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 1g0r_1_C DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.611 176.600 0.018 0.000 0.988 2 K CA 0.000 56.291 56.287 0.007 0.000 0.838 2 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 3 R N 3.293 123.817 120.500 0.039 0.000 2.445 3 R HA 0.498 4.838 4.340 -0.000 0.000 0.308 3 R C -0.679 175.652 176.300 0.052 0.000 0.961 3 R CA -0.756 55.381 56.100 0.061 0.000 0.862 3 R CB 1.006 31.372 30.300 0.110 0.000 1.144 3 R HN 0.539 nan 8.270 nan 0.000 0.447 4 K N 1.303 121.736 120.400 0.055 0.000 2.110 4 K HA 0.398 4.718 4.320 -0.000 0.000 0.263 4 K C -0.068 176.650 176.600 0.197 0.000 0.975 4 K CA -0.720 55.627 56.287 0.101 0.000 0.895 4 K CB 1.904 34.393 32.500 -0.018 0.000 1.060 4 K HN 0.684 nan 8.250 nan 0.000 0.448 5 G N 1.716 110.654 108.800 0.231 0.000 2.400 5 G HA2 0.621 4.581 3.960 -0.000 0.000 0.333 5 G HA3 0.621 4.581 3.960 -0.000 0.000 0.333 5 G C -0.616 174.321 174.900 0.061 0.000 1.143 5 G CA -0.697 44.477 45.100 0.123 0.000 0.914 5 G HN 0.459 nan 8.290 nan 0.000 0.480 6 I N 1.229 121.783 120.570 -0.026 0.000 2.465 6 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 6 I C -0.562 175.489 176.117 -0.110 0.000 1.014 6 I CA -0.699 60.505 61.300 -0.161 0.000 1.093 6 I CB 2.388 40.264 38.000 -0.207 0.000 1.267 6 I HN 0.195 nan 8.210 nan 0.000 0.431 7 I N 6.522 127.004 120.570 -0.147 0.000 2.328 7 I HA 0.215 4.385 4.170 -0.000 0.000 0.287 7 I C -0.525 175.516 176.117 -0.126 0.000 1.012 7 I CA -0.684 60.560 61.300 -0.093 0.000 1.195 7 I CB 1.566 39.514 38.000 -0.086 0.000 1.350 7 I HN 0.335 nan 8.210 nan 0.000 0.464 8 L N 7.318 128.502 121.223 -0.065 0.000 2.334 8 L HA 0.407 4.747 4.340 -0.000 0.000 0.286 8 L C 0.678 177.527 176.870 -0.034 0.000 1.108 8 L CA 0.368 55.171 54.840 -0.062 0.000 0.875 8 L CB 0.650 42.693 42.059 -0.028 0.000 1.246 8 L HN 0.702 nan 8.230 nan 0.000 0.439 9 A N 4.061 126.824 122.820 -0.096 0.000 3.041 9 A HA 0.707 5.027 4.320 -0.000 0.000 0.307 9 A C 0.615 178.198 177.584 -0.001 0.000 1.116 9 A CA 0.133 52.123 52.037 -0.079 0.000 1.001 9 A CB -0.440 18.386 19.000 -0.291 0.000 1.112 9 A HN 0.734 nan 8.150 nan 0.000 0.556 10 G N -0.617 108.195 108.800 0.021 0.000 2.940 10 G HA2 0.731 4.691 3.960 -0.000 0.000 0.164 10 G HA3 0.731 4.691 3.960 -0.000 0.000 0.164 10 G C 0.419 175.354 174.900 0.059 0.000 1.326 10 G CA -0.403 44.730 45.100 0.054 0.000 1.020 10 G HN 1.719 nan 8.290 nan 0.000 0.586 11 G N -1.613 107.213 108.800 0.044 0.000 2.640 11 G HA2 0.404 4.364 3.960 -0.000 0.000 0.686 11 G HA3 0.404 4.364 3.960 -0.000 0.000 0.686 11 G C 0.000 174.911 174.900 0.018 0.000 1.229 11 G CA 0.354 45.470 45.100 0.027 0.000 0.796 11 G HN 1.878 nan 8.290 nan 0.000 0.654 12 S N -0.102 115.594 115.700 -0.007 0.000 2.560 12 S HA 0.510 4.980 4.470 -0.000 0.000 0.284 12 S C 1.478 176.028 174.600 -0.084 0.000 1.327 12 S CA 1.036 59.216 58.200 -0.033 0.000 1.055 12 S CB 1.425 64.594 63.200 -0.052 0.000 0.868 12 S HN 2.253 nan 8.310 nan 0.000 0.506 13 G N 2.086 110.813 108.800 -0.122 0.000 3.434 13 G HA2 0.191 4.151 3.960 -0.000 0.000 0.258 13 G HA3 0.191 4.151 3.960 -0.000 0.000 0.258 13 G C 0.885 175.179 174.900 -1.011 0.000 1.128 13 G CA 0.127 45.068 45.100 -0.264 0.000 0.792 13 G HN 0.793 nan 8.290 nan 0.000 0.539 14 T N 0.367 114.518 114.554 -0.672 0.000 2.720 14 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 14 T C 2.240 176.633 174.700 -0.512 0.000 1.037 14 T CA 1.218 62.927 62.100 -0.651 0.000 1.144 14 T CB -0.010 68.770 68.868 -0.147 0.000 0.864 14 T HN 0.425 nan 8.240 nan 0.000 0.444 15 R N 1.141 121.436 120.500 -0.342 0.000 2.127 15 R HA -0.041 4.299 4.340 -0.000 0.000 0.228 15 R C 1.998 178.186 176.300 -0.187 0.000 1.125 15 R CA 1.597 57.569 56.100 -0.212 0.000 0.904 15 R CB -0.544 29.642 30.300 -0.189 0.000 0.831 15 R HN 0.349 nan 8.270 nan 0.000 0.431 16 L N 0.829 121.917 121.223 -0.225 0.000 2.627 16 L HA 0.094 4.434 4.340 -0.000 0.000 0.233 16 L C 0.311 177.274 176.870 0.154 0.000 1.144 16 L CA -0.290 54.432 54.840 -0.196 0.000 0.892 16 L CB -0.718 41.210 42.059 -0.218 0.000 1.039 16 L HN 0.383 nan 8.230 nan 0.000 0.442 17 H N 1.733 120.830 119.070 0.046 0.000 3.152 17 H HA -0.075 4.481 4.556 -0.000 0.000 0.328 17 H C -1.216 174.192 175.328 0.134 0.000 1.032 17 H CA -0.895 55.198 56.048 0.076 0.000 1.337 17 H CB 0.511 30.297 29.762 0.041 0.000 1.256 17 H HN 0.037 nan 8.280 nan 0.000 0.599 18 P HA 0.018 nan 4.420 nan 0.000 0.249 18 P C 0.890 178.258 177.300 0.114 0.000 1.229 18 P CA 0.670 63.829 63.100 0.099 0.000 0.788 18 P CB 0.105 31.810 31.700 0.009 0.000 1.072 19 A N 1.259 124.190 122.820 0.185 0.000 1.892 19 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 19 A C 2.043 179.708 177.584 0.136 0.000 1.188 19 A CA 2.608 54.732 52.037 0.145 0.000 0.631 19 A CB -1.886 17.239 19.000 0.208 0.000 0.822 19 A HN 0.374 nan 8.150 nan 0.000 0.447 20 T N -2.006 112.676 114.554 0.213 0.000 3.169 20 T HA 0.337 4.687 4.350 -0.000 0.000 0.250 20 T C 1.393 176.232 174.700 0.231 0.000 1.111 20 T CA 0.332 62.555 62.100 0.204 0.000 1.010 20 T CB -0.155 68.813 68.868 0.166 0.000 0.984 20 T HN 0.301 nan 8.240 nan 0.000 0.537 21 L N 0.116 121.410 121.223 0.118 0.000 2.179 21 L HA 0.136 4.476 4.340 -0.000 0.000 0.208 21 L C 3.026 179.891 176.870 -0.009 0.000 1.096 21 L CA 1.109 55.912 54.840 -0.062 0.000 0.779 21 L CB -0.535 41.404 42.059 -0.199 0.000 0.922 21 L HN 0.421 nan 8.230 nan 0.000 0.443 22 A N 0.039 122.864 122.820 0.009 0.000 1.843 22 A HA 0.113 4.433 4.320 -0.000 0.000 0.213 22 A C 1.148 178.733 177.584 0.001 0.000 1.202 22 A CA 0.754 52.789 52.037 -0.002 0.000 0.607 22 A CB -0.044 18.953 19.000 -0.005 0.000 0.847 22 A HN 0.245 nan 8.150 nan 0.000 0.445 23 I N 0.322 120.901 120.570 0.015 0.000 2.466 23 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 23 I C 0.259 176.393 176.117 0.028 0.000 1.026 23 I CA -0.686 60.613 61.300 -0.001 0.000 1.078 23 I CB 2.056 40.049 38.000 -0.012 0.000 1.249 23 I HN 0.281 nan 8.210 nan 0.000 0.429 24 S N 5.326 121.039 115.700 0.022 0.000 2.558 24 S HA -0.032 4.438 4.470 -0.000 0.000 0.291 24 S C 1.304 175.946 174.600 0.069 0.000 1.306 24 S CA -0.041 58.197 58.200 0.064 0.000 1.056 24 S CB 0.882 64.140 63.200 0.097 0.000 0.836 24 S HN 0.860 nan 8.310 nan 0.000 0.504 25 K N 2.331 122.780 120.400 0.081 0.000 2.077 25 K HA -0.291 4.029 4.320 -0.000 0.000 0.213 25 K C 1.720 178.389 176.600 0.115 0.000 1.051 25 K CA 2.425 58.757 56.287 0.076 0.000 0.929 25 K CB -0.365 32.167 32.500 0.054 0.000 0.715 25 K HN 0.793 nan 8.250 nan 0.000 0.451 26 Q N 0.120 120.041 119.800 0.201 0.000 2.482 26 Q HA 0.064 4.404 4.340 -0.000 0.000 0.209 26 Q C 1.363 177.532 176.000 0.282 0.000 0.961 26 Q CA 0.608 56.587 55.803 0.293 0.000 0.945 26 Q CB 0.227 29.195 28.738 0.384 0.000 1.012 26 Q HN 0.386 nan 8.270 nan 0.000 0.515 27 L N -0.893 120.388 121.223 0.097 0.000 2.590 27 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 27 L C 0.148 177.008 176.870 -0.017 0.000 1.099 27 L CA -0.158 54.654 54.840 -0.046 0.000 0.872 27 L CB 0.196 42.112 42.059 -0.238 0.000 1.088 27 L HN 0.135 nan 8.230 nan 0.000 0.479 28 L N 1.064 122.300 121.223 0.020 0.000 2.439 28 L HA 0.219 4.559 4.340 -0.000 0.000 0.269 28 L C -2.096 174.787 176.870 0.021 0.000 1.179 28 L CA -1.833 53.015 54.840 0.014 0.000 0.828 28 L CB -0.027 42.050 42.059 0.030 0.000 1.106 28 L HN -0.205 nan 8.230 nan 0.000 0.467 29 P HA 0.136 nan 4.420 nan 0.000 0.274 29 P C -0.965 176.368 177.300 0.054 0.000 1.231 29 P CA -0.317 62.795 63.100 0.020 0.000 0.790 29 P CB 0.939 32.631 31.700 -0.013 0.000 0.951 30 V N 4.504 124.484 119.914 0.110 0.000 2.304 30 V HA 0.173 4.293 4.120 -0.000 0.000 0.278 30 V C 0.335 176.563 176.094 0.223 0.000 1.018 30 V CA 0.014 62.356 62.300 0.070 0.000 0.814 30 V CB -0.441 31.283 31.823 -0.165 0.000 1.021 30 V HN 0.683 nan 8.190 nan 0.000 0.440 31 Y N 4.623 124.938 120.300 0.026 0.000 2.730 31 Y HA -0.433 4.117 4.550 -0.000 0.000 0.479 31 Y C 1.387 177.306 175.900 0.031 0.000 1.088 31 Y CA 2.651 60.769 58.100 0.030 0.000 2.941 31 Y CB -0.937 37.549 38.460 0.044 0.000 1.051 31 Y HN 0.747 nan 8.280 nan 0.000 0.592 32 D N 0.825 121.146 120.400 -0.133 0.000 2.520 32 D HA 0.218 4.858 4.640 -0.000 0.000 0.223 32 D C -0.043 176.155 176.300 -0.170 0.000 1.186 32 D CA 0.581 54.378 54.000 -0.338 0.000 0.821 32 D CB 0.212 40.725 40.800 -0.478 0.000 1.072 32 D HN 0.690 nan 8.370 nan 0.000 0.518 33 K N -0.643 119.714 120.400 -0.071 0.000 2.551 33 K HA 0.573 4.893 4.320 -0.000 0.000 0.269 33 K C -3.394 173.100 176.600 -0.177 0.000 0.949 33 K CA -1.955 54.175 56.287 -0.262 0.000 0.849 33 K CB 1.730 34.035 32.500 -0.324 0.000 1.411 33 K HN -0.365 nan 8.250 nan 0.000 0.432 34 P HA -0.048 nan 4.420 nan 0.000 0.265 34 P C 0.590 177.949 177.300 0.098 0.000 1.187 34 P CA -0.060 62.937 63.100 -0.170 0.000 0.766 34 P CB 0.450 31.992 31.700 -0.263 0.000 0.820 35 M N 3.593 123.317 119.600 0.207 0.000 2.106 35 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 35 M C 1.694 178.261 176.300 0.445 0.000 1.068 35 M CA 1.905 57.404 55.300 0.332 0.000 1.100 35 M CB -0.431 32.282 32.600 0.188 0.000 1.351 35 M HN 0.323 nan 8.290 nan 0.000 0.404 36 I N -0.344 120.469 120.570 0.405 0.000 2.567 36 I HA -0.304 3.866 4.170 -0.000 0.000 0.257 36 I C 1.439 177.848 176.117 0.487 0.000 1.184 36 I CA 1.018 62.573 61.300 0.426 0.000 1.451 36 I CB -0.167 38.120 38.000 0.478 0.000 1.089 36 I HN 0.289 nan 8.210 nan 0.000 0.441 37 Y N 0.290 120.731 120.300 0.234 0.000 2.241 37 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 37 Y C 2.155 178.083 175.900 0.045 0.000 1.166 37 Y CA 1.359 59.510 58.100 0.085 0.000 1.203 37 Y CB -1.322 37.075 38.460 -0.106 0.000 0.977 37 Y HN 0.287 nan 8.280 nan 0.000 0.529 38 Y N -0.308 120.188 120.300 0.327 0.000 2.130 38 Y HA -0.126 4.424 4.550 -0.000 0.000 0.287 38 Y C 0.008 176.068 175.900 0.267 0.000 1.124 38 Y CA 1.320 59.580 58.100 0.267 0.000 1.118 38 Y CB -2.086 36.502 38.460 0.214 0.000 0.994 38 Y HN 0.062 nan 8.280 nan 0.000 0.497 39 P HA -0.170 nan 4.420 nan 0.000 0.216 39 P C 1.866 179.312 177.300 0.244 0.000 1.153 39 P CA 1.207 64.498 63.100 0.318 0.000 0.848 39 P CB -0.089 31.767 31.700 0.259 0.000 0.787 40 L N 1.244 122.603 121.223 0.226 0.000 1.990 40 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 40 