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 2fyn_1_G DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLRTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.905 174.900 0.009 0.000 0.946 3 G CA 0.000 45.115 45.100 0.025 0.000 0.502 4 I N 0.738 121.317 120.570 0.015 0.000 2.336 4 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 4 I C -2.324 173.783 176.117 -0.017 0.000 0.991 4 I CA -3.001 58.313 61.300 0.024 0.000 1.227 4 I CB 1.164 39.206 38.000 0.071 0.000 1.366 4 I HN -0.190 nan 8.210 nan 0.000 0.466 5 P HA 0.106 nan 4.420 nan 0.000 0.260 5 P C -1.031 176.315 177.300 0.076 0.000 1.207 5 P CA 0.597 63.689 63.100 -0.013 0.000 0.780 5 P CB -0.062 31.649 31.700 0.018 0.000 0.789 6 H N -0.202 118.931 119.070 0.105 0.000 2.949 6 H HA 0.530 5.086 4.556 -0.000 0.000 0.356 6 H C -1.020 174.405 175.328 0.161 0.000 1.212 6 H CA -1.249 54.874 56.048 0.126 0.000 1.136 6 H CB 0.685 30.526 29.762 0.131 0.000 1.869 6 H HN 0.072 nan 8.280 nan 0.000 0.556 7 D N 0.221 120.900 120.400 0.465 0.000 2.264 7 D HA 0.100 4.740 4.640 -0.000 0.000 0.250 7 D C -0.109 176.482 176.300 0.485 0.000 1.113 7 D CA -0.101 54.137 54.000 0.397 0.000 0.871 7 D CB 1.147 42.108 40.800 0.267 0.000 1.167 7 D HN 0.596 nan 8.370 nan 0.000 0.447 8 H N 1.065 120.356 119.070 0.368 0.000 2.598 8 H HA 0.079 4.635 4.556 -0.000 0.000 0.371 8 H C -0.779 174.739 175.328 0.316 0.000 1.468 8 H CA -0.072 56.202 56.048 0.376 0.000 1.454 8 H CB 0.423 30.346 29.762 0.269 0.000 1.579 8 H HN 0.356 nan 8.280 nan 0.000 0.611 9 Y N 1.006 120.772 120.300 -0.890 0.000 2.309 9 Y HA 0.219 4.769 4.550 0.000 0.000 0.327 9 Y C -0.731 174.890 175.900 -0.465 0.000 1.172 9 Y CA -0.684 56.885 58.100 -0.885 0.000 1.280 9 Y CB 0.587 38.591 38.460 -0.759 0.000 1.234 9 Y HN 0.651 nan 8.280 nan 0.000 0.512 10 E N 6.417 125.964 120.200 -1.090 0.000 2.207 10 E HA 0.342 4.692 4.350 -0.000 0.000 0.250 10 E C -2.863 173.171 176.600 -0.944 0.000 0.890 10 E CA -2.426 53.509 56.400 -0.775 0.000 0.749 10 E CB 1.003 30.463 29.700 -0.400 0.000 1.193 10 E HN 0.404 nan 8.360 nan 0.000 0.423 11 P HA -0.015 nan 4.420 nan 0.000 0.258 11 P C 0.119 177.275 177.300 -0.239 0.000 1.214 11 P CA 0.003 62.856 63.100 -0.412 0.000 0.872 11 P CB 0.524 32.089 31.700 -0.225 0.000 0.890 12 R N 1.469 121.855 120.500 -0.190 0.000 2.023 12 R HA 0.118 4.458 4.340 -0.000 0.000 0.217 12 R C 0.942 177.218 176.300 -0.039 0.000 1.255 12 R CA 0.976 57.014 56.100 -0.103 0.000 0.981 12 R CB -1.300 28.950 30.300 -0.085 0.000 0.853 12 R HN 0.285 nan 8.270 nan 0.000 0.463 13 T N -0.033 114.517 114.554 -0.006 0.000 2.640 13 T HA 0.133 4.483 4.350 -0.000 0.000 0.316 13 T C 1.558 176.281 174.700 0.037 0.000 1.036 13 T CA 0.360 62.471 62.100 0.017 0.000 1.009 13 T CB 0.377 69.263 68.868 0.030 0.000 1.017 13 T HN 0.445 nan 8.240 nan 0.000 0.530 14 G N -0.411 108.414 108.800 0.042 0.000 2.395 14 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.214 14 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.214 14 G C 1.508 176.481 174.900 0.122 0.000 1.177 14 G CA 0.154 45.294 45.100 0.067 0.000 0.794 14 G HN 0.696 nan 8.290 nan 0.000 0.532 15 I N 0.816 121.440 120.570 0.090 0.000 2.315 15 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 15 I C 2.670 178.926 176.117 0.231 0.000 1.125 15 I CA 1.279 62.657 61.300 0.130 0.000 1.392 15 I CB -0.225 37.809 38.000 0.058 0.000 1.065 15 I HN 0.276 nan 8.210 nan 0.000 0.424 16 E N 0.931 121.239 120.200 0.180 0.000 2.072 16 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 16 E C 2.156 178.902 176.600 0.243 0.000 0.982 16 E CA 0.913 57.443 56.400 0.216 0.000 0.803 16 E CB 0.025 29.828 29.700 0.171 0.000 0.755 16 E HN 0.479 nan 8.360 nan 0.000 0.453 17 K N -0.039 120.470 120.400 0.181 0.000 2.148 17 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 17 K C 1.786 178.504 176.600 0.197 0.000 1.050 17 K CA 1.080 57.456 56.287 0.147 0.000 0.942 17 K CB -0.150 32.403 32.500 0.088 0.000 0.724 17 K HN 0.193 nan 8.250 nan 0.000 0.446 18 W N 1.568 122.907 121.300 0.065 0.000 2.378 18 W HA -0.164 4.496 4.660 0.000 0.000 0.313 18 W C 1.814 178.375 176.519 0.069 0.000 1.197 18 W CA 0.843 58.221 57.345 0.054 0.000 1.304 18 W CB -0.405 29.075 29.460 0.035 0.000 1.148 18 W HN -0.050 nan 8.180 nan 0.000 0.494 19 L N 0.412 121.804 121.223 0.280 0.000 2.046 19 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 19 L C 2.709 179.566 176.870 -0.021 0.000 1.077 19 L CA 2.436 57.327 54.840 0.085 0.000 0.747 19 L CB -1.598 40.595 42.059 0.223 0.000 0.896 19 L HN 0.180 nan 8.230 nan 0.000 0.432 20 H N -0.575 118.509 119.070 0.023 0.000 2.387 20 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 20 H C 2.139 177.449 175.328 -0.030 0.000 1.099 20 H CA 1.614 57.683 56.048 0.035 0.000 1.315 20 H CB 0.011 29.855 29.762 0.135 0.000 1.380 20 H HN 0.555 nan 8.280 nan 0.000 0.513 21 S N -0.155 115.629 115.700 0.139 0.000 2.555 21 S HA 0.033 4.503 4.470 -0.000 0.000 0.230 21 S C 1.909 176.457 174.600 -0.088 0.000 0.978 21 S CA 0.331 58.558 58.200 0.044 0.000 0.934 21 S CB 0.216 63.400 63.200 -0.027 0.000 0.766 21 S HN 0.401 nan 8.310 nan 0.000 0.533 22 R N -0.486 119.903 120.500 -0.186 0.000 2.167 22 R HA 0.488 4.828 4.340 -0.000 0.000 0.195 22 R C -0.632 175.561 176.300 -0.179 0.000 1.027 22 R CA 0.144 56.099 56.100 -0.243 0.000 1.114 22 R CB 0.169 30.199 30.300 -0.449 0.000 1.075 22 R HN 0.335 nan 8.270 nan 0.000 0.538 23 L N 2.088 123.202 121.223 -0.182 0.000 2.680 23 L HA 0.304 4.644 4.340 -0.000 0.000 0.260 23 L C -2.679 174.067 176.870 -0.207 0.000 0.975 23 L CA -1.671 53.072 54.840 -0.162 0.000 0.920 23 L CB 2.066 44.045 42.059 -0.132 0.000 1.234 23 L HN -0.116 nan 8.230 nan 0.000 0.429 24 P HA 0.092 nan 4.420 nan 0.000 0.262 24 P C 1.045 178.164 177.300 -0.302 0.000 1.647 24 P CA 0.207 63.047 63.100 -0.433 0.000 0.865 24 P CB -0.255 31.158 31.700 -0.479 0.000 1.834 25 I N -1.061 119.375 120.570 -0.223 0.000 2.286 25 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 25 I C 2.306 178.289 176.117 -0.223 0.000 1.115 25 I CA 1.011 62.202 61.300 -0.181 0.000 1.392 25 I CB -0.904 37.020 38.000 -0.126 0.000 1.065 25 I HN -0.089 nan 8.210 nan 0.000 0.418 26 V N 1.427 121.179 119.914 -0.271 0.000 2.407 26 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 26 V C 2.864 178.569 176.094 -0.648 0.000 1.055 26 V CA 1.823 63.901 62.300 -0.370 0.000 1.049 26 V CB -1.301 30.329 31.823 -0.320 0.000 0.662 26 V HN 0.495 nan 8.190 nan 0.000 0.455 27 A N 0.608 122.982 122.820 -0.744 0.000 1.834 27 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 27 A C 2.289 179.725 177.584 -0.246 0.000 1.203 27 A CA 2.302 53.939 52.037 -0.668 0.000 0.621 27 A CB -0.801 18.021 19.000 -0.298 0.000 0.841 27 A HN 0.509 nan 8.150 nan 0.000 0.446 28 L N -0.596 120.529 121.223 -0.164 0.000 2.043 28 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 28 L C 2.627 179.441 176.870 -0.093 0.000 1.075 28 L CA 2.131 56.917 54.840 -0.090 0.000 0.752 28 L CB -0.383 41.602 42.059 -0.122 0.000 0.891 28 L HN 0.383 nan 8.230 nan 0.000 0.432 29 A N -1.290 121.453 122.820 -0.129 0.000 2.019 29 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 29 A C 2.079 179.633 177.584 -0.051 0.000 1.164 29 A CA 1.740 53.716 52.037 -0.102 0.000 0.644 29 A CB -0.945 17.985 19.000 -0.117 0.000 0.805 29 A HN 0.745 nan 8.150 nan 0.000 0.449 30 Y N 0.966 121.152 120.300 -0.191 0.000 2.176 30 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 30 Y C 1.721 177.595 175.900 -0.044 0.000 1.122 30 Y CA 1.717 59.746 58.100 -0.119 0.000 1.128 30 Y CB -0.088 38.276 38.460 -0.159 0.000 1.005 30 Y HN 0.326 nan 8.280 nan 0.000 0.509 31 D N -0.744 119.664 120.400 0.013 0.000 2.221 31 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 31 D C 1.949 178.233 176.300 -0.027 0.000 0.982 31 D CA 1.758 55.728 54.000 -0.050 0.000 0.857 31 D CB -0.362 40.529 40.800 0.152 0.000 0.934 31 D HN 0.379 nan 8.370 nan 0.000 0.475 32 T N 0.529 115.069 114.554 -0.024 0.000 2.851 32 T HA -0.035 4.315 4.350 -0.000 0.000 0.262 32 T C 1.758 176.561 174.700 0.172 0.000 1.043 32 T CA 0.091 62.187 62.100 -0.006 0.000 1.140 32 T CB 0.064 68.840 68.868 -0.154 0.000 0.872 32 T HN 0.020 nan 8.240 nan 0.000 0.446 33 I N 0.742 121.372 120.570 0.102 0.000 3.428 33 I HA 0.191 4.361 4.170 -0.000 0.000 0.286 33 I C 1.200 177.469 176.117 0.253 0.000 1.287 33 I CA 0.768 62.214 61.300 0.243 0.000 1.396 33 I CB -0.162 37.852 38.000 0.023 0.000 1.062 33 I HN 0.125 nan 8.210 nan 0.000 0.471 34 M N -0.576 119.031 119.600 0.011 0.000 2.313 34 M HA 0.266 4.746 4.480 -0.000 0.000 0.273 34 M C 0.364 176.682 176.300 0.029 0.000 1.049 34 M CA -0.467 54.792 55.300 -0.069 0.000 1.004 34 M CB -0.384 31.888 32.600 -0.546 0.000 1.461 34 M HN -0.037 nan 8.290 nan 0.000 0.514 35 I N 4.677 125.332 120.570 0.142 0.000 2.826 35 I HA -0.014 4.156 4.170 -0.000 0.000 0.295 35 I C -1.771 174.469 176.117 0.205 0.000 1.213 35 I CA -1.245 60.164 61.300 0.182 0.000 1.436 35 I CB 0.433 38.555 38.000 0.205 0.000 1.348 35 I HN 0.025 nan 8.210 nan 0.000 0.570 36 P HA 0.140 nan 4.420 nan 0.000 0.276 36 P C -1.158 176.225 177.300 0.137 0.000 1.243 36 P CA -0.251 62.949 63.100 0.166 0.000 0.768 36 P CB 0.395 32.185 31.700 0.150 0.000 0.856 37 T N 0.646 115.306 114.554 0.176 0.000 2.861 37 T HA 0.473 4.822 4.350 -0.000 0.000 0.287 37 T C -2.904 171.867 174.700 0.118 0.000 1.003 37 T CA -2.928 59.250 62.100 0.129 0.000 0.977 37 T CB 1.147 70.104 68.868 0.149 0.000 0.996 37 T HN 0.135 nan 8.240 nan 0.000 0.448 38 P HA -0.069 nan 4.420 nan 0.000 0.260 38 P C 0.627 177.856 177.300 -0.118 0.000 1.147 38 P CA 0.264 63.291 63.100 -0.122 0.000 0.758 38 P CB 0.573 32.133 31.700 -0.233 0.000 0.744 39 R N 1.905 122.232 120.500 -0.288 0.000 2.120 39 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 39 R C 1.139 177.006 176.300 -0.722 0.000 1.123 39 R CA 1.093 56.798 56.100 -0.657 0.000 0.975 39 R CB -0.357 29.246 30.300 -1.161 0.000 0.866 39 R HN 0.646 nan 8.270 nan 0.000 0.446 40 N N 1.278 119.675 118.700 -0.505 0.000 2.434 40 N HA 0.206 4.946 4.740 -0.000 0.000 0.272 40 N C -0.867 174.376 175.510 -0.444 0.000 1.040 40 N CA -0.008 52.825 53.050 -0.361 0.000 0.956 40 N CB 1.516 39.885 38.487 -0.197 0.000 1.108 40 N HN 0.017 nan 8.380 nan 0.000 0.481 41 L N 1.855 122.810 121.223 -0.447 0.000 2.849 41 L HA 0.152 4.492 4.340 -0.000 0.000 0.256 41 L C -0.718 175.907 176.870 -0.408 0.000 0.951 41 L CA -0.888 53.511 54.840 -0.735 0.000 1.003 41 L CB 1.300 42.820 42.059 -0.898 0.000 1.408 41 L HN 0.657 nan 8.230 nan 0.000 0.463 42 N N 0.909 119.443 118.700 -0.277 0.000 2.347 42 N HA 0.106 4.846 4.740 -0.000 0.000 0.253 42 N C 0.750 176.326 175.510 0.111 0.000 1.274 42 N CA -0.426 52.546 53.050 -0.131 0.000 0.941 42 N CB 0.492 38.995 38.487 0.025 0.000 1.200 42 N HN 0.614 nan 8.380 nan 0.000 0.514 43 W N -0.874 120.541 121.300 0.191 0.000 2.389 43 W HA -0.065 4.595 4.660 -0.000 0.000 0.267 43 W C 1.651 178.261 176.519 0.151 0.000 1.219 43 W CA -0.177 57.251 57.345 0.139 0.000 1.189 43 W CB -0.119 29.412 29.460 0.119 0.000 1.129 43 W HN 0.287 nan 8.180 nan 0.000 0.581 44 M N -1.325 118.598 119.600 0.538 0.000 2.686 44 M HA -0.117 4.363 4.480 -0.000 0.000 0.246 44 M C 1.165 177.667 176.300 0.336 0.000 1.096 44 M CA 0.647 56.262 55.300 0.526 0.000 1.076 44 M CB -1.115 31.764 32.600 0.466 0.000 1.504 44 M HN 0.316 nan 8.290 nan 0.000 0.524 45 W N 0.251 121.601 121.300 0.085 0.000 3.211 45 W HA 0.108 4.768 4.660 -0.000 0.000 0.292 45 W C 1.733 178.237 176.519 -0.025 0.000 1.268 45 W CA 0.218 57.569 57.345 0.010 0.000 1.702 45 W CB 0.130 29.504 29.460 -0.144 0.000 1.092 45 W HN 0.252 nan 8.180 nan 0.000 0.643 46 I N -3.289 117.289 120.570 0.013 0.000 2.830 46 I HA -0.122 4.048 4.170 -0.000 0.000 0.263 46 I C 1.777 177.725 176.117 -0.282 0.000 1.230 46 I CA 1.103 62.304 61.300 -0.164 0.000 1.480 46 I CB -0.865 36.943 38.000 -0.321 0.000 1.095 46 I HN -0.193 nan 8.210 nan 0.000 0.455 47 W N 2.188 123.556 121.300 0.113 0.000 2.364 47 W HA -0.011 4.649 4.660 0.000 0.000 0.281 47 W C 2.641 179.088 176.519 -0.119 0.000 1.219 47 W CA 0.862 58.232 57.345 0.042 0.000 1.220 47 W CB -0.675 28.859 29.460 0.123 0.000 1.127 47 W HN 0.219 nan 8.180 nan 0.000 0.556 48 G N 0.116 108.929 108.800 0.022 0.000 2.432 48 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 48 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 48 G C 1.422 176.322 174.900 0.001 0.000 1.135 48 G CA 1.411 46.427 45.100 -0.139 0.000 0.767 48 G HN 0.186 nan 8.290 nan 0.000 0.550 49 V N 0.366 120.314 119.914 0.057 0.000 2.407 49 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 49 V C 2.979 179.133 176.094 0.100 0.000 1.041 49 V CA 1.099 63.461 62.300 0.104 0.000 1.040 49 V CB -0.041 31.857 31.823 0.124 0.000 0.671 49 V HN 0.227 nan 8.190 nan 0.000 0.455 50 V N 0.117 120.074 119.914 0.072 0.000 2.453 50 V HA -0.286 3.834 4.120 -0.000 0.000 0.252 50 V C 2.269 178.440 176.094 0.129 0.000 1.068 50 V CA 1.891 64.260 62.300 0.114 0.000 1.070 50 V CB -0.626 31.312 31.823 0.191 0.000 0.664 50 V HN 0.441 nan 8.190 nan 0.000 0.461 51 L N -0.184 121.093 121.223 0.090 0.000 2.044 51 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 51 L C 2.745 179.585 176.870 -0.050 0.000 1.075 51 L CA 1.437 56.307 54.840 0.050 0.000 0.747 51 L CB -0.755 41.331 42.059 0.045 0.000 0.903 51 L HN 0.343 nan 8.230 nan 0.000 0.435 52 A N -0.128 122.706 122.820 0.024 0.000 1.933 52 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 52 A C 2.161 179.711 177.584 -0.058 0.000 1.175 52 A CA 1.573 53.618 52.037 0.013 0.000 0.628 52 A CB -0.831 18.228 19.000 0.098 0.000 0.814 52 A HN 0.410 nan 8.150 nan 0.000 0.444 53 F N 0.532 120.418 119.950 -0.107 0.000 2.069 53 F HA -0.258 4.268 4.527 -0.000 0.000 0.298 53 F C 2.504 178.158 175.800 -0.243 0.000 1.113 53 F CA 1.763 59.691 58.000 -0.120 0.000 1.214 53 F CB -0.860 38.089 39.000 -0.084 0.000 0.978 53 F HN 0.299 nan 8.300 nan 0.000 0.474 54 C N 0.437 119.499 119.300 -0.397 0.000 2.398 54 C HA -0.206 4.254 4.460 -0.000 0.000 0.276 54 C C 2.706 177.112 174.990 -0.972 0.000 1.222 54 C CA 1.160 59.730 59.018 -0.747 0.000 1.746 54 C CB -1.612 25.571 27.740 -0.927 0.000 2.039 54 C HN 0.681 nan 8.230 nan 0.000 0.470 55 L N 0.749 121.397 121.223 -0.959 0.000 2.043 55 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 55 L C 2.456 179.066 176.870 -0.432 0.000 1.075 55 L CA 1.928 56.371 54.840 -0.661 0.000 0.752 55 L CB -0.811 41.060 42.059 -0.313 0.000 0.891 55 L HN 0.221 nan 8.230 nan 0.000 0.432 56 V N -0.654 119.012 119.914 -0.414 0.000 2.307 56 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 56 V C 2.491 178.355 176.094 -0.384 0.000 1.045 56 V CA 1.623 63.724 62.300 -0.330 0.000 1.024 56 V CB -0.644 31.004 31.823 -0.292 0.000 0.651 56 V HN 0.567 nan 8.190 nan 0.000 0.449 57 L N 0.158 121.009 121.223 -0.619 0.000 1.990 57 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 57 L C 2.486 179.218 176.870 -0.229 0.000 1.072 57 L CA 2.078 56.636 54.840 -0.470 0.000 0.755 57 L CB -0.928 40.764 42.059 -0.613 0.000 0.889 57 L HN 0.268 nan 8.230 nan 0.000 0.432 58 Q N -0.025 119.606 119.800 -0.281 