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 2vcg_1_C DATA FIRST_RESID 8 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADIR 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.641 177.584 0.095 0.000 1.274 8 A CA 0.000 52.083 52.037 0.077 0.000 0.836 8 A CB 0.000 19.041 19.000 0.068 0.000 0.831 9 I N 2.783 123.418 120.570 0.109 0.000 2.355 9 I HA 0.459 4.638 4.170 0.015 0.000 0.288 9 I C 1.081 177.295 176.117 0.162 0.000 0.999 9 I CA -0.281 61.102 61.300 0.138 0.000 1.163 9 I CB 0.818 38.901 38.000 0.139 0.000 1.316 9 I HN 0.800 nan 8.210 nan 0.000 0.454 10 G N 5.693 114.597 108.800 0.172 0.000 2.483 10 G HA2 0.248 4.217 3.960 0.015 0.000 0.248 10 G HA3 0.248 4.217 3.960 0.015 0.000 0.248 10 G C -1.458 173.615 174.900 0.289 0.000 1.248 10 G CA 0.015 45.228 45.100 0.188 0.000 0.838 10 G HN 0.542 nan 8.290 nan 0.000 0.566 11 Y N 1.493 121.868 120.300 0.126 0.000 2.386 11 Y HA 0.497 5.056 4.550 0.015 0.000 0.334 11 Y C -0.994 175.003 175.900 0.162 0.000 1.002 11 Y CA -0.998 57.196 58.100 0.156 0.000 1.068 11 Y CB 2.006 40.538 38.460 0.121 0.000 1.203 11 Y HN 0.433 nan 8.280 nan 0.000 0.443 12 V N 6.772 126.466 119.914 -0.366 0.000 2.378 12 V HA 0.325 4.454 4.120 0.015 0.000 0.288 12 V C -1.056 174.842 176.094 -0.327 0.000 1.016 12 V CA -0.745 61.411 62.300 -0.241 0.000 0.840 12 V CB 1.372 33.179 31.823 -0.027 0.000 0.994 12 V HN 0.827 nan 8.190 nan 0.000 0.431 13 W N 6.366 127.382 121.300 -0.475 0.000 3.042 13 W HA 0.455 5.123 4.660 0.014 0.000 0.337 13 W C -1.643 174.584 176.519 -0.487 0.000 1.086 13 W CA -0.597 56.513 57.345 -0.391 0.000 1.236 13 W CB 2.051 31.175 29.460 -0.559 0.000 1.381 13 W HN 0.582 nan 8.180 nan 0.000 0.472 14 N N 3.036 120.769 118.700 -1.612 0.000 2.372 14 N HA 0.155 4.904 4.740 0.015 0.000 0.291 14 N C 0.806 175.233 175.510 -1.805 0.000 1.024 14 N CA 0.029 52.146 53.050 -1.555 0.000 0.873 14 N CB 2.098 39.603 38.487 -1.637 0.000 1.206 14 N HN 0.429 nan 8.380 nan 0.000 0.486 15 T N 3.328 117.244 114.554 -1.065 0.000 2.680 15 T HA -0.171 4.188 4.350 0.015 0.000 0.268 15 T C 1.839 176.020 174.700 -0.865 0.000 1.033 15 T CA 1.372 63.038 62.100 -0.724 0.000 1.152 15 T CB -0.089 68.461 68.868 -0.530 0.000 0.859 15 T HN 0.528 nan 8.240 nan 0.000 0.452 16 L N -0.468 120.194 121.223 -0.935 0.000 2.275 16 L HA -0.063 4.286 4.340 0.015 0.000 0.215 16 L C 2.230 178.912 176.870 -0.314 0.000 1.119 16 L CA 1.176 55.614 54.840 -0.670 0.000 0.790 16 L CB -0.701 41.053 42.059 -0.508 0.000 0.919 16 L HN 0.448 nan 8.230 nan 0.000 0.443 17 Y N -0.033 119.904 120.300 -0.605 0.000 2.193 17 Y HA -0.226 4.333 4.550 0.015 0.000 0.285 17 Y C 2.477 178.263 175.900 -0.189 0.000 1.166 17 Y CA 0.362 58.154 58.100 -0.514 0.000 1.181 17 Y CB -0.444 37.446 38.460 -0.949 0.000 0.976 17 Y HN 0.256 nan 8.280 nan 0.000 0.520 18 G N -1.786 107.070 108.800 0.093 0.000 2.920 18 G HA2 -0.140 3.829 3.960 0.015 0.000 0.208 18 G HA3 -0.140 3.829 3.960 0.015 0.000 0.208 18 G C 0.420 175.598 174.900 0.464 0.000 1.159 18 G CA -0.035 45.336 45.100 0.452 0.000 0.784 18 G HN 0.378 nan 8.290 nan 0.000 0.535 19 W N 0.341 121.630 121.300 -0.019 0.000 3.132 19 W HA 0.409 5.077 4.660 0.014 0.000 0.364 19 W C 0.276 176.745 176.519 -0.083 0.000 1.129 19 W CA -1.419 55.896 57.345 -0.050 0.000 1.815 19 W CB -0.254 29.171 29.460 -0.057 0.000 1.099 19 W HN -0.210 nan 8.180 nan 0.000 0.605 20 V N 2.529 122.509 119.914 0.110 0.000 2.493 20 V HA -0.098 4.031 4.120 0.015 0.000 0.292 20 V C 0.501 176.538 176.094 -0.095 0.000 1.016 20 V CA 0.205 62.507 62.300 0.003 0.000 1.097 20 V CB 0.144 31.956 31.823 -0.019 0.000 0.947 20 V HN -0.116 nan 8.190 nan 0.000 0.479 21 D N 4.369 124.714 120.400 -0.092 0.000 2.338 21 D HA 0.096 4.744 4.640 0.015 0.000 0.255 21 D C 1.202 177.384 176.300 -0.195 0.000 1.237 21 D CA 0.125 54.042 54.000 -0.138 0.000 0.883 21 D CB 1.427 42.171 40.800 -0.094 0.000 1.087 21 D HN 0.754 nan 8.370 nan 0.000 0.485 22 T N 0.708 115.104 114.554 -0.262 0.000 3.086 22 T HA 0.437 4.796 4.350 0.015 0.000 0.250 22 T C 1.151 175.645 174.700 -0.343 0.000 1.074 22 T CA 0.161 62.017 62.100 -0.407 0.000 0.988 22 T CB 0.118 68.714 68.868 -0.453 0.000 0.988 22 T HN 0.568 nan 8.240 nan 0.000 0.530 23 G N 1.869 110.573 108.800 -0.159 0.000 2.553 23 G HA2 -0.205 3.764 3.960 0.015 0.000 0.242 23 G HA3 -0.205 3.764 3.960 0.015 0.000 0.242 23 G C 0.484 175.391 174.900 0.013 0.000 1.277 23 G CA 0.601 45.663 45.100 -0.064 0.000 0.910 23 G HN 1.148 nan 8.290 nan 0.000 0.576 24 T N -2.025 112.561 114.554 0.053 0.000 3.209 24 T HA 0.629 4.988 4.350 0.015 0.000 0.295 24 T C 1.057 175.811 174.700 0.090 0.000 0.977 24 T CA 1.113 63.252 62.100 0.065 0.000 0.922 24 T CB 0.460 69.344 68.868 0.027 0.000 1.152 24 T HN 1.940 nan 8.240 nan 0.000 0.527 25 G N 0.704 109.595 108.800 0.151 0.000 2.557 25 G HA2 0.490 4.459 3.960 0.015 0.000 0.292 25 G HA3 0.490 4.459 3.960 0.015 0.000 0.292 25 G C 0.566 175.497 174.900 0.052 0.000 1.237 25 G CA -0.290 44.882 45.100 0.120 0.000 0.978 25 G HN 0.203 nan 8.290 nan 0.000 0.498 26 S N -0.787 114.847 115.700 -0.109 0.000 2.371 