L C 2.572 179.548 176.870 0.176 0.000 1.072 40 L CA 2.905 57.856 54.840 0.184 0.000 0.755 40 L CB -1.770 40.406 42.059 0.196 0.000 0.889 40 L HN 0.063 nan 8.230 nan 0.000 0.432 41 S N -2.432 113.370 115.700 0.169 0.000 2.383 41 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 41 S C 1.885 176.609 174.600 0.206 0.000 1.030 41 S CA 1.714 60.007 58.200 0.155 0.000 1.002 41 S CB -1.324 61.949 63.200 0.122 0.000 0.829 41 S HN 0.601 nan 8.310 nan 0.000 0.467 42 T N 3.178 117.889 114.554 0.263 0.000 2.684 42 T HA 0.050 4.400 4.350 -0.000 0.000 0.267 42 T C 1.746 176.525 174.700 0.131 0.000 1.036 42 T CA 1.666 63.921 62.100 0.258 0.000 1.148 42 T CB -0.596 68.457 68.868 0.309 0.000 0.863 42 T HN 0.354 nan 8.240 nan 0.000 0.436 43 L N 0.163 121.465 121.223 0.131 0.000 2.042 43 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 43 L C 2.708 179.687 176.870 0.182 0.000 1.076 43 L CA 1.404 56.310 54.840 0.110 0.000 0.749 43 L CB -0.610 41.505 42.059 0.092 0.000 0.893 43 L HN 0.322 nan 8.230 nan 0.000 0.432 44 M N -0.558 119.178 119.600 0.226 0.000 2.117 44 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 44 M C 2.237 178.665 176.300 0.212 0.000 1.065 44 M CA 1.765 57.266 55.300 0.334 0.000 1.114 44 M CB -0.379 32.399 32.600 0.297 0.000 1.361 44 M HN 0.204 nan 8.290 nan 0.000 0.408 45 L N -0.346 120.953 121.223 0.128 0.000 2.275 45 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 45 L C 2.328 179.250 176.870 0.087 0.000 1.119 45 L CA 0.487 55.384 54.840 0.094 0.000 0.790 45 L CB -0.553 41.562 42.059 0.093 0.000 0.919 45 L HN 0.269 nan 8.230 nan 0.000 0.443 46 A N -0.512 122.353 122.820 0.075 0.000 2.278 46 A HA 0.342 4.662 4.320 -0.000 0.000 0.212 46 A C 1.656 179.341 177.584 0.169 0.000 1.213 46 A CA 0.602 52.682 52.037 0.072 0.000 0.840 46 A CB -0.444 18.645 19.000 0.148 0.000 0.866 46 A HN 0.475 nan 8.150 nan 0.000 0.489 47 G N -0.741 108.225 108.800 0.278 0.000 2.136 47 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 47 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 47 G C -0.002 175.140 174.900 0.402 0.000 0.989 47 G CA 0.294 45.648 45.100 0.422 0.000 0.682 47 G HN 0.486 nan 8.290 nan 0.000 0.522 48 I N -0.185 120.580 120.570 0.325 0.000 2.336 48 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 48 I C 1.408 177.550 176.117 0.042 0.000 0.991 48 I CA -0.772 60.617 61.300 0.149 0.000 1.227 48 I CB 1.414 39.490 38.000 0.126 0.000 1.366 48 I HN 0.061 nan 8.210 nan 0.000 0.466 49 R N 3.044 123.454 120.500 -0.149 0.000 2.316 49 R HA 0.140 4.480 4.340 -0.000 0.000 0.201 49 R C 0.273 176.506 176.300 -0.112 0.000 0.888 49 R CA 0.047 55.965 56.100 -0.302 0.000 1.041 49 R CB 0.580 30.511 30.300 -0.615 0.000 1.115 49 R HN 0.541 nan 8.270 nan 0.000 0.559 50 E N 1.805 121.987 120.200 -0.029 0.000 2.073 50 E HA 0.330 4.680 4.350 -0.000 0.000 0.269 50 E C -1.127 175.607 176.600 0.223 0.000 0.917 50 E CA -0.225 56.214 56.400 0.064 0.000 0.757 50 E CB 0.656 30.362 29.700 0.010 0.000 1.111 50 E HN 0.064 nan 8.360 nan 0.000 0.410 51 I N 4.615 125.274 120.570 0.149 0.000 2.582 51 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 51 I C -1.087 174.855 176.117 -0.292 0.000 1.066 51 I CA -1.209 60.101 61.300 0.017 0.000 1.053 51 I CB 1.882 39.865 38.000 -0.027 0.000 1.241 51 I HN 0.460 nan 8.210 nan 0.000 0.421 52 L N 7.649 128.471 121.223 -0.668 0.000 2.287 52 L HA 0.570 4.910 4.340 -0.000 0.000 0.287 52 L C -0.789 175.742 176.870 -0.565 0.000 1.022 52 L CA 0.004 54.298 54.840 -0.910 0.000 0.814 52 L CB 0.857 41.944 42.059 -1.619 0.000 1.217 52 L HN 0.383 nan 8.230 nan 0.000 0.420 53 I N 6.750 126.999 120.570 -0.534 0.000 2.312 53 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 53 I C -0.334 175.621 176.117 -0.270 0.000 1.008 53 I CA -0.328 60.739 61.300 -0.388 0.000 1.226 53 I CB 0.945 38.702 38.000 -0.405 0.000 1.371 53 I HN 0.514 nan 8.210 nan 0.000 0.468 54 I N 5.712 126.139 120.570 -0.238 0.000 2.315 54 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 54 I C 0.389 176.422 176.117 -0.140 0.000 1.006 54 I CA 0.259 61.465 61.300 -0.157 0.000 1.265 54 I CB 1.513 39.421 38.000 -0.154 0.000 1.387 54 I HN 0.551 nan 8.210 nan 0.000 0.475 55 S N 3.354 119.021 115.700 -0.055 0.000 2.851 55 S HA 0.562 5.032 4.470 -0.000 0.000 0.317 55 S C -0.112 174.528 174.600 0.067 0.000 1.144 55 S CA -0.500 57.712 58.200 0.019 0.000 0.862 55 S CB 1.539 64.819 63.200 0.134 0.000 1.259 55 S HN 0.712 nan 8.310 nan 0.000 0.564 56 T N 0.852 115.471 114.554 0.108 0.000 2.802 56 T HA 0.318 4.668 4.350 -0.000 0.000 0.305 56 T C -2.059 172.690 174.700 0.081 0.000 1.053 56 T CA -0.855 61.295 62.100 0.082 0.000 1.058 56 T CB 0.039 68.959 68.868 0.085 0.000 0.988 56 T HN 0.337 nan 8.240 nan 0.000 0.539 57 P HA -0.109 nan 4.420 nan 0.000 0.215 57 P C 1.625 178.953 177.300 0.048 0.000 1.157 57 P CA 1.159 64.287 63.100 0.046 0.000 0.868 57 P CB -0.012 31.708 31.700 0.032 0.000 0.788 58 Q N -0.543 119.285 119.800 0.047 0.000 2.084 58 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 58 Q C 1.800 177.826 176.000 0.043 0.000 0.978 58 Q CA 1.518 57.342 55.803 0.036 0.000 0.844 58 Q CB -0.918 27.838 28.738 0.031 0.000 0.898 58 Q HN 0.296 nan 8.270 nan 0.000 0.426 59 D N -0.786 119.668 120.400 0.089 0.000 2.277 59 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 59 D C 1.460 177.889 176.300 0.215 0.000 0.962 59 D CA 0.879 54.952 54.000 0.122 0.000 0.865 59 D CB -0.043 40.901 40.800 0.240 0.000 0.939 59 D HN 0.226 nan 8.370 nan 0.000 0.510 60 T N 1.688 116.361 114.554 0.198 0.000 2.684 60 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 60 T C -0.896 173.820 174.700 0.026 0.000 1.036 60 T CA 1.186 63.394 62.100 0.180 0.000 1.148 60 T CB -1.050 67.885 68.868 0.111 0.000 0.863 60 T HN 0.216 nan 8.240 nan 0.000 0.436 61 P HA -0.070 nan 4.420 nan 0.000 0.218 61 P C 1.380 178.625 177.300 -0.092 0.000 1.148 61 P CA 1.268 64.317 63.100 -0.085 0.000 0.822 61 P CB -0.087 31.579 31.700 -0.056 0.000 0.784 62 R N -1.482 118.970 120.500 -0.081 0.000 2.073 62 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 62 R C 2.431 178.640 176.300 -0.152 0.000 1.120 62 R CA 1.130 57.135 56.100 -0.157 0.000 0.967 62 R CB -0.819 29.319 30.300 -0.270 0.000 0.862 62 R HN 0.193 nan 8.270 nan 0.000 0.436 63 F N 1.366 121.302 119.950 -0.024 0.000 2.186 63 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 63 F C 2.556 178.328 175.800 -0.046 0.000 1.090 63 F CA 1.255 59.284 58.000 0.047 0.000 1.307 63 F CB -0.016 39.079 39.000 0.158 0.000 1.019 63 F HN 0.052 nan 8.300 nan 0.000 0.489 64 Q N -0.288 119.413 119.800 -0.166 0.000 2.119 64 Q HA -0.260 4.080 4.340 -0.000 0.000 0.201 64 Q C 2.189 178.094 176.000 -0.158 0.000 0.972 64 Q CA 1.444 57.006 55.803 -0.402 0.000 0.847 64 Q CB -0.300 28.091 28.738 -0.577 0.000 0.903 64 Q HN 0.526 nan 8.270 nan 0.000 0.433 65 Q N 0.566 120.303 119.800 -0.105 0.000 2.079 65 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 65 Q C 2.071 178.056 176.000 -0.024 0.000 0.974 65 Q CA 0.890 56.653 55.803 -0.066 0.000 0.840 65 Q CB 0.016 28.715 28.738 -0.066 0.000 0.898 65 Q HN 0.303 nan 8.270 nan 0.000 0.430 66 L N 0.097 121.326 121.223 0.011 0.000 2.056 66 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 66 L C 1.740 178.667 176.870 0.095 0.000 1.078 66 L CA 1.736 56.623 54.840 0.079 0.000 0.749 66 L CB -0.088 42.052 42.059 0.135 0.000 0.901 66 L HN 0.313 nan 8.230 nan 0.000 0.433 67 L N -1.913 119.365 121.223 0.091 0.000 2.537 67 L HA 0.430 4.770 4.340 -0.000 0.000 0.224 67 L C 1.383 178.183 176.870 -0.118 0.000 1.065 67 L CA 0.193 55.023 54.840 -0.016 0.000 0.860 67 L CB -0.484 41.679 42.059 0.174 0.000 1.086 67 L HN 0.423 nan 8.230 nan 0.000 0.482 68 G N 2.063 110.855 108.800 -0.013 0.000 2.569 68 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.259 68 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.259 68 G C 0.189 175.147 174.900 0.096 0.000 1.263 68 G CA 0.357 45.444 45.100 -0.022 0.000 0.928 68 G HN 0.483 nan 8.290 nan 0.000 0.572 69 D N 0.435 120.854 120.400 0.031 0.000 2.349 69 D HA 0.367 5.007 4.640 -0.000 0.000 0.224 69 D C 1.903 178.191 176.300 -0.021 0.000 1.029 69 D CA 1.428 55.461 54.000 0.055 0.000 0.879 69 D CB -0.326 40.495 40.800 0.035 0.000 0.906 69 D HN 2.224 nan 8.370 nan 0.000 0.528 70 G N 0.238 108.971 108.800 -0.113 0.000 2.253 70 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.251 70 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.251 70 G C 1.388 176.233 174.900 -0.091 0.000 0.998 70 G CA 1.029 46.044 45.100 -0.142 0.000 0.621 70 G HN 0.683 nan 8.290 nan 0.000 0.524 71 S N 0.879 116.540 115.700 -0.065 0.000 2.383 71 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 71 S C 1.861 176.473 174.600 0.020 0.000 1.030 71 S CA 1.647 59.840 58.200 -0.011 0.000 1.002 71 S CB -0.380 62.814 63.200 -0.009 0.000 0.829 71 S HN 0.481 nan 8.310 nan 0.000 0.467 72 N N 0.256 118.932 118.700 -0.041 0.000 2.519 72 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 72 N C 0.055 175.726 175.510 0.269 0.000 1.062 72 N CA 0.863 53.936 53.050 0.039 0.000 0.910 72 N CB -0.294 38.151 38.487 -0.069 0.000 0.958 72 N HN 0.652 nan 8.380 nan 0.000 0.445 73 W N -0.343 121.006 121.300 0.082 0.000 2.846 73 W HA 0.431 5.091 4.660 -0.000 0.000 0.391 73 W C 1.064 177.678 176.519 0.159 0.000 1.011 73 W CA -0.441 56.972 57.345 0.114 0.000 1.832 73 W CB -0.697 28.819 29.460 0.095 0.000 1.151 73 W HN 0.009 nan 8.180 nan 0.000 0.582 74 G N 1.388 110.358 108.800 0.283 0.000 2.179 74 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 74 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 74 G C -0.037 174.878 174.900 0.024 0.000 1.010 74 G CA 0.312 45.511 45.100 0.165 0.000 0.736 74 G HN 0.191 nan 8.290 nan 0.000 0.513 75 L N -0.714 120.548 121.223 0.066 0.000 2.331 75 L HA 0.707 5.047 4.340 -0.000 0.000 0.268 75 L C -0.283 176.569 176.870 -0.029 0.000 1.015 75 L CA -1.080 53.756 54.840 -0.008 0.000 0.807 75 L CB 1.557 43.678 42.059 0.103 0.000 1.293 75 L HN 0.087 nan 8.230 nan 0.000 0.451 76 D N 1.835 122.212 120.400 -0.039 0.000 2.446 76 D HA 0.393 5.033 4.640 -0.000 0.000 0.251 76 D C -1.028 175.265 176.300 -0.013 0.000 1.137 76 D CA -0.242 53.746 54.000 -0.018 0.000 0.890 76 D CB 0.546 41.335 40.800 -0.019 0.000 1.071 76 D HN 0.259 nan 8.370 nan 0.000 0.528 77 L N 