0.000 2.030 58 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 58 Q C 2.449 178.423 176.000 -0.043 0.000 0.986 58 Q CA 2.407 58.139 55.803 -0.119 0.000 0.843 58 Q CB -0.555 28.046 28.738 -0.229 0.000 0.904 58 Q HN 0.665 nan 8.270 nan 0.000 0.420 59 I N 0.715 121.184 120.570 -0.169 0.000 2.264 59 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 59 I C 2.406 178.455 176.117 -0.114 0.000 1.111 59 I CA 1.328 62.520 61.300 -0.180 0.000 1.382 59 I CB -0.420 37.464 38.000 -0.194 0.000 1.060 59 I HN 0.107 nan 8.210 nan 0.000 0.418 60 V N -1.125 118.740 119.914 -0.082 0.000 2.346 60 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 60 V C 2.508 178.584 176.094 -0.031 0.000 1.037 60 V CA 1.903 64.179 62.300 -0.039 0.000 1.029 60 V CB -1.506 30.302 31.823 -0.025 0.000 0.663 60 V HN 0.527 nan 8.190 nan 0.000 0.454 61 T N -1.448 113.105 114.554 -0.002 0.000 2.897 61 T HA -0.000 4.349 4.350 -0.000 0.000 0.271 61 T C 1.945 176.566 174.700 -0.131 0.000 1.084 61 T CA 1.521 63.627 62.100 0.010 0.000 1.123 61 T CB -1.083 67.859 68.868 0.123 0.000 0.865 61 T HN 0.755 nan 8.240 nan 0.000 0.496 62 G N 2.151 110.840 108.800 -0.185 0.000 2.464 62 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.214 62 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.214 62 G C 1.520 176.245 174.900 -0.292 0.000 1.218 62 G CA 0.778 45.636 45.100 -0.404 0.000 0.794 62 G HN 0.553 nan 8.290 nan 0.000 0.542 63 I N 0.602 121.048 120.570 -0.206 0.000 2.194 63 I HA -0.199 3.971 4.170 -0.000 0.000 0.246 63 I C 2.811 178.925 176.117 -0.004 0.000 1.093 63 I CA 0.730 61.977 61.300 -0.089 0.000 1.355 63 I CB -0.751 37.268 38.000 0.032 0.000 1.046 63 I HN 0.017 nan 8.210 nan 0.000 0.413 64 V N 1.393 121.306 119.914 -0.002 0.000 2.252 64 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 64 V C 2.526 178.688 176.094 0.114 0.000 1.056 64 V CA 1.980 64.314 62.300 0.058 0.000 1.022 64 V CB -0.541 31.311 31.823 0.047 0.000 0.641 64 V HN 0.366 nan 8.190 nan 0.000 0.445 65 L N -0.081 121.160 121.223 0.031 0.000 2.083 65 L HA -0.162 4.177 4.340 -0.000 0.000 0.209 65 L C 2.599 179.554 176.870 0.141 0.000 1.083 65 L CA 1.467 56.348 54.840 0.067 0.000 0.752 65 L CB -0.681 41.315 42.059 -0.106 0.000 0.899 65 L HN 0.377 nan 8.230 nan 0.000 0.433 66 A N -0.757 122.123 122.820 0.100 0.000 2.070 66 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 66 A C 2.196 179.897 177.584 0.195 0.000 1.159 66 A CA 1.340 53.526 52.037 0.249 0.000 0.656 66 A CB -0.477 18.667 19.000 0.241 0.000 0.800 66 A HN 0.401 nan 8.150 nan 0.000 0.453 67 M N -1.170 118.466 119.600 0.061 0.000 2.659 67 M HA -0.004 4.476 4.480 -0.000 0.000 0.243 67 M C 1.015 177.046 176.300 -0.448 0.000 1.111 67 M CA 0.778 55.978 55.300 -0.167 0.000 1.070 67 M CB 0.017 32.464 32.600 -0.256 0.000 1.525 67 M HN 0.500 nan 8.290 nan 0.000 0.517 68 H N -3.247 115.864 119.070 0.067 0.000 3.643 68 H HA 0.135 4.691 4.556 -0.000 0.000 0.256 68 H C -0.481 174.837 175.328 -0.017 0.000 1.107 68 H CA -0.153 55.910 56.048 0.024 0.000 1.175 68 H CB 0.443 30.253 29.762 0.080 0.000 1.519 68 H HN 0.195 nan 8.280 nan 0.000 0.565 69 Y N 3.727 124.034 120.300 0.011 0.000 2.319 69 Y HA 0.260 4.810 4.550 -0.000 0.000 0.328 69 Y C 0.297 176.069 175.900 -0.214 0.000 1.133 69 Y CA -0.528 57.522 58.100 -0.084 0.000 1.265 69 Y CB 0.917 39.341 38.460 -0.060 0.000 1.218 69 Y HN -0.056 nan 8.280 nan 0.000 0.508 70 T N 6.046 119.974 114.554 -1.044 0.000 2.791 70 T HA 0.408 4.758 4.350 -0.000 0.000 0.288 70 T C -2.880 171.145 174.700 -1.125 0.000 0.999 70 T CA -2.540 59.049 62.100 -0.850 0.000 0.952 70 T CB 1.540 70.125 68.868 -0.472 0.000 0.938 70 T HN 0.558 nan 8.240 nan 0.000 0.444 71 P HA 0.184 nan 4.420 nan 0.000 0.244 71 P C -0.826 176.310 177.300 -0.273 0.000 1.769 71 P CA 0.106 62.929 63.100 -0.462 0.000 1.102 71 P CB -0.507 30.976 31.700 -0.362 0.000 1.937 72 H N 2.035 120.840 119.070 -0.441 0.000 3.128 72 H HA 0.046 4.602 4.556 -0.000 0.000 0.336 72 H C 0.649 175.720 175.328 -0.428 0.000 1.026 72 H CA -0.483 55.338 56.048 -0.378 0.000 1.376 72 H CB 2.288 31.876 29.762 -0.290 0.000 1.882 72 H HN -0.150 nan 8.280 nan 0.000 0.479 73 V N 4.056 123.554 119.914 -0.693 0.000 2.353 73 V HA -0.322 3.797 4.120 -0.000 0.000 0.260 73 V C 1.370 177.339 176.094 -0.208 0.000 1.091 73 V CA 2.867 64.743 62.300 -0.707 0.000 1.088 73 V CB 0.006 31.416 31.823 -0.689 0.000 0.672 73 V HN 0.729 nan 8.190 nan 0.000 0.455 74 D N -1.301 119.165 120.400 0.110 0.000 2.323 74 D HA 0.046 4.686 4.640 -0.000 0.000 0.209 74 D C 1.693 178.011 176.300 0.030 0.000 0.973 74 D CA 1.009 55.064 54.000 0.092 0.000 0.874 74 D CB 0.318 41.183 40.800 0.109 0.000 0.930 74 D HN 0.486 nan 8.370 nan 0.000 0.521 75 L N -0.384 120.832 121.223 -0.013 0.000 2.766 75 L HA 0.301 4.641 4.340 -0.000 0.000 0.241 75 L C 2.331 179.137 176.870 -0.106 0.000 1.080 75 L CA 0.162 54.952 54.840 -0.083 0.000 0.909 75 L CB -0.156 41.793 42.059 -0.184 0.000 1.277 75 L HN -0.197 nan 8.230 nan 0.000 0.510 76 A N 1.147 123.868 122.820 -0.164 0.000 1.894 76 A HA -0.336 3.984 4.320 -0.000 0.000 0.220 76 A C 2.166 179.819 177.584 0.115 0.000 1.237 76 A CA 2.502 54.431 52.037 -0.180 0.000 0.660 76 A CB -1.059 17.858 19.000 -0.139 0.000 0.835 76 A HN 0.403 nan 8.150 nan 0.000 0.461 77 F N 0.581 120.587 119.950 0.094 0.000 2.075 77 F HA -0.020 4.507 4.527 0.000 0.000 0.297 77 F C 2.621 178.485 175.800 0.106 0.000 1.113 77 F CA 1.465 59.555 58.000 0.150 0.000 1.218 77 F CB -0.577 38.524 39.000 0.168 0.000 0.984 77 F HN 0.264 nan 8.300 nan 0.000 0.472 78 A N -0.590 122.360 122.820 0.217 0.000 1.940 78 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 78 A C 2.357 179.943 177.584 0.004 0.000 1.176 78 A CA 2.115 54.210 52.037 0.096 0.000 0.631 78 A CB -1.502 17.561 19.000 0.105 0.000 0.814 78 A HN 0.528 nan 8.150 nan 0.000 0.446 79 S N -0.500 115.179 115.700 -0.035 0.000 2.383 79 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 79 S C 1.793 176.410 174.600 0.028 0.000 1.030 79 S CA 1.783 59.937 58.200 -0.077 0.000 1.002 79 S CB -0.550 62.507 63.200 -0.239 0.000 0.829 79 S HN 0.310 nan 8.310 nan 0.000 0.467 80 V N 1.309 121.234 119.914 0.019 0.000 2.719 80 V HA 0.037 4.157 4.120 -0.000 0.000 0.252 80 V C 2.720 178.777 176.094 -0.061 0.000 1.065 80 V CA 1.778 64.085 62.300 0.012 0.000 1.086 80 V CB -0.774 31.034 31.823 -0.025 0.000 0.700 80 V HN 0.428 nan 8.190 nan 0.000 0.467 81 E N -0.355 119.765 120.200 -0.132 0.000 2.274 81 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 81 E C 2.128 178.732 176.600 0.007 0.000 0.996 81 E CA 0.740 57.080 56.400 -0.100 0.000 0.840 81 E CB -0.330 29.289 29.700 -0.135 0.000 0.772 81 E HN 0.720 nan 8.360 nan 0.000 0.491 82 H N 0.155 119.190 119.070 -0.058 0.000 2.333 82 H HA 0.023 4.579 4.556 -0.000 0.000 0.302 82 H C 1.968 177.267 175.328 -0.048 0.000 1.075 82 H CA 1.375 57.402 56.048 -0.036 0.000 1.348 82 H CB -0.167 29.581 29.762 -0.023 0.000 1.393 82 H HN 0.183 nan 8.280 nan 0.000 0.509 83 I N 0.582 121.256 120.570 0.173 0.000 2.530 83 I HA -0.266 3.904 4.170 -0.000 0.000 0.257 83 I C 2.337 178.421 176.117 -0.055 0.000 1.179 83 I CA 0.659 61.979 61.300 0.034 0.000 1.440 83 I CB -0.131 37.895 38.000 0.042 0.000 1.087 83 I HN 0.272 nan 8.210 nan 0.000 0.440 84 M N -0.128 119.450 119.600 -0.037 0.000 2.216 84 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 84 M C 2.303 178.610 176.300 0.013 0.000 1.080 84 M CA 1.708 56.997 55.300 -0.017 0.000 1.153 84 M CB -0.770 31.808 32.600 -0.036 0.000 1.356 84 M HN 0.138 nan 8.290 nan 0.000 0.432 85 R N -0.572 119.897 120.500 -0.052 0.000 2.189 85 R HA 0.068 4.408 4.340 -0.000 0.000 0.203 85 R C 1.612 177.839 176.300 -0.122 0.000 1.012 85 R CA 0.660 56.718 56.100 -0.069 0.000 1.015 85 R CB 0.124 30.382 30.300 -0.071 0.000 0.938 85 R HN 0.371 nan 8.270 nan 0.000 0.472 86 N N -0.076 118.466 118.700 -0.263 0.000 2.591 86 N HA 0.036 4.776 4.740 -0.000 0.000 0.200 86 N C 0.224 175.585 175.510 -0.248 0.000 1.040 86 N CA 0.173 53.027 53.050 -0.327 0.000 0.911 86 N CB -0.023 38.060 38.487 -0.674 0.000 1.259 86 N HN -0.158 nan 8.380 nan 0.000 0.438 87 V N 4.009 123.739 119.914 -0.308 0.000 2.644 87 V HA -0.083 4.037 4.120 -0.000 0.000 0.305 87 V C 0.321 176.327 176.094 -0.147 0.000 1.053 87 V CA -0.140 62.009 62.300 -0.252 0.000 1.186 87 V CB -0.238 31.312 31.823 -0.454 0.000 0.895 87 V HN 0.260 nan 8.190 nan 0.000 0.490 88 N N 4.785 123.429 118.700 -0.094 0.000 2.394 88 N HA 0.050 4.790 4.740 -0.000 0.000 0.277 88 N C 1.253 176.711 175.510 -0.087 0.000 1.346 88 N CA 1.195 54.221 53.050 -0.042 0.000 0.910 88 N CB 0.546 39.025 38.487 -0.013 0.000 1.201 88 N HN 1.122 nan 8.380 nan 0.000 0.488 89 G N 1.654 110.397 108.800 -0.094 0.000 2.148 89 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 89 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 89 G C 1.238 175.848 174.900 -0.483 0.000 0.981 89 G CA 0.562 45.444 45.100 -0.363 0.000 0.670 89 G HN 0.685 nan 8.290 nan 0.000 0.528 90 G N 1.052 109.688 108.800 -0.274 0.000 2.440 90 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 90 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 90 G C 1.581 176.328 174.900 -0.255 0.000 1.154 90 G CA 1.541 46.503 45.100 -0.229 0.000 0.767 90 G HN 1.238 nan 8.290 nan 0.000 0.552 91 F N 0.020 119.904 119.950 -0.110 0.000 2.154 91 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 91 F C 2.276 178.020 175.800 -0.093 0.000 1.087 91 F CA 1.395 59.301 58.000 -0.155 0.000 1.274 91 F CB -0.427 38.526 39.000 -0.078 0.000 1.009 91 F HN 0.041 nan 8.300 nan 0.000 0.485 92 M N 0.074 119.064 119.600 -1.016 0.000 2.514 92 M HA 0.130 4.610 4.480 -0.000 0.000 0.258 92 M C 2.012 178.221 176.300 -0.152 0.000 1.119 92 M CA 0.739 55.783 55.300 -0.427 0.000 1.111 92 M CB -0.437 31.811 32.600 -0.587 0.000 1.390 92 M HN 0.384 nan 8.290 nan 0.000 0.475 93 L N -0.980 120.128 121.223 -0.192 0.000 2.127 93 L HA -0.118 4.222 4.340 -0.000 0.000 0.203 93 L C 2.708 179.590 176.870 0.019 0.000 1.080 93 L CA 0.632 55.440 54.840 -0.054 0.000 0.768 93 L CB -0.545 41.468 42.059 -0.075 0.000 0.924 93 L HN 0.193 nan 8.230 nan 0.000 0.444 94 R N 0.195 120.669 120.500 -0.043 0.000 2.088 94 R HA -0.227 4.113 4.340 -0.000 0.000 0.232 94 R C 2.357 178.728 176.300 0.119 0.000 1.136 94 R CA 2.086 58.182 56.100 -0.007 0.000 0.926 94 R CB -0.920 29.294 30.300 -0.143 0.000 0.837 94 R HN 0.198 nan 8.270 nan 0.000 0.429 95 Y N 1.135 121.508 120.300 0.121 0.000 2.228 95 Y HA -0.200 4.350 4.550 -0.000 0.000 0.285 95 Y C 2.452 178.421 175.900 0.115 0.000 1.178 95 Y CA 1.101 59.278 58.100 0.127 0.000 1.202 95 Y CB -0.690 37.835 38.460 0.108 0.000 0.974 95 Y HN 0.080 nan 8.280 nan 0.000 0.527 96 L N -1.631 119.742 121.223 0.249 0.000 2.093 96 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 96 L C 2.402 179.443 176.870 0.286 0.000 1.085 96 L CA 1.485 56.456 54.840 0.219 0.000 0.755 96 L CB -0.430 41.728 42.059 0.165 0.000 0.904 96 L HN 0.222 nan 8.230 nan 0.000 0.435 97 H N -0.466 118.697 119.070 0.154 0.000 2.389 97 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 97 H C 2.051 177.482 175.328 0.171 0.000 1.081 97 H CA 1.348 57.469 56.048 0.123 0.000 1.345 97 H CB 0.172 29.980 29.762 0.077 0.000 1.393 97 H HN 0.309 nan 8.280 nan 0.000 0.520 98 A N 0.456 123.418 122.820 0.237 0.000 1.841 98 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 98 A C 2.111 179.849 177.584 0.257 0.000 1.195 98 A CA 1.762 53.943 52.037 0.241 0.000 0.611 98 A CB -0.551 18.640 19.000 0.318 0.000 0.835 98 A HN 0.584 nan 8.150 nan 0.000 0.443 99 N N 0.071 118.963 118.700 0.320 0.000 2.512 99 N HA 0.058 4.798 4.740 -0.000 0.000 0.183 99 N C 1.567 177.302 175.510 0.376 0.000 1.073 99 N CA 0.789 54.076 53.050 0.394 0.000 0.911 99 N CB -0.177 38.572 38.487 0.436 0.000 0.964 99 N HN 0.486 nan 8.380 nan 0.000 0.447 100 G N 0.646 109.595 108.800 0.248 0.000 2.418 100 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 100 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 100 G C 1.622 176.521 174.900 -0.003 0.000 1.158 100 G CA 0.828 45.941 45.100 0.022 0.000 0.771 100 G HN 0.375 nan 8.290 nan 0.000 0.545 101 A N 0.952 123.787 122.820 0.026 0.000 1.865 101 A HA -0.065 4.254 4.320 -0.000 0.000 0.217 101 A C 2.729 180.365 177.584 0.087 0.000 1.191 101 A CA 2.476 54.520 52.037 0.012 0.000 0.623 101 A CB -0.823 18.194 19.000 0.029 0.000 0.826 101 A HN 0.332 nan 8.150 nan 0.000 0.444 102 S N -0.482 115.414 115.700 0.328 0.000 2.359 102 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 102 S C 1.901 176.796 174.600 0.491 0.000 1.035 102 S CA 1.536 60.109 58.200 0.622 0.000 1.018 102 S CB -0.566 63.114 63.200 0.799 0.000 0.876 102 S HN 0.540 nan 8.310 nan 0.000 0.448 103 L N 1.216 122.596 121.223 0.263 0.000 2.012 103 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 103 L C 1.976 178.931 176.870 0.142 0.000 1.073 103 L CA 1.755 56.669 54.840 0.123 0.000 0.748 103 L CB -0.930 40.991 42.059 -0.229 0.000 0.891 103 L HN 0.214 nan 8.230 nan 0.000 0.431 104 F N -0.432 119.417 119.950 -0.169 0.000 2.154 104 F HA -0.274 4.253 4.527 0.000 0.000 0.301 104 F C 2.130 177.654 175.800 -0.460 0.000 1.087 104 F CA 1.498 59.298 58.000 -0.334 0.000 1.274 104 F CB -0.824 37.889 39.000 -0.478 0.000 1.009 104 F HN 0.147 nan 8.300 nan 0.000 0.485 105 F N -0.076 119.801 119.950 -0.121 0.000 2.118 105 F HA -0.052 4.475 4.527 0.000 0.000 0.293 105 F C 2.444 178.204 175.800 -0.067 0.000 1.102 105 F CA 1.034 58.836 58.000 -0.330 0.000 1.247 105 F CB -0.937 37.727 39.000 -0.560 0.000 1.017 105 F HN -0.203 nan 8.300 nan 0.000 0.475 106 I N 0.017 120.892 120.570 0.507 0.000 2.300 106 I HA -0.383 3.787 4.170 -0.000 0.000 0.252 106 I C 2.501 178.677 176.117 0.097 0.000 1.119 106 I CA 1.361 62.931 61.300 0.450 0.000 1.384 106 I CB -0.880 37.318 38.000 0.330 0.000 1.062 106 I HN 0.134 nan 8.210 nan 0.000 0.426 107 A N 0.047 122.902 122.820 0.058 0.000 1.898 107 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 107 A C 2.453 180.030 177.584 -0.010 0.000 1.183 107 A CA 1.291 53.332 52.037 0.006 0.000 0.622 107 A CB -0.872 18.259 19.000 0.219 0.000 0.824 107 A HN 0.243 nan 8.150 nan 0.000 0.444 108 V N -1.121 118.751 119.914 -0.069 0.000 2.759 108 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 108 V C 2.162 178.209 176.094 -0.080 0.000 1.080 108 V CA 1.617 63.855 62.300 -0.103 0.000 1.101 108 V CB -0.792 30.849 31.823 -0.304 0.000 0.698 108 V HN 0.626 nan 8.190 nan 0.000 0.477 109 Y N -0.337 120.026 120.300 0.105 0.000 2.206 109 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 109 Y C 2.226 178.163 175.900 0.062 0.000 1.123 109 Y CA 1.107 59.255 58.100 0.080 0.000 1.142 109 Y CB -0.730 37.878 38.460 0.246 0.000 1.006 109 Y HN 0.134 nan 8.280 nan 0.000 0.518 110 L N -0.794 120.458 121.223 0.048 0.000 2.079 110 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 110 L C 2.450 179.270 176.870 -0.083 0.000 1.081 110 L CA 1.883 56.588 54.840 -0.225 0.000 0.752 110 L CB -0.586 40.832 42.059 -1.068 0.000 0.896 110 L HN 0.294 nan 8.230 nan 0.000 0.433 111 H N 0.211 119.210 119.070 -0.119 0.000 2.321 111 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 