 237 S CB -0.854 62.444 63.200 0.164 0.000 0.766 237 S HN 0.543 nan 8.310 nan 0.000 0.517 238 L N 1.003 122.176 121.223 -0.083 0.000 2.376 238 L HA 0.156 4.541 4.340 0.075 0.000 0.219 238 L C 2.201 179.018 176.870 -0.088 0.000 1.133 238 L CA 0.997 55.789 54.840 -0.080 0.000 0.816 238 L CB -0.613 41.358 42.059 -0.147 0.000 0.933 238 L HN 0.550 nan 8.230 nan 0.000 0.449 239 I N -5.376 115.027 120.570 -0.279 0.000 4.139 239 I HA 0.043 4.257 4.170 0.075 0.000 0.335 239 I C 1.939 177.893 176.117 -0.272 0.000 1.327 239 I CA 0.144 61.260 61.300 -0.307 0.000 1.112 239 I CB 0.040 37.769 38.000 -0.453 0.000 1.058 239 I HN 0.096 nan 8.210 nan 0.000 0.396 240 Q N 1.472 121.126 119.800 -0.243 0.000 2.163 240 Q HA 0.021 4.406 4.340 0.075 0.000 0.198 240 Q C 0.600 176.583 176.000 -0.028 0.000 0.954 240 Q CA 0.732 56.463 55.803 -0.120 0.000 0.851 240 Q CB 0.220 28.930 28.738 -0.048 0.000 0.928 240 Q HN 0.514 nan 8.270 nan 0.000 0.459 241 D N 1.062 121.476 120.400 0.022 0.000 2.317 241 D HA 0.020 4.705 4.640 0.075 0.000 0.252 241 D C -1.712 174.585 176.300 -0.005 0.000 1.174 241 D CA -1.935 52.078 54.000 0.022 0.000 0.866 241 D CB 1.556 42.394 40.800 0.063 0.000 1.127 241 D HN -0.035 nan 8.370 nan 0.000 0.467 242 P HA -0.141 nan 4.420 nan 0.000 0.216 242 P C 0.949 178.222 177.300 -0.044 0.000 1.150 242 P CA 1.062 64.140 63.100 -0.038 0.000 0.837 242 P CB 0.522 32.200 31.700 -0.037 0.000 0.786 243 K N -1.641 118.710 120.400 -0.082 0.000 2.167 243 K HA -0.084 4.281 4.320 0.075 0.000 0.203 243 K C 2.303 178.896 176.600 -0.011 0.000 1.052 243 K CA 0.968 57.203 56.287 -0.088 0.000 0.956 243 K CB -0.380 32.028 32.500 -0.154 0.000 0.735 243 K HN 0.057 nan 8.250 nan 0.000 0.451 244 Y N 0.793 121.065 120.300 -0.045 0.000 2.263 244 Y HA -0.077 4.522 4.550 0.082 0.000 0.292 244 Y C 1.959 177.812 175.900 -0.078 0.000 1.130 244 Y CA 0.234 58.305 58.100 -0.049 0.000 1.179 244 Y CB -0.385 38.062 38.460 -0.022 0.000 0.998 244 Y HN 0.019 nan 8.280 nan 0.000 0.532 245 L N -0.199 121.072 121.223 0.080 0.000 2.046 245 L HA -0.236 4.148 4.340 0.075 0.000 0.208 245 L C 2.374 179.215 176.870 -0.050 0.000 1.077 245 L CA 2.282 57.114 54.840 -0.014 0.000 0.747 245 L CB -0.638 41.398 42.059 -0.040 0.000 0.896 245 L HN 0.370 nan 8.230 nan 0.000 0.432 246 S N -0.423 115.245 115.700 -0.053 0.000 2.402 246 S HA -0.152 4.363 4.470 0.075 0.000 0.229 246 S C 1.841 176.349 174.600 -0.154 0.000 1.021 246 S CA 1.050 59.198 58.200 -0.086 0.000 0.974 246 S CB -0.623 62.534 63.200 -0.071 0.000 0.800 246 S HN 0.500 nan 8.310 nan 0.000 0.484 247 I N 1.204 121.666 120.570 -0.180 0.000 2.406 247 I HA -0.048 4.166 4.170 0.075 