26 S HA 0.081 4.560 4.470 0.015 0.000 0.219 26 S C 1.611 175.781 174.600 -0.717 0.000 1.040 26 S CA 0.681 58.694 58.200 -0.312 0.000 0.958 26 S CB -0.144 62.968 63.200 -0.145 0.000 0.860 26 S HN 0.296 nan 8.310 nan 0.000 0.487 27 L N -0.166 120.869 121.223 -0.312 0.000 3.147 27 L HA 0.549 4.898 4.340 0.015 0.000 0.166 27 L C 0.861 177.825 176.870 0.157 0.000 1.146 27 L CA 0.491 55.270 54.840 -0.102 0.000 0.858 27 L CB -0.969 41.054 42.059 -0.060 0.000 1.500 27 L HN 0.193 nan 8.230 nan 0.000 0.547 28 A N 0.292 123.160 122.820 0.079 0.000 2.259 28 A HA 0.720 5.049 4.320 0.015 0.000 0.278 28 A C 0.244 177.886 177.584 0.097 0.000 1.107 28 A CA 0.121 52.216 52.037 0.097 0.000 0.828 28 A CB -0.241 18.788 19.000 0.050 0.000 1.111 28 A HN 0.305 nan 8.150 nan 0.000 0.498 29 A N -0.454 122.415 122.820 0.081 0.000 2.466 29 A HA 0.507 4.836 4.320 0.015 0.000 0.238 29 A C 0.855 178.467 177.584 0.046 0.000 1.074 29 A CA 0.231 52.309 52.037 0.069 0.000 0.774 29 A CB -0.560 18.468 19.000 0.047 0.000 1.015 29 A HN 2.217 nan 8.150 nan 0.000 0.498 30 A N 1.892 124.738 122.820 0.043 0.000 2.520 30 A HA 0.389 4.717 4.320 0.015 0.000 0.245 30 A C 0.403 178.000 177.584 0.022 0.000 1.072 30 A CA 0.095 52.149 52.037 0.028 0.000 0.761 30 A CB -0.334 18.682 19.000 0.027 0.000 1.004 30 A HN 0.855 nan 8.150 nan 0.000 0.499 31 N N 2.673 121.384 118.700 0.017 0.000 2.540 31 N HA 0.194 4.943 4.740 0.015 0.000 0.275 31 N C 0.153 175.670 175.510 0.011 0.000 1.053 31 N CA -0.645 52.414 53.050 0.014 0.000 0.876 31 N CB 1.227 39.722 38.487 0.014 0.000 1.284 31 N HN 0.402 nan 8.380 nan 0.000 0.518 32 L N 3.523 124.752 121.223 0.010 0.000 2.046 32 L HA 0.002 4.351 4.340 0.015 0.000 0.208 32 L C 1.742 178.616 176.870 0.008 0.000 1.077 32 L CA 2.024 56.869 54.840 0.009 0.000 0.747 32 L CB -0.711 41.352 42.059 0.007 0.000 0.896 32 L HN 0.583 nan 8.230 nan 0.000 0.432 33 T N -0.268 114.290 114.554 0.007 0.000 2.788 33 T HA -0.133 4.226 4.350 0.015 0.000 0.268 33 T C 1.770 176.474 174.700 0.007 0.000 1.044 33 T CA 1.257 63.361 62.100 0.007 0.000 1.139 33 T CB -0.476 68.396 68.868 0.006 0.000 0.867 33 T HN 0.484 nan 8.240 nan 0.000 0.454 34 A N 0.764 123.589 122.820 0.008 0.000 2.167 34 A HA 0.081 4.410 4.320 0.015 0.000 0.214 34 A C 0.932 178.521 177.584 0.008 0.000 1.151 34 A CA 0.211 52.253 52.037 0.008 0.000 0.735 34 A CB -0.164 18.841 19.000 0.009 0.000 0.802 34 A HN 0.313 nan 8.150 nan 0.000 0.467 35 R N -1.887 118.618 120.500 0.008 0.000 3.423 35 R HA -0.164 4.185 4.340 0.015 0.000 0.271 35 R C -0.725 175.580 176.300 0.009 0.000 1.093 35 R CA 1.026 57.131 56.100 0.008 0.000 0.730 35 R CB -2.781 27.523 30.300 0.008 0.000 1.190 35 R HN 0.656 nan 8.270 nan 0.000 0.437 36 M N 0.952 120.557 119.600 0.009 0.000 2.201 36 M HA 0.137 4.626 4.480 0.015 0.000 0.345 36 M C 0.995 177.301 176.300 0.010 0.000 1.352 36 M CA 0.283 55.588 55.300 0.009 0.000 1.218 36 M CB 1.105 33.710 32.600 0.009 0.000 1.512 36 M HN 0.044 nan 8.290 nan 0.000 0.447 37 Q N 4.420 124.226 119.800 0.010 0.000 2.330 37 Q HA 0.175 4.524 4.340 0.015 0.000 0.279 37 Q C -2.142 173.867 176.000 0.015 0.000 1.024 37 Q CA -1.359 54.452 55.803 0.012 0.000 0.900 37 Q CB 0.621 29.366 28.738 0.012 0.000 1.221 37 Q HN 0.291 nan 8.270 nan 0.000 0.396 38 P HA 0.039 nan 4.420 nan 0.000 0.267 38 P C -0.983 176.330 177.300 0.023 0.000 1.200 38 P CA 0.357 63.469 63.100 0.021 0.000 0.772 38 P CB 0.443 32.153 31.700 0.017 0.000 0.855 39 I N 0.584 121.173 120.570 0.030 0.000 2.647 39 I HA 0.187 4.365 4.170 0.015 0.000 0.295 39 I C 1.198 177.339 176.117 0.041 0.000 1.078 39 I CA -0.405 60.917 61.300 0.038 0.000 1.048 39 I CB 2.022 40.045 38.000 0.038 0.000 1.239 39 I HN 0.365 nan 8.210 nan 0.000 0.421 40 S N 3.688 119.412 115.700 0.039 0.000 2.383 40 S HA -0.066 4.413 4.470 0.015 0.000 0.227 40 S C 0.543 175.070 174.600 -0.120 0.000 1.026 40 S CA 0.909 59.098 58.200 -0.018 0.000 0.981 40 S CB -0.421 62.785 63.200 0.010 0.000 0.818 40 S HN 0.724 nan 8.310 nan 0.000 0.472 41 H N 1.073 120.147 119.070 0.007 0.000 2.690 41 H HA 0.473 5.038 4.556 0.014 0.000 0.280 41 H C -0.234 175.155 175.328 0.102 0.000 1.138 41 H CA -0.656 55.392 56.048 0.001 0.000 1.241 41 H CB 0.173 29.858 29.762 -0.129 0.000 1.394 41 H HN 0.470 nan 8.280 nan 0.000 0.489 42 H N 2.168 121.324 119.070 0.144 0.000 3.016 42 H HA -0.076 4.489 4.556 0.015 0.000 0.345 42 H C 1.158 176.561 175.328 0.125 0.000 1.066 42 H CA 0.220 56.323 56.048 0.093 0.000 1.390 42 H CB 0.865 30.643 29.762 0.027 0.000 1.344 42 H HN 0.666 nan 8.280 nan 0.000 0.605 43 L N 3.009 124.130 121.223 -0.170 0.000 2.043 43 L HA -0.240 4.109 4.340 0.015 0.000 0.212 43 L C 1.954 178.988 176.870 0.273 0.000 1.075 43 L CA 1.705 56.553 54.840 0.014 0.000 0.752 43 L CB -0.483 41.475 42.059 -0.169 0.000 0.891 43 L HN 0.813 nan 8.230 nan 0.000 0.432 44 A N -2.391 120.641 122.820 0.353 0.000 2.370 44 A HA -0.013 4.316 4.320 0.015 0.000 0.238 44 A C 0.599 178.289 177.584 0.177 0.000 1.289 44 A CA -0.326 51.853 52.037 0.236 0.000 0.885 44 A CB -0.759 17.931 19.000 -0.517 0.000 0.961 44 A HN 0.346 nan 