111 H C 2.156 177.513 175.328 0.049 0.000 1.087 111 H CA 1.867 57.942 56.048 0.046 0.000 1.319 111 H CB -0.040 29.767 29.762 0.076 0.000 1.379 111 H HN 0.185 nan 8.280 nan 0.000 0.501 112 I N -0.746 119.820 120.570 -0.006 0.000 2.179 112 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 112 I C 1.778 177.869 176.117 -0.044 0.000 1.088 112 I CA 1.155 62.387 61.300 -0.113 0.000 1.357 112 I CB -0.322 37.521 38.000 -0.261 0.000 1.051 112 I HN 0.186 nan 8.210 nan 0.000 0.409 113 F N 0.657 120.630 119.950 0.039 0.000 2.216 113 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 113 F C 2.616 178.552 175.800 0.225 0.000 1.085 113 F CA 1.148 59.196 58.000 0.080 0.000 1.326 113 F CB -0.540 38.434 39.000 -0.042 0.000 1.027 113 F HN -0.020 nan 8.300 nan 0.000 0.497 114 R N 1.151 121.839 120.500 0.313 0.000 2.083 114 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 114 R C 2.342 178.810 176.300 0.280 0.000 1.137 114 R CA 1.786 58.044 56.100 0.264 0.000 0.951 114 R CB -1.427 28.919 30.300 0.077 0.000 0.851 114 R HN 0.375 nan 8.270 nan 0.000 0.434 115 G N 0.981 109.893 108.800 0.187 0.000 2.408 115 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 115 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 115 G C 1.788 176.907 174.900 0.365 0.000 1.150 115 G CA 0.548 45.802 45.100 0.257 0.000 0.776 115 G HN 0.314 nan 8.290 nan 0.000 0.542 116 L N -1.089 120.349 121.223 0.358 0.000 2.083 116 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 116 L C 2.575 179.803 176.870 0.598 0.000 1.083 116 L CA 1.121 56.192 54.840 0.385 0.000 0.752 116 L CB -0.393 41.828 42.059 0.270 0.000 0.899 116 L HN 0.282 nan 8.230 nan 0.000 0.433 117 Y N -0.470 120.021 120.300 0.318 0.000 2.243 117 Y HA -0.202 4.348 4.550 -0.000 0.000 0.293 117 Y C 1.816 177.474 175.900 -0.403 0.000 1.124 117 Y CA 1.305 59.230 58.100 -0.292 0.000 1.159 117 Y CB -0.107 37.830 38.460 -0.872 0.000 1.008 117 Y HN 0.052 nan 8.280 nan 0.000 0.527 118 Y N 0.039 120.476 120.300 0.228 0.000 2.470 118 Y HA 0.298 4.848 4.550 0.000 0.000 0.284 118 Y C 1.682 177.524 175.900 -0.097 0.000 1.188 118 Y CA 0.110 58.274 58.100 0.107 0.000 1.269 118 Y CB -0.022 38.585 38.460 0.246 0.000 1.094 118 Y HN 0.212 nan 8.280 nan 0.000 0.518 119 G N -0.181 108.542 108.800 -0.129 0.000 2.249 119 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.273 119 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.273 119 G C 1.130 175.723 174.900 -0.512 0.000 1.036 119 G CA 0.695 45.432 45.100 -0.605 0.000 0.824 119 G HN 0.378 nan 8.290 nan 0.000 0.504 120 S N -0.959 114.639 115.700 -0.170 0.000 2.507 120 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 120 S C 1.816 176.374 174.600 -0.071 0.000 0.988 120 S CA 1.586 59.764 58.200 -0.037 0.000 0.944 120 S CB -0.276 62.978 63.200 0.090 0.000 0.762 120 S HN 0.927 nan 8.310 nan 0.000 0.526 121 Y N 0.838 120.987 120.300 -0.251 0.000 2.503 121 Y HA 0.412 4.962 4.550 -0.000 0.000 0.278 121 Y C 0.358 176.040 175.900 -0.364 0.000 1.111 121 Y CA -0.741 57.095 58.100 -0.439 0.000 1.270 121 Y CB -0.531 37.135 38.460 -1.323 0.000 1.063 121 Y HN -0.091 nan 8.280 nan 0.000 0.548 122 K N 2.300 122.172 120.400 -0.880 0.000 2.412 122 K HA 0.362 4.682 4.320 -0.000 0.000 0.281 122 K C 0.537 176.943 176.600 -0.322 0.000 1.027 122 K CA 0.211 56.143 56.287 -0.593 0.000 0.989 122 K CB 0.706 32.834 32.500 -0.620 0.000 0.935 122 K HN 0.362 nan 8.250 nan 0.000 0.475 123 A N 4.891 127.558 122.820 -0.255 0.000 2.642 123 A HA -0.063 4.257 4.320 -0.000 0.000 0.228 123 A C -0.938 176.579 177.584 -0.111 0.000 1.045 123 A CA -0.444 51.501 52.037 -0.154 0.000 0.760 123 A CB -0.266 18.655 19.000 -0.131 0.000 0.958 123 A HN 0.669 nan 8.150 nan 0.000 0.505 124 P HA 0.008 nan 4.420 nan 0.000 0.249 124 P C 0.305 177.598 177.300 -0.011 0.000 1.229 124 P CA 0.415 63.494 63.100 -0.034 0.000 0.788 124 P CB 0.077 31.769 31.700 -0.013 0.000 1.072 125 R N 0.641 121.134 120.500 -0.013 0.000 2.849 125 R HA 0.085 4.425 4.340 -0.000 0.000 0.238 125 R C 1.245 177.597 176.300 0.086 0.000 1.403 125 R CA 0.166 56.297 56.100 0.051 0.000 1.303 125 R CB -0.584 29.754 30.300 0.063 0.000 1.191 125 R HN 0.313 nan 8.270 nan 0.000 0.533 126 E N 0.002 120.219 120.200 0.029 0.000 2.152 126 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 126 E C 1.501 178.223 176.600 0.203 0.000 0.983 126 E CA 0.907 57.330 56.400 0.038 0.000 0.818 126 E CB 0.202 29.840 29.700 -0.104 0.000 0.758 126 E HN 0.133 nan 8.360 nan 0.000 0.467 127 V N 0.756 120.771 119.914 0.169 0.000 2.407 127 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 127 V C 2.178 178.404 176.094 0.220 0.000 1.041 127 V CA 1.886 64.292 62.300 0.177 0.000 1.040 127 V CB -0.668 31.206 31.823 0.085 0.000 0.671 127 V HN 0.297 nan 8.190 nan 0.000 0.455 128 T N -0.421 114.276 114.554 0.238 0.000 2.653 128 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 128 T C 1.532 176.470 174.700 0.396 0.000 1.035 128 T CA 2.200 64.504 62.100 0.340 0.000 1.154 128 T CB -0.416 68.639 68.868 0.311 0.000 0.862 128 T HN 0.687 nan 8.240 nan 0.000 0.441 129 W N 1.456 122.862 121.300 0.177 0.000 2.332 129 W HA -0.144 4.516 4.660 -0.000 0.000 0.321 129 W C 2.040 178.635 176.519 0.126 0.000 1.219 129 W CA 1.159 58.588 57.345 0.140 0.000 1.277 129 W CB -0.591 28.939 29.460 0.117 0.000 1.161 129 W HN 0.247 nan 8.180 nan 0.000 0.476 130 I N 0.322 121.025 120.570 0.222 0.000 2.208 130 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 130 I C 2.324 178.447 176.117 0.009 0.000 1.097 130 I CA 1.331 62.701 61.300 0.116 0.000 1.363 130 I CB -0.955 37.190 38.000 0.242 0.000 1.051 130 I HN -0.217 nan 8.210 nan 0.000 0.413 131 V N 0.867 120.816 119.914 0.058 0.000 2.343 131 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 131 V C 2.544 178.577 176.094 -0.101 0.000 1.051 131 V CA 2.157 64.477 62.300 0.033 0.000 1.036 131 V CB -1.252 30.649 31.823 0.129 0.000 0.654 131 V HN 0.583 nan 8.190 nan 0.000 0.451 132 G N -0.999 107.676 108.800 -0.209 0.000 2.432 132 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 132 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 132 G C 1.529 176.223 174.900 -0.344 0.000 1.135 132 G CA 1.117 45.943 45.100 -0.456 0.000 0.767 132 G HN 0.399 nan 8.290 nan 0.000 0.550 133 M N 0.163 119.553 119.600 -0.350 0.000 2.175 133 M HA 0.243 4.723 4.480 -0.000 0.000 0.264 133 M C 2.302 178.556 176.300 -0.077 0.000 1.063 133 M CA 0.936 56.084 55.300 -0.253 0.000 1.119 133 M CB -0.410 32.026 32.600 -0.273 0.000 1.377 133 M HN 0.169 nan 8.290 nan 0.000 0.415 134 L N -1.118 120.060 121.223 -0.075 0.000 2.056 134 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 134 L C 2.251 179.088 176.870 -0.055 0.000 1.078 134 L CA 1.063 55.878 54.840 -0.041 0.000 0.749 134 L CB -0.577 41.469 42.059 -0.021 0.000 0.901 134 L HN 0.262 nan 8.230 nan 0.000 0.433 135 I N -1.341 119.180 120.570 -0.081 0.000 2.208 135 I HA -0.361 3.809 4.170 -0.000 0.000 0.245 135 I C 2.510 178.568 176.117 -0.098 0.000 1.097 135 I CA 1.404 62.647 61.300 -0.095 0.000 1.363 135 I CB -0.323 37.592 38.000 -0.141 0.000 1.051 135 I HN 0.211 nan 8.210 nan 0.000 0.413 136 Y N 0.897 121.072 120.300 -0.209 0.000 2.181 136 Y HA -0.250 4.300 4.550 -0.000 0.000 0.288 136 Y C 2.223 178.053 175.900 -0.116 0.000 1.146 136 Y CA 1.378 59.364 58.100 -0.190 0.000 1.164 136 Y CB -0.285 38.067 38.460 -0.181 0.000 0.982 136 Y HN 0.029 nan 8.280 nan 0.000 0.515 137 L N 0.175 121.287 121.223 -0.184 0.000 2.017 137 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 137 L C 2.577 179.342 176.870 -0.176 0.000 1.073 137 L CA 2.096 56.808 54.840 -0.214 0.000 0.745 137 L CB -1.399 40.612 42.059 -0.081 0.000 0.894 137 L HN 0.272 nan 8.230 nan 0.000 0.432 138 A N -1.317 121.428 122.820 -0.125 0.000 1.930 138 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 138 A C 2.293 179.807 177.584 -0.116 0.000 1.175 138 A CA 1.881 53.864 52.037 -0.090 0.000 0.627 138 A CB -0.494 18.465 19.000 -0.069 0.000 0.815 138 A HN 0.453 nan 8.150 nan 0.000 0.443 139 M N -0.978 118.496 119.600 -0.210 0.000 2.080 139 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 139 M C 2.386 178.648 176.300 -0.063 0.000 1.068 139 M CA 2.012 57.132 55.300 -0.300 0.000 1.109 139 M CB -0.496 31.738 32.600 -0.611 0.000 1.342 139 M HN 0.468 nan 8.290 nan 0.000 0.405 140 M N -0.559 119.029 119.600 -0.021 0.000 2.099 140 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 140 M C 2.533 178.964 176.300 0.219 0.000 1.067 140 M CA 1.602 57.019 55.300 0.195 0.000 1.124 140 M CB -0.789 31.767 32.600 -0.075 0.000 1.353 140 M HN 0.341 nan 8.290 nan 0.000 0.410 141 A N 0.536 123.406 122.820 0.083 0.000 1.903 141 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 141 A C 2.257 179.951 177.584 0.184 0.000 1.191 141 A CA 2.626 54.748 52.037 0.141 0.000 0.638 141 A CB -1.346 17.688 19.000 0.056 0.000 0.823 141 A HN 0.507 nan 8.150 nan 0.000 0.451 142 T N 0.083 114.710 114.554 0.122 0.000 2.639 142 T HA 0.017 4.367 4.350 -0.000 0.000 0.261 142 T C 2.269 177.117 174.700 0.246 0.000 1.053 142 T CA 1.827 64.024 62.100 0.161 0.000 1.158 142 T CB -0.674 68.228 68.868 0.057 0.000 0.863 142 T HN 0.678 nan 8.240 nan 0.000 0.413 143 A N 1.023 123.980 122.820 0.229 0.000 2.042 143 A HA -0.138 4.182 4.320 -0.000 0.000 0.222 143 A C 1.972 179.739 177.584 0.304 0.000 1.167 143 A CA 1.752 53.932 52.037 0.239 0.000 0.649 143 A CB -0.919 18.224 19.000 0.238 0.000 0.809 143 A HN 0.534 nan 8.150 nan 0.000 0.457 144 F N -0.050 120.051 119.950 0.250 0.000 2.094 144 F HA -0.007 4.520 4.527 -0.000 0.000 0.291 144 F C 2.207 178.088 175.800 0.135 0.000 1.109 144 F CA 1.709 59.867 58.000 0.264 0.000 1.221 144 F CB -0.643 38.490 39.000 0.221 0.000 1.014 144 F HN 0.148 nan 8.300 nan 0.000 0.473 145 M N 0.575 119.812 119.600 -0.604 0.000 2.202 145 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 145 M C 2.401 178.423 176.300 -0.464 0.000 1.063 145 M CA 1.664 56.529 55.300 -0.725 0.000 1.097 145 M CB -1.378 30.904 32.600 -0.530 0.000 1.382 145 M HN 0.409 nan 8.290 nan 0.000 0.413 146 G N -0.468 107.978 108.800 -0.590 0.000 2.480 146 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 146 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 146 G C 1.269 176.037 174.900 -0.221 0.000 1.200 146 G CA 0.725 45.318 45.100 -0.845 0.000 0.782 146 G HN 0.404 nan 8.290 nan 0.000 0.554 147 Y N 1.115 121.319 120.300 -0.160 0.000 2.365 147 Y HA -0.118 4.432 4.550 -0.000 0.000 0.287 147 Y C 2.830 178.728 175.900 -0.004 0.000 1.162 147 Y CA 1.013 59.093 58.100 -0.034 0.000 1.260 147 Y CB -0.092 38.393 38.460 0.042 0.000 0.976 147 Y HN 0.048 nan 8.280 nan 0.000 0.548 148 V N -0.297 119.618 119.914 0.002 0.000 2.548 148 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 148 V C 2.360 178.581 176.094 0.212 0.000 1.055 148 V CA 1.520 63.871 62.300 0.084 0.000 1.065 148 V CB -0.616 31.321 31.823 0.189 0.000 0.681 148 V HN 0.386 nan 8.190 nan 0.000 0.462 149 L N 0.020 121.303 121.223 0.100 0.000 2.043 149 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 149 L C 0.004 177.016 176.870 0.237 0.000 1.075 149 L CA 1.896 56.800 54.840 0.106 0.000 0.752 149 L CB -2.004 39.903 42.059 -0.254 0.000 0.891 149 L HN 0.356 nan 8.230 nan 0.000 0.432 150 P HA -0.222 nan 4.420 nan 0.000 0.222 150 P C 0.181 177.786 177.300 0.508 0.000 1.147 150 P CA 0.918 64.166 63.100 0.247 0.000 0.790 150 P CB -0.034 31.708 31.700 0.069 0.000 0.780 151 W N -0.683 120.687 121.300 0.118 0.000 5.324 151 W HA -0.151 4.509 4.660 -0.000 0.000 0.404 151 W C 0.034 176.583 176.519 0.051 0.000 1.566 151 W CA 0.091 57.490 57.345 0.091 0.000 0.927 151 W CB -1.372 28.153 29.460 0.108 0.000 2.757 151 W HN -0.061 nan 8.180 nan 0.000 1.382 152 G N 0.569 109.366 108.800 -0.005 0.000 2.642 152 G HA2 0.259 4.219 3.960 -0.000 0.000 0.291 152 G HA3 0.259 4.219 3.960 -0.000 0.000 0.291 152 G C 0.536 175.301 174.900 -0.224 0.000 1.345 152 G CA 0.012 45.042 45.100 -0.115 0.000 1.043 152 G HN 0.174 nan 8.290 nan 0.000 0.528 153 Q N -0.868 118.852 119.800 -0.134 0.000 2.050 153 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 153 Q C 2.763 178.809 176.000 0.078 0.000 0.980 153 Q CA 1.242 57.043 55.803 -0.004 0.000 0.840 153 Q CB -0.279 28.496 28.738 0.062 0.000 0.898 153 Q HN 0.453 nan 8.270 nan 0.000 0.424 154 M N 0.150 119.739 119.600 -0.019 0.000 2.159 154 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 154 M C 2.209 178.526 176.300 0.028 0.000 1.063 154 M CA 1.106 56.434 55.300 0.046 0.000 1.110 154 M CB -1.206 31.456 32.600 0.103 0.000 1.374 154 M HN 0.016 nan 8.290 nan 0.000 0.411 155 S N 0.833 116.416 115.700 -0.196 0.000 2.353 155 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 155 S C 1.760 176.249 174.600 -0.185 0.000 1.035 155 S CA 1.438 59.520 58.200 -0.197 0.000 1.025 155 S CB -0.628 62.439 63.200 -0.221 0.000 0.902 155 S HN 0.419 nan 8.310 nan 0.000 0.440 156 F N 0.832 120.417 119.950 -0.609 0.000 2.075 156 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 156 F C 1.883 177.287 175.800 -0.660 0.000 1.113 156 F CA 1.314 58.767 58.000 -0.913 0.000 1.218 156 F CB -0.555 37.684 39.000 -1.268 0.000 0.984 156 F HN 0.240 nan 8.300 nan 0.000 0.472 157 W N 0.094 121.311 121.300 -0.138 0.000 2.418 157 W HA 0.052 4.712 4.660 -0.000 0.000 0.292 157 W C 2.687 179.155 176.519 -0.086 0.000 1.213 157 W CA 1.039 58.290 57.345 -0.156 0.000 1.283 157 W CB -1.189 28.247 29.460 -0.041 0.000 1.119 157 W HN 0.103 nan 8.180 nan 0.000 0.542 158 G N 0.432 109.357 108.800 0.207 0.000 2.422 158 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 158 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 158 G C 1.657 176.744 174.900 0.311 0.000 1.146 158 G CA 1.288 46.541 45.100 0.254 0.000 0.769 158 G HN 0.296 nan 8.290 nan 0.000 0.547 159 A N 0.330 123.298 122.820 0.246 0.000 1.902 159 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 159 A C 2.534 180.182 177.584 0.107 0.000 1.181 159 A CA 2.431 54.659 52.037 0.317 0.000 0.623 159 A CB -0.903 18.112 19.000 0.025 0.000 0.818 159 A HN 0.295 nan 8.150 nan 0.000 0.443 160 T N -0.513 113.942 114.554 -0.164 0.000 2.708 160 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 160 T C 1.882 176.603 174.700 0.035 0.000 1.037 160 T CA 1.640 63.649 62.100 -0.151 0.000 1.146 160 T CB -0.408 68.336 68.868 -0.206 0.000 0.865 160 T HN 0.140 nan 8.240 nan 0.000 0.435 161 V N 0.838 120.800 119.914 0.080 0.000 2.358 161 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 161 V C 2.326 178.433 176.094 0.021 0.000 1.047 161 V CA 1.326 63.665 62.300 0.065 0.000 1.035 161 V CB -0.476 31.390 31.823 0.073 0.000 0.658 161 V HN 0.381 nan 8.190 nan 0.000 0.452 162 I N 0.793 121.354 120.570 -0.014 0.000 2.315 162 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 162 I C 2.588 178.777 176.117 0.120 0.000 1.117 162 I CA 1.934 63.148 61.300 -0.143 0.000 1.404 162 I CB -0.624 36.950 38.000 -0.709 0.000 1.071 162 I HN 0.456 nan 8.210 nan 0.000 0.419 163 T N -1.964 112.743 114.554 0.254 0.000 3.007 163 T HA -0.028 4.322 4.350 -0.000 0.000 0.270 163 T C 1.966 176.855 174.700 0.315 0.000 1.107 163 T CA 0.855 