0.000 0.249 247 I C 2.383 178.182 176.117 -0.530 0.000 1.122 247 I CA 0.533 61.596 61.300 -0.394 0.000 1.431 247 I CB -0.400 37.415 38.000 -0.308 0.000 1.087 247 I HN 0.180 nan 8.210 nan 0.000 0.424 248 V N 1.211 120.984 119.914 -0.235 0.000 2.343 248 V HA -0.288 3.877 4.120 0.075 0.000 0.247 248 V C 2.463 178.465 176.094 -0.154 0.000 1.051 248 V CA 1.888 64.122 62.300 -0.109 0.000 1.036 248 V CB -0.645 31.198 31.823 0.034 0.000 0.654 248 V HN 0.383 nan 8.190 nan 0.000 0.451 249 K N -0.330 119.988 120.400 -0.137 0.000 2.057 249 K HA -0.225 4.140 4.320 0.075 0.000 0.207 249 K C 2.245 178.772 176.600 -0.122 0.000 1.049 249 K CA 1.671 57.899 56.287 -0.099 0.000 0.931 249 K CB -0.182 32.271 32.500 -0.079 0.000 0.714 249 K HN 0.517 nan 8.250 nan 0.000 0.440 250 E N -0.103 119.973 120.200 -0.206 0.000 2.077 250 E HA -0.200 4.195 4.350 0.075 0.000 0.193 250 E C 1.610 178.161 176.600 -0.083 0.000 0.989 250 E CA 1.230 57.519 56.400 -0.184 0.000 0.800 250 E CB 0.068 29.583 29.700 -0.309 0.000 0.746 250 E HN 0.299 nan 8.360 nan 0.000 0.452 251 Y N -0.394 119.740 120.300 -0.277 0.000 2.395 251 Y HA 0.090 4.690 4.550 0.083 0.000 0.293 251 Y C 2.143 177.868 175.900 -0.293 0.000 1.123 251 Y CA 0.572 58.424 58.100 -0.414 0.000 1.227 251 Y CB -0.826 36.971 38.460 -1.105 0.000 1.012 251 Y HN 0.113 nan 8.280 nan 0.000 0.552 252 A N 0.086 122.878 122.820 -0.046 0.000 1.968 252 A HA -0.169 4.195 4.320 0.075 0.000 0.217 252 A C 1.888 179.487 177.584 0.025 0.000 1.169 252 A CA 1.739 53.799 52.037 0.038 0.000 0.638 252 A CB -0.774 18.255 19.000 0.048 0.000 0.812 252 A HN 0.544 nan 8.150 nan 0.000 0.446 253 N N -1.060 117.646 118.700 0.009 0.000 2.405 253 N HA 0.014 4.799 4.740 0.075 0.000 0.175 253 N C -0.493 175.027 175.510 0.017 0.000 1.051 253 N CA 0.509 53.564 53.050 0.009 0.000 0.899 253 N CB 0.410 38.895 38.487 -0.004 0.000 1.000 253 N HN 0.236 nan 8.380 nan 0.000 0.451 254 D N 0.133 120.558 120.400 0.041 0.000 2.402 254 D HA 0.048 4.733 4.640 0.075 0.000 0.252 254 D C -0.061 176.280 176.300 0.069 0.000 1.294 254 D CA -0.218 53.811 54.000 0.047 0.000 0.948 254 D CB 1.153 41.992 40.800 0.066 0.000 1.202 254 D HN -0.006 nan 8.370 nan 0.000 0.561 255 Q N 2.449 122.245 119.800 -0.006 0.000 2.172 255 Q HA -0.108 4.277 4.340 0.075 0.000 0.200 255 Q C 0.408 176.272 176.000 -0.228 0.000 0.964 255 Q CA 1.042 56.806 55.803 -0.066 0.000 0.855 255 Q CB 0.427 29.084 28.738 -0.137 0.000 0.918 255 Q HN 0.444 nan 8.270 nan 0.000 0.444 256 D N 0.615 120.905 120.400 -0.185 0.000 2.117 256 D HA -0.163 4.521 4.640 0.075 0.000 0.197 256 D C 1.766 178.071 176.300 0.009 0.000 0.987 256 D CA 1.187 55.104 