8.150 nan 0.000 0.499 45 H N 1.672 120.859 119.070 0.195 0.000 3.140 45 H HA -0.003 4.561 4.556 0.014 0.000 0.316 45 H C -1.490 173.938 175.328 0.166 0.000 0.986 45 H CA -0.276 55.865 56.048 0.154 0.000 1.397 45 H CB 1.120 31.037 29.762 0.257 0.000 1.377 45 H HN 0.178 nan 8.280 nan 0.000 0.585 46 P HA -0.082 nan 4.420 nan 0.000 0.234 46 P C 0.739 178.232 177.300 0.322 0.000 1.167 46 P CA 0.510 63.695 63.100 0.141 0.000 0.763 46 P CB 0.382 32.130 31.700 0.080 0.000 0.835 47 D N -0.215 120.499 120.400 0.523 0.000 2.149 47 D HA -0.117 4.532 4.640 0.015 0.000 0.198 47 D C 1.859 178.302 176.300 0.239 0.000 0.990 47 D CA 1.409 55.655 54.000 0.410 0.000 0.839 47 D CB -0.790 40.245 40.800 0.392 0.000 0.948 47 D HN 0.123 nan 8.370 nan 0.000 0.460 48 T N 0.413 115.101 114.554 0.223 0.000 2.708 48 T HA -0.124 4.234 4.350 0.015 0.000 0.266 48 T C 1.867 176.658 174.700 0.151 0.000 1.037 48 T CA 1.185 63.364 62.100 0.131 0.000 1.146 48 T CB -0.040 68.898 68.868 0.117 0.000 0.865 48 T HN 0.184 nan 8.240 nan 0.000 0.435 49 K N 0.481 121.012 120.400 0.217 0.000 2.103 49 K HA 0.077 4.406 4.320 0.015 0.000 0.204 49 K C 2.619 179.298 176.600 0.131 0.000 1.052 49 K CA 0.562 57.014 56.287 0.275 0.000 0.945 49 K CB -0.054 32.665 32.500 0.364 0.000 0.722 49 K HN 0.066 nan 8.250 nan 0.000 0.443 50 R N 1.185 121.783 120.500 0.164 0.000 2.081 50 R HA -0.082 4.267 4.340 0.015 0.000 0.235 50 R C 2.161 178.402 176.300 -0.099 0.000 1.131 50 R CA 1.427 57.504 56.100 -0.038 0.000 0.960 50 R CB -0.068 30.380 30.300 0.246 0.000 0.856 50 R HN 0.179 nan 8.270 nan 0.000 0.436 51 R N -0.568 119.936 120.500 0.007 0.000 2.096 51 R HA -0.152 4.197 4.340 0.015 0.000 0.235 51 R C 2.163 178.434 176.300 -0.047 0.000 1.127 51 R CA 1.334 57.416 56.100 -0.029 0.000 0.968 51 R CB -0.422 29.871 30.300 -0.012 0.000 0.861 51 R HN 0.170 nan 8.270 nan 0.000 0.440 52 F N 1.329 121.159 119.950 -0.201 0.000 2.075 52 F HA -0.228 4.308 4.527 0.015 0.000 0.297 52 F C 2.288 177.925 175.800 -0.272 0.000 1.113 52 F CA 2.014 59.865 58.000 -0.249 0.000 1.218 52 F CB -1.118 37.782 39.000 -0.166 0.000 0.984 52 F HN 0.059 nan 8.300 nan 0.000 0.472 53 H N 0.327 119.079 119.070 -0.529 0.000 2.319 53 H HA -0.168 4.397 4.556 0.015 0.000 0.297 53 H C 2.090 177.151 175.328 -0.445 0.000 1.097 53 H CA 2.612 58.241 56.048 -0.697 0.000 1.285 53 H CB -0.452 28.432 29.762 -1.464 0.000 1.368 53 H HN 0.485 nan 8.280 nan 0.000 0.495 54 E N -0.570 119.342 120.200 -0.481 0.000 2.106 54 E HA -0.131 4.228 4.350 0.015 0.000 0.192 54 E C 2.210 178.612 176.600 -0.331 0.000 0.984 54 E CA 0.922 57.079 56.400 -0.405 0.000 0.806 54 E CB -0.117 29.469 29.700 -0.190 0.000 0.750 54 E HN 0.367 nan 8.360 nan 0.000 0.458 55 L N 0.867 121.925 121.223 -0.275 0.000 2.056 55 L HA -0.140 4.209 4.340 0.015 0.000 0.207 55 L C 2.222 178.934 176.870 -0.264 0.000 1.078 55 L CA 1.278 55.959 54.840 -0.265 0.000 0.749 55 L CB -0.379 41.470 42.059 -0.350 0.000 0.901 55 L HN -0.085 nan 8.230 nan 0.000 0.433 56 V N -0.828 118.905 119.914 -0.301 0.000 2.282 56 V HA -0.415 3.714 4.120 0.015 0.000 0.249 56 V C 2.609 178.479 176.094 -0.374 0.000 1.057 56 V CA 2.081 64.161 62.300 -0.367 0.000 1.032 56 V CB -0.941 30.535 31.823 -0.577 0.000 0.645 56 V HN 0.656 nan 8.190 nan 0.000 0.447 57 C N -0.020 119.017 119.300 -0.439 0.000 2.508 57 C HA 0.009 4.478 4.460 0.015 0.000 0.280 57 C C 3.087 177.947 174.990 -0.216 0.000 1.262 57 C CA 0.560 59.379 59.018 -0.332 0.000 1.706 57 C CB -1.419 26.093 27.740 -0.379 0.000 2.078 57 C HN 0.619 nan 8.230 nan 0.000 0.480 58 A N 1.437 124.138 122.820 -0.198 0.000 1.978 58 A HA -0.159 4.170 4.320 0.015 0.000 0.220 58 A C 2.238 179.766 177.584 -0.095 0.000 1.170 58 A CA 2.261 54.223 52.037 -0.125 0.000 0.636 58 A CB -0.763 18.173 19.000 -0.108 0.000 0.810 58 A HN 0.746 nan 8.150 nan 0.000 0.448 59 S N -2.123 113.511 115.700 -0.110 0.000 2.489 59 S HA 0.323 4.801 4.470 0.015 0.000 0.228 59 S C 1.567 176.138 174.600 -0.048 0.000 0.995 59 S CA 1.187 59.347 58.200 -0.066 0.000 0.934 59 S CB -0.321 62.833 63.200 -0.077 0.000 0.771 59 S HN 1.913 nan 8.310 nan 0.000 0.522 60 G N 0.699 109.451 108.800 -0.080 0.000 2.175 60 G HA2 -0.287 3.682 3.960 0.015 0.000 0.244 60 G HA3 -0.287 3.682 3.960 0.015 0.000 0.244 60 G C 0.908 175.775 174.900 -0.055 0.000 0.982 60 G CA 0.366 45.423 45.100 -0.072 0.000 0.641 60 G HN 0.397 nan 8.290 nan 0.000 0.527 61 Q N -0.249 119.524 119.800 -0.046 0.000 2.135 61 Q HA -0.041 4.308 4.340 0.015 0.000 0.204 61 Q C 2.610 178.548 176.000 -0.104 0.000 0.981 61 Q CA 1.555 57.357 55.803 -0.002 0.000 0.856 61 Q CB -0.278 28.402 28.738 -0.097 0.000 0.902 61 Q HN 0.726 nan 8.270 nan 0.000 0.425 62 I N 1.866 122.303 120.570 -0.223 0.000 2.236 62 I HA -0.265 3.914 4.170 0.015 0.000 0.249 62 I C 1.627 177.638 176.117 -0.178 0.000 1.102 62 I CA 1.496 62.651 61.300 -0.242 0.000 1.365 62 I CB -0.126 37.735 38.000 -0.232 0.000 1.051 62 I HN 0.080 nan 8.210 nan 0.000 0.420 63 E N -0.319 119.732 120.200 -0.248 0.000 2.333 63 E HA -0.178 4.181 4.350 0.015 0.000 0.198 63 E C 1.575 177.939 176.600 -0.393 