63.185 62.100 0.383 0.000 1.118 163 T CB -0.876 68.169 68.868 0.295 0.000 0.889 163 T HN 0.415 nan 8.240 nan 0.000 0.506 164 G N 1.525 110.421 108.800 0.160 0.000 2.464 164 G HA2 0.067 4.027 3.960 -0.000 0.000 0.217 164 G HA3 0.067 4.027 3.960 -0.000 0.000 0.217 164 G C 1.413 176.336 174.900 0.038 0.000 1.138 164 G CA 0.133 45.288 45.100 0.092 0.000 0.793 164 G HN 0.522 nan 8.290 nan 0.000 0.539 165 L N -0.540 120.652 121.223 -0.051 0.000 2.187 165 L HA -0.051 4.289 4.340 -0.000 0.000 0.213 165 L C 2.331 179.005 176.870 -0.327 0.000 1.100 165 L CA 0.784 55.503 54.840 -0.201 0.000 0.765 165 L CB -0.398 41.457 42.059 -0.340 0.000 0.904 165 L HN 0.158 nan 8.230 nan 0.000 0.437 166 F N -0.564 119.450 119.950 0.106 0.000 2.615 166 F HA 0.074 4.601 4.527 -0.000 0.000 0.297 166 F C 2.383 178.215 175.800 0.054 0.000 1.124 166 F CA 0.702 58.754 58.000 0.086 0.000 1.451 166 F CB -0.742 38.319 39.000 0.102 0.000 1.103 166 F HN -0.039 nan 8.300 nan 0.000 0.569 167 G N -0.224 108.653 108.800 0.127 0.000 2.448 167 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 167 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 167 G C 1.874 176.780 174.900 0.010 0.000 1.135 167 G CA 0.691 45.829 45.100 0.063 0.000 0.784 167 G HN 0.385 nan 8.290 nan 0.000 0.543 168 A N 0.445 123.268 122.820 0.005 0.000 2.015 168 A HA 0.224 4.544 4.320 -0.000 0.000 0.219 168 A C 1.184 178.631 177.584 -0.228 0.000 1.163 168 A CA 0.074 52.107 52.037 -0.008 0.000 0.646 168 A CB -0.266 18.817 19.000 0.138 0.000 0.806 168 A HN 0.333 nan 8.150 nan 0.000 0.448 169 I N 1.481 121.932 120.570 -0.198 0.000 2.742 169 I HA 0.046 4.216 4.170 -0.000 0.000 0.287 169 I C -2.209 173.676 176.117 -0.386 0.000 1.186 169 I CA -1.352 59.725 61.300 -0.372 0.000 1.417 169 I CB 0.389 38.323 38.000 -0.109 0.000 1.377 169 I HN 0.062 nan 8.210 nan 0.000 0.556 170 P HA 0.029 nan 4.420 nan 0.000 0.265 170 P C 0.928 178.123 177.300 -0.175 0.000 1.193 170 P CA 0.920 63.814 63.100 -0.343 0.000 0.765 170 P CB 0.781 32.266 31.700 -0.358 0.000 0.823 171 G N 4.018 112.758 108.800 -0.101 0.000 5.206 171 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.328 171 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.328 171 G C 1.153 176.032 174.900 -0.036 0.000 1.382 171 G CA 0.601 45.666 45.100 -0.059 0.000 0.994 171 G HN 0.602 nan 8.290 nan 0.000 0.800 172 I N 0.112 120.654 120.570 -0.046 0.000 2.226 172 I HA 0.164 4.334 4.170 -0.000 0.000 0.245 172 I C 2.710 178.839 176.117 0.021 0.000 1.100 172 I CA 2.197 63.481 61.300 -0.027 0.000 1.374 172 I CB -1.270 36.702 38.000 -0.047 0.000 1.057 172 I HN 0.634 nan 8.210 nan 0.000 0.413 173 G N 1.245 110.053 108.800 0.014 0.000 2.661 173 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.224 173 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.224 173 G C 1.680 176.664 174.900 0.140 0.000 1.114 173 G CA 1.726 46.867 45.100 0.067 0.000 0.751 173 G HN 0.633 nan 8.290 nan 0.000 0.609 174 H N 0.726 119.811 119.070 0.024 0.000 2.423 174 H HA 0.061 4.617 4.556 -0.000 0.000 0.297 174 H C 2.614 177.978 175.328 0.061 0.000 1.075 174 H CA 1.622 57.695 56.048 0.043 0.000 1.342 174 H CB -0.092 29.683 29.762 0.022 0.000 1.395 174 H HN 0.346 nan 8.280 nan 0.000 0.530 175 S N 0.460 116.297 115.700 0.228 0.000 2.348 175 S HA -0.029 4.441 4.470 -0.000 0.000 0.219 175 S C 2.364 177.064 174.600 0.167 0.000 1.033 175 S CA 0.658 58.949 58.200 0.152 0.000 0.974 175 S CB 0.071 63.290 63.200 0.032 0.000 0.868 175 S HN 0.280 nan 8.310 nan 0.000 0.459 176 I N 2.281 122.923 120.570 0.119 0.000 2.236 176 I HA -0.255 3.915 4.170 -0.000 0.000 0.249 176 I C 2.552 178.845 176.117 0.292 0.000 1.102 176 I CA 1.567 62.954 61.300 0.145 0.000 1.365 176 I CB -1.419 36.669 38.000 0.146 0.000 1.051 176 I HN 0.429 nan 8.210 nan 0.000 0.420 177 Q N 0.406 120.362 119.800 0.261 0.000 2.016 177 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 177 Q C 2.231 178.361 176.000 0.216 0.000 0.978 177 Q CA 2.195 58.143 55.803 0.241 0.000 0.833 177 Q CB 0.044 28.884 28.738 0.170 0.000 0.895 177 Q HN 0.415 nan 8.270 nan 0.000 0.427 178 T N 0.144 114.832 114.554 0.223 0.000 2.737 178 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 178 T C 0.891 175.725 174.700 0.223 0.000 1.040 178 T CA 1.535 63.754 62.100 0.199 0.000 1.142 178 T CB -0.429 68.571 68.868 0.220 0.000 0.861 178 T HN 0.542 nan 8.240 nan 0.000 0.456 179 W N 1.429 122.758 121.300 0.049 0.000 2.379 179 W HA -0.010 4.650 4.660 -0.000 0.000 0.307 179 W C 1.772 178.309 176.519 0.029 0.000 1.200 179 W CA 0.786 58.149 57.345 0.029 0.000 1.297 179 W CB -0.546 28.923 29.460 0.015 0.000 1.140 179 W HN 0.151 nan 8.180 nan 0.000 0.507 180 L N 0.285 121.598 121.223 0.150 0.000 2.012 180 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 180 L C 2.458 179.288 176.870 -0.067 0.000 1.073 180 L CA 1.447 56.240 54.840 -0.077 0.000 0.748 180 L CB -1.028 41.087 42.059 0.094 0.000 0.891 180 L HN 0.074 nan 8.230 nan 0.000 0.431 181 L N -0.491 120.733 121.223 0.002 0.000 2.376 181 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 181 L C 1.619 178.443 176.870 -0.078 0.000 1.133 181 L CA 0.635 55.448 54.840 -0.045 0.000 0.816 181 L CB -0.770 41.289 42.059 0.001 0.000 0.933 181 L HN 0.538 nan 8.230 nan 0.000 0.449 182 G N 0.083 108.841 108.800 -0.070 0.000 2.187 182 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.261 182 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.261 182 G C 0.431 175.317 174.900 -0.023 0.000 1.000 182 G CA 0.316 45.376 45.100 -0.067 0.000 0.718 182 G HN 0.691 nan 8.290 nan 0.000 0.519 183 G N -1.700 107.103 108.800 0.004 0.000 2.427 183 G HA2 0.708 4.668 3.960 -0.000 0.000 0.306 183 G HA3 0.708 4.668 3.960 -0.000 0.000 0.306 183 G C -2.430 172.493 174.900 0.039 0.000 1.280 183 G CA 0.317 45.428 45.100 0.018 0.000 0.837 183 G HN 0.309 nan 8.290 nan 0.000 0.482 184 P HA 0.467 nan 4.420 nan 0.000 0.261 184 P C 0.051 177.371 177.300 0.034 0.000 1.352 184 P CA 0.916 64.045 63.100 0.048 0.000 0.891 184 P CB 0.813 32.544 31.700 0.052 0.000 1.383 185 A N -1.072 121.761 122.820 0.022 0.000 2.567 185 A HA 0.387 4.707 4.320 -0.000 0.000 0.291 185 A C -1.226 176.351 177.584 -0.011 0.000 1.048 185 A CA -0.529 51.514 52.037 0.010 0.000 0.661 185 A CB 0.807 19.834 19.000 0.044 0.000 1.288 185 A HN -0.198 nan 8.150 nan 0.000 0.424 186 V N 2.059 121.928 119.914 -0.075 0.000 2.446 186 V HA 0.405 4.525 4.120 -0.000 0.000 0.276 186 V C 0.169 176.357 176.094 0.155 0.000 1.030 186 V CA 1.326 63.569 62.300 -0.094 0.000 1.033 186 V CB 0.351 31.921 31.823 -0.422 0.000 0.993 186 V HN 1.013 nan 8.190 nan 0.000 0.477 187 D N 3.269 123.752 120.400 0.139 0.000 2.895 187 D HA 0.223 4.863 4.640 -0.000 0.000 0.320 187 D C 1.016 177.293 176.300 -0.040 0.000 1.249 187 D CA -0.572 53.527 54.000 0.165 0.000 0.997 187 D CB 0.952 41.787 40.800 0.059 0.000 1.430 187 D HN 0.205 nan 8.370 nan 0.000 0.558 188 N N -0.282 118.305 118.700 -0.188 0.000 2.037 188 N HA -0.210 4.530 4.740 -0.000 0.000 0.196 188 N C 1.621 176.957 175.510 -0.290 0.000 1.034 188 N CA 2.590 55.413 53.050 -0.379 0.000 0.861 188 N CB -0.377 37.846 38.487 -0.439 0.000 1.039 188 N HN 0.388 nan 8.380 nan 0.000 0.427 189 A N -1.145 121.559 122.820 -0.193 0.000 2.084 189 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 189 A C 2.186 179.657 177.584 -0.188 0.000 1.161 189 A CA 2.225 54.168 52.037 -0.156 0.000 0.653 189 A CB -1.039 17.894 19.000 -0.111 0.000 0.802 189 A HN 0.507 nan 8.150 nan 0.000 0.457 190 T N -0.313 114.094 114.554 -0.244 0.000 2.781 190 T HA -0.042 4.308 4.350 -0.000 0.000 0.252 190 T C 1.840 176.233 174.700 -0.512 0.000 1.039 190 T CA 1.122 62.971 62.100 -0.418 0.000 1.147 190 T CB -0.509 68.109 68.868 -0.417 0.000 0.865 190 T HN 0.346 nan 8.240 nan 0.000 0.423 191 L N 2.107 123.089 121.223 -0.402 0.000 2.021 191 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 191 L C 1.978 178.795 176.870 -0.087 0.000 1.074 191 L CA 1.998 56.658 54.840 -0.300 0.000 0.760 191 L CB -1.098 40.566 42.059 -0.657 0.000 0.889 191 L HN 0.294 nan 8.230 nan 0.000 0.433 192 N N -0.777 117.845 118.700 -0.129 0.000 2.104 192 N HA -0.259 4.481 4.740 -0.000 0.000 0.190 192 N C 1.975 177.562 175.510 0.129 0.000 1.024 192 N CA 1.463 54.517 53.050 0.006 0.000 0.853 192 N CB -0.157 38.293 38.487 -0.062 0.000 1.008 192 N HN 0.533 nan 8.380 nan 0.000 0.424 193 R N -0.837 119.705 120.500 0.069 0.000 2.189 193 R HA -0.045 4.295 4.340 -0.000 0.000 0.218 193 R C 1.174 177.652 176.300 0.296 0.000 1.074 193 R CA 0.789 56.966 56.100 0.128 0.000 0.991 193 R CB -0.397 29.926 30.300 0.039 0.000 0.883 193 R HN 0.182 nan 8.270 nan 0.000 0.457 194 F N 0.732 120.705 119.950 0.039 0.000 2.206 194 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 194 F C 1.982 177.848 175.800 0.110 0.000 1.090 194 F CA -0.229 57.791 58.000 0.034 0.000 1.323 194 F CB -0.781 38.214 39.000 -0.007 0.000 1.028 194 F HN -0.062 nan 8.300 nan 0.000 0.492 195 F N 0.374 120.472 119.950 0.246 0.000 2.075 195 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 195 F C 2.769 178.706 175.800 0.227 0.000 1.113 195 F CA 1.827 59.958 58.000 0.219 0.000 1.218 195 F CB -1.054 38.085 39.000 0.232 0.000 0.984 195 F HN -0.083 nan 8.300 nan 0.000 0.472 196 S N 0.100 115.845 115.700 0.075 0.000 2.400 196 S HA -0.176 4.294 4.470 -0.000 0.000 0.232 196 S C 2.098 176.682 174.600 -0.026 0.000 1.025 196 S CA 1.685 59.864 58.200 -0.035 0.000 0.993 196 S CB -0.525 62.712 63.200 0.062 0.000 0.808 196 S HN 0.455 nan 8.310 nan 0.000 0.478 197 L N -0.185 121.050 121.223 0.020 0.000 2.162 197 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 197 L C 2.472 179.336 176.870 -0.011 0.000 1.086 197 L CA 1.223 56.062 54.840 -0.001 0.000 0.778 197 L CB -0.587 41.456 42.059 -0.026 0.000 0.928 197 L HN 0.375 nan 8.230 nan 0.000 0.446 198 H N -0.844 118.159 119.070 -0.112 0.000 2.422 198 H HA -0.254 4.302 4.556 -0.000 0.000 0.298 198 H C 1.995 177.225 175.328 -0.164 0.000 1.098 198 H CA 1.798 57.765 56.048 -0.135 0.000 1.315 198 H CB -0.024 29.667 29.762 -0.119 0.000 1.382 198 H HN 0.243 nan 8.280 nan 0.000 0.523 199 Y N -0.097 119.992 120.300 -0.351 0.000 2.153 199 Y HA -0.114 4.436 4.550 -0.000 0.000 0.289 199 Y C 2.399 178.142 175.900 -0.262 0.000 1.127 199 Y CA 1.404 59.276 58.100 -0.380 0.000 1.131 199 Y CB -0.878 37.357 38.460 -0.374 0.000 0.995 199 Y HN 0.332 nan 8.280 nan 0.000 0.505 200 L N 0.038 121.344 121.223 0.139 0.000 2.012 200 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 200 L C 2.218 179.121 176.870 0.056 0.000 1.073 200 L CA 1.708 56.639 54.840 0.151 0.000 0.748 200 L CB -1.133 40.971 42.059 0.075 0.000 0.891 200 L HN 0.314 nan 8.230 nan 0.000 0.431 201 L N -0.435 120.760 121.223 -0.046 0.000 2.013 201 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 201 L C 0.065 176.861 176.870 -0.124 0.000 1.073 201 L CA 1.900 56.699 54.840 -0.067 0.000 0.753 201 L CB -1.910 40.106 42.059 -0.071 0.000 0.890 201 L HN 0.280 nan 8.230 nan 0.000 0.432 202 P HA -0.180 nan 4.420 nan 0.000 0.216 202 P C 1.434 178.564 177.300 -0.284 0.000 1.150 202 P CA 1.430 64.333 63.100 -0.328 0.000 0.837 202 P CB -0.041 31.356 31.700 -0.505 0.000 0.786 203 F N -1.239 118.705 119.950 -0.009 0.000 2.216 203 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 203 F C 2.272 178.075 175.800 0.005 0.000 1.085 203 F CA 0.847 58.849 58.000 0.004 0.000 1.326 203 F CB -1.628 37.380 39.000 0.014 0.000 1.027 203 F HN -0.230 nan 8.300 nan 0.000 0.497 204 V N 0.217 120.216 119.914 0.142 0.000 2.307 204 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 204 V C 2.411 178.541 176.094 0.060 0.000 1.045 204 V CA 1.522 63.876 62.300 0.090 0.000 1.024 204 V CB -0.600 31.256 31.823 0.055 0.000 0.651 204 V HN 0.250 nan 8.190 nan 0.000 0.449 205 I N 0.682 121.265 120.570 0.021 0.000 2.151 205 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 205 I C 2.762 178.911 176.117 0.053 0.000 1.080 205 I CA 1.700 63.010 61.300 0.017 0.000 1.339 205 I CB -0.729 37.269 38.000 -0.005 0.000 1.039 205 I HN 0.321 nan 8.210 nan 0.000 0.409 206 A N 0.902 123.758 122.820 0.059 0.000 1.903 206 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 206 A C 2.554 180.198 177.584 0.101 0.000 1.191 206 A CA 2.447 54.536 52.037 0.086 0.000 0.638 206 A CB -1.000 18.076 19.000 0.126 0.000 0.823 206 A HN 0.492 nan 8.150 nan 0.000 0.451 207 A N -0.464 122.419 122.820 0.106 0.000 1.877 207 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 207 A C 2.210 179.860 177.584 0.109 0.000 1.186 207 A CA 1.592 53.688 52.037 0.099 0.000 0.620 207 A CB -0.655 18.399 19.000 0.091 0.000 0.822 207 A HN 0.499 nan 8.150 nan 0.000 0.443 208 L N -0.343 120.939 121.223 0.098 0.000 2.017 208 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 208 L C 2.476 179.441 176.870 0.157 0.000 1.073 208 L CA 1.222 56.126 54.840 0.107 0.000 0.745 208 L CB -0.699 41.396 42.059 0.061 0.000 0.894 208 L HN 0.252 nan 8.230 nan 0.000 0.432 209 V N 0.208 120.213 119.914 0.151 0.000 2.546 209 V HA -0.323 3.797 4.120 -0.000 0.000 0.254 209 V C 2.730 178.964 176.094 0.234 0.000 1.076 209 V CA 1.684 64.118 62.300 0.224 0.000 1.087 209 V CB -1.170 30.759 31.823 0.177 0.000 0.674 209 V HN 0.490 nan 8.190 nan 0.000 0.470 210 A N 0.480 123.402 122.820 0.170 0.000 1.845 210 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 210 A C 2.173 179.884 177.584 0.211 0.000 1.195 210 A CA 2.014 54.136 52.037 0.141 0.000 0.616 210 A CB -0.544 18.519 19.000 0.104 0.000 0.832 210 A HN 0.479 nan 8.150 nan 0.000 0.443 211 I N -1.114 119.608 120.570 0.253 0.000 2.361 211 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 211 I C 2.517 178.790 176.117 0.261 0.000 1.133 211 I CA 1.766 63.249 61.300 0.305 0.000 1.413 211 I CB -0.561 37.578 38.000 0.233 0.000 1.073 211 I HN 0.557 nan 8.210 nan 0.000 0.424 212 H N 1.544 120.715 119.070 0.168 0.000 2.321 212 H HA -0.143 4.413 4.556 -0.000 0.000 0.300 212 H C 2.104 177.585 175.328 0.255 0.000 1.087 212 H CA 1.924 58.104 56.048 0.220 0.000 1.319 212 H CB -0.175 29.731 29.762 0.240 0.000 1.379 212 H HN 0.225 nan 8.280 nan 0.000 0.501 213 I N -1.038 119.601 120.570 0.114 0.000 2.202 213 I HA -0.256 3.913 4.170 -0.000 0.000 0.242 213 I C 2.253 178.073 176.117 -0.496 0.000 1.091 213 I CA 1.110 62.166 61.300 -0.407 0.000 1.368 213 I CB -0.465 37.471 38.000 -0.107 0.000 1.058 213 I HN 0.391 nan 8.210 nan 0.000 0.410 214 W N 2.288 123.419 121.300 -0.282 0.000 2.325 214 W HA -0.267 4.393 4.660 0.000 0.000 0.299 214 W C 2.468 178.904 176.519 -0.138 0.000 1.215 214 W CA 1.694 58.925 57.345 -0.190 0.000 1.244 214 W CB -0.657 28.752 29.460 -0.084 0.000 1.140 214 W HN 0.139 nan 8.180 nan 0.000 0.523 215 A N 0.518 123.299 122.820 -0.065 0.000 1.873 215 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 215 A C 1.988 179.571 177.584 -0.003 0.000 1.186 215 A CA 1.878 53.840 52.037 -0.125 0.000 0.616 215 A CB -1.702 17.289 19.000 -0.015 0.000 0.823 215 A HN 0.549 nan 8.150 nan 0.000 0.442 216 F N -2.204 117.760 119.950 0.024 0.000 2.661 216 F HA 0.133 4.660 4.527 -0.000 0.000 0.298 216 F C 1.816 177.624 175.800 0.014 0.000 1.137 216 F CA 0.899 