2.473 123.670 121.223 -0.044 0.000 2.307 77 L HA 0.494 4.834 4.340 -0.000 0.000 0.282 77 L C 0.493 177.238 176.870 -0.209 0.000 1.051 77 L CA -0.612 54.128 54.840 -0.165 0.000 0.804 77 L CB 1.489 43.430 42.059 -0.198 0.000 1.197 77 L HN 0.232 nan 8.230 nan 0.000 0.431 78 Q N 1.469 121.030 119.800 -0.397 0.000 2.484 78 Q HA 0.575 4.915 4.340 -0.000 0.000 0.285 78 Q C -1.829 173.780 176.000 -0.651 0.000 1.097 78 Q CA -0.752 54.883 55.803 -0.280 0.000 0.802 78 Q CB 3.052 31.762 28.738 -0.048 0.000 1.444 78 Q HN 0.349 nan 8.270 nan 0.000 0.429 79 Y N -0.415 119.838 120.300 -0.077 0.000 2.462 79 Y HA 0.830 5.380 4.550 -0.000 0.000 0.346 79 Y C -0.353 175.498 175.900 -0.080 0.000 0.976 79 Y CA -0.780 57.269 58.100 -0.084 0.000 1.044 79 Y CB 2.340 40.781 38.460 -0.031 0.000 1.230 79 Y HN 0.681 nan 8.280 nan 0.000 0.455 80 A N 1.279 124.119 122.820 0.034 0.000 2.594 80 A HA 0.860 5.180 4.320 -0.000 0.000 0.291 80 A C -1.955 175.634 177.584 0.009 0.000 1.105 80 A CA -0.747 51.293 52.037 0.005 0.000 0.694 80 A CB 1.343 20.312 19.000 -0.052 0.000 1.291 80 A HN 0.460 nan 8.150 nan 0.000 0.410 81 V N 0.758 120.678 119.914 0.010 0.000 2.667 81 V HA 0.570 4.690 4.120 -0.000 0.000 0.308 81 V C -0.175 175.919 176.094 0.001 0.000 1.048 81 V CA -0.396 61.914 62.300 0.017 0.000 0.928 81 V CB 1.728 33.568 31.823 0.028 0.000 1.004 81 V HN 0.895 nan 8.190 nan 0.000 0.444 82 Q N 5.229 125.031 119.800 0.004 0.000 2.381 82 Q HA 0.369 4.709 4.340 -0.000 0.000 0.263 82 Q C -2.051 173.956 176.000 0.012 0.000 1.030 82 Q CA -1.700 54.102 55.803 -0.000 0.000 0.772 82 Q CB 2.241 30.974 28.738 -0.009 0.000 1.232 82 Q HN 0.448 nan 8.270 nan 0.000 0.476 83 P HA -0.096 nan 4.420 nan 0.000 0.216 83 P C -0.182 177.128 177.300 0.017 0.000 1.150 83 P CA 0.836 63.945 63.100 0.016 0.000 0.837 83 P CB 0.354 32.062 31.700 0.013 0.000 0.786 84 S N -1.608 114.100 115.700 0.014 0.000 2.548 84 S HA 0.450 4.920 4.470 -0.000 0.000 0.276 84 S C -2.878 171.729 174.600 0.011 0.000 1.129 84 S CA -1.850 56.358 58.200 0.014 0.000 0.931 84 S CB 1.177 64.384 63.200 0.012 0.000 1.068 84 S HN -0.199 nan 8.310 nan 0.000 0.480 85 P HA 0.302 nan 4.420 nan 0.000 0.237 85 P C -0.728 176.578 177.300 0.010 0.000 1.788 85 P CA -0.128 62.978 63.100 0.011 0.000 1.061 85 P CB -0.222 31.486 31.700 0.012 0.000 1.967 86 D N 1.344 121.750 120.400 0.009 0.000 2.395 86 D HA 0.327 4.967 4.640 -0.000 0.000 0.226 86 D C 1.100 177.406 176.300 0.011 0.000 1.146 86 D CA 0.489 54.494 54.000 0.009 0.000 0.830 86 D CB 0.212 41.016 40.800 0.007 0.000 0.958 86 D HN 0.401 nan 8.370 nan 0.000 0.501 87 G N -0.073 108.735 108.800 0.014 0.000 2.535 87 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.662 87 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.662 87 G C 0.501 175.414 174.900 0.021 0.000 1.417 87 G CA -0.897 44.216 45.100 0.021 0.000 0.866 87 G HN 0.113 nan 8.290 nan 0.000 0.647 88 L N 1.091 122.334 121.223 0.035 0.000 2.079 88 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 88 L C 3.184 180.074 176.870 0.033 0.000 1.081 88 L CA 2.098 56.959 54.840 0.036 0.000 0.752 88 L CB -0.563 41.533 42.059 0.061 0.000 0.896 88 L HN 0.869 nan 8.230 nan 0.000 0.433 89 A N -0.624 122.232 122.820 0.059 0.000 2.125 89 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 89 A C 2.203 179.855 177.584 0.114 0.000 1.156 89 A CA 1.086 53.204 52.037 0.135 0.000 0.671 89 A CB -0.377 18.664 19.000 0.067 0.000 0.794 89 A HN 0.486 nan 8.150 nan 0.000 0.459 90 Q N -0.725 119.092 119.800 0.030 0.000 2.291 90 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 90 Q C 2.335 178.300 176.000 -0.058 0.000 0.976 90 Q CA 0.969 56.773 55.803 0.002 0.000 0.875 90 Q CB -0.368 28.365 28.738 -0.008 0.000 0.927 90 Q HN 0.735 nan 8.270 nan 0.000 0.450 91 A N 0.288 123.019 122.820 -0.149 0.000 1.986 91 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 91 A C 1.542 178.854 177.584 -0.453 0.000 1.171 91 A CA 1.264 53.101 52.037 -0.332 0.000 0.640 91 A CB -0.673 18.036 19.000 -0.486 0.000 0.811 91 A HN 0.361 nan 8.150 nan 0.000 0.451 92 F N -0.687 119.247 119.950 -0.028 0.000 2.710 92 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 92 F C 1.850 177.643 175.800 -0.012 0.000 1.137 92 F CA 0.376 58.362 58.000 -0.024 0.000 1.444 92 F CB -0.009 38.945 39.000 -0.076 0.000 1.111 92 F HN 0.109 nan 8.300 nan 0.000 0.580 93 L N -0.726 120.546 121.223 0.081 0.000 2.130 93 L HA -0.048 4.292 4.340 -0.000 0.000 0.200 93 L C 2.222 179.107 176.870 0.025 0.000 1.075 93 L CA 0.865 55.737 54.840 0.054 0.000 0.768 93 L CB -0.540 41.540 42.059 0.035 0.000 0.933 93 L HN 0.053 nan 8.230 nan 0.000 0.451 94 I N 0.486 121.049 120.570 -0.011 0.000 2.208 94 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 94 I C 2.191 178.299 176.117 -0.014 0.000 1.097 94 I CA 1.652 62.938 61.300 -0.024 0.000 1.363 94 I CB -0.604 37.363 38.000 -0.055 0.000 1.051 94 I HN 0.275 nan 8.210 nan 0.000 0.413 95 G N -0.310 108.470 108.800 -0.032 0.000 3.181 95 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.219 95 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.219 95 G C 1.286 176.280 174.900 0.156 0.000 1.182 95 G CA -0.036 45.086 45.100 0.036 0.000 0.791 95 G HN 0.425 nan 8.290 nan 0.000 0.537 96 E N 1.401 121.669 120.200 0.113 0.000 2.038 96 E HA -0.226 4.123 4.350 -0.000 0.000 0.195 96 E C 2.673 179.336 176.600 0.105 0.000 1.000 96 E CA 1.783 58.251 56.400 0.114 0.000 0.803 96 E CB -0.075 29.670 29.700 0.076 0.000 0.750 96 E HN 0.492 nan 8.360 nan 0.000 0.448 97 S N 0.082 115.842 115.700 0.099 0.000 2.368 97 S HA -0.196 4.273 4.470 -0.000 0.000 0.224 97 S C 1.950 176.605 174.600 0.093 0.000 1.029 97 S CA 1.016 59.264 58.200 0.080 0.000 0.988 97 S CB -0.816 62.426 63.200 0.069 0.000 0.838 97 S HN 0.474 nan 8.310 nan 0.000 0.462 98 F N 2.565 122.515 119.950 -0.000 0.000 2.095 98 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 98 F C 1.957 177.760 175.800 0.006 0.000 1.104 98 F CA 1.400 59.396 58.000 -0.007 0.000 1.232 98 F CB -0.380 38.604 39.000 -0.026 0.000 0.987 98 F HN 0.135 nan 8.300 nan 0.000 0.475 99 I N 0.190 120.785 120.570 0.042 0.000 2.315 99 I HA -0.067 4.103 4.170 -0.000 0.000 0.248 99 I C 2.036 178.099 176.117 -0.090 0.000 1.117 99 I CA 0.844 62.120 61.300 -0.039 0.000 1.404 99 I CB -1.341 36.760 38.000 0.169 0.000 1.071 99 I HN 0.494 nan 8.210 nan 0.000 0.419 100 G N 1.395 110.170 108.800 -0.042 0.000 2.596 100 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.295 100 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.295 100 G C 0.466 175.357 174.900 -0.016 0.000 1.240 100 G CA 0.598 45.674 45.100 -0.040 0.000 0.985 100 G HN 0.338 nan 8.290 nan 0.000 0.555 101 N N 2.322 121.007 118.700 -0.025 0.000 2.268 101 N HA 0.192 4.932 4.740 -0.000 0.000 0.204 101 N C -0.078 175.430 175.510 -0.003 0.000 1.124 101 N CA 0.544 53.588 53.050 -0.008 0.000 0.838 101 N CB 0.068 38.548 38.487 -0.011 0.000 0.994 101 N HN 0.480 nan 8.380 nan 0.000 0.489 102 D N 0.159 120.550 120.400 -0.014 0.000 2.387 102 D HA 0.221 4.861 4.640 -0.000 0.000 0.251 102 D C 0.881 177.207 176.300 0.043 0.000 1.141 102 D CA -0.385 53.614 54.000 -0.002 0.000 0.987 102 D CB 1.469 42.244 40.800 -0.042 0.000 1.116 102 D HN -0.068 nan 8.370 nan 0.000 0.491 103 L N 0.492 121.749 121.223 0.056 0.000 2.467 103 L HA 0.207 4.547 4.340 -0.000 0.000 0.270 103 L C 0.958 177.902 176.870 0.123 0.000 1.205 103 L CA 0.138 55.037 54.840 0.099 0.000 0.828 103 L CB 0.265 42.379 42.059 0.092 0.000 1.101 103 L HN 0.428 nan 8.230 nan 0.000 0.479 104 S N 0.530 116.340 115.700 0.183 0.000 2.661 104 S HA 0.929 5.399 4.470 -0.000 0.000 0.285 104 S C -0.931 173.759 174.600 0.150 0.000 1.138 104 S CA -0.630 57.699 58.200 0.215 0.000 0.855 104 S CB 2.252 65.658 63.200 0.344 0.000 1.136 104 S HN 0.826 nan 8.310 nan 0.000 0.484 105 A N 0.476 123.332 122.820 0.059 0.000 2.486 105 A HA 0.787 5.107 4.320 -0.000 0.000 0.300 105 A C -1.566 176.016 177.584 -0.004 0.000 1.048 105 A CA -0.647 51.261 52.037 -0.213 0.000 0.696 105 A CB 1.511 20.096 19.000 -0.692 0.000 1.278 105 A HN 1.239 nan 8.150 nan 0.000 0.405 106 L N 2.560 123.838 121.223 0.091 0.000 2.341 106 L HA 0.837 5.177 4.340 -0.000 0.000 0.278 106 L C -1.116 175.842 176.870 0.148 0.000 1.005 106 L CA -0.588 54.361 54.840 0.182 0.000 0.818 106 L CB 1.737 44.044 42.059 0.415 0.000 1.259 106 L HN 0.710 nan 8.230 nan 0.000 0.418 107 V N 6.058 126.032 119.914 0.099 0.000 2.735 107 V HA 0.533 4.653 4.120 -0.000 0.000 0.310 107 V C -0.419 175.774 176.094 0.164 0.000 1.061 107 V CA -0.768 61.608 62.300 0.128 0.000 0.913 107 V CB 2.126 34.013 31.823 0.107 0.000 1.005 107 V HN 0.747 nan 8.190 nan 0.000 0.428 108 L N 5.365 126.719 121.223 0.218 0.000 2.397 108 L HA 0.382 4.722 4.340 -0.000 0.000 0.271 108 L C 1.753 178.721 176.870 0.164 0.000 1.148 108 L CA 0.455 55.413 54.840 0.198 0.000 0.825 108 L CB 0.929 43.135 42.059 0.244 0.000 1.117 108 L HN 0.825 nan 8.230 nan 0.000 0.456 109 G N 0.844 109.715 108.800 0.118 0.000 2.534 109 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 109 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 109 G C 0.761 175.742 174.900 0.136 0.000 1.128 109 G CA 0.521 45.690 45.100 0.114 0.000 0.784 109 G HN 0.856 nan 8.290 nan 0.000 0.542 110 D N -0.738 119.728 120.400 0.110 0.000 2.424 110 D HA 0.038 4.678 4.640 -0.000 0.000 0.220 110 D C 0.077 176.385 176.300 0.013 0.000 1.150 110 D CA -0.520 53.519 54.000 0.064 0.000 0.831 110 D CB -0.639 40.184 40.800 0.038 0.000 0.981 110 D HN 0.146 nan 8.370 nan 0.000 0.500 111 N N 0.599 119.337 118.700 0.064 0.000 2.421 111 N HA 0.383 5.123 4.740 -0.000 0.000 0.285 111 N C -1.218 174.271 175.510 -0.034 0.000 1.027 111 N CA -0.598 52.449 53.050 -0.005 0.000 0.918 111 N CB 2.159 40.756 38.487 0.183 0.000 1.152 111 N HN 0.087 nan 8.380 nan 0.000 0.485 112 L N 3.627 124.703 121.223 -0.244 0.000 2.349 112 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 112 L C -1.493 175.215 176.870 -0.270 0.000 0.996 112 L CA -0.648 54.096 54.840 -0.159 0.000 0.825 112 L CB 0.684 42.572 42.059 -0.287 0.000 1.243 112 L HN 0.511 nan 8.230 nan 0.000 0.412 113 Y N 3.836 124.168 120.300 0.054 0.000 2.509 113 Y HA 0.585 5.135 4.550 -0.000 0.000 0.341 113 Y C -1.001 174.821 175.900 -0.130 0.000 1.038 113 Y CA -0.518 57.499 58.100 -0.139 0.000 1.089 113 Y CB 1.968 