54.000 -0.138 0.000 0.829 256 D CB 0.028 40.785 40.800 -0.072 0.000 0.961 256 D HN 0.107 nan 8.370 nan 0.000 0.460 257 K N 0.571 121.010 120.400 0.065 0.000 2.057 257 K HA -0.135 4.230 4.320 0.075 0.000 0.206 257 K C 1.917 178.585 176.600 0.113 0.000 1.050 257 K CA 0.597 56.965 56.287 0.135 0.000 0.935 257 K CB -0.623 32.002 32.500 0.209 0.000 0.715 257 K HN 0.033 nan 8.250 nan 0.000 0.439 258 F N 0.276 120.149 119.950 -0.128 0.000 2.102 258 F HA -0.112 4.442 4.527 0.045 0.000 0.298 258 F C 1.560 177.395 175.800 0.058 0.000 1.105 258 F CA 1.267 59.000 58.000 -0.444 0.000 1.239 258 F CB -0.625 38.152 39.000 -0.372 0.000 0.991 258 F HN -0.018 nan 8.300 nan 0.000 0.474 259 F N 1.330 121.044 119.950 -0.394 0.000 2.095 259 F HA -0.167 4.414 4.527 0.090 0.000 0.298 259 F C 2.430 178.113 175.800 -0.195 0.000 1.104 259 F CA 1.698 59.483 58.000 -0.358 0.000 1.232 259 F CB -1.255 37.650 39.000 -0.159 0.000 0.987 259 F HN -0.003 nan 8.300 nan 0.000 0.475 260 K N -0.234 120.227 120.400 0.102 0.000 2.057 260 K HA -0.166 4.199 4.320 0.075 0.000 0.207 260 K C 1.715 178.330 176.600 0.026 0.000 1.049 260 K CA 1.641 57.962 56.287 0.056 0.000 0.931 260 K CB -0.255 32.283 32.500 0.064 0.000 0.714 260 K HN 0.120 nan 8.250 nan 0.000 0.440 261 D N 0.123 120.539 120.400 0.027 0.000 2.149 261 D HA -0.127 4.558 4.640 0.075 0.000 0.201 261 D C 1.602 177.908 176.300 0.011 0.000 0.972 261 D CA 0.749 54.778 54.000 0.048 0.000 0.835 261 D CB -0.182 40.704 40.800 0.142 0.000 0.966 261 D HN 0.070 nan 8.370 nan 0.000 0.476 262 F N 2.071 121.903 119.950 -0.196 0.000 2.102 262 F HA -0.242 4.350 4.527 0.107 0.000 0.298 262 F C 2.449 178.181 175.800 -0.114 0.000 1.105 262 F CA 1.857 59.739 58.000 -0.197 0.000 1.239 262 F CB -0.257 38.453 39.000 -0.483 0.000 0.991 262 F HN -0.056 nan 8.300 nan 0.000 0.474 263 S N 0.251 115.922 115.700 -0.048 0.000 2.374 263 S HA -0.285 4.230 4.470 0.075 0.000 0.227 263 S C 1.923 176.475 174.600 -0.080 0.000 1.037 263 S CA 1.642 59.808 58.200 -0.057 0.000 1.024 263 S CB -0.766 62.417 63.200 -0.027 0.000 0.861 263 S HN 0.489 nan 8.310 nan 0.000 0.456 264 K N 1.755 122.112 120.400 -0.072 0.000 2.031 264 K HA 0.168 4.533 4.320 0.075 0.000 0.205 264 K C 2.638 179.187 176.600 -0.085 0.000 1.049 264 K CA 1.077 57.327 56.287 -0.063 0.000 0.939 264 K CB -0.522 31.959 32.500 -0.032 0.000 0.717 264 K HN 0.451 nan 8.250 nan 0.000 0.438 265 A N 0.895 123.647 122.820 -0.113 0.000 1.930 265 A HA -0.155 4.210 4.320 0.075 0.000 0.217 265 A C 1.979 179.480 177.584 -0.138 0.000 1.175 265 A CA 1.109 53.076 52.037 -0.117 0.000 0.627 265 A CB -0.592 18.339 19.000 -0.115 0.000 0.815 265 A HN 