58.897 58.000 -0.005 0.000 1.454 216 F CB -0.738 38.216 39.000 -0.077 0.000 1.103 216 F HN 0.300 nan 8.300 nan 0.000 0.577 217 H N 0.628 119.500 119.070 -0.328 0.000 2.415 217 H HA 0.041 4.597 4.556 -0.000 0.000 0.297 217 H C 1.473 176.826 175.328 0.043 0.000 1.048 217 H CA 1.523 57.488 56.048 -0.138 0.000 1.365 217 H CB 0.108 29.741 29.762 -0.215 0.000 1.421 217 H HN 0.391 nan 8.280 nan 0.000 0.533 218 S N -0.394 115.405 115.700 0.165 0.000 2.667 218 S HA 0.095 4.565 4.470 -0.000 0.000 0.251 218 S C 0.918 175.562 174.600 0.074 0.000 1.075 218 S CA 0.097 58.380 58.200 0.139 0.000 1.130 218 S CB 0.327 63.615 63.200 0.148 0.000 0.795 218 S HN 0.191 nan 8.310 nan 0.000 0.462 219 T N -0.112 114.490 114.554 0.080 0.000 3.177 219 T HA 0.463 4.813 4.350 -0.000 0.000 0.267 219 T C 0.442 175.182 174.700 0.067 0.000 0.858 219 T CA 0.654 62.793 62.100 0.065 0.000 0.846 219 T CB 0.204 69.114 68.868 0.070 0.000 1.256 219 T HN 1.311 nan 8.240 nan 0.000 0.601 220 G N 2.031 110.877 108.800 0.077 0.000 2.767 220 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 220 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 220 G C -0.599 174.340 174.900 0.066 0.000 1.213 220 G CA -0.486 44.647 45.100 0.054 0.000 0.803 220 G HN 0.509 nan 8.290 nan 0.000 0.603 221 N N -0.081 118.639 118.700 0.033 0.000 2.326 221 N HA 0.328 5.068 4.740 -0.000 0.000 0.239 221 N C 0.716 176.246 175.510 0.032 0.000 1.301 221 N CA 0.495 53.561 53.050 0.026 0.000 0.909 221 N CB 0.374 38.827 38.487 -0.057 0.000 1.156 221 N HN 0.752 nan 8.380 nan 0.000 0.462 222 N N -0.755 118.013 118.700 0.114 0.000 2.384 222 N HA 0.291 5.031 4.740 -0.000 0.000 0.301 222 N C -1.620 173.907 175.510 0.029 0.000 1.133 222 N CA -0.675 52.443 53.050 0.114 0.000 0.853 222 N CB 1.014 39.616 38.487 0.191 0.000 1.241 222 N HN 0.702 nan 8.380 nan 0.000 0.502 223 N N 0.435 119.068 118.700 -0.112 0.000 2.453 223 N HA 0.452 5.192 4.740 -0.000 0.000 0.290 223 N C -2.562 172.783 175.510 -0.274 0.000 1.250 223 N CA -1.628 51.154 53.050 -0.448 0.000 0.815 223 N CB 1.915 40.189 38.487 -0.356 0.000 1.381 223 N HN 0.198 nan 8.380 nan 0.000 0.510 224 P HA -0.048 nan 4.420 nan 0.000 0.234 224 P C 0.237 177.623 177.300 0.143 0.000 1.162 224 P CA 1.045 64.065 63.100 -0.132 0.000 0.759 224 P CB 0.150 31.758 31.700 -0.154 0.000 0.813 225 T N -2.979 111.626 114.554 0.087 0.000 3.023 225 T HA 0.234 4.584 4.350 -0.000 0.000 0.249 225 T C 1.621 176.464 174.700 0.238 0.000 1.050 225 T CA 0.826 63.057 62.100 0.218 0.000 1.088 225 T CB -0.196 68.769 68.868 0.162 0.000 0.946 225 T HN 0.184 nan 8.240 nan 0.000 0.480 226 G N 1.273 110.152 108.800 0.132 0.000 2.234 226 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 226 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 226 G C 0.298 175.231 174.900 0.054 0.000 0.987 226 G CA 0.208 45.363 45.100 0.091 0.000 0.625 226 G HN 0.532 nan 8.290 nan 0.000 0.532 227 V N 1.981 121.932 119.914 0.062 0.000 2.530 227 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 227 V C 0.404 176.501 176.094 0.005 0.000 1.048 227 V CA -0.579 61.737 62.300 0.027 0.000 0.997 227 V CB 1.640 33.479 31.823 0.027 0.000 0.987 227 V HN 0.288 nan 8.190 nan 0.000 0.477 228 E N 3.058 123.257 120.200 -0.002 0.000 2.259 228 E HA 0.245 4.595 4.350 -0.000 0.000 0.281 228 E C -0.289 176.308 176.600 -0.005 0.000 1.027 228 E CA -0.405 55.992 56.400 -0.005 0.000 0.838 228 E CB 1.625 31.322 29.700 -0.005 0.000 1.066 228 E HN 0.425 nan 8.360 nan 0.000 0.401 229 V N 4.127 124.037 119.914 -0.007 0.000 2.681 229 V HA -0.176 3.944 4.120 -0.000 0.000 0.306 229 V C 1.133 177.229 176.094 0.004 0.000 1.077 229 V CA 0.687 62.985 62.300 -0.003 0.000 1.224 229 V CB -0.231 31.593 31.823 0.001 0.000 0.879 229 V HN 0.482 nan 8.190 nan 0.000 0.494 230 R N 5.346 125.849 120.500 0.005 0.000 2.457 230 R HA 0.068 4.408 4.340 -0.000 0.000 0.335 230 R C 0.715 177.022 176.300 0.011 0.000 1.003 230 R CA -0.179 55.925 56.100 0.007 0.000 1.003 230 R CB 0.203 30.507 30.300 0.007 0.000 0.950 230 R HN 0.526 nan 8.270 nan 0.000 0.428 231 R N 1.883 122.389 120.500 0.010 0.000 2.449 231 R HA 0.004 4.344 4.340 -0.000 0.000 0.262 231 R C 0.878 177.184 176.300 0.010 0.000 1.006 231 R CA 0.279 56.386 56.100 0.011 0.000 1.104 231 R CB 0.092 30.398 30.300 0.010 0.000 1.206 231 R HN 0.624 nan 8.270 nan 0.000 0.538 232 T N -2.894 111.666 114.554 0.010 0.000 3.014 232 T HA 0.059 4.408 4.350 -0.000 0.000 0.250 232 T C 0.798 175.505 174.700 0.013 0.000 1.060 232 T CA 0.023 62.129 62.100 0.010 0.000 1.040 232 T CB 0.285 69.158 68.868 0.007 0.000 0.971 232 T HN 0.166 nan 8.240 nan 0.000 0.497 233 S N -0.206 115.504 115.700 0.017 0.000 2.563 233 S HA 0.414 4.884 4.470 -0.000 0.000 0.279 233 S C 0.137 174.755 174.600 0.029 0.000 1.155 233 S CA -1.063 57.150 58.200 0.021 0.000 0.928 233 S CB 1.896 65.107 63.200 0.018 0.000 1.107 233 S HN 0.088 nan 8.310 nan 0.000 0.462 234 K N 1.439 121.861 120.400 0.037 0.000 2.242 234 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 234 K C 2.121 178.749 176.600 0.045 0.000 1.045 234 K CA 1.749 58.066 56.287 0.051 0.000 0.930 234 K CB -0.492 32.045 32.500 0.062 0.000 0.726 234 K HN 0.730 nan 8.250 nan 0.000 0.462 235 A N 2.192 125.033 122.820 0.034 0.000 1.840 235 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 235 A C 2.004 179.602 177.584 0.024 0.000 1.198 235 A CA 1.522 53.576 52.037 0.028 0.000 0.608 235 A CB -0.367 18.647 19.000 0.023 0.000 0.839 235 A HN 0.502 nan 8.150 nan 0.000 0.443 236 E N -0.210 120.002 120.200 0.021 0.000 2.427 236 E HA 0.212 4.562 4.350 -0.000 0.000 0.196 236 E C 1.715 178.326 176.600 0.019 0.000 1.028 236 E CA 0.680 57.091 56.400 0.017 0.000 0.864 236 E CB -0.173 29.535 29.700 0.013 0.000 0.813 236 E HN 0.457 nan 8.360 nan 0.000 0.514 237 A N 1.661 124.496 122.820 0.026 0.000 1.898 237 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 237 A C 2.258 179.860 177.584 0.029 0.000 1.183 237 A CA 1.385 53.440 52.037 0.030 0.000 0.622 237 A CB -0.421 18.604 19.000 0.042 0.000 0.824 237 A HN 0.253 nan 8.150 nan 0.000 0.444 238 Q N 0.195 120.015 119.800 0.033 0.000 2.226 238 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 238 Q C 1.726 177.732 176.000 0.010 0.000 0.975 238 Q CA 1.694 57.512 55.803 0.025 0.000 0.866 238 Q CB -0.172 28.584 28.738 0.031 0.000 0.915 238 Q HN 0.467 nan 8.270 nan 0.000 0.440 239 K N 0.346 120.755 120.400 0.016 0.000 2.097 239 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 239 K C 1.276 177.890 176.600 0.024 0.000 1.050 239 K CA 1.400 57.699 56.287 0.020 0.000 0.938 239 K CB -0.052 32.460 32.500 0.020 0.000 0.718 239 K HN 0.393 nan 8.250 nan 0.000 0.442 240 D N 0.229 120.634 120.400 0.009 0.000 2.271 240 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 240 D C 1.388 177.658 176.300 -0.050 0.000 0.967 240 D CA 0.678 54.673 54.000 -0.009 0.000 0.867 240 D CB 0.292 41.087 40.800 -0.007 0.000 0.960 240 D HN 0.333 nan 8.370 nan 0.000 0.509 241 T N -2.210 112.322 114.554 -0.037 0.000 2.864 241 T HA 0.621 4.971 4.350 -0.000 0.000 0.276 241 T C -0.185 174.452 174.700 -0.104 0.000 1.006 241 T CA -0.757 61.316 62.100 -0.045 0.000 0.970 241 T CB 2.090 70.970 68.868 0.020 0.000 1.420 241 T HN -0.169 nan 8.240 nan 0.000 0.601 242 V N 1.250 121.116 119.914 -0.079 0.000 2.971 242 V HA 0.456 4.576 4.120 -0.000 0.000 0.281 242 V C -2.917 173.199 176.094 0.036 0.000 1.470 242 V CA -1.745 60.438 62.300 -0.194 0.000 0.966 242 V CB 2.665 34.183 31.823 -0.507 0.000 1.156 242 V HN 0.885 nan 8.190 nan 0.000 0.441 243 P HA 0.173 nan 4.420 nan 0.000 0.268 243 P C 0.389 177.897 177.300 0.348 0.000 1.204 243 P CA 0.063 63.311 63.100 0.247 0.000 0.768 243 P CB 0.355 32.181 31.700 0.211 0.000 0.842 244 F N 3.886 123.986 119.950 0.250 0.000 2.043 244 F HA -0.117 4.410 4.527 0.000 0.000 0.297 244 F C 0.552 176.534 175.800 0.305 0.000 1.118 244 F CA 1.009 59.218 58.000 0.348 0.000 1.202 244 F CB -0.526 38.667 39.000 0.321 0.000 0.965 244 F HN 0.323 nan 8.300 nan 0.000 0.482 245 W N 3.743 124.949 121.300 -0.157 0.000 2.338 245 W HA 0.271 4.930 4.660 -0.000 0.000 0.307 245 W C -2.247 174.132 176.519 -0.233 0.000 1.167 245 W CA -1.848 55.307 57.345 -0.317 0.000 1.208 245 W CB 1.113 30.439 29.460 -0.224 0.000 1.228 245 W HN 0.007 nan 8.180 nan 0.000 0.499 246 P HA 0.007 nan 4.420 nan 0.000 0.275 246 P C 0.553 177.360 177.300 -0.822 0.000 1.310 246 P CA 0.304 62.557 63.100 -1.411 0.000 0.904 246 P CB 0.235 30.718 31.700 -2.027 0.000 1.381 247 Y N -0.364 119.660 120.300 -0.461 0.000 2.097 247 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 247 Y C 2.105 177.769 175.900 -0.393 0.000 1.152 247 Y CA 1.781 59.610 58.100 -0.452 0.000 1.136 247 Y CB -1.295 36.827 38.460 -0.563 0.000 0.975 247 Y HN -0.129 nan 8.280 nan 0.000 0.498 248 F N -1.418 118.577 119.950 0.076 0.000 2.387 248 F HA 0.039 4.566 4.527 0.000 0.000 0.294 248 F C 2.188 178.033 175.800 0.076 0.000 1.093 248 F CA 0.147 58.251 58.000 0.173 0.000 1.420 248 F CB -0.812 38.487 39.000 0.497 0.000 1.086 248 F HN -0.052 nan 8.300 nan 0.000 0.531 249 I N -0.589 119.902 120.570 -0.132 0.000 2.335 249 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 249 I C 2.107 178.296 176.117 0.120 0.000 1.129 249 I CA 1.213 62.489 61.300 -0.039 0.000 1.402 249 I CB -0.325 37.643 38.000 -0.054 0.000 1.069 249 I HN 0.058 nan 8.210 nan 0.000 0.424 250 I N 0.564 121.166 120.570 0.053 0.000 2.500 250 I HA -0.204 3.966 4.170 -0.000 0.000 0.252 250 I C 2.432 178.683 176.117 0.225 0.000 1.142 250 I CA 1.304 62.658 61.300 0.090 0.000 1.451 250 I CB -0.467 37.508 38.000 -0.041 0.000 1.093 250 I HN 0.070 nan 8.210 nan 0.000 0.430 251 K N 0.573 121.145 120.400 0.287 0.000 1.985 251 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 251 K C 1.725 178.608 176.600 0.471 0.000 1.047 251 K CA 2.131 58.711 56.287 0.490 0.000 0.932 251 K CB -0.169 32.686 32.500 0.592 0.000 0.716 251 K HN 0.159 nan 8.250 nan 0.000 0.439 252 D N 0.217 120.849 120.400 0.387 0.000 2.092 252 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 252 D C 1.921 178.298 176.300 0.128 0.000 0.994 252 D CA 1.231 55.384 54.000 0.255 0.000 0.828 252 D CB -0.264 40.723 40.800 0.312 0.000 0.963 252 D HN 0.026 nan 8.370 nan 0.000 0.450 253 V N 0.757 120.767 119.914 0.159 0.000 2.407 253 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 253 V C 2.078 178.212 176.094 0.066 0.000 1.055 253 V CA 1.267 63.627 62.300 0.099 0.000 1.049 253 V CB -0.568 31.334 31.823 0.131 0.000 0.662 253 V HN 0.147 nan 8.190 nan 0.000 0.455 254 F N 1.849 121.810 119.950 0.018 0.000 2.102 254 F HA -0.126 4.401 4.527 0.000 0.000 0.298 254 F C 2.237 177.968 175.800 -0.115 0.000 1.105 254 F CA 1.322 59.306 58.000 -0.026 0.000 1.239 254 F CB -0.846 38.161 39.000 0.012 0.000 0.991 254 F HN 0.074 nan 8.300 nan 0.000 0.474 255 A N 0.975 123.460 122.820 -0.558 0.000 1.851 255 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 255 A C 2.160 179.424 177.584 -0.533 0.000 1.195 255 A CA 1.816 53.414 52.037 -0.731 0.000 0.622 255 A CB -1.554 17.171 19.000 -0.458 0.000 0.831 255 A HN 0.503 nan 8.150 nan 0.000 0.444 256 L N -0.203 120.822 121.223 -0.330 0.000 2.197 256 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 256 L C 2.509 179.203 176.870 -0.293 0.000 1.095 256 L CA 2.223 56.891 54.840 -0.287 0.000 0.764 256 L CB -0.836 41.102 42.059 -0.201 0.000 0.897 256 L HN 0.390 nan 8.230 nan 0.000 0.436 257 A N -1.710 120.947 122.820 -0.272 0.000 1.930 257 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 257 A C 2.166 179.639 177.584 -0.185 0.000 1.176 257 A CA 1.464 53.390 52.037 -0.185 0.000 0.632 257 A CB -0.734 18.201 19.000 -0.107 0.000 0.819 257 A HN 0.282 nan 8.150 nan 0.000 0.445 258 V N -0.328 119.385 119.914 -0.336 0.000 2.453 258 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 258 V C 2.509 178.521 176.094 -0.137 0.000 1.048 258 V CA 1.673 63.815 62.300 -0.263 0.000 1.049 258 V CB -0.887 30.674 31.823 -0.438 0.000 0.672 258 V HN 0.331 nan 8.190 nan 0.000 0.457 259 V N 0.234 120.048 119.914 -0.167 0.000 2.233 259 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 259 V C 2.387 178.519 176.094 0.064 0.000 1.050 259 V CA 2.205 64.480 62.300 -0.042 0.000 1.010 259 V CB -0.660 31.115 31.823 -0.080 0.000 0.637 259 V HN 0.432 nan 8.190 nan 0.000 0.444 260 L N -0.495 120.745 121.223 0.030 0.000 2.189 260 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 260 L C 2.460 179.560 176.870 0.383 0.000 1.097 260 L CA 1.157 56.142 54.840 0.242 0.000 0.764 260 L CB -0.683 41.462 42.059 0.144 0.000 0.900 260 L HN 0.389 nan 8.230 nan 0.000 0.436 261 L N -0.388 120.952 121.223 0.195 0.000 1.994 261 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 261 L C 2.383 179.378 176.870 0.209 0.000 1.071 261 L CA 1.815 56.764 54.840 0.181 0.000 0.745 261 L CB -0.615 41.490 42.059 0.077 0.000 0.892 261 L HN -0.086 nan 8.230 nan 0.000 0.431 262 V N -0.307 119.706 119.914 0.165 0.000 2.295 262 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 262 V C 2.383 178.597 176.094 0.201 0.000 1.049 262 V CA 1.974 64.370 62.300 0.159 0.000 1.024 262 V CB -1.036 30.866 31.823 0.132 0.000 0.648 262 V HN 0.564 nan 8.190 nan 0.000 0.447 263 F N 0.882 120.867 119.950 0.059 0.000 2.065 263 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 263 F C 2.035 177.776 175.800 -0.098 0.000 1.112 263 F CA 1.650 59.634 58.000 -0.026 0.000 1.212 263 F CB -0.724 38.221 39.000 -0.091 0.000 0.975 263 F HN 0.159 nan 8.300 nan 0.000 0.476 264 F N 0.394 120.240 119.950 -0.174 0.000 2.234 264 F HA -0.045 4.482 4.527 0.000 0.000 0.299 264 F C 2.559 178.279 175.800 -0.132 0.000 1.087 264 F CA 1.175 59.020 58.000 -0.259 0.000 1.340 264 F CB -1.262 37.679 39.000 -0.098 0.000 1.031 264 F HN 0.094 nan 8.300 nan 0.000 0.500 265 A N 0.319 123.240 122.820 0.169 0.000 1.902 265 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 265 A C 2.247 179.955 177.584 0.207 0.000 1.181 265 A CA 1.519 53.725 52.037 0.282 0.000 0.623 265 A CB -0.742 18.400 19.000 0.237 0.000 0.818 265 A HN 0.243 nan 8.150 nan 0.000 0.443 266 I N -0.110 120.494 120.570 0.056 0.000 2.163 266 I HA -0.156 4.014 4.170 -0.000 0.000 0.240 266 I C 2.481 178.545 176.117 -0.089 0.000 1.081 266 I CA 1.211 62.523 61.300 0.020 0.000 1.353 266 I CB -1.411 36.623 38.000 0.056 0.000 1.054 266 I HN 0.139 nan 8.210 nan 0.000 0.407 267 V N 1.251 121.005 119.914 -0.268 0.000 2.594 267 V HA -0.162 3.958 4.120 -0.000 0.000 0.253 267 V C 2.475 178.435 176.094 -0.223 0.000 1.069 267 V CA 1.908 64.025 62.300 -0.305 0.000 1.082 267 V CB -1.278 30.215 31.823 -0.550 0.000 0.680 267 V HN 0.548 nan 8.190 nan 0.000 0.469 268 G N -1.533 107.116 108.800 -0.252 0.000 2.510 268 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.212 268 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.212 268 G C 1.240 175.783 174.900 -0.595 0.000 1.151 268 G CA 0.313 45.155 45.100 -0.431 0.000 0.817 268 G HN 0.484 nan 8.290 nan 0.000 0.534 269 F N 0.257 120.195 119.950 -0.020 0.000 2.559 269 F HA 0.382 4.909 4.527 -0.000 0.000 0.286 269 F C 1.630 177.405 175.800 -0.042 0.000 1.108 269 F CA 0.171 58.156 58.000 -0.024 0.000 