40.162 38.460 -0.444 0.000 1.241 113 Y HN 0.436 nan 8.280 nan 0.000 0.468 114 Y N 0.278 120.486 120.300 -0.154 0.000 2.424 114 Y HA 0.620 5.170 4.550 -0.000 0.000 0.323 114 Y C -0.507 175.480 175.900 0.145 0.000 1.174 114 Y CA -0.684 57.407 58.100 -0.015 0.000 1.060 114 Y CB 1.937 40.514 38.460 0.194 0.000 1.314 114 Y HN 0.777 nan 8.280 nan 0.000 0.439 115 G N 2.502 111.073 108.800 -0.382 0.000 2.340 115 G HA2 0.249 4.209 3.960 -0.000 0.000 0.298 115 G HA3 0.249 4.209 3.960 -0.000 0.000 0.298 115 G C -2.179 172.686 174.900 -0.060 0.000 1.498 115 G CA -1.165 43.884 45.100 -0.084 0.000 0.847 115 G HN 0.887 nan 8.290 nan 0.000 0.594 116 H N 0.573 119.544 119.070 -0.165 0.000 3.070 116 H HA 0.356 4.912 4.556 -0.000 0.000 0.313 116 H C 0.691 176.059 175.328 0.067 0.000 0.997 116 H CA 1.859 57.869 56.048 -0.064 0.000 1.438 116 H CB 0.532 30.242 29.762 -0.086 0.000 1.455 116 H HN 0.593 nan 8.280 nan 0.000 0.575 117 D N 3.032 123.127 120.400 -0.508 0.000 3.012 117 D HA -0.279 4.361 4.640 -0.000 0.000 0.222 117 D C 0.808 177.180 176.300 0.120 0.000 1.167 117 D CA 0.995 54.849 54.000 -0.243 0.000 0.854 117 D CB -1.763 38.816 40.800 -0.369 0.000 1.107 117 D HN 0.537 nan 8.370 nan 0.000 0.421 118 F N 0.606 120.601 119.950 0.075 0.000 2.202 118 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 118 F C 2.284 178.031 175.800 -0.087 0.000 1.082 118 F CA 2.350 60.358 58.000 0.013 0.000 1.313 118 F CB -0.337 38.671 39.000 0.013 0.000 1.024 118 F HN 0.283 nan 8.300 nan 0.000 0.495 119 H N 0.306 119.313 119.070 -0.105 0.000 2.265 119 H HA -0.217 4.339 4.556 -0.000 0.000 0.293 119 H C 2.090 177.304 175.328 -0.190 0.000 1.089 119 H CA 2.701 58.642 56.048 -0.178 0.000 1.244 119 H CB -0.453 29.253 29.762 -0.094 0.000 1.355 119 H HN 0.288 nan 8.280 nan 0.000 0.485 120 E N -0.216 119.819 120.200 -0.275 0.000 2.077 120 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 120 E C 2.299 178.755 176.600 -0.239 0.000 0.989 120 E CA 1.063 57.319 56.400 -0.241 0.000 0.800 120 E CB -0.416 29.236 29.700 -0.079 0.000 0.746 120 E HN 0.414 nan 8.360 nan 0.000 0.452 121 L N 0.349 121.451 121.223 -0.200 0.000 1.994 121 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 121 L C 1.937 178.616 176.870 -0.318 0.000 1.071 121 L CA 1.648 56.371 54.840 -0.194 0.000 0.745 121 L CB -0.452 41.492 42.059 -0.192 0.000 0.892 121 L HN 0.161 nan 8.230 nan 0.000 0.431 122 L N -0.665 120.239 121.223 -0.531 0.000 2.042 122 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 122 L C 2.543 179.144 176.870 -0.448 0.000 1.076 122 L CA 1.379 55.909 54.840 -0.517 0.000 0.749 122 L CB -1.452 40.260 42.059 -0.580 0.000 0.893 122 L HN 0.490 nan 8.230 nan 0.000 0.432 123 G N -1.013 107.533 108.800 -0.423 0.000 2.442 123 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 123 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 123 G C 1.726 176.456 174.900 -0.282 0.000 1.141 123 G CA 0.985 45.882 45.100 -0.338 0.000 0.763 123 G HN 0.364 nan 8.290 nan 0.000 0.554 124 S N 1.023 116.565 115.700 -0.262 0.000 2.368 124 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 124 S C 2.786 177.209 174.600 -0.295 0.000 1.030 124 S CA 1.262 59.331 58.200 -0.217 0.000 0.999 124 S CB -0.386 62.720 63.200 -0.156 0.000 0.844 124 S HN 0.596 nan 8.310 nan 0.000 0.459 125 A N 0.761 123.315 122.820 -0.444 0.000 1.930 125 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 125 A C 2.263 179.446 177.584 -0.669 0.000 1.175 125 A CA 1.801 53.432 52.037 -0.677 0.000 0.627 125 A CB -0.961 17.384 19.000 -1.090 0.000 0.815 125 A HN 0.456 nan 8.150 nan 0.000 0.443 126 S N -1.028 114.294 115.700 -0.630 0.000 2.399 126 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 126 S C 2.047 176.573 174.600 -0.123 0.000 1.022 126 S CA 1.468 59.514 58.200 -0.255 0.000 0.983 126 S CB -0.308 62.835 63.200 -0.095 0.000 0.803 126 S HN 0.553 nan 8.310 nan 0.000 0.480 127 Q N 0.959 120.667 119.800 -0.153 0.000 2.297 127 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 127 Q C 0.419 176.371 176.000 -0.080 0.000 0.962 127 Q CA 0.507 56.255 55.803 -0.091 0.000 0.879 127 Q CB -0.293 28.389 28.738 -0.092 0.000 0.947 127 Q HN 0.549 nan 8.270 nan 0.000 0.462 128 R N 1.445 121.877 120.500 -0.114 0.000 2.421 128 R HA 0.036 4.376 4.340 -0.000 0.000 0.305 128 R C 0.885 177.156 176.300 -0.047 0.000 1.039 128 R CA 0.231 56.277 56.100 -0.089 0.000 1.003 128 R CB 0.256 30.481 30.300 -0.126 0.000 0.959 128 R HN 0.285 nan 8.270 nan 0.000 0.427 129 Q N 0.569 120.355 119.800 -0.025 0.000 2.356 129 Q HA 0.010 4.350 4.340 -0.000 0.000 0.205 129 Q C 0.094 176.103 176.000 0.015 0.000 0.901 129 Q CA 0.545 56.350 55.803 0.002 0.000 0.938 129 Q CB 0.990 29.732 28.738 0.005 0.000 1.081 129 Q HN 0.671 nan 8.270 nan 0.000 0.517 130 T N -2.925 111.632 114.554 0.005 0.000 2.887 130 T HA 0.720 5.070 4.350 -0.000 0.000 0.288 130 T C 0.467 175.179 174.700 0.019 0.000 1.021 130 T CA -0.200 61.917 62.100 0.029 0.000 1.000 130 T CB 2.156 71.042 68.868 0.030 0.000 1.034 130 T HN 0.325 nan 8.240 nan 0.000 0.467 131 G N 1.175 110.022 108.800 0.079 0.000 2.593 131 G HA2 0.368 4.328 3.960 -0.000 0.000 0.237 131 G HA3 0.368 4.328 3.960 -0.000 0.000 0.237 131 G C -0.166 174.582 174.900 -0.253 0.000 1.312 131 G CA -0.121 45.006 45.100 0.044 0.000 0.896 131 G HN 1.884 nan 8.290 nan 0.000 0.574 132 A N -1.302 121.220 122.820 -0.497 0.000 2.430 132 A HA 0.960 5.280 4.320 -0.000 0.000 0.300 132 A C -0.072 177.293 177.584 -0.365 0.000 1.124 132 A CA 0.631 52.307 52.037 -0.601 0.000 0.766 132 A CB 1.852 20.237 19.000 -1.025 0.000 1.328 132 A HN 1.963 nan 8.150 nan 0.000 0.424 133 S N -0.517 114.972 115.700 -0.351 0.000 2.575 133 S HA 0.672 5.142 4.470 -0.000 0.000 0.278 133 S C -0.481 173.911 174.600 -0.346 0.000 1.139 133 S CA -0.277 57.707 58.200 -0.359 0.000 0.954 133 S CB 1.450 64.391 63.200 -0.430 0.000 1.054 133 S HN 1.740 nan 8.310 nan 0.000 0.483 134 V N -0.146 119.510 119.914 -0.431 0.000 3.158 134 V HA 0.873 4.993 4.120 -0.000 0.000 0.311 134 V C -1.652 173.995 176.094 -0.746 0.000 1.181 134 V CA -1.010 61.081 62.300 -0.350 0.000 1.054 134 V CB 1.416 33.218 31.823 -0.035 0.000 1.085 134 V HN 0.673 nan 8.190 nan 0.000 0.446 135 F N 0.344 120.232 119.950 -0.104 0.000 2.551 135 F HA 0.892 5.419 4.527 -0.000 0.000 0.316 135 F C 0.427 176.208 175.800 -0.033 0.000 1.089 135 F CA -0.333 57.618 58.000 -0.082 0.000 0.915 135 F CB 2.180 41.087 39.000 -0.155 0.000 1.186 135 F HN 0.890 nan 8.300 nan 0.000 0.456 136 A N 2.688 125.671 122.820 0.270 0.000 2.318 136 A HA 0.686 5.006 4.320 -0.000 0.000 0.324 136 A C -2.105 175.783 177.584 0.506 0.000 1.170 136 A CA -0.571 51.678 52.037 0.352 0.000 0.810 136 A CB 0.545 19.812 19.000 0.445 0.000 1.198 136 A HN 0.754 nan 8.150 nan 0.000 0.484 137 Y N 2.660 123.153 120.300 0.322 0.000 2.373 137 Y HA 0.319 4.869 4.550 -0.000 0.000 0.336 137 Y C 0.066 176.060 175.900 0.157 0.000 0.979 137 Y CA -0.553 57.719 58.100 0.286 0.000 1.080 137 Y CB 1.131 39.696 38.460 0.174 0.000 1.190 137 Y HN 0.816 nan 8.280 nan 0.000 0.446 138 H N 5.719 124.567 119.070 -0.370 0.000 3.004 138 H HA 0.401 4.957 4.556 -0.000 0.000 0.316 138 H C -0.795 174.340 175.328 -0.322 0.000 1.014 138 H CA 1.003 56.659 56.048 -0.654 0.000 1.454 138 H CB 0.447 29.788 29.762 -0.701 0.000 1.472 138 H HN 0.612 nan 8.280 nan 0.000 0.571 139 V N 3.399 123.183 119.914 -0.216 0.000 3.078 139 V HA 0.178 4.298 4.120 -0.000 0.000 0.311 139 V C 0.648 176.719 176.094 -0.038 0.000 1.138 139 V CA -1.011 61.293 62.300 0.006 0.000 1.007 139 V CB 1.791 33.670 31.823 0.093 0.000 1.045 139 V HN 0.583 nan 8.190 nan 0.000 0.432 140 L N 0.640 121.894 121.223 0.052 0.000 2.056 140 L HA 0.280 4.620 4.340 -0.000 0.000 0.207 140 L C 1.032 177.931 176.870 0.049 0.000 1.078 140 L CA 1.949 56.818 54.840 0.048 0.000 0.749 140 L CB -0.423 41.668 42.059 0.054 0.000 0.901 140 L HN 0.888 nan 8.230 nan 0.000 0.433 141 D N 0.002 120.463 120.400 0.102 0.000 2.551 141 D HA 0.217 4.857 4.640 -0.000 0.000 0.294 141 D C -1.742 174.674 176.300 0.193 0.000 1.201 141 D CA -1.263 52.804 54.000 0.113 0.000 0.941 141 D CB 0.869 41.723 40.800 0.090 0.000 0.995 141 D HN 0.236 nan 8.370 nan 0.000 0.502 142 P HA -0.162 nan 4.420 nan 0.000 0.220 142 P C 1.312 178.729 177.300 0.196 0.000 1.148 142 P CA 0.839 64.082 63.100 0.238 0.000 0.803 142 P CB 0.392 32.153 31.700 0.102 0.000 0.782 143 E N 1.372 121.625 120.200 0.088 0.000 2.333 143 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 143 E C 1.469 178.043 176.600 -0.042 0.000 1.010 143 E CA 1.075 57.492 56.400 0.028 0.000 0.841 143 E CB -0.829 28.876 29.700 0.009 0.000 0.757 143 E HN 0.340 nan 8.360 nan 0.000 0.508 144 R N -0.734 119.670 120.500 -0.160 0.000 2.317 144 R HA 0.198 4.538 4.340 -0.000 0.000 0.208 144 R C -0.004 175.865 176.300 -0.718 0.000 0.914 144 R CA 0.131 55.942 56.100 -0.481 0.000 1.060 144 R CB 0.228 30.055 30.300 -0.787 0.000 1.015 144 R HN 0.183 nan 8.270 nan 0.000 0.498 145 Y N -1.420 118.942 120.300 0.103 0.000 2.698 145 Y HA 0.428 4.978 4.550 -0.000 0.000 0.332 145 Y C 0.893 176.871 175.900 0.130 0.000 1.119 145 Y CA -1.469 56.720 58.100 0.149 0.000 1.109 145 Y CB 0.774 39.361 38.460 0.211 0.000 1.308 145 Y HN -0.118 nan 8.280 nan 0.000 0.499 146 G N 0.757 109.764 108.800 0.345 0.000 2.313 146 G HA2 0.398 4.358 3.960 -0.000 0.000 0.250 146 G HA3 0.398 4.358 3.960 -0.000 0.000 0.250 146 G C -1.108 173.926 174.900 0.224 0.000 1.281 146 G CA -0.093 45.149 45.100 0.237 0.000 0.917 146 G HN 0.315 nan 8.290 nan 0.000 0.501 147 V N 3.241 123.248 119.914 0.154 0.000 2.495 147 V HA 0.468 4.588 4.120 -0.000 0.000 0.298 147 V C -0.059 176.072 176.094 0.061 0.000 1.031 147 V CA -0.855 61.523 62.300 0.131 0.000 0.871 147 V CB 1.684 33.574 31.823 0.112 0.000 0.988 147 V HN 0.586 nan 8.190 nan 0.000 0.432 148 V N 4.892 124.824 119.914 0.030 0.000 2.448 148 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 148 V C -0.203 175.754 176.094 -0.230 0.000 1.025 148 V CA -0.225 61.985 62.300 -0.149 0.000 0.859 148 V CB 1.636 33.299 31.823 -0.266 0.000 0.988 148 V HN 1.029 nan 8.190 nan 0.000 0.431 149 E N 5.330 125.381 120.200 -0.247 0.000 2.216 149 E HA 0.481 4.831 4.350 -0.000 0.000 0.279 149 E C -1.614 174.801 176.600 -0.308 0.000 0.997 149 E CA -0.538 55.773 56.400 -0.150 0.000 0.817 149 E CB 1.293 30.967 29.700 -0.043 0.000 1.096 149 E HN 0.639 nan 8.360 nan 0.000 0.393 150 F N 2.249 122.202 119.950 0.006 0.000 2.538 150 F HA 0.210 4.737 4.527 -0.000 0.000 0.325 150 F C 0.486 176.282 175.800 -0.007 0.000 1.066 150 F CA -0.861 57.124 58.000 -0.026 0.000 0.946 150 F CB 1.258 40.211 39.000 -0.078 0.000 1.199 150 F HN 0.484 nan 8.300 nan 0.000 0.473 151 D N 0.255 120.760 120.400 0.174 0.000 2.451 151 D HA 0.104 4.744 4.640 -0.000 0.000 0.259 151 D C 0.574 176.927 176.300 0.088 0.000 1.201 151 D CA -0.403 53.658 54.000 0.101 0.000 1.028 151 D CB 0.444 41.283 40.800 0.065 0.000 1.095 151 D HN 0.622 nan 8.370 nan 0.000 0.539 152 Q N -0.614 119.220 119.800 0.057 0.000 2.308 152 Q HA -0.044 4.296 4.340 -0.000 0.000 0.209 152 Q C 1.539 177.551 176.000 0.021 0.000 0.985 152 Q CA 1.521 57.347 55.803 0.038 0.000 0.881 152 Q CB -0.248 28.508 28.738 0.029 0.000 0.917 152 Q HN 0.723 nan 8.270 nan 0.000 0.443 153 G N -1.112 107.701 108.800 0.022 0.000 3.371 153 G HA2 0.313 4.273 3.960 -0.000 0.000 0.248 153 G HA3 0.313 4.273 3.960 -0.000 0.000 0.248 153 G C 0.721 175.616 174.900 -0.009 0.000 1.161 153 G CA 0.115 45.217 45.100 0.005 0.000 0.796 153 G HN 0.400 nan 8.290 nan 0.000 0.539 154 G N 0.099 108.893 108.800 -0.009 0.000 2.153 154 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 154 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 154 G C 0.360 175.302 174.900 0.069 0.000 0.994 154 G CA 0.575 45.631 45.100 -0.073 0.000 0.698 154 G HN 0.704 nan 8.290 nan 0.000 0.521 155 K N 0.619 121.111 120.400 0.153 0.000 2.201 155 K HA 0.693 5.013 4.320 -0.000 0.000 0.278 155 K C 0.781 177.520 176.600 0.231 0.000 1.027 155 K CA -0.083 56.308 56.287 0.173 0.000 0.909 155 K CB 0.865 33.410 32.500 0.075 0.000 1.062 155 K HN 0.583 nan 8.250 nan 0.000 0.465 156 A N 5.017 127.934 122.820 0.162 0.000 2.524 156 A HA 0.150 4.470 4.320 -0.000 0.000 0.250 156 A C 0.872 178.399 177.584 -0.094 0.000 1.078 156 A CA 0.009 51.952 52.037 -0.156 0.000 0.761 156 A CB -0.550 18.330 19.000 -0.200 0.000 1.012 156 A HN 0.894 nan 8.150 nan 0.000 0.500 157 I N 0.283 120.780 120.570 -0.122 0.000 4.403 157 I HA 0.340 4.510 4.170 -0.000 0.000 0.331 157 I C 0.378 176.461 176.117 -0.057 0.000 1.327 157 I CA 0.438 61.705 61.300 -0.055 0.000 1.175 157 I CB 0.233 38.224 38.000 -0.016 0.000 1.165 157 I HN 0.585 nan 8.210 nan 0.000 0.413 158 S N 0.788 116.434 115.700 -0.090 0.000 2.578 158 S HA 0.704 5.174 4.470 -0.000 0.000 0.272 158 S C -1.454 173.107 174.600 -0.065 0.000 1.145 158 S CA -0.768 57.398 58.200 -0.056 0.000 0.835 158 S CB 1.701 64.884 63.200 -0.029 0.000 1.104 158 S HN 0.223 nan 8.310 nan 0.000 0.458 159 L N 1.313 122.520 121.223 -0.026 0.000 2.408 159 L HA 0.721 5.061 4.340 -0.000 0.000 0.268 159 L C -0.718 176.162 176.870 0.018 0.000 0.986 159 L CA -0.485 54.354 54.840 -0.003 0.000 0.820 159 L CB 2.204 44.272 42.059 0.014 0.000 1.303 159 L HN 0.815 nan 8.230 nan 0.000 0.411 160 E N 1.618 121.839 120.200 0.035 0.000 2.290 160 E HA 0.252 4.602 4.350 -0.000 0.000 0.274 160 E C -1.519 175.119 176.600 0.063 0.000 0.889 160 E CA -0.847 55.577 56.400 0.041 0.000 0.760 160 E CB 3.128 32.849 29.700 0.036 0.000 1.206 160 E HN 0.350 nan 8.360 nan 0.000 0.419 161 E N 2.865 123.100 120.200 0.059 0.000 2.194 161 E HA 0.081 4.431 4.350 -0.000 0.000 0.284 161 E C -0.841 175.792 176.600 0.055 0.000 1.035 161 E CA -0.146 56.297 56.400 0.071 0.000 0.836 161 E CB 0.313 30.049 29.700 0.061 0.000 1.070 161 E HN 0.394 nan 8.360 nan 0.000 0.401 162 K N 3.789 124.226 120.400 0.060 0.000 3.311 162 K HA -0.152 4.168 4.320 -0.000 0.000 0.270 162 K C -2.082 174.533 176.600 0.026 0.000 0.927 162 K CA 0.559 56.864 56.287 0.030 0.000 0.706 162 K CB -1.435 31.065 32.500 0.001 0.000 1.418 162 K HN 0.558 nan 8.250 nan 0.000 0.459 163 P HA -0.084 nan 4.420 nan 0.000 0.266 163 P C 0.994 178.308 177.300 0.023 0.000 1.195 163 P CA 0.105 63.224 63.100 0.031 0.000 0.768 163 P CB 0.671 32.395 31.700 0.039 0.000 0.838 164 L N 1.250 122.483 121.223 0.017 0.000 2.156 164 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 164 L C 1.060 177.940 176.870 0.018 0.000 1.095 164 L CA 1.509 56.358 54.840 0.013 0.000 0.770 164 L CB -0.246 41.819 42.059 0.010 0.000 0.914 164 L HN 0.455 nan 8.230 nan 0.000 0.439 165 E N 0.351 120.564 120.200 0.022 0.000 2.916 165 E HA 0.255 4.605 4.350 -0.000 0.000 0.217 165 E C -2.288 174.331 176.600 0.032 0.000 1.100 165 E CA -1.852 54.563 56.400 0.025 0.000 0.891 165 E CB 0.863 30.576 29.700 0.022 0.000 1.311 165 E HN 0.087 nan 8.360 nan 0.000 0.421 166 P HA -0.052 nan 4.420 nan 0.000 0.265 166 P C 0.301 177.630 177.300 0.049 0.000 1.187 166 P CA 0.149 63.277 63.100 0.047 0.000 0.766 166 P CB 0.802 32.533 31.700 0.051 0.000 0.820 167 K N 0.465 120.898 120.400 0.055 0.000 2.400 167 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 167 K C 0.780 177.433 176.600 0.088 0.000 1.033 167 K CA 0.438 56.761 56.287 0.060 0.000 1.021 167 K CB 0.157 32.685 32.500 0.047 0.000 0.808 167 K HN 0.624 nan 8.250 nan 0.000 0.505 168 S N -0.977 114.783 115.700 0.100 0.000 2.672 168 S HA 0.264 4.734 4.470 -0.000 0.000 0.271 168 S C -0.634 174.005 174.600 0.065 0.000 1.171 168 S CA -1.000 57.283 58.200 0.139 0.000 0.817 168 S CB 0.854 64.218 63.200 0.273 0.000 1.150 168 S HN -0.065 nan 8.310 nan 0.000 0.478 169 N N 0.041 118.722 118.700 -0.033 0.000 2.251 169 N HA 0.242 4.982 4.740 -0.000 0.000 0.217 169 N C -1.461 173.751 175.510 -0.497 0.000 1.124 169 N CA 0.168 53.023 53.050 -0.325 0.000 0.843 169 N CB -0.136 37.936 38.487 -0.692 0.000 1.024 169 N HN 0.534 nan 8.380 nan 0.000 0.501 170 Y N 0.840 121.139 120.300 -0.002 0.000 2.353 170 Y HA 0.465 5.015 4.550 -0.000 0.000 0.340 170 Y C 0.511 176.478 175.900 0.111 0.000 0.972 170 Y CA -0.887 57.274 58.100 0.102 0.000 1.157 170 Y CB 1.035 39.662 38.460 0.278 0.000 1.157 170 Y HN -0.058 nan 8.280 nan 0.000 0.495 171 A N 3.314 126.256 122.820 0.204 0.000 2.327 171 A HA 0.610 4.929 4.320 -0.000 0.000 0.283 171 A C -0.647 177.008 177.584 0.119 0.000 1.127 171 A CA -0.645 51.494 52.037 0.170 0.000 0.810 171 A CB 0.422 19.454 19.000 0.053 0.000 1.066 171 A HN 0.541 nan 8.150 nan 0.000 0.492 172 V N 3.249 123.231 119.914 0.114 0.000 2.408 172 V HA 0.304 4.424 4.120 -0.000 0.000 0.267 172 V C 1.210 177.244 176.094 -0.099 0.000 1.047 172 V CA 0.136 62.471 62.300 0.058 0.000 0.937 172 V CB 0.578 32.502 31.823 0.168 0.000 0.999 172 V HN 1.116 nan 8.190 nan 0.000 0.472 173 T N 2.100 116.406 114.554 -0.413 0.000 2.726 173 T HA 0.277 4.627 4.350 -0.000 0.000 0.294 173 T C 1.007 175.447 174.700 -0.434 0.000 1.013 173 T CA 0.094 61.657 62.100 -0.896 0.000 0.996 173 T CB 1.113 69.121 68.868 -1.433 0.000 1.016 173 T HN 0.835 nan 8.240 nan 0.000 0.529 174 G N 0.553 109.247 108.800 -0.178 0.000 3.741 174 G HA2 0.459 4.419 3.960 -0.000 0.000 0.263 174 G HA3 0.459 4.419 3.960 -0.000 0.000 0.263 174 G C -0.586 174.149 174.900 -0.274 0.000 1.175 174 G CA -0.363 44.688 45.100 -0.082 0.000 1.642 174 G HN 0.682 nan 8.290 nan 0.000 0.644 175 L N 0.647 121.429 121.223 -0.735 0.000 2.491 175 L HA 0.629 4.969 4.340 -0.000 0.000 0.267 175 L C -1.850 174.729 176.870 -0.485 0.000 0.971 175 L CA -1.556 53.040 54.840 -0.408 0.000 0.857 175 L CB 0.927 42.810 42.059 -0.293 0.000 1.226 175 L HN 0.181 nan 8.230 nan 0.000 0.408 176 Y N 4.382 124.666 120.300 -0.026 0.000 2.442 176 Y HA 0.660 5.210 4.550 -0.000 0.000 0.344 176 Y C -0.899 174.705 175.900 -0.494 0.000 0.976 176 Y CA -0.763 57.222 58.100 -0.191 0.000 1.040 176 Y CB 1.875 40.251 38.460 -0.140 0.000 1.228 176 Y HN 0.362 nan 8.280 nan 0.000 0.451 177 F N 2.603 122.284 119.950 -0.448 0.000 2.444 177 F HA 0.569 5.096 4.527 -0.000 0.000 0.342 177 F C -0.851 174.554 175.800 -0.659 0.000 1.121 177 F CA -1.213 56.565 58.000 -0.371 0.000 0.997 177 F CB 0.962 39.826 39.000 -0.226 0.000 1.130 177 F HN 0.371 nan 8.300 nan 0.000 0.454 178 Y N 1.278 121.623 120.300 0.075 0.000 2.499 178 Y HA 0.340 4.890 4.550 -0.000 0.000 0.347 178 Y C 0.034 175.948 175.900 0.024 0.000 0.987 178 Y CA -1.411 56.664 58.100 -0.042 0.000 1.044 178 Y CB 1.439 39.855 38.460 -0.072 0.000 1.245 178 Y HN 0.578 nan 8.280 nan 0.000 0.461 179 D N 0.032 120.554 120.400 0.203 0.000 2.425 179 D HA 0.053 4.693 4.640 -0.000 0.000 0.274 179 D C 0.412 176.815 176.300 0.172 0.000 1.242 179 D CA -0.239 53.862 54.000 0.169 0.000 1.060 179 D CB 0.361 41.250 40.800 0.148 0.000 1.112 179 D HN 0.529 nan 8.370 nan 0.000 0.561 180 Q N -1.346 118.525 119.800 0.119 0.000 2.436 180 Q HA -0.036 4.304 4.340 -0.000 0.000 0.209 180 Q C 1.775 177.804 176.000 0.048 0.000 0.965 180 Q CA 1.030 56.878 55.803 0.075 0.000 0.910 180 Q CB -0.205 28.561 28.738 0.047 0.000 0.980 180 Q HN 0.479 nan 8.270 nan 0.000 0.491 181 Q N -0.698 119.145 119.800 0.072 0.000 2.432 181 Q HA -0.000 4.340 4.340 -0.000 0.000 0.205 181 Q C 1.859 177.794 176.000 -0.108 0.000 0.945 181 Q CA 0.481 56.267 55.803 -0.028 0.000 0.924 181 Q CB 0.153 28.837 28.738 -0.088 0.000 1.016 181 Q HN 0.246 nan 8.270 nan 0.000 0.503 182 V N 0.050 119.914 119.914 -0.083 0.000 2.358 182 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 182 V C 1.994 177.881 176.094 -0.344 0.000 1.047 182 V CA 1.305 63.392 62.300 -0.354 0.000 1.035 182 V CB -0.025 31.319 31.823 -0.798 0.000 0.658 182 V HN 0.188 nan 8.190 nan 0.000 0.452 183 V N 0.533 120.352 119.914 -0.158 0.000 2.332 183 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 183 V C 2.337 178.393 176.094 -0.064 0.000 1.055 183 V CA 2.483 64.755 62.300 -0.046 0.000 1.038 183 V CB -0.790 31.052 31.823 0.033 0.000 0.651 183 V HN 0.593 nan 8.190 nan 0.000 0.450 184 D N -0.304 120.047 120.400 -0.081 0.000 2.183 184 D HA -0.052 4.588 4.640 -0.000 0.000 0.203 184 D C 2.071 178.306 176.300 -0.109 0.000 0.969 184 D CA 1.008 54.961 54.000 -0.078 0.000 0.842 184 D CB -0.115 40.641 40.800 -0.073 0.000 0.957 184 D HN 0.396 nan 8.370 nan 0.000 0.484 185 I N 1.126 121.594 120.570 -0.171 0.000 2.179 185 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 185 I C 2.420 178.447 176.117 -0.149 0.000 1.088 185 I CA 1.057 62.238 61.300 -0.198 0.000 1.357 185 I CB -0.177 37.638 38.000 -0.309 0.000 1.051 185 I HN -0.070 nan 8.210 nan 0.000 0.409 186 A N 0.670 123.400 122.820 -0.151 0.000 1.972 186 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 186 A C 2.339 179.902 177.584 -0.034 0.000 1.169 186 A CA 1.293 53.283 52.037 -0.079 0.000 0.635 186 A CB -0.536 18.457 19.000 -0.013 0.000 0.810 186 A HN 0.325 nan 8.150 nan 0.000 0.446 187 R N -0.429 120.051 120.500 -0.034 0.000 2.152 187 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 187 R C 0.728 177.011 176.300 -0.027 0.000 1.117 187 R CA 1.364 57.452 56.100 -0.020 0.000 0.981 187 R CB -0.196 30.091 30.300 -0.021 0.000 0.870 187 R HN 0.407 nan 8.270 nan 0.000 0.451 188 D N 0.020 120.394 120.400 -0.044 0.000 2.349 188 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 188 D C 0.330 176.607 176.300 -0.038 0.000 1.016 188 D CA 0.320 54.295 54.000 -0.042 0.000 0.870 188 D CB 0.210 40.977 40.800 -0.055 0.000 0.917 188 D HN 0.085 nan 8.370 nan 0.000 0.524 189 L N 1.066 122.267 121.223 -0.037 0.000 2.461 189 L HA 0.114 4.454 4.340 -0.000 0.000 0.272 189 L C 0.835 177.694 176.870 -0.018 0.000 1.197 189 L CA 0.178 55.001 54.840 -0.030 0.000 0.836 189 L CB 0.587 42.630 42.059 -0.027 0.000 1.105 189 L HN -0.299 nan 8.230 nan 0.000 0.477 190 K N 2.505 122.896 120.400 -0.015 0.000 2.259 190 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 190 K C -2.362 174.235 176.600 -0.005 0.000 0.942 190 K CA -1.918 54.363 56.287 -0.009 0.000 0.816 190 K CB 1.625 34.119 32.500 -0.010 0.000 1.155 190 K HN 0.212 nan 8.250 nan 0.000 0.428 191 P HA 0.011 nan 4.420 nan 0.000 0.269 191 P C -0.156 177.145 177.300 0.001 0.000 1.209 191 P CA -0.028 63.072 63.100 0.001 0.000 0.776 191 P CB 0.498 32.199 31.700 0.002 0.000 0.876 192 S N 2.793 118.495 115.700 0.004 0.000 2.634 192 S HA 0.261 4.731 4.470 -0.000 0.000 0.261 192 S C -1.617 172.985 174.600 0.004 0.000 1.271 192 S CA -0.889 57.314 58.200 0.005 0.000 0.985 192 S CB -0.366 62.840 63.200 0.009 0.000 0.968 192 S HN 0.237 nan 8.310 nan 0.000 0.568 193 P HA -0.167 nan 4.420 nan 0.000 0.215 193 P C 1.237 178.539 177.300 0.004 0.000 1.157 193 P CA 1.536 64.638 63.100 0.004 0.000 0.874 193 P CB -0.148 31.554 31.700 0.004 0.000 0.790 194 R N -0.814 119.688 120.500 0.004 0.000 2.346 194 R HA 0.207 4.547 4.340 -0.000 0.000 0.199 194 R C 1.204 177.506 176.300 0.004 0.000 1.015 194 R CA 0.863 56.965 56.100 0.003 0.000 1.058 194 R CB -1.346 28.956 30.300 0.003 0.000 0.921 194 R HN 0.146 nan 8.270 nan 0.000 0.475 195 G N -0.064 108.739 108.800 0.005 0.000 2.143 195 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 195 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 195 G C -0.522 174.382 174.900 0.006 0.000 0.991 195 G CA 0.196 45.299 45.100 0.005 0.000 0.689 195 G HN 0.473 nan 8.290 nan 0.000 0.522 196 E N -0.534 119.671 120.200 0.009 0.000 2.221 196 E HA 0.557 4.906 4.350 -0.000 0.000 0.268 196 E C 0.065 176.672 176.600 0.012 0.000 0.933 196 E CA -0.967 55.440 56.400 0.012 0.000 0.809 196 E CB 1.712 31.422 29.700 0.016 0.000 1.190 196 E HN 0.211 nan 8.360 nan 0.000 0.406 197 L N 2.767 123.997 121.223 0.013 0.000 2.312 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.287 197 L C 0.376 177.256 176.870 0.017 0.000 1.091 197 L CA -0.197 54.650 54.840 0.012 0.000 0.846 197 L CB 0.162 42.230 42.059 0.014 0.000 1.219 197 L HN 0.153 nan 8.230 nan 0.000 0.439 198 E N 2.843 123.051 120.200 0.013 0.000 2.227 198 E HA 0.057 4.407 4.350 -0.000 0.000 0.282 198 E C 0.852 177.455 176.600 0.006 0.000 1.015 198 E CA -0.383 56.028 56.400 0.019 0.000 0.823 198 E CB 2.435 32.148 29.700 0.023 0.000 1.081 198 E HN 0.438 nan 8.360 nan 0.000 0.396 199 I N 2.951 123.519 120.570 -0.003 0.000 2.361 199 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 199 I C 1.877 177.975 176.117 -0.031 0.000 1.133 199 I CA 1.667 62.928 61.300 -0.064 0.000 1.413 199 I CB -0.115 37.767 38.000 -0.196 0.000 1.073 199 I HN 0.476 nan 8.210 nan 0.000 0.424 200 T N 0.532 115.100 114.554 0.024 0.000 2.699 200 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 200 T C 1.520 176.242 174.700 0.037 0.000 1.036 200 T CA 1.873 64.007 62.100 0.056 0.000 1.147 200 T CB -0.400 68.512 68.868 0.073 0.000 0.862 200 T HN 0.395 nan 8.240 nan 0.000 0.446 201 D N 0.614 121.024 120.400 0.016 0.000 2.144 201 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 201 D C 2.245 178.538 176.300 -0.011 0.000 0.984 201 D CA 0.556 54.556 54.000 0.001 0.000 0.834 201 D CB -0.639 40.156 40.800 -0.010 0.000 0.955 201 D HN 0.217 nan 8.370 nan 0.000 0.465 202 V N 1.733 121.631 119.914 -0.027 0.000 2.295 202 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 202 V C 2.022 178.180 176.094 0.106 0.000 1.049 202 V CA 1.587 63.858 62.300 -0.049 0.000 1.024 202 V CB -0.457 31.267 31.823 -0.166 0.000 0.648 202 V HN 0.170 nan 8.190 nan 0.000 0.447 203 N N 0.060 118.844 118.700 0.140 0.000 2.166 203 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 203 N C 1.958 177.563 175.510 0.158 0.000 1.019 203 N CA 1.307 54.481 53.050 0.208 0.000 0.856 203 N CB -0.459 38.126 38.487 0.164 0.000 0.993 203 N HN 0.436 nan 8.380 nan 0.000 0.426 204 R N 0.680 121.232 120.500 0.087 0.000 2.115 204 R HA 0.049 4.389 4.340 -0.000 0.000 0.230 204 R C 1.933 178.255 176.300 0.037 0.000 1.111 204 R CA 1.037 57.167 56.100 0.051 0.000 0.976 204 R CB -0.055 30.260 30.300 0.024 0.000 0.870 204 R HN 0.182 nan 8.270 nan 0.000 0.445 205 A N -0.094 122.732 122.820 0.010 0.000 1.898 205 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 205 A C 1.821 179.369 177.584 -0.061 0.000 1.181 205 A CA 1.065 53.060 52.037 -0.070 0.000 0.620 205 A CB -0.727 18.175 19.000 -0.163 0.000 0.819 205 A HN 0.425 nan 8.150 nan 0.000 0.442 206 Y N -0.925 119.368 120.300 -0.013 0.000 2.181 206 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 206 Y C 2.274 178.171 175.900 -0.005 0.000 1.146 206 Y CA 1.385 59.485 58.100 0.001 0.000 1.164 206 Y CB -0.332 38.148 38.460 0.034 0.000 0.982 206 Y HN 0.338 nan 8.280 nan 0.000 0.515 207 L N 0.613 121.927 121.223 0.152 0.000 2.079 207 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 207 L C 1.843 178.736 176.870 0.038 0.000 1.081 207 L CA 1.872 56.755 54.840 0.072 0.000 0.752 207 L CB -0.567 41.515 42.059 0.038 0.000 0.896 207 L HN 0.213 nan 8.230 nan 0.000 0.433 208 E N -0.898 119.316 120.200 0.023 0.000 2.418 208 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 208 E C 1.640 178.239 176.600 -0.001 0.000 1.026 208 E CA 0.391 56.793 56.400 0.003 0.000 0.862 208 E CB 0.042 29.736 29.700 -0.010 0.000 0.799 208 E HN 0.527 nan 8.360 nan 0.000 0.518 209 R N -0.615 119.890 120.500 0.008 0.000 2.362 209 R HA 0.126 4.466 4.340 -0.000 0.000 0.227 209 R C 0.875 177.190 176.300 0.025 0.000 0.905 209 R CA 0.433 56.536 56.100 0.005 0.000 1.067 209 R CB 0.907 31.198 30.300 -0.014 0.000 1.078 209 R HN 0.131 nan 8.270 nan 0.000 0.516 210 G N 1.739 110.560 108.800 0.034 0.000 2.176 210 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.252 210 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.252 210 G C 0.282 175.209 174.900 0.045 0.000 1.024 210 G CA 0.082 45.200 45.100 0.031 0.000 0.755 210 G HN 0.418 nan 8.290 nan 0.000 0.507 211 Q N -1.279 118.573 119.800 0.087 0.000 2.141 211 Q HA 0.436 4.776 4.340 -0.000 0.000 0.248 211 Q C -0.024 176.032 176.000 0.094 0.000 0.834 211 Q CA -0.404 55.468 55.803 0.115 0.000 1.096 211 Q CB 0.936 29.800 28.738 0.210 0.000 1.189 211 Q HN 0.404 nan 8.270 nan 0.000 0.471 212 L N 0.803 122.055 121.223 0.048 0.000 2.287 212 L HA 0.416 4.756 4.340 -0.000 0.000 0.287 212 L C -0.576 176.257 176.870 -0.061 0.000 1.022 212 L CA -0.194 54.636 54.840 -0.018 0.000 0.814 212 L CB 1.926 43.997 42.059 0.020 0.000 1.217 212 L HN -0.124 nan 8.230 nan 0.000 0.420 213 S N 4.713 120.339 115.700 -0.123 0.000 2.422 213 S HA 0.599 5.069 4.470 -0.000 0.000 0.298 213 S C -0.705 173.786 174.600 -0.181 0.000 1.118 213 S CA -0.576 57.540 58.200 -0.140 0.000 1.083 213 S CB 0.499 63.595 63.200 -0.173 0.000 0.971 213 S HN 0.448 nan 8.310 nan 0.000 0.478 214 V N 6.569 126.416 119.914 -0.111 0.000 2.328 214 V HA 0.438 4.558 4.120 -0.000 0.000 0.278 214 V C -0.106 175.945 176.094 -0.072 0.000 1.021 214 V CA -0.655 61.589 62.300 -0.093 0.000 0.838 214 V CB 1.198 33.020 31.823 -0.001 0.000 0.999 214 V HN 0.804 nan 8.190 nan 0.000 0.447 215 E N 4.271 124.346 120.200 -0.208 0.000 2.204 215 E HA 0.440 4.790 4.350 -0.000 0.000 0.276 215 E C -0.622 176.020 176.600 0.070 0.000 0.974 215 E CA -0.914 55.420 56.400 -0.109 0.000 0.815 215 E CB 2.543 32.111 29.700 -0.220 0.000 1.119 215 E HN 0.317 nan 8.360 nan 0.000 0.393 216 I N 2.524 123.141 120.570 0.079 0.000 2.533 216 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 216 I C 0.605 176.878 176.117 0.261 0.000 1.109 216 I CA 0.093 61.470 61.300 0.129 0.000 1.412 216 I CB -0.061 37.944 38.000 0.007 0.000 1.396 216 I HN 0.459 nan 8.210 nan 0.000 0.543 217 M N 6.450 126.261 119.600 0.351 0.000 2.055 217 M HA 0.441 4.921 4.480 -0.000 0.000 0.347 217 M C 0.543 177.134 176.300 0.485 0.000 1.123 217 M CA -0.406 55.113 55.300 0.364 0.000 1.035 217 M CB 0.616 33.367 32.600 0.251 0.000 1.484 217 M HN 0.702 nan 8.290 nan 0.000 0.428 218 G N 3.941 113.042 108.800 0.500 0.000 2.732 218 G HA2 0.037 3.997 3.960 -0.000 0.000 0.244 218 G HA3 0.037 3.997 3.960 -0.000 0.000 0.244 218 G C 0.726 175.808 174.900 0.303 0.000 1.226 218 G CA -0.565 44.738 45.100 0.338 0.000 0.860 218 G HN 0.972 nan 8.290 nan 0.000 0.583 219 R N -0.131 120.439 120.500 0.116 0.000 2.235 219 R HA 0.003 4.343 4.340 -0.000 0.000 0.213 219 R C 2.037 178.402 176.300 0.108 0.000 1.059 219 R CA 1.138 57.261 56.100 0.040 0.000 0.997 219 R CB -0.463 29.808 30.300 -0.048 0.000 0.884 219 R HN 0.493 nan 8.270 nan 0.000 0.462 220 G N 0.475 109.317 108.800 0.071 0.000 2.559 220 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 220 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 220 G C -0.089 174.816 174.900 0.008 0.000 1.126 220 G CA 0.038 45.141 45.100 0.005 0.000 0.778 220 G HN 0.257 nan 8.290 nan 0.000 0.543 221 Y N 0.132 120.576 120.300 0.240 0.000 2.301 221 Y HA 0.509 5.059 4.550 -0.000 0.000 0.325 221 Y C 0.586 176.670 175.900 0.307 0.000 1.203 221 Y CA -0.707 57.542 58.100 0.248 0.000 1.255 221 Y CB 1.416 40.012 38.460 0.226 0.000 1.232 221 Y HN 0.078 nan 8.280 nan 0.000 0.501 222 A N 3.043 126.084 122.820 0.369 0.000 2.260 222 A HA 0.405 4.725 4.320 -0.000 0.000 0.314 222 A C -1.759 175.797 177.584 -0.046 0.000 1.257 222 A CA -0.429 51.677 