0.293 nan 8.150 nan 0.000 0.443 266 F N 0.642 120.289 119.950 -0.506 0.000 2.146 266 F HA -0.063 4.543 4.527 0.131 0.000 0.298 266 F C 2.196 177.880 175.800 -0.194 0.000 1.096 266 F CA 1.715 59.434 58.000 -0.469 0.000 1.275 266 F CB -0.295 38.215 39.000 -0.816 0.000 1.008 266 F HN 0.450 nan 8.300 nan 0.000 0.480 267 E N 0.239 120.368 120.200 -0.118 0.000 2.077 267 E HA -0.283 4.112 4.350 0.075 0.000 0.193 267 E C 2.347 178.852 176.600 -0.158 0.000 0.989 267 E CA 1.383 57.701 56.400 -0.136 0.000 0.800 267 E CB -0.226 29.421 29.700 -0.088 0.000 0.746 267 E HN 0.398 nan 8.360 nan 0.000 0.452 268 K N 0.625 120.949 120.400 -0.126 0.000 2.057 268 K HA -0.146 4.219 4.320 0.075 0.000 0.207 268 K C 2.337 178.860 176.600 -0.128 0.000 1.049 268 K CA 0.999 57.220 56.287 -0.109 0.000 0.931 268 K CB -0.198 32.263 32.500 -0.065 0.000 0.714 268 K HN 0.216 nan 8.250 nan 0.000 0.440 269 L N 1.383 122.543 121.223 -0.104 0.000 2.012 269 L HA -0.183 4.202 4.340 0.075 0.000 0.210 269 L C 1.972 178.766 176.870 -0.128 0.000 1.073 269 L CA 1.590 56.402 54.840 -0.045 0.000 0.748 269 L CB -0.390 41.694 42.059 0.042 0.000 0.891 269 L HN 0.353 nan 8.230 nan 0.000 0.431 270 L N -0.954 120.131 121.223 -0.230 0.000 2.395 270 L HA -0.105 4.280 4.340 0.075 0.000 0.218 270 L C 1.748 178.536 176.870 -0.136 0.000 1.130 270 L CA 0.832 55.557 54.840 -0.191 0.000 0.826 270 L CB -0.423 41.488 42.059 -0.247 0.000 0.941 270 L HN 0.368 nan 8.230 nan 0.000 0.451 271 E N -0.750 119.358 120.200 -0.152 0.000 2.489 271 E HA 0.052 4.447 4.350 0.075 0.000 0.204 271 E C 0.069 176.522 176.600 -0.245 0.000 1.006 271 E CA -0.408 55.941 56.400 -0.085 0.000 0.936 271 E CB 0.432 30.148 29.700 0.026 0.000 1.002 271 E HN 0.294 nan 8.360 nan 0.000 0.488 272 N N 0.893 119.323 118.700 -0.451 0.000 2.359 272 N HA -0.024 4.760 4.740 0.075 0.000 0.261 272 N C 0.894 175.659 175.510 -1.243 0.000 1.267 272 N CA 1.388 53.838 53.050 -0.999 0.000 0.864 272 N CB 1.030 38.779 38.487 -1.229 0.000 1.063 272 N HN 0.358 nan 8.380 nan 0.000 0.474 273 G N 1.758 109.930 108.800 -1.047 0.000 2.195 273 G HA2 -0.254 3.751 3.960 0.075 0.000 0.246 273 G HA3 -0.254 3.751 3.960 0.075 0.000 0.246 273 G C 0.108 174.885 174.900 -0.205 0.000 0.984 273 G CA -0.134 44.740 45.100 -0.376 0.000 0.633 273 G HN 0.547 nan 8.290 nan 0.000 0.525 274 I N 1.968 122.339 120.570 -0.332 0.000 2.359 274 I HA 0.432 4.646 4.170 0.075 0.000 0.294 274 I C 0.064 175.861 176.117 -0.533 0.000 0.987 274 I CA -0.575 60.444 61.300 -0.468 0.000 1.225 274 I CB 1.832 39.454 38.000 -0.631 0.000 1.366 274 I HN -0.039 nan 8.210 nan 0.000 0.466 275 T N 6.328 120.593 114.554 -0.481 0.000 