1.436 269 F CB 0.246 39.236 39.000 -0.017 0.000 1.130 269 F HN 0.028 nan 8.300 nan 0.000 0.584 270 M N -0.109 119.544 119.600 0.088 0.000 3.287 270 M HA 0.407 4.887 4.480 -0.000 0.000 0.336 270 M C -2.403 173.900 176.300 0.005 0.000 1.573 270 M CA -1.363 53.971 55.300 0.057 0.000 0.609 270 M CB 0.877 33.519 32.600 0.070 0.000 1.421 270 M HN -0.282 nan 8.290 nan 0.000 0.476 271 P HA -0.127 nan 4.420 nan 0.000 0.219 271 P C 0.281 177.492 177.300 -0.147 0.000 1.146 271 P CA 1.447 64.342 63.100 -0.341 0.000 0.808 271 P CB 0.040 31.093 31.700 -1.078 0.000 0.779 272 N N -1.704 116.975 118.700 -0.035 0.000 2.280 272 N HA -0.034 4.706 4.740 -0.000 0.000 0.192 272 N C 1.477 177.082 175.510 0.159 0.000 1.109 272 N CA -0.107 53.026 53.050 0.139 0.000 0.855 272 N CB -0.482 38.130 38.487 0.208 0.000 0.974 272 N HN 0.163 nan 8.380 nan 0.000 0.482 273 Y N 1.844 122.175 120.300 0.051 0.000 2.114 273 Y HA -0.050 4.500 4.550 -0.000 0.000 0.284 273 Y C 1.848 177.783 175.900 0.058 0.000 1.143 273 Y CA 1.461 59.587 58.100 0.044 0.000 1.135 273 Y CB -0.368 38.106 38.460 0.025 0.000 0.980 273 Y HN -0.039 nan 8.280 nan 0.000 0.499 274 L N 0.262 121.482 121.223 -0.005 0.000 2.622 274 L HA 0.062 4.402 4.340 -0.000 0.000 0.233 274 L C 1.169 178.071 176.870 0.055 0.000 1.156 274 L CA 0.309 55.132 54.840 -0.029 0.000 0.866 274 L CB -1.074 41.108 42.059 0.206 0.000 0.980 274 L HN 0.293 nan 8.230 nan 0.000 0.448 275 G N -2.443 106.391 108.800 0.056 0.000 2.667 275 G HA2 0.275 4.235 3.960 -0.000 0.000 0.310 275 G HA3 0.275 4.235 3.960 -0.000 0.000 0.310 275 G C -1.391 173.576 174.900 0.112 0.000 1.259 275 G CA -0.380 44.792 45.100 0.121 0.000 1.019 275 G HN -0.010 nan 8.290 nan 0.000 0.496 276 H N 0.482 119.612 119.070 0.101 0.000 2.541 276 H HA 0.347 4.903 4.556 -0.000 0.000 0.316 276 H C -1.660 173.748 175.328 0.134 0.000 1.043 276 H CA -2.040 54.067 56.048 0.098 0.000 1.232 276 H CB 2.142 31.968 29.762 0.106 0.000 1.406 276 H HN 0.059 nan 8.280 nan 0.000 0.469 277 P HA -0.141 nan 4.420 nan 0.000 0.219 277 P C 0.839 178.392 177.300 0.422 0.000 1.144 277 P CA 1.034 64.377 63.100 0.405 0.000 0.806 277 P CB 0.468 32.320 31.700 0.253 0.000 0.771 278 D N -1.829 118.864 120.400 0.488 0.000 2.348 278 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 278 D C 1.366 177.733 176.300 0.112 0.000 0.970 278 D CA 0.672 54.808 54.000 0.226 0.000 0.889 278 D CB -0.532 40.297 40.800 0.049 0.000 0.912 278 D HN 0.095 nan 8.370 nan 0.000 0.524 279 N N -0.543 118.214 118.700 0.096 0.000 2.398 279 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 279 N C 0.147 175.695 175.510 0.063 0.000 1.122 279 N CA 0.201 53.239 53.050 -0.020 0.000 0.866 279 N CB -0.041 38.362 38.487 -0.140 0.000 0.970 279 N HN 0.119 nan 8.380 nan 0.000 0.462 280 Y N -0.234 120.208 120.300 0.236 0.000 2.532 280 Y HA 0.329 4.879 4.550 -0.000 0.000 0.283 280 Y C -0.051 176.011 175.900 0.269 0.000 1.181 280 Y CA -0.278 58.020 58.100 0.330 0.000 1.256 280 Y CB 0.314 38.923 38.460 0.249 0.000 1.112 280 Y HN -0.051 nan 8.280 nan 0.000 0.521 281 I N 0.647 121.342 120.570 0.208 0.000 2.433 281 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 281 I C 0.225 176.159 176.117 -0.304 0.000 1.001 281 I CA -1.185 60.113 61.300 -0.003 0.000 1.119 281 I CB 1.446 39.460 38.000 0.023 0.000 1.289 281 I HN 0.131 nan 8.210 nan 0.000 0.438 282 E N 3.086 122.942 120.200 -0.574 0.000 2.418 282 E HA 0.246 4.596 4.350 -0.000 0.000 0.261 282 E C 0.224 176.564 176.600 -0.434 0.000 1.070 282 E CA -0.320 55.608 56.400 -0.786 0.000 0.931 282 E CB 0.690 30.014 29.700 -0.628 0.000 0.954 282 E HN 0.701 nan 8.360 nan 0.000 0.439 283 A N 3.046 125.581 122.820 -0.476 0.000 2.520 283 A HA 0.013 4.333 4.320 -0.000 0.000 0.245 283 A C 0.015 177.282 177.584 -0.528 0.000 1.072 283 A CA -0.058 51.618 52.037 -0.601 0.000 0.761 283 A CB 0.026 18.358 19.000 -1.114 0.000 1.004 283 A HN 0.489 nan 8.150 nan 0.000 0.499 284 N N 2.908 121.354 118.700 -0.424 0.000 2.442 284 N HA 0.410 5.150 4.740 -0.000 0.000 0.274 284 N C -2.575 172.741 175.510 -0.323 0.000 1.002 284 N CA -2.011 50.878 53.050 -0.269 0.000 0.910 284 N CB 2.070 40.525 38.487 -0.054 0.000 1.244 284 N HN 0.140 nan 8.380 nan 0.000 0.492 285 P HA 0.171 nan 4.420 nan 0.000 0.245 285 P C 0.648 178.059 177.300 0.185 0.000 1.212 285 P CA 0.638 63.522 63.100 -0.361 0.000 0.774 285 P CB 0.417 31.878 31.700 -0.399 0.000 0.999 286 L N -1.723 119.594 121.223 0.157 0.000 2.728 286 L HA 0.269 4.609 4.340 -0.000 0.000 0.238 286 L C 0.566 177.542 176.870 0.178 0.000 1.143 286 L CA 0.133 55.079 54.840 0.176 0.000 0.937 286 L CB 0.182 42.284 42.059 0.071 0.000 1.225 286 L HN -0.151 nan 8.230 nan 0.000 0.507 287 R N -0.343 120.323 120.500 0.277 0.000 2.533 287 R HA 0.403 4.743 4.340 -0.000 0.000 0.288 287 R C -0.915 175.351 176.300 -0.057 0.000 1.039 287 R CA -0.290 55.861 56.100 0.086 0.000 0.909 287 R CB 2.425 32.750 30.300 0.041 0.000 1.195 287 R HN -0.201 nan 8.270 nan 0.000 0.438 288 T N 4.532 118.764 114.554 -0.536 0.000 2.749 288 T HA 0.299 4.649 4.350 -0.000 0.000 0.287 288 T C -2.311 172.094 174.700 -0.491 0.000 0.970 288 T CA -1.473 59.993 62.100 -1.055 0.000 0.980 288 T CB 1.387 69.499 68.868 -1.261 0.000 0.924 288 T HN 0.211 nan 8.240 nan 0.000 0.456 289 P HA 0.158 nan 4.420 nan 0.000 0.265 289 P C 0.549 177.698 177.300 -0.252 0.000 1.193 289 P CA -0.156 62.824 63.100 -0.200 0.000 0.765 289 P CB 0.478 32.117 31.700 -0.101 0.000 0.823 290 A N 3.437 126.070 122.820 -0.312 0.000 1.978 290 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 290 A C 1.090 178.399 177.584 -0.459 0.000 1.170 290 A CA 1.471 53.246 52.037 -0.436 0.000 0.636 290 A CB -0.891 17.750 19.000 -0.599 0.000 0.810 290 A HN 0.621 nan 8.150 nan 0.000 0.448 291 H N -1.270 117.806 119.070 0.010 0.000 2.488 291 H HA 0.294 4.850 4.556 -0.000 0.000 0.294 291 H C 0.127 175.530 175.328 0.124 0.000 1.088 291 H CA -0.837 55.249 56.048 0.063 0.000 1.086 291 H CB -0.587 29.233 29.762 0.096 0.000 1.569 291 H HN 0.498 nan 8.280 nan 0.000 0.548 292 I N 2.099 122.695 120.570 0.043 0.000 2.742 292 I HA -0.024 4.146 4.170 -0.000 0.000 0.287 292 I C -0.675 175.450 176.117 0.013 0.000 1.186 292 I CA 0.369 61.648 61.300 -0.035 0.000 1.417 292 I CB 0.048 37.986 38.000 -0.104 0.000 1.377 292 I HN -0.181 nan 8.210 nan 0.000 0.556 293 V N 7.535 127.462 119.914 0.021 0.000 2.925 293 V HA 0.474 4.594 4.120 -0.000 0.000 0.311 293 V C -2.216 173.781 176.094 -0.162 0.000 1.104 293 V CA -1.337 60.917 62.300 -0.077 0.000 0.954 293 V CB 1.691 33.537 31.823 0.038 0.000 1.022 293 V HN 0.670 nan 8.190 nan 0.000 0.427 294 P HA 0.324 nan 4.420 nan 0.000 0.277 294 P C -0.799 176.296 177.300 -0.341 0.000 1.276 294 P CA -0.552 62.339 63.100 -0.347 0.000 0.788 294 P CB 0.457 31.870 31.700 -0.479 0.000 1.114 295 E N 0.404 120.278 120.200 -0.544 0.000 2.360 295 E HA -0.027 4.323 4.350 -0.000 0.000 0.269 295 E C 1.083 177.179 176.600 -0.839 0.000 1.022 295 E CA -0.166 55.699 56.400 -0.891 0.000 0.887 295 E CB -0.133 28.566 29.700 -1.667 0.000 0.990 295 E HN 0.529 nan 8.360 nan 0.000 0.426 296 W N 4.337 125.295 121.300 -0.571 0.000 2.290 296 W HA -0.365 4.295 4.660 -0.000 0.000 0.311 296 W C 0.922 177.271 176.519 -0.284 0.000 1.238 296 W CA 1.483 58.625 57.345 -0.338 0.000 1.255 296 W CB -1.040 28.316 29.460 -0.173 0.000 1.145 296 W HN 0.755 nan 8.180 nan 0.000 0.506 297 Y N -2.248 117.138 120.300 -1.524 0.000 2.680 297 Y HA 0.080 4.630 4.550 -0.000 0.000 0.303 297 Y C 1.536 177.157 175.900 -0.465 0.000 1.166 297 Y CA 0.117 57.437 58.100 -1.300 0.000 1.344 297 Y CB -1.746 35.538 38.460 -1.960 0.000 1.002 297 Y HN -0.188 nan 8.280 nan 0.000 0.537 298 F N -0.478 119.165 119.950 -0.512 0.000 2.694 298 F HA 0.214 4.741 4.527 -0.000 0.000 0.292 298 F C 1.898 177.611 175.800 -0.145 0.000 1.121 298 F CA -0.961 56.888 58.000 -0.252 0.000 1.352 298 F CB -0.665 38.122 39.000 -0.355 0.000 1.107 298 F HN 0.099 nan 8.300 nan 0.000 0.597 299 L N 1.552 122.764 121.223 -0.019 0.000 2.030 299 L HA -0.259 4.081 4.340 -0.000 0.000 0.222 299 L C -0.059 176.761 176.870 -0.083 0.000 1.082 299 L CA 2.246 57.072 54.840 -0.023 0.000 0.785 299 L CB -2.187 39.841 42.059 -0.051 0.000 0.895 299 L HN 0.053 nan 8.230 nan 0.000 0.439 300 P HA -0.223 nan 4.420 nan 0.000 0.215 300 P C 1.583 178.521 177.300 -0.603 0.000 1.157 300 P CA 1.849 64.579 63.100 -0.616 0.000 0.868 300 P CB -0.229 30.769 31.700 -1.170 0.000 0.788 301 F N -1.874 117.938 119.950 -0.231 0.000 2.451 301 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 301 F C 2.620 178.316 175.800 -0.174 0.000 1.101 301 F CA 0.735 58.592 58.000 -0.238 0.000 1.436 301 F CB -1.302 37.545 39.000 -0.254 0.000 1.074 301 F HN -0.058 nan 8.300 nan 0.000 0.553 302 Y N 0.484 120.701 120.300 -0.138 0.000 2.314 302 Y HA 0.132 4.682 4.550 -0.000 0.000 0.294 302 Y C 2.220 178.025 175.900 -0.158 0.000 1.119 302 Y CA 0.686 58.698 58.100 -0.146 0.000 1.179 302 Y CB -0.581 37.803 38.460 -0.128 0.000 1.025 302 Y HN -0.060 nan 8.280 nan 0.000 0.541 303 A N 1.164 123.841 122.820 -0.239 0.000 1.877 303 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 303 A C 2.282 179.674 177.584 -0.320 0.000 1.186 303 A CA 2.023 53.849 52.037 -0.353 0.000 0.620 303 A CB -1.179 17.673 19.000 -0.247 0.000 0.822 303 A HN 0.568 nan 8.150 nan 0.000 0.443 304 I N -0.563 119.865 120.570 -0.237 0.000 2.208 304 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 304 I C 2.530 178.635 176.117 -0.020 0.000 1.097 304 I CA 1.609 62.845 61.300 -0.107 0.000 1.363 304 I CB -0.266 37.712 38.000 -0.037 0.000 1.051 304 I HN 0.473 nan 8.210 nan 0.000 0.413 305 L N 1.557 122.733 121.223 -0.079 0.000 2.083 305 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 305 L C 2.478 179.300 176.870 -0.080 0.000 1.083 305 L CA 1.506 56.329 54.840 -0.029 0.000 0.752 305 L CB -0.229 41.770 42.059 -0.100 0.000 0.899 305 L HN 0.229 nan 8.230 nan 0.000 0.433 306 R N -0.970 119.361 120.500 -0.283 0.000 2.426 306 R HA 0.310 4.650 4.340 -0.000 0.000 0.263 306 R C 1.411 177.520 176.300 -0.318 0.000 0.961 306 R CA 0.585 56.507 56.100 -0.297 0.000 1.086 306 R CB -0.124 29.913 30.300 -0.437 0.000 1.186 306 R HN 0.248 nan 8.270 nan 0.000 0.537 307 A N 1.199 123.773 122.820 -0.411 0.000 1.903 307 A HA 0.151 4.471 4.320 -0.000 0.000 0.213 307 A C 0.232 177.440 177.584 -0.626 0.000 1.185 307 A CA 0.171 51.853 52.037 -0.591 0.000 0.628 307 A CB -0.165 18.336 19.000 -0.832 0.000 0.830 307 A HN 0.279 nan 8.150 nan 0.000 0.446 308 F N 2.419 122.319 119.950 -0.083 0.000 2.566 308 F HA 0.304 4.831 4.527 -0.000 0.000 0.349 308 F C 1.205 176.952 175.800 -0.089 0.000 1.245 308 F CA 0.043 58.000 58.000 -0.071 0.000 1.169 308 F CB -0.330 38.753 39.000 0.139 0.000 1.470 308 F HN 0.138 nan 8.300 nan 0.000 0.634 309 T N -1.527 113.004 114.554 -0.037 0.000 2.936 309 T HA 0.638 4.988 4.350 -0.000 0.000 0.282 309 T C 1.407 176.082 174.700 -0.042 0.000 1.003 309 T CA -0.382 61.691 62.100 -0.044 0.000 1.005 309 T CB 1.654 70.468 68.868 -0.090 0.000 1.097 309 T HN 0.406 nan 8.240 nan 0.000 0.532 310 A N 1.087 123.892 122.820 -0.024 0.000 1.940 310 A HA -0.143 4.177 4.320 -0.000 0.000 0.221 310 A C 1.545 179.117 177.584 -0.019 0.000 1.190 310 A CA 1.978 54.006 52.037 -0.015 0.000 0.647 310 A CB -1.096 17.903 19.000 -0.002 0.000 0.821 310 A HN 0.971 nan 8.150 nan 0.000 0.457 311 D N -0.558 119.829 120.400 -0.022 0.000 2.889 311 D HA 0.281 4.921 4.640 -0.000 0.000 0.243 311 D C -0.565 175.738 176.300 0.004 0.000 1.270 311 D CA -0.159 53.848 54.000 0.012 0.000 0.838 311 D CB 0.082 40.892 40.800 0.018 0.000 1.040 311 D HN 0.102 nan 8.370 nan 0.000 0.480 312 V N 1.595 121.487 119.914 -0.037 0.000 2.370 312 V HA 0.021 4.141 4.120 -0.000 0.000 0.283 312 V C 0.784 176.910 176.094 0.054 0.000 1.023 312 V CA -0.912 61.333 62.300 -0.092 0.000 0.857 312 V CB 1.310 33.054 31.823 -0.131 0.000 0.985 312 V HN 0.220 nan 8.190 nan 0.000 0.443 313 W N 3.653 124.908 121.300 -0.075 0.000 2.275 313 W HA -0.223 4.437 4.660 0.000 0.000 0.321 313 W C 1.963 178.437 176.519 -0.075 0.000 1.269 313 W CA 1.721 59.035 57.345 -0.052 0.000 1.274 313 W CB -1.303 28.153 29.460 -0.007 0.000 1.141 313 W HN 0.492 nan 8.180 nan 0.000 0.493 314 V N -0.085 119.891 119.914 0.103 0.000 2.261 314 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 314 V C 2.267 178.225 176.094 -0.227 0.000 1.047 314 V CA 1.989 64.274 62.300 -0.024 0.000 1.015 314 V CB -1.749 30.049 31.823 -0.042 0.000 0.642 314 V HN 0.037 nan 8.190 nan 0.000 0.446 315 V N 0.388 120.045 119.914 -0.429 0.000 2.250 315 V HA -0.386 3.734 4.120 -0.000 0.000 0.250 315 V C 2.667 178.626 176.094 -0.224 0.000 1.060 315 V CA 2.546 64.480 62.300 -0.609 0.000 1.030 315 V CB -0.979 30.594 31.823 -0.417 0.000 0.643 315 V HN 0.639 nan 8.190 nan 0.000 0.445 316 Q N -0.515 119.236 119.800 -0.081 0.000 2.030 316 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 316 Q C 2.303 178.336 176.000 0.055 0.000 0.986 316 Q CA 2.102 57.907 55.803 0.003 0.000 0.843 316 Q CB -0.395 28.356 28.738 0.023 0.000 0.904 316 Q HN 0.572 nan 8.270 nan 0.000 0.420 317 I N 1.162 121.766 120.570 0.057 0.000 2.151 317 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 317 I C 2.565 178.779 176.117 0.162 0.000 1.080 317 I CA 1.158 62.531 61.300 0.121 0.000 1.339 317 I CB -0.543 37.516 38.000 0.099 0.000 1.039 317 I HN 0.202 nan 8.210 nan 0.000 0.409 318 A N 0.896 123.762 122.820 0.077 0.000 1.865 318 A HA -0.321 3.999 4.320 -0.000 0.000 0.217 318 A C 2.089 179.747 177.584 0.123 0.000 1.191 318 A CA 2.491 54.586 52.037 0.096 0.000 0.623 318 A CB -1.263 17.775 19.000 0.063 0.000 0.826 318 A HN 0.594 nan 8.150 nan 0.000 0.444 319 N N -1.835 116.924 118.700 0.099 0.000 2.104 319 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 319 N C 1.604 177.208 175.510 0.156 0.000 1.024 319 N CA 1.800 54.925 53.050 0.124 0.000 0.853 319 N CB -0.292 38.254 38.487 0.097 0.000 1.008 319 N HN 0.403 nan 8.380 nan 0.000 0.424 320 F N 1.801 121.759 119.950 0.012 0.000 2.031 320 F HA -0.067 4.460 4.527 -0.000 0.000 0.295 320 F C 1.965 177.772 175.800 0.012 0.000 1.133 320 F CA 1.520 59.508 58.000 -0.019 0.000 1.188 320 F CB -0.632 38.343 39.000 -0.041 0.000 0.974 320 F HN 0.063 nan 8.300 nan 0.000 0.473 321 I N 0.322 120.867 120.570 -0.043 0.000 2.315 321 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 321 I C 2.110 178.260 176.117 0.055 0.000 1.125 321 I CA 1.599 62.837 61.300 -0.103 0.000 1.392 321 I CB -1.248 36.788 38.000 0.060 0.000 1.065 321 I HN 0.341 nan 8.210 nan 0.000 0.424 322 S N 0.232 115.995 115.700 0.104 0.000 2.754 322 S HA 0.038 4.508 4.470 -0.000 0.000 0.223 322 S C 0.632 175.393 174.600 0.269 0.000 0.951 322 S CA -0.516 57.784 58.200 0.167 0.000 0.954 322 S CB -0.973 62.315 63.200 0.146 0.000 0.780 322 S HN 0.361 nan 8.310 nan 0.000 0.509 323 F N 1.482 121.354 119.950 -0.129 0.000 2.907 323 F HA -0.147 4.380 4.527 -0.000 0.000 0.244 323 F C 1.639 177.424 175.800 -0.025 0.000 1.007 323 F CA 0.731 58.668 58.000 -0.104 0.000 0.872 323 F CB -1.899 37.048 39.000 -0.089 0.000 0.767 323 F HN 0.559 nan 8.300 nan 0.000 0.837 324 G N -0.419 108.464 108.800 0.138 0.000 