52.037 0.114 0.000 0.871 222 A CB -0.101 18.819 19.000 -0.133 0.000 1.166 222 A HN 0.792 nan 8.150 nan 0.000 0.522 223 W N 5.050 126.043 121.300 -0.513 0.000 2.424 223 W HA 0.630 5.290 4.660 -0.000 0.000 0.318 223 W C -1.896 174.260 176.519 -0.606 0.000 1.016 223 W CA -0.812 56.060 57.345 -0.788 0.000 1.268 223 W CB 0.805 29.553 29.460 -1.187 0.000 1.297 223 W HN 0.544 nan 8.180 nan 0.000 0.428 224 L N 5.778 126.407 121.223 -0.990 0.000 2.333 224 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 224 L C -0.536 175.801 176.870 -0.888 0.000 1.010 224 L CA -1.085 53.235 54.840 -0.867 0.000 0.818 224 L CB 2.136 43.844 42.059 -0.585 0.000 1.306 224 L HN 0.488 nan 8.230 nan 0.000 0.430 225 D N -2.187 117.811 120.400 -0.671 0.000 2.527 225 D HA 0.354 4.994 4.640 -0.000 0.000 0.233 225 D C -0.024 176.120 176.300 -0.260 0.000 1.063 225 D CA -0.621 53.131 54.000 -0.414 0.000 0.880 225 D CB 1.830 42.446 40.800 -0.306 0.000 1.457 225 D HN 0.508 nan 8.370 nan 0.000 0.475 226 T N -1.702 112.748 114.554 -0.172 0.000 3.268 226 T HA 0.357 4.707 4.350 -0.000 0.000 0.244 226 T C 1.335 175.976 174.700 -0.097 0.000 0.915 226 T CA -0.317 61.707 62.100 -0.127 0.000 0.935 226 T CB -0.210 68.600 68.868 -0.097 0.000 1.110 226 T HN 0.555 nan 8.240 nan 0.000 0.573 227 G N 1.550 110.287 108.800 -0.104 0.000 2.572 227 G HA2 0.218 4.178 3.960 -0.000 0.000 0.216 227 G HA3 0.218 4.178 3.960 -0.000 0.000 0.216 227 G C 0.719 175.539 174.900 -0.134 0.000 1.133 227 G CA 0.634 45.676 45.100 -0.097 0.000 0.791 227 G HN 0.762 nan 8.290 nan 0.000 0.538 228 T N -4.604 109.870 114.554 -0.134 0.000 2.916 228 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 228 T C 0.697 175.326 174.700 -0.118 0.000 1.064 228 T CA -0.585 61.416 62.100 -0.165 0.000 1.011 228 T CB 1.805 70.611 68.868 -0.102 0.000 1.152 228 T HN 0.161 nan 8.240 nan 0.000 0.510 229 H N 0.024 119.077 119.070 -0.028 0.000 2.353 229 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 229 H C 1.487 176.799 175.328 -0.027 0.000 1.090 229 H CA 1.929 57.965 56.048 -0.021 0.000 1.327 229 H CB 0.062 29.817 29.762 -0.012 0.000 1.383 229 H HN 0.604 nan 8.280 nan 0.000 0.508 230 D N -0.273 120.187 120.400 0.100 0.000 2.097 230 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 230 D C 2.452 178.747 176.300 -0.008 0.000 0.989 230 D CA 1.677 55.697 54.000 0.033 0.000 0.827 230 D CB -0.506 40.305 40.800 0.018 0.000 0.966 230 D HN 0.399 nan 8.370 nan 0.000 0.456 231 S N 0.185 115.863 115.700 -0.036 0.000 2.402 231 S HA -0.126 4.344 4.470 -0.000 0.000 0.229 231 S C 2.005 176.552 174.600 -0.087 0.000 1.021 231 S CA 0.548 58.700 58.200 -0.080 0.000 0.974 231 S CB -0.441 62.691 63.200 -0.112 0.000 0.800 231 S HN 0.182 nan 8.310 nan 0.000 0.484 232 L N 0.983 122.173 121.223 -0.055 0.000 2.027 232 L HA 0.150 4.489 4.340 -0.000 0.000 0.206 232 L C 2.317 179.171 176.870 -0.027 0.000 1.074 232 L CA 1.579 56.392 54.840 -0.044 0.000 0.745 232 L CB -1.072 40.983 42.059 -0.006 0.000 0.898 232 L HN 0.389 nan 8.230 nan 0.000 0.433 233 L N 0.021 121.244 121.223 -0.000 0.000 1.990 233 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 233 L C 2.472 179.334 176.870 -0.013 0.000 1.072 233 L CA 2.071 56.912 54.840 0.003 0.000 0.755 233 L CB -0.797 41.270 42.059 0.013 0.000 0.889 233 L HN 0.433 nan 8.230 nan 0.000 0.432 234 E N -1.003 119.181 120.200 -0.027 0.000 2.110 234 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 234 E C 2.107 178.687 176.600 -0.032 0.000 0.988 234 E CA 1.073 57.456 56.400 -0.028 0.000 0.804 234 E CB -0.266 29.405 29.700 -0.048 0.000 0.745 234 E HN 0.666 nan 8.360 nan 0.000 0.458 235 A N 0.910 123.682 122.820 -0.080 0.000 1.968 235 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 235 A C 2.356 179.915 177.584 -0.042 0.000 1.169 235 A CA 1.434 53.404 52.037 -0.110 0.000 0.638 235 A CB -0.844 18.034 19.000 -0.203 0.000 0.812 235 A HN 0.355 nan 8.150 nan 0.000 0.446 236 G N -0.450 108.333 108.800 -0.028 0.000 2.421 236 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 236 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 236 G C 1.578 176.443 174.900 -0.059 0.000 1.171 236 G CA 1.039 46.144 45.100 0.009 0.000 0.775 236 G HN 0.630 nan 8.290 nan 0.000 0.543 237 Q N -0.829 118.941 119.800 -0.050 0.000 2.119 237 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 237 Q C 2.174 178.111 176.000 -0.105 0.000 0.972 237 Q CA 0.971 56.715 55.803 -0.098 0.000 0.847 237 Q CB -0.273 28.438 28.738 -0.045 0.000 0.903 237 Q HN 0.508 nan 8.270 nan 0.000 0.433 238 F N 1.297 121.144 119.950 -0.171 0.000 2.046 238 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 238 F C 1.882 177.549 175.800 -0.221 0.000 1.123 238 F CA 1.229 59.126 58.000 -0.172 0.000 1.199 238 F CB -0.048 38.861 39.000 -0.150 0.000 0.972 238 F HN -0.011 nan 8.300 nan 0.000 0.474 239 I N 0.710 121.250 120.570 -0.050 0.000 2.163 239 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 239 I C 2.763 178.680 176.117 -0.333 0.000 1.085 239 I CA 1.530 62.749 61.300 -0.135 0.000 1.347 239 I CB -2.187 35.847 38.000 0.055 0.000 1.044 239 I HN 0.255 nan 8.210 nan 0.000 0.408 240 A N 0.568 123.025 122.820 -0.606 0.000 1.883 240 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 240 A C 2.454 179.748 177.584 -0.484 0.000 1.186 240 A CA 2.705 54.152 52.037 -0.983 0.000 0.624 240 A CB -1.205 17.081 19.000 -1.190 0.000 0.822 240 A HN 0.427 nan 8.150 nan 0.000 0.444 241 T N 0.406 114.734 114.554 -0.377 0.000 2.746 241 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 241 T C 1.826 176.358 174.700 -0.280 0.000 1.039 241 T CA 1.540 63.465 62.100 -0.291 0.000 1.142 241 T CB -0.414 68.278 68.868 -0.294 0.000 0.866 241 T HN 0.367 nan 8.240 nan 0.000 0.444 242 L N 0.571 121.574 121.223 -0.366 0.000 1.994 242 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 242 L C 2.808 179.569 176.870 -0.183 0.000 1.071 242 L CA 1.529 56.185 54.840 -0.306 0.000 0.745 242 L CB -0.524 41.272 42.059 -0.438 0.000 0.892 242 L HN 0.299 nan 8.230 nan 0.000 0.431 243 E N -0.118 119.977 120.200 -0.175 0.000 2.077 243 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 243 E C 1.897 178.463 176.600 -0.058 0.000 0.989 243 E CA 1.070 57.418 56.400 -0.087 0.000 0.800 243 E CB -0.090 29.599 29.700 -0.018 0.000 0.746 243 E HN 0.463 nan 8.360 nan 0.000 0.452 244 N N 0.584 119.238 118.700 -0.078 0.000 2.331 244 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 244 N C 1.782 177.265 175.510 -0.045 0.000 1.019 244 N CA 0.619 53.642 53.050 -0.045 0.000 0.881 244 N CB -0.065 38.387 38.487 -0.058 0.000 0.972 244 N HN 0.001 nan 8.380 nan 0.000 0.435 245 R N 1.491 121.950 120.500 -0.069 0.000 2.062 245 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 245 R C 1.871 178.157 176.300 -0.023 0.000 1.128 245 R CA 1.550 57.619 56.100 -0.052 0.000 0.960 245 R CB -0.316 29.941 30.300 -0.072 0.000 0.855 245 R HN 0.269 nan 8.270 nan 0.000 0.432 246 Q N -1.574 118.214 119.800 -0.019 0.000 2.250 246 Q HA 0.193 4.533 4.340 -0.000 0.000 0.200 246 Q C 0.736 176.756 176.000 0.035 0.000 0.941 246 Q CA 0.732 56.544 55.803 0.014 0.000 0.872 246 Q CB 0.483 29.238 28.738 0.028 0.000 0.965 246 Q HN 0.607 nan 8.270 nan 0.000 0.480 247 G N 0.873 109.688 108.800 0.025 0.000 2.153 247 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 247 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 247 G C -0.157 174.807 174.900 0.107 0.000 0.994 247 G CA 0.186 45.317 45.100 0.053 0.000 0.698 247 G HN 0.188 nan 8.290 nan 0.000 0.521 248 L N -1.085 120.177 121.223 0.065 0.000 2.323 248 L HA 0.718 5.058 4.340 -0.000 0.000 0.265 248 L C 0.305 177.110 176.870 -0.108 0.000 1.012 248 L CA -1.141 53.766 54.840 0.112 0.000 0.820 248 L CB 1.984 44.135 42.059 0.153 0.000 1.334 248 L HN -0.021 nan 8.230 nan 0.000 0.427 249 K N 0.584 120.847 120.400 -0.228 0.000 2.259 249 K HA 0.603 4.923 4.320 -0.000 0.000 0.249 249 K C -1.327 175.274 176.600 0.001 0.000 0.942 249 K CA -0.812 55.323 56.287 -0.253 0.000 0.816 249 K CB 2.782 34.924 32.500 -0.597 0.000 1.155 249 K HN 0.178 nan 8.250 nan 0.000 0.428 250 V N 1.884 121.840 119.914 0.070 0.000 2.465 250 V HA 0.296 4.416 4.120 -0.000 0.000 0.279 250 V C 0.412 176.571 176.094 0.108 0.000 1.045 250 V CA 0.032 62.445 62.300 0.188 0.000 0.938 250 V CB 0.827 32.776 31.823 0.210 0.000 0.986 250 V HN 1.047 nan 8.190 nan 0.000 0.467 251 A N 3.756 126.646 122.820 0.117 0.000 2.846 251 A HA -0.193 4.127 4.320 -0.000 0.000 0.287 251 A C 0.372 177.925 177.584 -0.051 0.000 1.469 251 A CA 0.466 52.492 52.037 -0.018 0.000 0.757 251 A CB -2.181 16.657 19.000 -0.270 0.000 1.033 251 A HN 0.812 nan 8.150 nan 0.000 0.516 252 C N 0.551 119.856 119.300 0.008 0.000 2.322 252 C HA 0.423 4.883 4.460 -0.000 0.000 0.343 252 C C -0.113 174.780 174.990 -0.163 0.000 1.190 252 C CA -0.498 58.525 59.018 0.010 0.000 1.704 252 C CB 0.108 27.860 27.740 0.020 0.000 2.293 252 C HN 0.586 nan 8.230 nan 0.000 0.523 253 P HA -0.111 nan 4.420 nan 0.000 0.218 253 P C 1.089 178.020 177.300 -0.615 0.000 1.148 253 P CA 1.359 64.092 63.100 -0.610 0.000 0.822 253 P CB 0.264 31.245 31.700 -1.198 0.000 0.784 254 E N -0.101 119.689 120.200 -0.684 0.000 2.110 254 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 254 E C 2.055 178.554 176.600 -0.168 0.000 0.988 254 E CA 1.139 57.292 56.400 -0.411 0.000 0.804 254 E CB -0.681 28.855 29.700 -0.272 0.000 0.745 254 E HN 0.465 nan 8.360 nan 0.000 0.458 255 E N 0.690 120.810 120.200 -0.133 0.000 2.072 255 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 255 E C 1.970 178.549 176.600 -0.034 0.000 0.982 255 E CA 0.869 57.238 56.400 -0.052 0.000 0.803 255 E CB -0.068 29.632 29.700 -0.001 0.000 0.755 255 E HN 0.257 nan 8.360 nan 0.000 0.453 256 I N 1.104 121.623 120.570 -0.084 0.000 2.315 256 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 256 I C 2.574 178.580 176.117 -0.185 0.000 1.117 256 I CA 0.930 62.159 61.300 -0.119 0.000 1.404 256 I CB -0.264 37.681 38.000 -0.091 0.000 1.071 256 I HN 0.214 nan 8.210 nan 0.000 0.419 257 A N 0.191 122.960 122.820 -0.085 0.000 1.902 257 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 257 A C 2.294 179.888 177.584 0.017 0.000 1.181 257 A CA 1.622 53.677 52.037 0.031 0.000 0.623 257 A CB -0.997 18.117 19.000 0.191 0.000 0.818 257 A HN 0.511 nan 8.150 nan 0.000 0.443 258 Y N 0.793 121.039 