2.743 275 T HA 0.449 4.843 4.350 0.075 0.000 0.292 275 T C -0.424 174.030 174.700 -0.409 0.000 0.972 275 T CA -0.244 61.666 62.100 -0.316 0.000 0.967 275 T CB 0.069 68.827 68.868 -0.182 0.000 0.926 275 T HN 0.108 nan 8.240 nan 0.000 0.459 276 F N 4.151 124.055 119.950 -0.076 0.000 2.410 276 F HA 0.417 4.988 4.527 0.073 0.000 0.349 276 F C -1.591 174.170 175.800 -0.064 0.000 1.117 276 F CA -2.369 55.582 58.000 -0.082 0.000 1.104 276 F CB 0.339 39.264 39.000 -0.126 0.000 1.122 276 F HN 0.372 nan 8.300 nan 0.000 0.483 277 P HA 0.144 nan 4.420 nan 0.000 0.273 277 P C -0.076 177.253 177.300 0.049 0.000 1.250 277 P CA -0.465 62.667 63.100 0.053 0.000 0.793 277 P CB 0.694 32.420 31.700 0.043 0.000 1.011 278 K N 0.472 120.886 120.400 0.023 0.000 2.426 278 K HA -0.014 4.351 4.320 0.075 0.000 0.193 278 K C 0.786 177.387 176.600 0.001 0.000 1.028 278 K CA 0.602 56.893 56.287 0.007 0.000 1.047 278 K CB -0.131 32.368 32.500 -0.000 0.000 0.821 278 K HN 0.453 nan 8.250 nan 0.000 0.513 279 D N 1.296 121.703 120.400 0.011 0.000 2.350 279 D HA 0.013 4.698 4.640 0.075 0.000 0.213 279 D C 0.351 176.660 176.300 0.015 0.000 1.031 279 D CA -0.209 53.798 54.000 0.012 0.000 0.861 279 D CB 0.111 40.923 40.800 0.019 0.000 0.926 279 D HN 0.105 nan 8.370 nan 0.000 0.520 280 A N 2.385 125.214 122.820 0.014 0.000 2.425 280 A HA 0.416 4.781 4.320 0.075 0.000 0.249 280 A C -1.757 175.796 177.584 -0.053 0.000 1.084 280 A CA -0.945 51.096 52.037 0.006 0.000 0.781 280 A CB -0.167 18.857 19.000 0.041 0.000 1.019 280 A HN 0.147 nan 8.150 nan 0.000 0.490 281 P HA 0.083 nan 4.420 nan 0.000 0.270 281 P C 0.146 177.282 177.300 -0.274 0.000 1.223 281 P CA -0.158 62.878 63.100 -0.107 0.000 0.785 281 P CB 0.589 32.294 31.700 0.009 0.000 0.923 282 S N 1.772 117.333 115.700 -0.232 0.000 2.572 282 S HA 0.205 4.719 4.470 0.075 0.000 0.279 282 S C -1.989 172.332 174.600 -0.465 0.000 1.341 282 S CA -1.175 56.854 58.200 -0.286 0.000 1.043 282 S CB -0.646 62.448 63.200 -0.176 0.000 0.887 282 S HN 0.307 nan 8.310 nan 0.000 0.516 283 P HA 0.028 nan 4.420 nan 0.000 0.262 283 P C -0.849 176.233 177.300 -0.364 0.000 1.182 283 P CA 0.192 62.969 63.100 -0.537 0.000 0.761 283 P CB -0.069 31.401 31.700 -0.384 0.000 0.795 284 F N 2.983 122.805 119.950 -0.213 0.000 2.427 284 F HA 0.264 4.834 4.527 0.071 0.000 0.352 284 F C 0.961 176.474 175.800 -0.478 0.000 1.100 284 F CA -0.575 57.231 58.000 -0.323 0.000 1.191 284 F CB 0.022 38.814 39.000 -0.346 0.000 1.128 284 F HN 0.095 nan 8.300 nan 0.000 0.533 285 I N 4.741 125.186 120.570 -0.208 0.000 2.359 285 I HA 0.274 4.489 4.170 0.075 0.000 0.284 285 I C -0.618 175.394 176.117 -0.176 