2.990 324 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.225 324 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.225 324 G C 1.306 176.286 174.900 0.133 0.000 1.304 324 G CA 0.278 45.452 45.100 0.123 0.000 0.816 324 G HN 0.543 nan 8.290 nan 0.000 0.528 325 I N 1.418 122.068 120.570 0.134 0.000 2.130 325 I HA -0.228 3.942 4.170 -0.000 0.000 0.241 325 I C 1.652 177.892 176.117 0.205 0.000 1.023 325 I CA 1.813 63.187 61.300 0.124 0.000 1.293 325 I CB -0.320 37.741 38.000 0.101 0.000 1.001 325 I HN 0.291 nan 8.210 nan 0.000 0.407 326 I N 1.871 122.590 120.570 0.248 0.000 2.227 326 I HA 0.003 4.173 4.170 -0.000 0.000 0.297 326 I C 0.113 176.388 176.117 0.263 0.000 1.173 326 I CA -0.513 60.990 61.300 0.338 0.000 1.356 326 I CB -0.624 37.526 38.000 0.251 0.000 1.485 326 I HN 0.305 nan 8.210 nan 0.000 0.604 327 D N 4.153 124.709 120.400 0.261 0.000 2.507 327 D HA 0.352 4.992 4.640 -0.000 0.000 0.280 327 D C 1.362 177.775 176.300 0.188 0.000 1.219 327 D CA -0.378 53.728 54.000 0.178 0.000 1.085 327 D CB 0.695 41.578 40.800 0.138 0.000 1.134 327 D HN 0.225 nan 8.370 nan 0.000 0.583 328 A N -0.614 122.277 122.820 0.118 0.000 1.883 328 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 328 A C 2.002 179.693 177.584 0.178 0.000 1.186 328 A CA 2.322 54.426 52.037 0.112 0.000 0.624 328 A CB -1.050 17.983 19.000 0.055 0.000 0.822 328 A HN 0.660 nan 8.150 nan 0.000 0.444 329 K N -1.498 118.996 120.400 0.156 0.000 1.987 329 K HA -0.212 4.108 4.320 -0.000 0.000 0.216 329 K C 1.806 178.533 176.600 0.212 0.000 1.051 329 K CA 2.015 58.394 56.287 0.152 0.000 0.942 329 K CB -0.466 32.111 32.500 0.127 0.000 0.722 329 K HN 0.334 nan 8.250 nan 0.000 0.444 330 F N 1.022 121.015 119.950 0.071 0.000 2.408 330 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 330 F C 1.643 177.470 175.800 0.044 0.000 1.090 330 F CA 0.583 58.610 58.000 0.046 0.000 1.427 330 F CB -0.392 38.632 39.000 0.040 0.000 1.070 330 F HN 0.148 nan 8.300 nan 0.000 0.549 331 F N 0.418 120.289 119.950 -0.132 0.000 2.098 331 F HA 0.089 4.616 4.527 -0.000 0.000 0.294 331 F C 2.493 178.128 175.800 -0.276 0.000 1.107 331 F CA 1.783 59.603 58.000 -0.300 0.000 1.234 331 F CB -1.014 37.865 39.000 -0.200 0.000 1.002 331 F HN -0.079 nan 8.300 nan 0.000 0.472 332 G N -0.174 108.704 108.800 0.131 0.000 2.462 332 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 332 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 332 G C 1.694 176.562 174.900 -0.053 0.000 1.121 332 G CA 1.175 46.346 45.100 0.119 0.000 0.758 332 G HN 0.351 nan 8.290 nan 0.000 0.559 333 V N 0.737 120.606 119.914 -0.075 0.000 2.270 333 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 333 V C 2.897 178.928 176.094 -0.105 0.000 1.043 333 V CA 1.454 63.720 62.300 -0.056 0.000 1.014 333 V CB -0.411 31.480 31.823 0.112 0.000 0.645 333 V HN 0.349 nan 8.190 nan 0.000 0.447 334 L N 0.075 121.086 121.223 -0.352 0.000 2.083 334 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 334 L C 2.710 179.373 176.870 -0.344 0.000 1.083 334 L CA 1.457 56.048 54.840 -0.415 0.000 0.752 334 L CB -0.822 40.764 42.059 -0.789 0.000 0.899 334 L HN 0.362 nan 8.230 nan 0.000 0.433 335 A N -0.115 122.418 122.820 -0.479 0.000 1.865 335 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 335 A C 2.346 179.980 177.584 0.084 0.000 1.191 335 A CA 2.178 54.019 52.037 -0.328 0.000 0.623 335 A CB -0.553 18.246 19.000 -0.334 0.000 0.826 335 A HN 0.415 nan 8.150 nan 0.000 0.444 336 M N -1.730 117.864 119.600 -0.010 0.000 2.066 336 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 336 M C 1.973 178.232 176.300 -0.070 0.000 1.074 336 M CA 2.110 57.381 55.300 -0.048 0.000 1.114 336 M CB -0.310 32.137 32.600 -0.255 0.000 1.306 336 M HN 0.329 nan 8.290 nan 0.000 0.411 337 F N 0.517 120.440 119.950 -0.045 0.000 2.192 337 F HA -0.100 4.427 4.527 -0.000 0.000 0.301 337 F C 2.499 178.298 175.800 -0.002 0.000 1.079 337 F CA 1.626 59.587 58.000 -0.065 0.000 1.303 337 F CB -1.453 37.487 39.000 -0.100 0.000 1.024 337 F HN 0.325 nan 8.300 nan 0.000 0.494 338 G N -0.732 108.188 108.800 0.200 0.000 2.408 338 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 338 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 338 G C 1.920 176.995 174.900 0.291 0.000 1.150 338 G CA 0.703 45.942 45.100 0.232 0.000 0.776 338 G HN 0.453 nan 8.290 nan 0.000 0.542 339 A N 0.485 123.473 122.820 0.282 0.000 1.978 339 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 339 A C 2.346 180.059 177.584 0.214 0.000 1.170 339 A CA 1.335 53.391 52.037 0.031 0.000 0.636 339 A CB -0.272 18.675 19.000 -0.088 0.000 0.810 339 A HN 0.426 nan 8.150 nan 0.000 0.448 340 I N -1.363 119.323 120.570 0.194 0.000 2.385 340 I HA -0.094 4.076 4.170 -0.000 0.000 0.244 340 I C 2.289 178.458 176.117 0.087 0.000 1.089 340 I CA 0.801 62.194 61.300 0.155 0.000 1.410 340 I CB -0.257 37.762 38.000 0.031 0.000 1.117 340 I HN 0.387 nan 8.210 nan 0.000 0.429 341 L N 0.500 121.780 121.223 0.095 0.000 2.127 341 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 341 L C 2.249 179.143 176.870 0.038 0.000 1.089 341 L CA 1.645 56.529 54.840 0.072 0.000 0.757 341 L CB -0.455 41.650 42.059 0.078 0.000 0.899 341 L HN 0.001 nan 8.230 nan 0.000 0.434 342 V N -0.434 119.474 119.914 -0.011 0.000 2.427 342 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 342 V C 2.479 178.346 176.094 -0.378 0.000 1.051 342 V CA 2.027 64.254 62.300 -0.121 0.000 1.048 342 V CB -0.074 31.660 31.823 -0.148 0.000 0.666 342 V HN 0.660 nan 8.190 nan 0.000 0.456 343 M N -0.631 118.685 119.600 -0.474 0.000 2.419 343 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 343 M C 1.881 178.234 176.300 0.087 0.000 1.082 343 M CA 1.555 56.544 55.300 -0.518 0.000 1.119 343 M CB -0.112 32.298 32.600 -0.316 0.000 1.398 343 M HN 0.317 nan 8.290 nan 0.000 0.453 344 A N 0.100 123.006 122.820 0.144 0.000 2.066 344 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 344 A C 1.676 179.564 177.584 0.507 0.000 1.157 344 A CA 0.868 53.104 52.037 0.330 0.000 0.670 344 A CB -0.544 18.557 19.000 0.169 0.000 0.804 344 A HN 0.573 nan 8.150 nan 0.000 0.453 345 L N -0.520 120.909 121.223 0.344 0.000 2.607 345 L HA 0.053 4.393 4.340 -0.000 0.000 0.228 345 L C 1.759 178.875 176.870 0.410 0.000 1.123 345 L CA -0.190 54.941 54.840 0.484 0.000 0.890 345 L CB 0.169 42.397 42.059 0.280 0.000 1.103 345 L HN 0.128 nan 8.230 nan 0.000 0.468 346 V N 0.596 120.603 119.914 0.155 0.000 2.370 346 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 346 V C -0.227 175.815 176.094 -0.087 0.000 1.068 346 V CA 1.946 64.217 62.300 -0.048 0.000 1.061 346 V CB -1.446 30.093 31.823 -0.473 0.000 0.656 346 V HN 0.384 nan 8.190 nan 0.000 0.455 347 P HA -0.148 nan 4.420 nan 0.000 0.221 347 P C 0.944 177.912 177.300 -0.553 0.000 1.145 347 P CA 1.415 64.221 63.100 -0.491 0.000 0.795 347 P CB -0.056 30.956 31.700 -1.147 0.000 0.775 348 W N -1.922 119.420 121.300 0.069 0.000 2.818 348 W HA 0.386 5.045 4.660 -0.000 0.000 0.403 348 W C 0.717 177.268 176.519 0.054 0.000 0.991 348 W CA -0.040 57.340 57.345 0.057 0.000 1.925 348 W CB 0.276 29.769 29.460 0.054 0.000 1.166 348 W HN 0.003 nan 8.180 nan 0.000 0.605 349 L N -0.952 120.400 121.223 0.214 0.000 2.854 349 L HA 0.148 4.488 4.340 -0.000 0.000 0.249 349 L C 0.209 177.135 176.870 0.093 0.000 1.091 349 L CA 0.276 55.212 54.840 0.159 0.000 0.935 349 L CB 0.146 42.313 42.059 0.179 0.000 1.367 349 L HN -0.331 nan 8.230 nan 0.000 0.524 350 D N 1.188 121.643 120.400 0.092 0.000 2.393 350 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 350 D C 1.168 177.482 176.300 0.024 0.000 1.192 350 D CA 0.079 54.121 54.000 0.070 0.000 0.882 350 D CB 1.236 42.137 40.800 0.169 0.000 1.038 350 D HN 0.116 nan 8.370 nan 0.000 0.499 351 T N 0.030 114.591 114.554 0.012 0.000 3.100 351 T HA 0.042 4.392 4.350 -0.000 0.000 0.253 351 T C 1.115 175.799 174.700 -0.026 0.000 1.118 351 T CA -0.383 61.717 62.100 -0.001 0.000 1.058 351 T CB -0.015 68.862 68.868 0.014 0.000 0.953 351 T HN 0.226 nan 8.240 nan 0.000 0.515 352 S N 3.396 119.072 115.700 -0.040 0.000 2.533 352 S HA 0.190 4.660 4.470 -0.000 0.000 0.282 352 S C -1.065 173.480 174.600 -0.091 0.000 1.304 352 S CA -1.289 56.873 58.200 -0.062 0.000 1.063 352 S CB 0.907 64.057 63.200 -0.084 0.000 0.881 352 S HN 0.234 nan 8.310 nan 0.000 0.493 353 P HA 0.074 nan 4.420 nan 0.000 0.245 353 P C -0.123 177.119 177.300 -0.096 0.000 1.206 353 P CA 0.154 63.205 63.100 -0.082 0.000 0.781 353 P CB 0.013 31.680 31.700 -0.054 0.000 0.994 354 V N 1.940 121.793 119.914 -0.102 0.000 2.508 354 V HA 0.132 4.252 4.120 -0.000 0.000 0.281 354 V C 2.193 178.191 176.094 -0.161 0.000 1.041 354 V CA 0.042 62.285 62.300 -0.094 0.000 1.016 354 V CB 0.834 32.611 31.823 -0.076 0.000 0.984 354 V HN 0.000 nan 8.190 nan 0.000 0.478 355 R N 3.427 123.851 120.500 -0.126 0.000 2.051 355 R HA -0.002 4.338 4.340 -0.000 0.000 0.225 355 R C 1.421 177.595 176.300 -0.211 0.000 1.155 355 R CA 1.170 57.161 56.100 -0.182 0.000 0.945 355 R CB -0.094 30.138 30.300 -0.113 0.000 0.840 355 R HN 0.695 nan 8.270 nan 0.000 0.432 356 S N -0.803 114.840 115.700 -0.096 0.000 2.548 356 S HA 0.201 4.671 4.470 -0.000 0.000 0.277 356 S C 0.891 175.252 174.600 -0.399 0.000 1.315 356 S CA -0.280 57.834 58.200 -0.144 0.000 1.050 356 S CB 1.508 64.691 63.200 -0.028 0.000 0.918 356 S HN 0.481 nan 8.310 nan 0.000 0.497 357 G N 3.529 111.916 108.800 -0.688 0.000 2.920 357 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.208 357 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.208 357 G C 1.214 175.717 174.900 -0.661 0.000 1.159 357 G CA -0.205 44.318 45.100 -0.963 0.000 0.784 357 G HN 0.780 nan 8.290 nan 0.000 0.535 358 R N -0.407 119.778 120.500 -0.526 0.000 2.235 358 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 358 R C 0.206 176.263 176.300 -0.404 0.000 1.059 358 R CA 0.656 56.519 56.100 -0.395 0.000 0.997 358 R CB -0.017 29.971 30.300 -0.519 0.000 0.884 358 R HN 0.406 nan 8.270 nan 0.000 0.462 359 Y N -0.249 120.021 120.300 -0.049 0.000 2.736 359 Y HA 0.416 4.966 4.550 -0.000 0.000 0.293 359 Y C -0.482 175.377 175.900 -0.068 0.000 1.062 359 Y CA -0.702 57.376 58.100 -0.038 0.000 1.247 359 Y CB 0.546 38.985 38.460 -0.034 0.000 1.200 359 Y HN -0.217 nan 8.280 nan 0.000 0.552 360 R N 1.502 122.007 120.500 0.009 0.000 2.629 360 R HA 0.213 4.553 4.340 -0.000 0.000 0.275 360 R C -2.327 174.018 176.300 0.075 0.000 1.719 360 R CA -1.254 54.851 56.100 0.009 0.000 1.472 360 R CB 1.228 31.459 30.300 -0.116 0.000 1.237 360 R HN -0.008 nan 8.270 nan 0.000 0.589 361 P HA -0.197 nan 4.420 nan 0.000 0.218 361 P C 1.036 178.363 177.300 0.044 0.000 1.146 361 P CA 1.366 64.505 63.100 0.066 0.000 0.813 361 P CB 0.435 32.167 31.700 0.053 0.000 0.778 362 M N -2.088 117.542 119.600 0.050 0.000 2.191 362 M HA -0.010 4.470 4.480 -0.000 0.000 0.262 362 M C 2.204 178.497 176.300 -0.011 0.000 1.083 362 M CA 1.193 56.486 55.300 -0.012 0.000 1.154 362 M CB -0.693 31.936 32.600 0.048 0.000 1.344 362 M HN -0.217 nan 8.290 nan 0.000 0.431 363 F N 1.731 121.660 119.950 -0.035 0.000 2.063 363 F HA -0.335 4.192 4.527 -0.000 0.000 0.298 363 F C 2.010 177.815 175.800 0.008 0.000 1.105 363 F CA 1.950 59.949 58.000 -0.002 0.000 1.215 363 F CB -0.310 38.643 39.000 -0.079 0.000 0.972 363 F HN -0.027 nan 8.300 nan 0.000 0.483 364 K N -0.191 120.311 120.400 0.171 0.000 2.293 364 K HA -0.206 4.114 4.320 -0.000 0.000 0.204 364 K C 1.867 178.596 176.600 0.214 0.000 1.045 364 K CA 1.276 57.660 56.287 0.161 0.000 0.933 364 K CB -0.237 32.400 32.500 0.230 0.000 0.736 364 K HN 0.346 nan 8.250 nan 0.000 0.463 365 I N -0.581 119.986 120.570 -0.006 0.000 2.494 365 I HA -0.139 4.031 4.170 -0.000 0.000 0.250 365 I C 1.765 177.877 176.117 -0.008 0.000 1.112 365 I CA 1.194 62.475 61.300 -0.032 0.000 1.438 365 I CB -0.811 37.043 38.000 -0.242 0.000 1.111 365 I HN 0.069 nan 8.210 nan 0.000 0.431 366 Y N -0.054 120.280 120.300 0.057 0.000 2.352 366 Y HA -0.205 4.344 4.550 -0.000 0.000 0.292 366 Y C 2.434 178.442 175.900 0.180 0.000 1.136 366 Y CA 0.645 58.821 58.100 0.125 0.000 1.227 366 Y CB -1.094 37.346 38.460 -0.032 0.000 0.991 366 Y HN 0.075 nan 8.280 nan 0.000 0.545 367 F N -0.924 118.955 119.950 -0.118 0.000 2.039 367 F HA -0.202 4.325 4.527 -0.000 0.000 0.294 367 F C 1.627 177.270 175.800 -0.262 0.000 1.130 367 F CA 1.443 59.253 58.000 -0.318 0.000 1.189 367 F CB -0.800 37.753 39.000 -0.745 0.000 0.983 367 F HN -0.019 nan 8.300 nan 0.000 0.471 368 W N 0.740 122.225 121.300 0.307 0.000 2.480 368 W HA -0.109 4.551 4.660 -0.000 0.000 0.257 368 W C 2.050 178.560 176.519 -0.014 0.000 1.235 368 W CA 0.691 58.116 57.345 0.133 0.000 1.218 368 W CB -0.525 29.038 29.460 0.172 0.000 1.131 368 W HN 0.128 nan 8.180 nan 0.000 0.606 369 L N -1.133 120.186 121.223 0.161 0.000 2.127 369 L HA -0.145 4.195 4.340 -0.000 0.000 0.203 369 L C 2.379 179.311 176.870 0.103 0.000 1.080 369 L CA 0.421 55.297 54.840 0.060 0.000 0.768 369 L CB -0.911 41.102 42.059 -0.077 0.000 0.924 369 L HN -0.036 nan 8.230 nan 0.000 0.444 370 L N 0.351 121.661 121.223 0.145 0.000 1.990 370 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 370 L C 2.650 179.485 176.870 -0.060 0.000 1.072 370 L CA 2.192 57.026 54.840 -0.011 0.000 0.755 370 L CB -0.792 40.839 42.059 -0.715 0.000 0.889 370 L HN 0.189 nan 8.230 nan 0.000 0.432 371 A N -0.556 122.029 122.820 -0.393 0.000 1.865 371 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 371 A C 2.456 179.974 177.584 -0.111 0.000 1.191 371 A CA 2.374 54.095 52.037 -0.527 0.000 0.623 371 A CB -1.386 17.211 19.000 -0.671 0.000 0.826 371 A HN 0.611 nan 8.150 nan 0.000 0.444 372 A N -0.475 122.347 122.820 0.003 0.000 1.940 372 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 372 A C 1.836 179.471 177.584 0.085 0.000 1.176 372 A CA 2.269 54.337 52.037 0.051 0.000 0.631 372 A CB -0.729 18.300 19.000 0.047 0.000 0.814 372 A HN 0.563 nan 8.150 nan 0.000 0.446 373 D N -1.431 119.057 120.400 0.146 0.000 2.097 373 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 373 D C 1.617 178.059 176.300 0.238 0.000 0.989 373 D CA 1.386 55.524 54.000 0.230 0.000 0.827 373 D CB -0.279 40.775 40.800 0.424 0.000 0.966 373 D HN 0.384 nan 8.370 nan 0.000 0.456 374 F N 0.216 120.254 119.950 0.147 0.000 2.134 374 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 374 F C 2.101 177.901 175.800 0.000 0.000 1.097 374 F CA 1.076 59.118 58.000 0.071 0.000 1.264 374 F CB -0.205 38.922 39.000 0.211 0.000 1.001 374 F HN -0.112 nan 8.300 nan 0.000 0.479 375 V N 0.531 120.537 119.914 0.155 0.000 2.358 375 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 375 V C 2.370 178.499 176.094 0.057 0.000 1.047 375 V CA 1.984 64.330 62.300 0.076 0.000 1.035 375 V CB -0.575 31.296 31.823 0.080 0.000 0.658 375 V HN 0.340 nan 8.190 nan 0.000 0.452 376 I N -0.558 120.056 120.570 0.073 0.000 2.142 376 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 376 I C 2.422 178.637 176.117 0.165 0.000 1.078 376 I CA 1.619 63.003 61.300 0.140 0.000 1.343 376 I CB -0.352 37.712 38.000 0.107 0.000 1.046 376 I HN 0.238 nan 8.210 nan 0.000 0.405 377 L N 0.151 