0.000 1.007 63 E CA 1.073 57.269 56.400 -0.341 0.000 0.845 63 E CB -0.547 28.878 29.700 -0.458 0.000 0.766 63 E HN 0.679 nan 8.360 nan 0.000 0.507 64 H N -0.861 118.179 119.070 -0.049 0.000 2.652 64 H HA 0.287 4.852 4.556 0.015 0.000 0.274 64 H C 0.502 175.822 175.328 -0.015 0.000 1.021 64 H CA -0.032 55.999 56.048 -0.028 0.000 1.187 64 H CB 0.803 30.546 29.762 -0.031 0.000 1.505 64 H HN 0.015 nan 8.280 nan 0.000 0.530 65 L N 0.826 122.074 121.223 0.042 0.000 2.330 65 L HA 0.332 4.681 4.340 0.015 0.000 0.271 65 L C 0.183 177.100 176.870 0.078 0.000 1.013 65 L CA -0.678 54.200 54.840 0.062 0.000 0.816 65 L CB 2.034 44.093 42.059 0.001 0.000 1.287 65 L HN -0.143 nan 8.230 nan 0.000 0.435 66 T N 2.366 116.991 114.554 0.117 0.000 2.781 66 T HA 0.300 4.659 4.350 0.015 0.000 0.305 66 T C -2.508 172.284 174.700 0.154 0.000 1.001 66 T CA -1.278 60.887 62.100 0.109 0.000 0.950 66 T CB 0.787 69.710 68.868 0.092 0.000 0.955 66 T HN 0.220 nan 8.240 nan 0.000 0.471 67 P HA 0.202 nan 4.420 nan 0.000 0.267 67 P C -0.658 176.708 177.300 0.110 0.000 1.209 67 P CA -0.364 62.851 63.100 0.191 0.000 0.763 67 P CB 0.333 32.133 31.700 0.168 0.000 0.816 68 I N 2.751 123.375 120.570 0.090 0.000 2.362 68 I HA 0.350 4.529 4.170 0.015 0.000 0.289 68 I C 0.613 176.726 176.117 -0.006 0.000 0.994 68 I CA -1.517 59.807 61.300 0.039 0.000 1.158 68 I CB 0.968 38.994 38.000 0.044 0.000 1.315 68 I HN 0.300 nan 8.210 nan 0.000 0.451 69 A N 5.373 128.176 122.820 -0.028 0.000 2.477 69 A HA 0.569 4.898 4.320 0.015 0.000 0.246 69 A C 0.713 178.247 177.584 -0.084 0.000 1.078 69 A CA -0.245 51.748 52.037 -0.073 0.000 0.770 69 A CB 0.154 19.110 19.000 -0.074 0.000 1.011 69 A HN 0.891 nan 8.150 nan 0.000 0.494 70 A N 2.481 125.224 122.820 -0.128 0.000 2.511 70 A HA 0.469 4.798 4.320 0.015 0.000 0.242 70 A C 0.210 177.732 177.584 -0.102 0.000 1.069 70 A CA 0.009 51.984 52.037 -0.103 0.000 0.763 70 A CB -0.125 18.791 19.000 -0.140 0.000 1.001 70 A HN 1.084 nan 8.150 nan 0.000 0.498 71 V N 1.908 121.773 119.914 -0.082 0.000 2.547 71 V HA 0.558 4.687 4.120 0.015 0.000 0.299 71 V C 0.839 176.890 176.094 -0.072 0.000 1.040 71 V CA -0.339 61.912 62.300 -0.082 0.000 0.913 71 V CB 1.499 33.273 31.823 -0.083 0.000 0.992 71 V HN 1.179 nan 8.190 nan 0.000 0.449 72 A N 3.511 126.290 122.820 -0.067 0.000 2.491 72 A HA 0.612 4.941 4.320 0.015 0.000 0.261 72 A C 0.772 178.321 177.584 -0.058 0.000 1.101 72 A CA 0.257 52.263 52.037 -0.051 0.000 0.772 72 A CB -0.142 18.829 19.000 -0.048 0.000 1.043 72 A HN 1.439 nan 8.150 nan 0.000 0.501 73 A N 3.637 126.422 122.820 -0.058 0.000 2.540 73 A HA 0.473 4.801 4.320 0.015 0.000 0.239 73 A C 1.107 178.636 177.584 -0.093 0.000 1.061 73 A CA 0.576 52.562 52.037 -0.086 0.000 0.758 73 A CB -0.455 18.484 19.000 -0.103 0.000 0.991 73 A HN 1.505 nan 8.150 nan 0.000 0.502 74 T N 0.297 114.803 114.554 -0.080 0.000 2.816 74 T HA 0.263 4.622 4.350 0.015 0.000 0.282 74 T C 0.568 175.209 174.700 -0.099 0.000 0.993 74 T CA 0.016 62.075 62.100 -0.069 0.000 0.994 74 T CB 0.587 69.432 68.868 -0.038 0.000 1.025 74 T HN 0.542 nan 8.240 nan 0.000 0.529 75 D N 1.190 121.540 120.400 -0.083 0.000 2.133 75 D HA -0.156 4.493 4.640 0.015 0.000 0.192 75 D C 2.337 178.597 176.300 -0.067 0.000 1.001 75 D CA 2.057 56.004 54.000 -0.088 0.000 0.844 75 D CB -0.891 39.877 40.800 -0.053 0.000 0.944 75 D HN 0.771 nan 8.370 nan 0.000 0.447 76 A N 0.926 123.726 122.820 -0.034 0.000 1.933 76 A HA -0.189 4.140 4.320 0.015 0.000 0.218 76 A C 1.812 179.399 177.584 0.005 0.000 1.175 76 A CA 1.726 53.759 52.037 -0.007 0.000 0.628 76 A CB -0.331 18.674 19.000 0.010 0.000 0.814 76 A HN 0.070 nan 8.150 nan 0.000 0.444 77 D N 0.137 120.533 120.400 -0.007 0.000 2.097 77 D HA -0.121 4.528 4.640 0.015 0.000 0.195 77 D C 1.825 178.113 176.300 -0.020 0.000 0.989 77 D CA 1.286 55.294 54.000 0.014 0.000 0.827 77 D CB -0.380 40.410 40.800 -0.018 0.000 0.966 77 D HN 0.513 nan 8.370 nan 0.000 0.456 78 I N 0.698 121.199 120.570 -0.115 0.000 2.286 78 I HA -0.225 3.954 4.170 0.015 0.000 0.248 78 I C 2.268 178.369 176.117 -0.026 0.000 1.115 78 I CA 0.655 61.854 61.300 -0.169 0.000 1.392 78 I CB -0.093 37.606 38.000 -0.501 0.000 1.065 78 I HN -0.049 nan 8.210 nan 0.000 0.418 79 L N 0.075 121.286 121.223 -0.020 0.000 2.465 79 L HA -0.079 4.270 4.340 0.015 0.000 0.224 79 L C 2.418 179.311 176.870 0.039 0.000 1.145 79 L CA 0.673 55.524 54.840 0.020 0.000 0.834 79 L CB -0.438 41.629 42.059 0.014 0.000 0.944 79 L HN 0.170 nan 8.230 nan 0.000 0.451 80 R N -0.223 120.300 120.500 0.038 0.000 2.235 80 R HA -0.026 4.323 4.340 0.015 0.000 0.213 80 R C 1.838 178.133 176.300 -0.009 0.000 1.059 80 R CA 1.082 57.213 56.100 0.052 0.000 0.997 80 R CB -0.059 30.304 30.300 0.106 0.000 0.884 80 R HN 0.339 nan 8.270 nan 0.000 0.462 81 A N -0.566 122.214 122.820 -0.066 0.000 2.138 81 A HA 0.173 4.502 4.320 0.015 0.000 0.203 81 A C 0.032 177.398 177.584 -0.362 0.000 1.286 81 A CA 0.003 51.865 52.037 -0.292 0.000 0.929 81 A CB 0.336 19.155 19.000 -0.302 0.000 0.975 81 A HN 0.204 nan 8.150 nan 0.000 0.480 82 H N -0.358 118.697 