0.000 1.018 285 I CA -0.584 60.605 61.300 -0.184 0.000 1.173 285 I CB 0.067 38.011 38.000 -0.093 0.000 1.326 285 I HN 0.216 nan 8.210 nan 0.000 0.462 286 F N 4.790 124.763 119.950 0.038 0.000 2.399 286 F HA 0.380 4.949 4.527 0.071 0.000 0.342 286 F C 1.114 176.715 175.800 -0.332 0.000 1.106 286 F CA -0.572 57.279 58.000 -0.247 0.000 1.196 286 F CB 0.500 39.017 39.000 -0.805 0.000 1.163 286 F HN 0.231 nan 8.300 nan 0.000 0.547 287 K N 1.573 121.928 120.400 -0.075 0.000 2.298 287 K HA 0.212 4.577 4.320 0.075 0.000 0.280 287 K C 0.358 176.889 176.600 -0.116 0.000 1.032 287 K CA -0.349 55.909 56.287 -0.049 0.000 0.958 287 K CB 0.878 33.393 32.500 0.025 0.000 0.978 287 K HN 0.814 nan 8.250 nan 0.000 0.472 288 T N -0.500 114.078 114.554 0.040 0.000 2.754 288 T HA 0.116 4.511 4.350 0.075 0.000 0.286 288 T C 1.613 176.426 174.700 0.188 0.000 0.997 288 T CA -0.658 61.564 62.100 0.203 0.000 0.982 288 T CB 0.496 69.465 68.868 0.167 0.000 1.027 288 T HN 0.454 nan 8.240 nan 0.000 0.529 289 L N -0.155 121.194 121.223 0.210 0.000 2.093 289 L HA -0.038 4.347 4.340 0.075 0.000 0.208 289 L C 3.034 179.961 176.870 0.096 0.000 1.085 289 L CA 1.657 56.579 54.840 0.138 0.000 0.755 289 L CB -0.554 41.570 42.059 0.109 0.000 0.904 289 L HN 0.897 nan 8.230 nan 0.000 0.435 290 E N 0.337 120.593 120.200 0.092 0.000 2.106 290 E HA -0.236 4.159 4.350 0.075 0.000 0.192 290 E C 1.792 178.430 176.600 0.064 0.000 0.984 290 E CA 1.067 57.510 56.400 0.072 0.000 0.806 290 E CB 0.175 29.918 29.700 0.072 0.000 0.750 290 E HN 0.487 nan 8.360 nan 0.000 0.458 291 E N -0.166 120.075 120.200 0.068 0.000 2.347 291 E HA -0.122 4.272 4.350 0.075 0.000 0.196 291 E C 1.383 178.014 176.600 0.052 0.000 1.008 291 E CA 0.479 56.913 56.400 0.056 0.000 0.852 291 E CB 0.187 29.919 29.700 0.054 0.000 0.783 291 E HN 0.308 nan 8.360 nan 0.000 0.505 292 Q N -0.818 119.017 119.800 0.058 0.000 2.280 292 Q HA 0.141 4.526 4.340 0.075 0.000 0.201 292 Q C 0.750 176.777 176.000 0.046 0.000 0.890 292 Q CA 0.309 56.143 55.803 0.052 0.000 0.947 292 Q CB 1.200 29.973 28.738 0.057 0.000 1.081 292 Q HN 0.342 nan 8.270 nan 0.000 0.502 293 G N 0.261 109.089 108.800 0.047 0.000 2.157 293 G HA2 -0.231 3.773 3.960 0.075 0.000 0.248 293 G HA3 -0.231 3.773 3.960 0.075 0.000 0.248 293 G C 0.133 175.059 174.900 0.042 0.000 0.979 293 G CA -0.158 44.966 45.100 0.041 0.000 0.650 293 G HN 0.229 nan 8.290 nan 0.000 0.529 294 L N 0.000 121.252 121.223 0.049 0.000 2.949 294 L HA 0.000 4.385 4.340 0.075 0.000 0.249 294 L CA 0.000 54.869 54.840 0.048 0.000 0.813 294 L CB 0.000 42.092 42.059 0.054 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502