120.300 -0.090 0.000 2.163 258 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 258 Y C 2.513 178.332 175.900 -0.136 0.000 1.136 258 Y CA 1.951 60.001 58.100 -0.083 0.000 1.147 258 Y CB -0.274 38.134 38.460 -0.087 0.000 0.987 258 Y HN 0.238 nan 8.280 nan 0.000 0.509 259 R N 0.031 120.423 120.500 -0.179 0.000 2.105 259 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 259 R C 1.903 177.983 176.300 -0.368 0.000 1.135 259 R CA 1.730 57.654 56.100 -0.295 0.000 0.967 259 R CB -0.546 29.632 30.300 -0.202 0.000 0.861 259 R HN 0.563 nan 8.270 nan 0.000 0.442 260 Q N 0.739 120.259 119.800 -0.468 0.000 2.482 260 Q HA 0.014 4.354 4.340 -0.000 0.000 0.209 260 Q C -0.050 175.663 176.000 -0.478 0.000 0.961 260 Q CA 0.131 55.532 55.803 -0.671 0.000 0.945 260 Q CB 0.355 28.271 28.738 -1.369 0.000 1.012 260 Q HN 0.095 nan 8.270 nan 0.000 0.515 261 K N -1.784 118.448 120.400 -0.280 0.000 3.339 261 K HA -0.176 4.144 4.320 -0.000 0.000 0.299 261 K C 0.076 176.778 176.600 0.169 0.000 1.270 261 K CA 0.755 56.995 56.287 -0.079 0.000 0.875 261 K CB -1.914 30.560 32.500 -0.043 0.000 1.298 261 K HN 0.406 nan 8.250 nan 0.000 0.485 262 W N 0.911 122.222 121.300 0.018 0.000 2.770 262 W HA 0.267 4.927 4.660 -0.000 0.000 0.256 262 W C 1.425 177.990 176.519 0.075 0.000 1.291 262 W CA 0.329 57.704 57.345 0.050 0.000 1.396 262 W CB -0.084 29.415 29.460 0.065 0.000 1.114 262 W HN 0.296 nan 8.180 nan 0.000 0.637 263 I N -1.291 119.452 120.570 0.289 0.000 2.894 263 I HA 0.436 4.606 4.170 -0.000 0.000 0.302 263 I C -0.611 175.642 176.117 0.226 0.000 1.188 263 I CA -1.214 60.226 61.300 0.234 0.000 1.014 263 I CB 2.086 40.233 38.000 0.245 0.000 1.242 263 I HN -0.279 nan 8.210 nan 0.000 0.430 264 D N 3.623 124.140 120.400 0.195 0.000 2.478 264 D HA 0.553 5.193 4.640 -0.000 0.000 0.263 264 D C 1.191 177.652 176.300 0.268 0.000 1.153 264 D CA -0.234 53.891 54.000 0.209 0.000 1.038 264 D CB 1.079 41.955 40.800 0.126 0.000 1.120 264 D HN 0.693 nan 8.370 nan 0.000 0.564 265 A N -0.040 122.953 122.820 0.289 0.000 1.917 265 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 265 A C 2.159 179.757 177.584 0.023 0.000 1.182 265 A CA 2.740 54.863 52.037 0.143 0.000 0.633 265 A CB -1.509 17.574 19.000 0.138 0.000 0.819 265 A HN 0.682 nan 8.150 nan 0.000 0.448 266 A N -0.802 122.052 122.820 0.056 0.000 1.902 266 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 266 A C 2.110 179.716 177.584 0.036 0.000 1.181 266 A CA 1.637 53.695 52.037 0.035 0.000 0.623 266 A CB -0.557 18.470 19.000 0.044 0.000 0.818 266 A HN 0.677 nan 8.150 nan 0.000 0.443 267 Q N -1.135 118.702 119.800 0.063 0.000 2.167 267 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 267 Q C 2.020 178.056 176.000 0.060 0.000 0.970 267 Q CA 1.255 57.105 55.803 0.078 0.000 0.855 267 Q CB -0.274 28.533 28.738 0.115 0.000 0.911 267 Q HN 0.595 nan 8.270 nan 0.000 0.438 268 L N 0.975 122.203 121.223 0.008 0.000 2.109 268 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 268 L C 2.161 178.989 176.870 -0.070 0.000 1.086 268 L CA 1.838 56.636 54.840 -0.071 0.000 0.760 268 L CB -0.314 41.572 42.059 -0.288 0.000 0.910 268 L HN 0.135 nan 8.230 nan 0.000 0.437 269 E N -0.362 119.796 120.200 -0.070 0.000 2.118 269 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 269 E C 2.224 178.822 176.600 -0.003 0.000 0.992 269 E CA 1.452 57.823 56.400 -0.048 0.000 0.804 269 E CB -0.122 29.554 29.700 -0.039 0.000 0.741 269 E HN 0.509 nan 8.360 nan 0.000 0.458 270 K N 0.087 120.499 120.400 0.019 0.000 2.155 270 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 270 K C 2.093 178.733 176.600 0.067 0.000 1.052 270 K CA 0.744 57.056 56.287 0.042 0.000 0.948 270 K CB 0.024 32.552 32.500 0.047 0.000 0.728 270 K HN 0.205 nan 8.250 nan 0.000 0.448 271 L N 0.301 121.575 121.223 0.086 0.000 2.093 271 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 271 L C 2.528 179.469 176.870 0.119 0.000 1.085 271 L CA 1.118 56.040 54.840 0.137 0.000 0.755 271 L CB -0.445 41.719 42.059 0.174 0.000 0.904 271 L HN 0.246 nan 8.230 nan 0.000 0.435 272 A N 0.000 122.859 122.820 0.066 0.000 1.929 272 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 272 A C 2.575 180.196 177.584 0.062 0.000 1.176 272 A CA 1.354 53.424 52.037 0.056 0.000 0.628 272 A CB -0.593 18.404 19.000 -0.006 0.000 0.816 272 A HN 0.364 nan 8.150 nan 0.000 0.444 273 A N 0.630 123.478 122.820 0.047 0.000 1.903 273 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 273 A C 0.203 177.817 177.584 0.051 0.000 1.191 273 A CA 2.152 54.213 52.037 0.041 0.000 0.638 273 A CB -1.838 17.182 19.000 0.034 0.000 0.823 273 A HN 0.483 nan 8.150 nan 0.000 0.451 274 P HA 0.041 nan 4.420 nan 0.000 0.229 274 P C 0.848 178.190 177.300 0.071 0.000 1.160 274 P CA 0.638 63.775 63.100 0.061 0.000 0.777 274 P CB 0.012 31.753 31.700 0.068 0.000 0.814 275 L N -1.812 119.469 121.223 0.096 0.000 2.640 275 L HA 0.271 4.611 4.340 -0.000 0.000 0.230 275 L C 2.070 179.001 176.870 0.102 0.000 1.123 275 L CA 0.080 54.991 54.840 0.118 0.000 0.900 275 L CB -0.505 41.678 42.059 0.207 0.000 1.146 275 L HN -0.108 nan 8.230 nan 0.000 0.484 276 A N 0.160 123.023 122.820 0.073 0.000 2.070 276 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 276 A C 2.105 179.718 177.584 0.048 0.000 1.159 276 A CA 1.239 53.309 52.037 0.055 0.000 0.656 276 A CB -0.152 18.870 19.000 0.037 0.000 0.800 276 A HN 0.141 nan 8.150 nan 0.000 0.453 277 K N 0.369 120.796 120.400 0.045 0.000 2.366 277 K HA -0.026 4.293 4.320 -0.000 0.000 0.198 277 K C 0.183 176.806 176.600 0.039 0.000 1.044 277 K CA 0.819 57.127 56.287 0.035 0.000 0.973 277 K CB -0.491 32.025 32.500 0.026 0.000 0.767 277 K HN 0.898 nan 8.250 nan 0.000 0.475 278 N N -2.539 116.195 118.700 0.055 0.000 2.619 278 N HA 0.278 5.018 4.740 -0.000 0.000 0.294 278 N C 1.174 176.736 175.510 0.086 0.000 1.279 278 N CA -0.342 52.742 53.050 0.058 0.000 0.867 278 N CB 0.200 38.717 38.487 0.049 0.000 1.329 278 N HN -0.185 nan 8.380 nan 0.000 0.557 279 G N -0.974 107.876 108.800 0.083 0.000 2.475 279 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 279 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 279 G C 0.904 175.897 174.900 0.154 0.000 1.125 279 G CA 0.799 45.957 45.100 0.095 0.000 0.755 279 G HN 0.628 nan 8.290 nan 0.000 0.565 280 Y N 1.550 121.875 120.300 0.042 0.000 2.220 280 Y HA 0.064 4.614 4.550 -0.000 0.000 0.291 280 Y C 2.806 178.780 175.900 0.124 0.000 1.129 280 Y CA 1.459 59.606 58.100 0.078 0.000 1.161 280 Y CB -0.266 38.222 38.460 0.047 0.000 0.997 280 Y HN 0.142 nan 8.280 nan 0.000 0.522 281 G N -0.683 108.273 108.800 0.260 0.000 2.408 281 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 281 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 281 G C 1.384 176.325 174.900 0.068 0.000 1.150 281 G CA 0.811 46.004 45.100 0.154 0.000 0.776 281 G HN 0.445 nan 8.290 nan 0.000 0.542 282 Q N -1.038 118.808 119.800 0.076 0.000 2.079 282 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 282 Q C 2.194 178.211 176.000 0.028 0.000 0.974 282 Q CA 1.284 57.112 55.803 0.042 0.000 0.840 282 Q CB -0.317 28.453 28.738 0.054 0.000 0.898 282 Q HN 0.623 nan 8.270 nan 0.000 0.430 283 Y N 1.272 121.523 120.300 -0.082 0.000 2.145 283 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 283 Y C 1.719 177.521 175.900 -0.162 0.000 1.145 283 Y CA 1.395 59.418 58.100 -0.128 0.000 1.148 283 Y CB -0.209 38.139 38.460 -0.187 0.000 0.981 283 Y HN 0.011 nan 8.280 nan 0.000 0.507 284 L N 0.134 121.230 121.223 -0.212 0.000 2.079 284 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 284 L C 2.471 179.168 176.870 -0.288 0.000 1.081 284 L CA 1.690 56.347 54.840 -0.304 0.000 0.752 284 L CB -0.600 41.367 42.059 -0.153 0.000 0.896 284 L HN 0.223 nan 8.230 nan 0.000 0.433 285 K N -0.030 120.262 120.400 -0.180 0.000 2.025 285 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 285 K C 2.219 178.710 176.600 -0.182 0.000 1.049 285 K CA 1.237 57.434 56.287 -0.151 0.000 0.933 285 K CB -0.201 32.252 32.500 -0.079 0.000 0.714 285 K HN 0.176 nan 8.250 nan 0.000 0.438 286 R N 1.529 121.916 120.500 -0.188 0.000 2.103 286 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 286 R C 2.251 178.409 176.300 -0.236 0.000 1.142 286 R CA 1.116 57.108 56.100 -0.181 0.000 0.960 286 R CB -0.342 29.865 30.300 -0.156 0.000 0.858 286 R HN 0.135 nan 8.270 nan 0.000 0.439 287 L N 0.645 121.648 121.223 -0.368 0.000 2.137 287 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 287 L C 2.304 179.028 176.870 -0.242 0.000 1.085 287 L CA 1.296 55.929 54.840 -0.346 0.000 0.760 287 L CB -0.464 41.321 42.059 -0.458 0.000 0.893 287 L HN 0.344 nan 8.230 nan 0.000 0.434 288 L N -0.628 120.436 121.223 -0.265 0.000 2.201 288 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 288 L C 2.156 178.977 176.870 -0.080 0.000 1.105 288 L CA 1.698 56.425 54.840 -0.188 0.000 0.775 288 L CB -0.475 41.474 42.059 -0.184 0.000 0.913 288 L HN 0.401 nan 8.230 nan 0.000 0.440 289 T N -4.764 109.738 114.554 -0.087 0.000 3.129 289 T HA 0.176 4.526 4.350 -0.000 0.000 0.267 289 T C 0.284 174.948 174.700 -0.060 0.000 1.018 289 T CA -0.378 61.688 62.100 -0.058 0.000 0.903 289 T CB 0.216 69.051 68.868 -0.055 0.000 1.067 289 T HN 0.171 nan 8.240 nan 0.000 0.549 290 E N 1.258 121.412 120.200 -0.078 0.000 2.256 290 E HA 0.379 4.729 4.350 -0.000 0.000 0.268 290 E C -1.251 175.279 176.600 -0.117 0.000 0.877 290 E CA -0.558 55.789 56.400 -0.089 0.000 0.757 290 E CB 1.821 31.464 29.700 -0.095 0.000 1.183 290 E HN 0.088 nan 8.360 nan 0.000 0.418 291 T N 2.733 117.194 114.554 -0.155 0.000 2.749 291 T HA 0.281 4.631 4.350 -0.000 0.000 0.295 291 T C -0.426 174.016 174.700 -0.431 0.000 0.936 291 T CA -0.371 61.561 62.100 -0.280 0.000 1.060 291 T CB 0.766 69.446 68.868 -0.313 0.000 0.904 291 T HN 0.182 nan 8.240 nan 0.000 0.500 292 V N 5.128 124.803 119.914 -0.397 0.000 2.378 292 V HA 0.371 4.490 4.120 -0.000 0.000 0.288 292 V C -0.626 175.264 176.094 -0.341 0.000 1.016 292 V CA -1.069 61.039 62.300 -0.321 0.000 0.840 292 V CB 0.271 32.017 31.823 -0.128 0.000 0.994 292 V HN 0.797 nan 8.190 nan 0.000 0.431 293 Y N 0.000 120.306 120.300 0.009 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.104 58.100 0.007 0.000 1.940 293 Y CB 0.000 38.466 38.460 0.010 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758