119.070 -0.025 0.000 2.797 82 H HA 0.529 5.094 4.556 0.014 0.000 0.372 82 H C 0.178 175.261 175.328 -0.408 0.000 1.168 82 H CA -0.053 55.834 56.048 -0.267 0.000 1.163 82 H CB 1.670 31.446 29.762 0.024 0.000 1.778 82 H HN 0.260 nan 8.280 nan 0.000 0.551 83 S N 0.566 115.906 115.700 -0.600 0.000 2.585 83 S HA 0.256 4.735 4.470 0.015 0.000 0.273 83 S C 1.458 176.046 174.600 -0.020 0.000 1.339 83 S CA -0.287 57.759 58.200 -0.256 0.000 1.028 83 S CB 1.340 64.413 63.200 -0.211 0.000 0.906 83 S HN 0.833 nan 8.310 nan 0.000 0.528 84 A N 2.679 125.506 122.820 0.011 0.000 1.917 84 A HA 0.038 4.367 4.320 0.015 0.000 0.219 84 A C 2.407 180.003 177.584 0.020 0.000 1.182 84 A CA 1.992 54.039 52.037 0.017 0.000 0.633 84 A CB -1.670 17.341 19.000 0.018 0.000 0.819 84 A HN 1.397 nan 8.150 nan 0.000 0.448 85 A N -1.075 121.762 122.820 0.027 0.000 1.902 85 A HA -0.169 4.160 4.320 0.015 0.000 0.217 85 A C 2.038 179.651 177.584 0.049 0.000 1.181 85 A CA 2.144 54.200 52.037 0.031 0.000 0.623 85 A CB -0.834 18.186 19.000 0.033 0.000 0.818 85 A HN 0.780 nan 8.150 nan 0.000 0.443 86 H N -0.557 118.496 119.070 -0.028 0.000 2.357 86 H HA -0.066 4.499 4.556 0.015 0.000 0.301 86 H C 1.759 177.108 175.328 0.036 0.000 1.082 86 H CA 1.748 57.784 56.048 -0.021 0.000 1.342 86 H CB -0.289 29.446 29.762 -0.044 0.000 1.389 86 H HN 0.309 nan 8.280 nan 0.000 0.511 87 L N 0.603 121.798 121.223 -0.047 0.000 2.046 87 L HA -0.066 4.283 4.340 0.015 0.000 0.208 87 L C 2.259 179.096 176.870 -0.054 0.000 1.077 87 L CA 2.170 56.986 54.840 -0.040 0.000 0.747 87 L CB -0.869 41.177 42.059 -0.020 0.000 0.896 87 L HN 0.299 nan 8.230 nan 0.000 0.432 88 E N -0.133 120.043 120.200 -0.039 0.000 2.077 88 E HA -0.264 4.095 4.350 0.015 0.000 0.193 88 E C 2.095 178.664 176.600 -0.053 0.000 0.989 88 E CA 1.465 57.845 56.400 -0.033 0.000 0.800 88 E CB -0.388 29.302 29.700 -0.017 0.000 0.746 88 E HN 0.584 nan 8.360 nan 0.000 0.452 89 N N -0.802 117.855 118.700 -0.072 0.000 2.120 89 N HA -0.141 4.608 4.740 0.015 0.000 0.188 89 N C 1.471 176.905 175.510 -0.127 0.000 1.024 89 N CA 1.489 54.491 53.050 -0.079 0.000 0.852 89 N CB -0.060 38.397 38.487 -0.050 0.000 1.003 89 N HN 0.144 nan 8.380 nan 0.000 0.424 90 M N 0.530 119.997 119.600 -0.221 0.000 2.175 90 M HA -0.067 4.422 4.480 0.015 0.000 0.264 90 M C 1.775 178.009 176.300 -0.109 0.000 1.063 90 M CA 1.296 56.454 55.300 -0.236 0.000 1.119 90 M CB -0.837 31.520 32.600 -0.406 0.000 1.377 90 M HN 0.156 nan 8.290 nan 0.000 0.415 91 K N -0.406 119.960 120.400 -0.057 0.000 2.026 91 K HA -0.143 4.186 4.320 0.015 0.000 0.208 91 K C 2.188 178.767 176.600 -0.035 0.000 1.048 91 K CA 1.123 57.393 56.287 -0.028 0.000 0.929 91 K CB -0.229 32.263 32.500 -0.015 0.000 0.713 91 K HN 0.228 nan 8.250 nan 0.000 0.439 92 R N 1.058 121.534 120.500 -0.041 0.000 2.094 92 R HA -0.186 4.163 4.340 0.015 0.000 0.239 92 R C 2.124 178.402 176.300 -0.037 0.000 1.137 92 R CA 1.871 57.950 56.100 -0.034 0.000 0.943 92 R CB -0.432 29.849 30.300 -0.033 0.000 0.850 92 R HN 0.011 nan 8.270 nan 0.000 0.433 93 V N 0.112 119.996 119.914 -0.050 0.000 2.295 93 V HA -0.237 3.892 4.120 0.015 0.000 0.246 93 V C 2.403 178.470 176.094 -0.045 0.000 1.049 93 V CA 2.152 64.423 62.300 -0.049 0.000 1.024 93 V CB -0.569 31.215 31.823 -0.064 0.000 0.648 93 V HN 0.479 nan 8.190 nan 0.000 0.447 94 S N 0.183 115.852 115.700 -0.051 0.000 2.399 94 S HA -0.183 4.296 4.470 0.015 0.000 0.231 94 S C 1.777 176.362 174.600 -0.026 0.000 1.022 94 S CA 1.543 59.719 58.200 -0.040 0.000 0.983 94 S CB -0.458 62.719 63.200 -0.038 0.000 0.803 94 S HN 0.636 nan 8.310 nan 0.000 0.480 95 N N 1.006 119.692 118.700 -0.024 0.000 2.494 95 N HA 0.160 4.909 4.740 0.015 0.000 0.182 95 N C 0.101 175.600 175.510 -0.017 0.000 1.076 95 N CA 0.132 53.171 53.050 -0.018 0.000 0.908 95 N CB -0.376 38.101 38.487 -0.016 0.000 0.967 95 N HN 0.453 nan 8.380 nan 0.000 0.449 96 L N 1.677 122.888 121.223 -0.020 0.000 2.514 96 L HA 0.011 4.360 4.340 0.015 0.000 0.280 96 L C -0.887 175.974 176.870 -0.016 0.000 1.223 96 L CA -1.127 53.702 54.840 -0.018 0.000 0.864 96 L CB 0.143 42.190 42.059 -0.020 0.000 1.118 96 L HN -0.080 nan 8.230 nan 0.000 0.494 97 P HA -0.204 nan 4.420 nan 0.000 0.219 97 P C 0.740 178.032 177.300 -0.013 0.000 1.158 97 P CA 1.725 64.818 63.100 -0.011 0.000 0.895 97 P CB 0.023 31.717 31.700 -0.010 0.000 0.792 98 T N -5.519 109.026 114.554 -0.015 0.000 3.415 98 T HA 0.599 4.958 4.350 0.015 0.000 0.282 98 T C 0.772 175.459 174.700 -0.021 0.000 1.007 98 T CA -0.159 61.930 62.100 -0.017 0.000 0.958 98 T CB -0.264 68.594 68.868 -0.017 0.000 1.171 98 T HN 0.366 nan 8.240 nan 0.000 0.500 99 G N 0.494 109.280 108.800 -0.022 0.000 2.578 99 G HA2 0.289 4.258 3.960 0.015 0.000 0.275 99 G HA3 0.289 4.258 3.960 0.015 0.000 0.275 99 G C 0.158 175.042 174.900 -0.027 0.000 1.271 99 G CA -0.196 44.887 45.100 -0.028 0.000 0.941 99 G HN 1.921 nan 8.290 nan 0.000 0.564 100 G N -1.841 106.941 108.800 -0.030 0.000 2.323 100 G HA2 0.526 4.495 3.960 0.015 0.000 0.291 100 G HA3 0.526 4.495 3.960 0.015 0.000 0.291 100 G C -1.450 173.435 174.900 -0.025 0.000 1.278 100 G CA 0.701 45.787 45.100 -0.024 0.000 0.860 100 G HN 1.423 nan 8.290 nan 0.000 0.504 101 D N 0.174 120.564 120.400 -0.016 0.000 2.390 101 D HA 0.377 5.026 4.640 0.015 0.000 0.249 101 D C 1.825 178.116 176.300 -0.015 0.000 1.144 101 D CA 0.657 54.652 54.000 -0.009 0.000 0.880 101 D CB 1.381 42.180 40.800 -0.001 0.000 1.182 101 D HN 0.585 nan 8.370 nan 0.000 0.451 102 T N 0.610 115.156 114.554 -0.014 0.000 3.100 102 T HA 0.319 4.678 4.350 0.015 0.000 0.253 102 T C 1.292 175.991 174.700 -0.002 0.000 1.118 102 T CA 0.499 62.586 62.100 -0.022 0.000 1.058 102 T CB 0.272 69.119 68.868 -0.035 0.000 0.953 102 T HN 0.582 nan 8.240 nan 0.000 0.515 103 G N 2.024 110.825 108.800 0.002 0.000 3.033 103 G HA2 -0.118 3.851 3.960 0.015 0.000 0.208 103 G HA3 -0.118 3.851 3.960 0.015 0.000 0.208 103 G C 0.417 175.318 174.900 0.002 0.000 1.006 103 G CA 0.288 45.390 45.100 0.003 0.000 0.808 103 G HN 0.590 nan 8.290 nan 0.000 0.499 104 D N 0.734 121.138 120.400 0.007 0.000 2.368 104 D HA 0.402 5.051 4.640 0.015 0.000 0.218 104 D C 1.793 178.103 176.300 0.017 0.000 1.112 104 D CA 0.529 54.533 54.000 0.007 0.000 0.834 104 D CB -0.195 40.609 40.800 0.007 0.000 0.953 104 D HN 1.445 nan 8.370 nan 0.000 0.505 105 G N 0.848 109.659 108.800 0.018 0.000 2.284 105 G HA2 -0.316 3.652 3.960 0.015 0.000 0.261 105 G HA3 -0.316 3.652 3.960 0.015 0.000 0.261 105 G C 0.359 175.285 174.900 0.043 0.000 0.997 105 G CA 0.847 45.962 45.100 0.025 0.000 0.621 105 G HN 0.701 nan 8.290 nan 0.000 0.534 106 I N -4.226 116.378 120.570 0.057 0.000 3.294 106 I HA 0.835 5.014 4.170 0.015 0.000 0.311 106 I C 0.247 176.432 176.117 0.113 0.000 1.111 106 I CA -0.410 60.953 61.300 0.106 0.000 0.976 106 I CB 1.812 39.898 38.000 0.143 0.000 1.260 106 I HN 0.499 nan 8.210 nan 0.000 0.474 107 T N 2.393 117.064 114.554 0.195 0.000 2.779 107 T HA -0.045 4.314 4.350 0.015 0.000 0.479 107 T C -0.480 174.248 174.700 0.047 0.000 0.792 107 T CA -0.010 62.187 62.100 0.160 0.000 2.536 107 T CB -1.335 67.605 68.868 0.121 0.000 1.697 107 T HN 0.554 nan 8.240 nan 0.000 0.590 108 M N 2.208 121.810 119.600 0.003 0.000 2.598 108 M HA 0.711 5.199 4.480 0.015 0.000 0.317 108 M C 0.192 176.460 176.300 -0.054 0.000 1.201 108 M CA -0.986 54.294 55.300 -0.035 0.000 0.971 108 M CB 1.740 34.306 32.600 -0.057 0.000 1.657 108 M HN 0.695 nan 8.290 nan 0.000 0.470 109 M N 0.527 120.092 119.600 -0.057 0.000 2.259 109 M HA 0.594 5.083 4.480 0.015 0.000 0.304 109 M C 0.107 176.377 176.300 -0.051 0.000 1.019 109 M CA -0.287 54.975 55.300 -0.063 0.000 0.922 109 M CB 2.018 34.570 32.600 -0.080 0.000 1.600 109 M HN 0.830 nan 8.290 nan 0.000 0.433 110 G N 2.330 111.103 108.800 -0.046 0.000 2.667 110 G HA2 0.013 3.982 3.960 0.015 0.000 0.250 110 G HA3 0.013 3.982 3.960 0.015 0.000 0.250 110 G C -0.248 174.636 174.900 -0.026 0.000 1.212 110 G CA -0.564 44.516 45.100 -0.034 0.000 0.874 110 G HN 0.821 nan 8.290 nan 0.000 0.561 111 N N 0.155 118.844 118.700 -0.019 0.000 2.411 111 N HA 0.157 4.906 4.740 0.015 0.000 0.261 111 N C 1.369 176.875 175.510 -0.008 0.000 1.248 111 N CA 1.344 54.385 53.050 -0.015 0.000 0.885 111 N CB 0.497 38.977 38.487 -0.011 0.000 1.062 111 N HN 1.169 nan 8.380 nan 0.000 0.471 112 G N 2.527 111.321 108.800 -0.010 0.000 2.184 112 G HA2 -0.283 3.686 3.960 0.015 0.000 0.264 112 G HA3 -0.283 3.686 3.960 0.015 0.000 0.264 112 G C 1.062 175.960 174.900 -0.004 0.000 0.975 112 G CA 0.691 45.788 45.100 -0.005 0.000 0.642 112 G HN 0.825 nan 8.290 nan 0.000 0.536 113 G N 0.222 109.014 108.800 -0.012 0.000 2.479 113 G HA2 0.027 3.996 3.960 0.015 0.000 0.220 113 G HA3 0.027 3.996 3.960 0.015 0.000 0.220 113 G C 1.684 176.572 174.900 -0.020 0.000 1.115 113 G CA 1.526 46.616 45.100 -0.017 0.000 0.757 113 G HN 1.027 nan 8.290 nan 0.000 0.560 114 L N 0.893 122.106 121.223 -0.018 0.000 2.127 114 L HA -0.053 4.296 4.340 0.015 0.000 0.211 114 L C 2.500 179.400 176.870 0.049 0.000 1.089 114 L CA 2.418 57.267 54.840 0.014 0.000 0.757 114 L CB -0.525 41.552 42.059 0.031 0.000 0.899 114 L HN 0.484 nan 8.230 nan 0.000 0.434 115 E N -0.298 119.913 120.200 0.017 0.000 2.085 115 E HA -0.251 4.108 4.350 0.015 0.000 0.194 115 E C 2.130 178.734 176.600 0.007 0.000 0.994 115 E CA 2.011 58.413 56.400 0.003 0.000 0.801 115 E CB -0.211 29.474 29.700 -0.025 0.000 0.743 115 E HN 0.686 nan 8.360 nan 0.000 0.453 116 I N 0.668 121.244 120.570 0.010 0.000 2.286 116 I HA -0.140 4.039 4.170 0.015 0.000 0.245 116 I C 2.657 178.823 176.117 0.080 0.000 1.104 116 I CA 0.749 62.068 61.300 0.031 0.000 1.397 116 I CB -0.431 37.587 38.000 0.029 0.000 1.072 116 I HN 0.128 nan 8.210 nan 0.000 0.417 117 A N 1.302 124.163 122.820 0.069 0.000 1.940 117 A HA -0.202 4.126 4.320 0.015 0.000 0.219 117 A C 2.445 180.190 177.584 0.269 0.000 1.176 117 A CA 1.524 53.635 52.037 0.122 0.000 0.631 117 A CB -0.577 18.414 19.000 -0.014 0.000 0.814 117 A HN 0.329 nan 8.150 nan 0.000 0.446 118 R N -0.797 119.833 120.500 0.217 0.000 2.075 118 R HA 0.003 4.352 4.340 0.015 0.000 0.232 118 R C 2.007 178.352 176.300 0.074 0.000 1.126 118 R CA 1.364 