121.379 121.223 0.009 0.000 1.997 377 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 377 L C 2.689 179.457 176.870 -0.170 0.000 1.074 377 L CA 1.990 56.757 54.840 -0.122 0.000 0.763 377 L CB -0.818 41.062 42.059 -0.298 0.000 0.890 377 L HN 0.315 nan 8.230 nan 0.000 0.434 378 T N -1.596 112.812 114.554 -0.243 0.000 2.684 378 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 378 T C 1.250 175.935 174.700 -0.026 0.000 1.036 378 T CA 1.863 63.855 62.100 -0.181 0.000 1.148 378 T CB -0.493 68.277 68.868 -0.164 0.000 0.863 378 T HN 0.572 nan 8.240 nan 0.000 0.436 379 W N 1.668 122.901 121.300 -0.111 0.000 2.392 379 W HA -0.111 4.548 4.660 -0.000 0.000 0.279 379 W C 1.807 178.269 176.519 -0.096 0.000 1.225 379 W CA 0.458 57.754 57.345 -0.081 0.000 1.233 379 W CB -0.326 29.100 29.460 -0.057 0.000 1.122 379 W HN 0.005 nan 8.180 nan 0.000 0.561 380 V N 0.873 120.638 119.914 -0.247 0.000 2.488 380 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 380 V C 2.497 178.347 176.094 -0.406 0.000 1.046 380 V CA 1.814 63.826 62.300 -0.480 0.000 1.053 380 V CB -1.632 30.105 31.823 -0.144 0.000 0.679 380 V HN 0.355 nan 8.190 nan 0.000 0.458 381 G N 0.165 108.840 108.800 -0.210 0.000 2.485 381 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.221 381 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.221 381 G C 1.387 176.290 174.900 0.006 0.000 1.115 381 G CA 0.998 46.102 45.100 0.007 0.000 0.751 381 G HN 0.648 nan 8.290 nan 0.000 0.567 382 A N -1.024 121.657 122.820 -0.232 0.000 2.307 382 A HA 0.391 4.711 4.320 -0.000 0.000 0.218 382 A C 1.177 178.518 177.584 -0.405 0.000 1.228 382 A CA 0.147 52.026 52.037 -0.263 0.000 0.857 382 A CB 0.109 18.949 19.000 -0.267 0.000 0.897 382 A HN 0.310 nan 8.150 nan 0.000 0.495 383 Q N -0.351 119.104 119.800 -0.575 0.000 2.286 383 Q HA 0.481 4.821 4.340 -0.000 0.000 0.250 383 Q C -0.485 175.221 176.000 -0.489 0.000 1.021 383 Q CA -0.480 54.857 55.803 -0.776 0.000 0.930 383 Q CB 0.338 28.166 28.738 -1.518 0.000 1.266 383 Q HN 0.519 nan 8.270 nan 0.000 0.491 384 Q N -0.169 119.381 119.800 -0.417 0.000 2.397 384 Q HA 0.231 4.571 4.340 -0.000 0.000 0.193 384 Q C 0.911 176.865 176.000 -0.077 0.000 1.083 384 Q CA 0.175 55.891 55.803 -0.146 0.000 1.108 384 Q CB 0.157 28.882 28.738 -0.023 0.000 1.172 384 Q HN 0.703 nan 8.270 nan 0.000 0.617 385 T N -3.191 111.351 114.554 -0.020 0.000 3.107 385 T HA 0.054 4.404 4.350 -0.000 0.000 0.249 385 T C 0.700 175.433 174.700 0.056 0.000 1.096 385 T CA 0.156 62.245 62.100 -0.018 0.000 1.012 385 T CB -0.571 68.260 68.868 -0.062 0.000 0.977 385 T HN 0.710 nan 8.240 nan 0.000 0.527 386 T N 0.392 115.025 114.554 0.133 0.000 2.701 386 T HA 0.423 4.773 4.350 -0.000 0.000 0.303 386 T C -0.022 174.793 174.700 0.193 0.000 1.030 386 T CA -0.874 61.327 62.100 0.168 0.000 1.010 386 T CB 0.187 69.161 68.868 0.176 0.000 1.007 386 T HN 0.165 nan 8.240 nan 0.000 0.532 387 F N 2.803 122.769 119.950 0.027 0.000 2.459 387 F HA 0.389 4.916 4.527 0.000 0.000 0.346 387 F C -1.366 174.291 175.800 -0.239 0.000 1.128 387 F CA -2.195 55.795 58.000 -0.017 0.000 1.268 387 F CB 0.936 39.957 39.000 0.036 0.000 1.161 387 F HN 0.402 nan 8.300 nan 0.000 0.583 388 P HA -0.018 nan 4.420 nan 0.000 0.262 388 P C 0.641 177.610 177.300 -0.552 0.000 1.304 388 P CA 0.647 62.798 63.100 -1.582 0.000 0.859 388 P CB -0.127 30.615 31.700 -1.597 0.000 1.310 389 Y N 2.513 122.702 120.300 -0.184 0.000 2.207 389 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 389 Y C 2.353 178.184 175.900 -0.115 0.000 1.156 389 Y CA 1.547 59.575 58.100 -0.120 0.000 1.182 389 Y CB -1.551 36.808 38.460 -0.167 0.000 0.979 389 Y HN 0.116 nan 8.280 nan 0.000 0.521 390 D N -1.389 119.020 120.400 0.014 0.000 2.218 390 D HA -0.243 4.397 4.640 -0.000 0.000 0.204 390 D C 1.650 177.785 176.300 -0.275 0.000 0.976 390 D CA 1.186 55.098 54.000 -0.147 0.000 0.853 390 D CB -0.937 39.768 40.800 -0.159 0.000 0.939 390 D HN 0.446 nan 8.370 nan 0.000 0.481 391 W N 0.777 122.041 121.300 -0.060 0.000 2.488 391 W HA 0.252 4.912 4.660 -0.000 0.000 0.304 391 W C 2.625 179.110 176.519 -0.058 0.000 1.175 391 W CA -0.018 57.293 57.345 -0.058 0.000 1.365 391 W CB -0.274 29.174 29.460 -0.020 0.000 1.131 391 W HN -0.179 nan 8.180 nan 0.000 0.520 392 I N 0.513 121.194 120.570 0.185 0.000 2.151 392 I HA -0.420 3.750 4.170 -0.000 0.000 0.243 392 I C 2.665 178.837 176.117 0.093 0.000 1.080 392 I CA 1.960 63.349 61.300 0.150 0.000 1.339 392 I CB -1.068 37.055 38.000 0.205 0.000 1.039 392 I HN -0.012 nan 8.210 nan 0.000 0.409 393 S N 1.086 116.796 115.700 0.018 0.000 2.382 393 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 393 S C 2.076 176.597 174.600 -0.131 0.000 1.027 393 S CA 1.031 59.184 58.200 -0.078 0.000 0.991 393 S CB -0.798 62.300 63.200 -0.170 0.000 0.823 393 S HN 0.437 nan 8.310 nan 0.000 0.469 394 L N 0.627 121.746 121.223 -0.174 0.000 2.005 394 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 394 L C 2.619 179.482 176.870 -0.011 0.000 1.072 394 L CA 1.651 56.359 54.840 -0.221 0.000 0.744 394 L CB -0.447 41.401 42.059 -0.352 0.000 0.895 394 L HN 0.370 nan 8.230 nan 0.000 0.433 395 I N -0.454 120.171 120.570 0.092 0.000 2.226 395 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 395 I C 2.774 179.013 176.117 0.205 0.000 1.100 395 I CA 1.160 62.562 61.300 0.169 0.000 1.374 395 I CB -0.569 37.534 38.000 0.172 0.000 1.057 395 I HN 0.226 nan 8.210 nan 0.000 0.413 396 A N 0.570 123.489 122.820 0.166 0.000 1.865 396 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 396 A C 2.517 180.266 177.584 0.274 0.000 1.191 396 A CA 2.401 54.563 52.037 0.208 0.000 0.623 396 A CB -0.917 18.157 19.000 0.124 0.000 0.826 396 A HN 0.408 nan 8.150 nan 0.000 0.444 397 S N 0.181 115.996 115.700 0.192 0.000 2.370 397 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 397 S C 2.283 177.209 174.600 0.543 0.000 1.033 397 S CA 1.294 59.684 58.200 0.318 0.000 1.011 397 S CB -0.615 62.716 63.200 0.217 0.000 0.852 397 S HN 0.832 nan 8.310 nan 0.000 0.457 398 A N 1.053 124.119 122.820 0.411 0.000 1.851 398 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 398 A C 1.991 179.838 177.584 0.437 0.000 1.195 398 A CA 1.880 54.164 52.037 0.412 0.000 0.622 398 A CB -1.214 17.961 19.000 0.292 0.000 0.831 398 A HN 0.546 nan 8.150 nan 0.000 0.444 399 Y N -0.959 119.515 120.300 0.290 0.000 2.256 399 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 399 Y C 2.250 178.325 175.900 0.291 0.000 1.155 399 Y CA 1.426 59.672 58.100 0.244 0.000 1.203 399 Y CB -0.359 38.217 38.460 0.194 0.000 0.980 399 Y HN 0.576 nan 8.280 nan 0.000 0.530 400 W N 0.096 121.442 121.300 0.077 0.000 2.353 400 W HA -0.303 4.357 4.660 -0.000 0.000 0.319 400 W C 1.634 178.138 176.519 -0.026 0.000 1.207 400 W CA 2.238 59.554 57.345 -0.047 0.000 1.291 400 W CB -1.029 28.392 29.460 -0.066 0.000 1.159 400 W HN 0.149 nan 8.180 nan 0.000 0.478 401 F N 1.067 121.226 119.950 0.349 0.000 2.234 401 F HA -0.097 4.430 4.527 0.000 0.000 0.299 401 F C 2.731 178.582 175.800 0.084 0.000 1.087 401 F CA 1.761 59.906 58.000 0.242 0.000 1.340 401 F CB -1.419 37.717 39.000 0.227 0.000 1.031 401 F HN -0.112 nan 8.300 nan 0.000 0.500 402 A N -0.089 122.834 122.820 0.172 0.000 1.873 402 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 402 A C 2.099 179.564 177.584 -0.200 0.000 1.193 402 A CA 2.029 54.062 52.037 -0.007 0.000 0.629 402 A CB -1.592 17.399 19.000 -0.015 0.000 0.826 402 A HN 0.475 nan 8.150 nan 0.000 0.447 403 Y N -0.529 119.403 120.300 -0.613 0.000 2.128 403 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 403 Y C 1.946 177.482 175.900 -0.606 0.000 1.154 403 Y CA 2.073 59.710 58.100 -0.772 0.000 1.149 403 Y CB -0.568 37.200 38.460 -1.153 0.000 0.976 403 Y HN 0.275 nan 8.280 nan 0.000 0.505 404 F N -0.902 119.011 119.950 -0.062 0.000 2.270 404 F HA -0.035 4.492 4.527 -0.000 0.000 0.295 404 F C 2.138 177.905 175.800 -0.055 0.000 1.087 404 F CA 0.934 58.901 58.000 -0.054 0.000 1.365 404 F CB -0.447 38.486 39.000 -0.112 0.000 1.056 404 F HN -0.037 nan 8.300 nan 0.000 0.506 405 L N -1.198 120.128 121.223 0.172 0.000 2.270 405 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 405 L C 1.581 178.479 176.870 0.047 0.000 1.104 405 L CA 0.357 55.275 54.840 0.131 0.000 0.804 405 L CB -0.143 42.029 42.059 0.188 0.000 0.937 405 L HN 0.012 nan 8.230 nan 0.000 0.450 406 V N -1.201 118.701 119.914 -0.020 0.000 3.097 406 V HA 0.023 4.143 4.120 -0.000 0.000 0.223 406 V C 2.021 178.031 176.094 -0.141 0.000 1.199 406 V CA 0.070 62.337 62.300 -0.054 0.000 1.260 406 V CB 0.110 31.909 31.823 -0.039 0.000 1.155 406 V HN 0.057 nan 8.190 nan 0.000 0.509 407 I N 0.619 121.032 120.570 -0.262 0.000 2.143 407 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 407 I C 2.435 178.341 176.117 -0.351 0.000 1.068 407 I CA 2.004 63.058 61.300 -0.411 0.000 1.326 407 I CB -0.372 37.200 38.000 -0.714 0.000 1.028 407 I HN 0.282 nan 8.210 nan 0.000 0.412 408 L N -0.093 120.898 121.223 -0.387 0.000 2.109 408 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 408 L C -0.218 176.596 176.870 -0.092 0.000 1.086 408 L CA 1.411 56.099 54.840 -0.252 0.000 0.760 408 L CB -1.628 40.269 42.059 -0.269 0.000 0.910 408 L HN 0.182 nan 8.230 nan 0.000 0.437 409 P HA -0.138 nan 4.420 nan 0.000 0.217 409 P C 1.787 179.078 177.300 -0.015 0.000 1.150 409 P CA 1.376 64.469 63.100 -0.012 0.000 0.832 409 P CB 0.203 31.907 31.700 0.006 0.000 0.787 410 I N -1.198 119.350 120.570 -0.036 0.000 2.133 410 I HA -0.205 3.965 4.170 -0.000 0.000 0.238 410 I C 2.284 178.400 176.117 -0.001 0.000 1.074 410 I CA 1.173 62.461 61.300 -0.020 0.000 1.342 410 I CB -0.655 37.323 38.000 -0.036 0.000 1.053 410 I HN -0.145 nan 8.210 nan 0.000 0.404 411 L N 0.513 121.737 121.223 0.001 0.000 2.103 411 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 411 L C 2.555 179.445 176.870 0.033 0.000 1.080 411 L CA 1.843 56.713 54.840 0.050 0.000 0.764 411 L CB -1.501 40.614 42.059 0.093 0.000 0.890 411 L HN 0.431 nan 8.230 nan 0.000 0.435 412 G N -0.915 107.893 108.800 0.013 0.000 2.485 412 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.221 412 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.221 412 G C 1.598 176.501 174.900 0.006 0.000 1.115 412 G CA 1.049 46.151 45.100 0.003 0.000 0.751 412 G HN 0.551 nan 8.290 nan 0.000 0.567 413 A N -0.279 122.548 122.820 0.012 0.000 1.963 413 A HA 0.458 4.778 4.320 -0.000 0.000 0.207 413 A C 2.154 179.748 177.584 0.018 0.000 1.243 413 A CA 0.304 52.348 52.037 0.013 0.000 0.728 413 A CB 0.043 19.051 19.000 0.014 0.000 0.895 413 A HN 0.269 nan 8.150 nan 0.000 0.467 414 I N -0.106 120.479 120.570 0.026 0.000 2.332 414 I HA -0.107 4.063 4.170 -0.000 0.000 0.211 414 I C 1.207 177.345 176.117 0.035 0.000 1.055 414 I CA 0.515 61.835 61.300 0.033 0.000 1.366 414 I CB -0.591 37.437 38.000 0.046 0.000 1.173 414 I HN 0.475 nan 8.210 nan 0.000 0.400 415 E N 2.623 122.852 120.200 0.049 0.000 3.699 415 E HA -0.235 4.115 4.350 -0.000 0.000 0.324 415 E C -0.716 175.903 176.600 0.031 0.000 0.801 415 E CA 0.669 57.099 56.400 0.049 0.000 1.045 415 E CB 0.332 30.072 29.700 0.066 0.000 1.006 415 E HN 0.119 nan 8.360 nan 0.000 0.519 416 K N 5.644 126.061 120.400 0.029 0.000 2.347 416 K HA 0.313 4.633 4.320 -0.000 0.000 0.262 416 K C -2.221 174.392 176.600 0.022 0.000 1.052 416 K CA -1.764 54.535 56.287 0.020 0.000 0.946 416 K CB 1.349 33.860 32.500 0.018 0.000 1.220 416 K HN 0.410 nan 8.250 nan 0.000 0.450 417 P HA 0.012 nan 4.420 nan 0.000 0.276 417 P C -0.137 177.178 177.300 0.024 0.000 1.264 417 P CA -0.409 62.703 63.100 0.020 0.000 0.815 417 P CB 0.579 32.281 31.700 0.003 0.000 1.121 418 V N -1.216 118.721 119.914 0.038 0.000 3.158 418 V HA 0.616 4.736 4.120 -0.000 0.000 0.315 418 V C -0.345 175.700 176.094 -0.083 0.000 1.148 418 V CA -1.003 61.305 62.300 0.013 0.000 1.042 418 V CB 1.823 33.699 31.823 0.088 0.000 1.101 418 V HN 0.603 nan 8.190 nan 0.000 0.448 419 A N 3.654 126.390 122.820 -0.139 0.000 2.350 419 A HA 0.604 4.924 4.320 -0.000 0.000 0.293 419 A C -2.222 175.084 177.584 -0.464 0.000 1.231 419 A CA -1.013 50.895 52.037 -0.215 0.000 0.883 419 A CB -0.368 18.548 19.000 -0.139 0.000 1.133 419 A HN 0.526 nan 8.150 nan 0.000 0.533 420 P HA 0.374 nan 4.420 nan 0.000 0.285 420 P C -2.706 174.365 177.300 -0.381 0.000 1.259 420 P CA -1.432 61.187 63.100 -0.802 0.000 0.794 420 P CB 0.463 31.905 31.700 -0.430 0.000 0.940 421 P HA -0.076 nan 4.420 nan 0.000 0.268 421 P C 0.823 178.074 177.300 -0.082 0.000 1.189 421 P CA 0.357 63.385 63.100 -0.120 0.000 0.771 421 P CB 0.264 31.944 31.700 -0.034 0.000 0.822 422 A N 1.092 123.879 122.820 -0.054 0.000 2.072 422 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 422 A C 1.047 178.619 177.584 -0.019 0.000 1.156 422 A CA 1.463 53.477 52.037 -0.039 0.000 0.701 422 A CB -0.199 18.781 19.000 -0.034 0.000 0.816 422 A HN 0.564 nan 8.150 nan 0.000 0.458 423 T N -1.859 112.689 114.554 -0.009 0.000 2.912 423 T HA 0.510 4.860 4.350 -0.000 0.000 0.299 423 T C 0.838 175.548 174.700 0.017 0.000 1.052 423 T CA -0.576 61.526 62.100 0.003 0.000 0.996 423 T CB 0.671 69.542 68.868 0.006 0.000 1.070 423 T HN 0.131 nan 8.240 nan 0.000 0.465 424 I N 2.384 122.963 120.570 0.015 0.000 2.264 424 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 424 I C 2.566 178.717 176.117 0.057 0.000 1.111 424 I CA 1.227 62.537 61.300 0.016 0.000 1.382 424 I CB -0.175 37.812 38.000 -0.021 0.000 1.060 424 I HN 0.790 nan 8.210 nan 0.000 0.418 425 E N 1.381 121.616 120.200 0.058 0.000 2.049 425 E HA -0.323 4.027 4.350 -0.000 0.000 0.198 425 E C 2.149 178.802 176.600 0.087 0.000 1.007 425 E CA 1.841 58.298 56.400 0.096 0.000 0.809 425 E CB -0.091 29.642 29.700 0.055 0.000 0.749 425 E HN 0.525 nan 8.360 nan 0.000 0.450 426 E N 0.272 120.499 120.200 0.046 0.000 2.160 426 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 426 E C 1.739 178.363 176.600 0.040 0.000 0.991 426 E CA 1.647 58.062 56.400 0.025 0.000 0.810 426 E CB -0.108 29.597 29.700 0.008 0.000 0.742 426 E HN 0.213 nan 8.360 nan 0.000 0.466 427 D N -0.489 119.953 120.400 0.070 0.000 2.123 427 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 427 D C 1.742 178.125 176.300 0.139 0.000 0.976 427 D CA 0.856 54.911 54.000 0.092 0.000 0.831 427 D CB -0.326 40.533 40.800 0.099 0.000 0.974 427 D HN 0.228 nan 8.370 nan 0.000 0.469 428 F N 1.498 121.429 119.950 -0.033 0.000 2.102 428 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 428 F C 1.938 177.712 175.800 -0.044 0.000 1.105 428 F CA 1.327 59.298 58.000 -0.048 0.000 1.239 428 F CB -0.777 38.185 39.000 -0.062 0.000 0.991 428 F HN -0.011 nan 8.300 nan 0.000 0.474 429 N N 0.851 119.474 118.700 -0.129 0.000 2.223 429 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 429 N C 1.099 176.515 175.510 -0.157 0.000 1.016 429 N CA 0.914 53.818 53.050 -0.244 0.000 0.863 429 N CB -0.705 37.701 38.487 -0.135 0.000 0.983 429 N HN 0.309 nan 8.380 nan 0.000 0.429 430 A N 0.000 122.781 122.820 -0.066 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 430 A CB 0.000 19.003 19.000 0.005 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486