57.541 56.100 0.128 0.000 0.963 118 R CB -0.438 29.896 30.300 0.057 0.000 0.858 118 R HN 0.511 nan 8.270 nan 0.000 0.435 119 L N -0.075 121.194 121.223 0.077 0.000 2.156 119 L HA -0.129 4.219 4.340 0.015 0.000 0.208 119 L C 2.625 179.630 176.870 0.226 0.000 1.095 119 L CA 0.855 55.745 54.840 0.083 0.000 0.770 119 L CB -0.346 41.714 42.059 0.000 0.000 0.914 119 L HN 0.197 nan 8.230 nan 0.000 0.439 120 S N -0.099 115.724 115.700 0.204 0.000 2.338 120 S HA -0.175 4.304 4.470 0.015 0.000 0.218 120 S C 2.174 176.772 174.600 -0.004 0.000 1.032 120 S CA 1.323 59.508 58.200 -0.025 0.000 0.999 120 S CB -0.107 63.026 63.200 -0.113 0.000 0.905 120 S HN 0.422 nan 8.310 nan 0.000 0.439 121 A N 0.735 123.596 122.820 0.069 0.000 1.902 121 A HA 0.094 4.423 4.320 0.015 0.000 0.217 121 A C 2.336 179.921 177.584 0.002 0.000 1.181 121 A CA 1.886 53.958 52.037 0.058 0.000 0.623 121 A CB -1.599 17.459 19.000 0.095 0.000 0.818 121 A HN 0.651 nan 8.150 nan 0.000 0.443 122 G N -0.808 107.989 108.800 -0.004 0.000 2.422 122 G HA2 0.090 4.059 3.960 0.015 0.000 0.218 122 G HA3 0.090 4.059 3.960 0.015 0.000 0.218 122 G C 1.467 176.339 174.900 -0.047 0.000 1.140 122 G CA 1.182 46.253 45.100 -0.049 0.000 0.775 122 G HN 0.693 nan 8.290 nan 0.000 0.545 123 G N 1.238 110.045 108.800 0.012 0.000 2.446 123 G HA2 0.001 3.970 3.960 0.015 0.000 0.217 123 G HA3 0.001 3.970 3.960 0.015 0.000 0.217 123 G C 2.039 176.926 174.900 -0.022 0.000 1.168 123 G CA 1.570 46.686 45.100 0.027 0.000 0.771 123 G HN 0.602 nan 8.290 nan 0.000 0.551 124 A N -0.032 122.766 122.820 -0.037 0.000 1.898 124 A HA 0.110 4.439 4.320 0.015 0.000 0.216 124 A C 2.622 180.168 177.584 -0.064 0.000 1.181 124 A CA 1.826 53.834 52.037 -0.048 0.000 0.620 124 A CB -0.631 18.344 19.000 -0.041 0.000 0.819 124 A HN 0.257 nan 8.150 nan 0.000 0.442 125 V N 0.068 119.919 119.914 -0.104 0.000 2.295 125 V HA -0.244 3.885 4.120 0.015 0.000 0.246 125 V C 2.625 178.554 176.094 -0.275 0.000 1.049 125 V CA 2.467 64.629 62.300 -0.230 0.000 1.024 125 V CB -0.713 30.908 31.823 -0.336 0.000 0.648 125 V HN 0.743 nan 8.190 nan 0.000 0.447 126 E N 0.254 120.338 120.200 -0.194 0.000 2.077 126 E HA -0.229 4.130 4.350 0.015 0.000 0.193 126 E C 1.940 178.498 176.600 -0.070 0.000 0.989 126 E CA 1.366 57.679 56.400 -0.146 0.000 0.800 126 E CB -0.436 29.204 29.700 -0.100 0.000 0.746 126 E HN 0.395 nan 8.360 nan 0.000 0.452 127 L N 0.354 121.554 121.223 -0.039 0.000 2.017 127 L HA -0.148 4.201 4.340 0.015 0.000 0.208 127 L C 2.196 179.077 176.870 0.018 0.000 1.073 127 L CA 2.407 57.251 54.840 0.006 0.000 0.745 127 L CB -1.098 40.974 42.059 0.023 0.000 0.894 127 L HN 0.181 nan 8.230 nan 0.000 0.432 128 T N -0.459 114.097 114.554 0.004 0.000 2.684 128 T HA -0.262 4.096 4.350 0.015 0.000 0.267 128 T C 1.985 176.742 174.700 0.095 0.000 1.036 128 T CA 1.711 63.838 62.100 0.046 0.000 1.148 128 T CB -0.323 68.582 68.868 0.062 0.000 0.863 128 T HN 0.339 nan 8.240 nan 0.000 0.436 129 R N 0.865 121.415 120.500 0.085 0.000 2.094 129 R HA -0.108 4.241 4.340 0.015 0.000 0.239 129 R C 2.554 178.915 176.300 0.101 0.000 1.137 129 R CA 1.629 57.828 56.100 0.164 0.000 0.943 129 R CB -0.089 30.246 30.300 0.059 0.000 0.850 129 R HN 0.331 nan 8.270 nan 0.000 0.433 130 R N -0.510 120.025 120.500 0.058 0.000 2.153 130 R HA -0.008 4.341 4.340 0.015 0.000 0.218 130 R C 2.220 178.556 176.300 0.060 0.000 1.072 130 R CA 0.876 57.008 56.100 0.054 0.000 0.990 130 R CB 0.062 30.387 30.300 0.043 0.000 0.889 130 R HN 0.123 nan 8.270 nan 0.000 0.452 131 V N 0.940 120.893 119.914 0.065 0.000 2.358 131 V HA -0.200 3.929 4.120 0.015 0.000 0.246 131 V C 2.405 178.534 176.094 0.059 0.000 1.047 131 V CA 1.993 64.332 62.300 0.066 0.000 1.035 131 V CB -0.557 31.307 31.823 0.068 0.000 0.658 131 V HN 0.365 nan 8.190 nan 0.000 0.452 132 A N 0.807 123.666 122.820 0.065 0.000 1.933 132 A HA -0.215 4.114 4.320 0.015 0.000 0.218 132 A C 2.432 180.044 177.584 0.045 0.000 1.175 132 A CA 2.317 54.387 52.037 0.055 0.000 0.628 132 A CB -0.973 18.069 19.000 0.069 0.000 0.814 132 A HN 0.638 nan 8.150 nan 0.000 0.444 133 T N -3.863 110.723 114.554 0.053 0.000 3.051 133 T HA 0.283 4.642 4.350 0.015 0.000 0.269 133 T C 1.591 176.313 174.700 0.036 0.000 1.127 133 T CA 1.281 63.407 62.100 0.042 0.000 1.107 133 T CB -0.388 68.507 68.868 0.046 0.000 0.898 133 T HN 1.736 nan 8.240 nan 0.000 0.517 134 G N 1.135 109.959 108.800 0.040 0.000 2.179 134 G HA2 -0.357 3.612 3.960 0.015 0.000 0.260 134 G HA3 -0.357 3.612 3.960 0.015 0.000 0.260 134 G C 0.614 175.538 174.900 0.041 0.000 0.977 134 G CA 0.710 45.833 45.100 0.038 0.000 0.641 134 G HN 0.619 nan 8.290 nan 0.000 0.533 135 E N -0.403 119.823 120.200 0.043 0.000 2.097 135 E HA -0.030 4.329 4.350 0.015 0.000 0.196 135 E C 1.046 177.677 176.600 0.051 0.000 1.000 135 E CA 1.024 57.450 56.400 0.043 0.000 0.804 135 E CB -0.073 29.652 29.700 0.043 0.000 0.740 135 E HN 0.646 nan 8.360 nan 0.000 0.454 136 L N -0.544 120.714 121.223 0.059 0.000 2.323 136 L HA 0.215 4.564 4.340 0.015 0.000 0.265 136 L C 1.169 178.082 176.870 0.072 0.000 1.012 136 L CA -0.347 54.535 54.840 0.071 0.000 0.820 136 L CB 1.953 44.062 42.059 0.082 0.000 1.334 136 L HN -0.040 nan 8.230 nan 0.000 0.427 137 S N -0.179 115.570 115.700 0.081 0.000 2.470 137 S HA 0.515 4.994 4.470 0.015 0.000 0.222 137 S C 0.466 175.127 174.600 0.101 0.000 1.024 137 S CA 0.313 58.562 58.200 0.082 0.000 0.931 137 S CB 0.375 63.623 63.200 0.080 0.000 0.791 137 S HN 0.796 nan 8.310 nan 0.000 0.513 138 A N -0.831 122.063 122.820 0.123 0.000 2.456 138 A HA 0.770 5.099 4.320 0.015 0.000 0.294 138 A C -0.366 177.330 177.584 0.186 0.000 1.057 138 A CA -0.377 51.758 52.037 0.163 0.000 0.623 138 A CB 0.434 19.556 19.000 0.204 0.000 1.338 138 A HN 1.308 nan 8.150 nan 0.000 0.464 139 G N -1.843 107.105 108.800 0.247 0.000 2.506 139 G HA2 0.591 4.559 3.960 0.015 0.000 0.292 139 G HA3 0.591 4.559 3.960 0.015 0.000 0.292 139 G C -2.392 172.723 174.900 0.359 0.000 1.425 139 G CA -0.350 44.913 45.100 0.272 0.000 0.788 139 G HN 1.641 nan 8.290 nan 0.000 0.490 140 Y N 0.700 121.154 120.300 0.256 0.000 2.338 140 Y HA 0.653 5.211 4.550 0.014 0.000 0.333 140 Y C 0.055 176.052 175.900 0.161 0.000 0.968 140 Y CA -0.699 57.564 58.100 0.272 0.000 1.123 140 Y CB 1.914 40.545 38.460 0.286 0.000 1.165 140 Y HN 0.863 nan 8.280 nan 0.000 0.452 141 A N 6.257 129.120 122.820 0.072 0.000 2.280 141 A HA 0.448 4.777 4.320 0.015 0.000 0.320 141 A C -1.155 176.503 177.584 0.123 0.000 1.366 141 A CA -0.596 51.473 52.037 0.054 0.000 0.938 141 A CB 0.006 18.987 19.000 -0.032 0.000 1.157 141 A HN 0.686 nan 8.150 nan 0.000 0.536 142 L N 5.653 127.000 121.223 0.208 0.000 2.423 142 L HA 0.349 4.698 4.340 0.015 0.000 0.249 142 L C 0.244 177.175 176.870 0.101 0.000 1.276 142 L CA -0.029 54.991 54.840 0.300 0.000 1.199 142 L CB -0.385 41.787 42.059 0.189 0.000 1.407 142 L HN 0.547 nan 8.230 nan 0.000 0.410 143 V N 1.067 120.847 119.914 -0.224 0.000 2.997 143 V HA 0.722 4.851 4.120 0.015 0.000 0.311 143 V C -0.097 175.613 176.094 -0.640 0.000 1.066 143 V CA -0.628 61.109 62.300 -0.937 0.000 1.039 143 V CB 1.694 33.147 31.823 -0.617 0.000 1.081 143 V HN 0.753 nan 8.190 nan 0.000 0.467 144 N N 1.286 119.469 118.700 -0.861 0.000 2.647 144 N HA 0.523 5.271 4.740 0.015 0.000 0.259 144 N C -3.248 172.142 175.510 -0.200 0.000 1.098 144 N CA -1.057 51.822 53.050 -0.285 0.000 0.984 144 N CB 2.756 41.206 38.487 -0.061 0.000 1.683 144 N HN 0.613 nan 8.380 nan 0.000 0.501 145 P HA 0.270 nan 4.420 nan 0.000 0.272 145 P C -2.664 174.633 177.300 -0.005 0.000 1.230 145 P CA -0.767 62.327 63.100 -0.011 0.000 0.788 145 P CB 0.102 31.809 31.700 0.012 0.000 0.949 146 P HA 0.110 nan 4.420 nan 0.000 0.277 146 P C 0.416 177.785 177.300 0.115 0.000 1.276 146 P CA 0.160 63.306 63.100 0.078 0.000 0.788 146 P CB 0.483 32.273 31.700 0.149 0.000 1.114 147 G N -1.545 107.328 108.800 0.122 0.000 2.599 147 G HA2 -0.031 3.938 3.960 0.015 0.000 0.196 147 G HA3 -0.031 3.938 3.960 0.015 0.000 0.196 147 G C 1.155 176.180 174.900 0.207 0.000 1.148 147 G CA 0.352 45.549 45.100 0.162 0.000 0.809 147 G HN 0.729 nan 8.290 nan 0.000 0.764 148 H N -1.403 117.645 119.070 -0.036 0.000 2.521 148 H HA 0.135 4.700 4.556 0.015 0.000 0.286 148 H C 1.849 177.105 175.328 -0.121 0.000 1.034 148 H CA 0.862 56.853 56.048 -0.094 0.000 1.278 148 H CB -0.112 29.558 29.762 -0.153 0.000 1.386 148 H HN 0.276 nan 8.280 nan 0.000 0.567 149 H N 1.046 120.090 119.070 -0.044 0.000 2.535 149 H HA 0.310 4.875 4.556 0.016 0.000 0.273 149 H C 0.753 176.041 175.328 -0.066 0.000 0.983 149 H CA 0.539 56.496 56.048 -0.152 0.000 1.238 149 H CB 0.004 29.732 29.762 -0.057 0.000 1.412 149 H HN 0.510 nan 8.280 nan 0.000 0.562 150 A N 4.175 127.069 122.820 0.124 0.000 2.395 150 A HA 0.241 4.570 4.320 0.015 0.000 0.286 150 A C -1.935 175.703 177.584 0.089 0.000 1.193 150 A CA -1.102 50.988 52.037 0.089 0.000 0.852 150 A CB 0.265 19.345 19.000 0.134 0.000 1.118 150 A HN 0.089 nan 8.150 nan 0.000 0.524 151 P HA 0.093 nan 4.420 nan 0.000 0.302 151 P C 0.587 177.894 177.300 0.012 0.000 1.307 151 P CA -0.167 62.916 63.100 -0.028 0.000 0.754 151 P CB 0.569 32.228 31.700 -0.069 0.000 1.298 152 H N -0.444 118.548 119.070 -0.130 0.000 2.387 152 H HA -0.101 4.464 4.556 0.014 0.000 0.299 152 H C 1.253 176.602 175.328 0.035 0.000 1.099 152 H CA 2.112 58.088 56.048 -0.120 0.000 1.315 152 H CB -0.131 29.532 29.762 -0.164 0.000 1.380 152 H HN 0.341 nan 8.280 nan 0.000 0.513 153 N N -0.329 118.319 118.700 -0.087 0.000 2.282 153 N HA 0.320 5.069 4.740 0.015 0.000 0.240 153 N C -1.152 174.253 175.510 -0.175 0.000 1.182 153 N CA 0.443 53.417 53.050 -0.125 0.000 0.874 153 N CB 0.509 38.987 38.487 -0.015 0.000 1.126 153 N HN 0.356 nan 8.380 nan 0.000 0.516 154 A N -0.097 122.475 122.820 -0.415 0.000 2.610 154 A HA 0.742 5.071 4.320 0.015 0.000 0.291 154 A C -1.453 175.857 177.584 -0.458 0.000 1.086 154 A CA -0.568 51.278 52.037 -0.317 0.000 0.677 154 A CB 0.967 19.902 19.000 -0.108 0.000 1.278 154 A HN 0.146 nan 8.150 nan 0.000 0.414 155 A N 0.612 123.402 122.820 -0.051 0.000 2.295 155 A HA 0.891 5.220 4.320 0.015 0.000 0.318 155 A C -0.250 177.332 177.584 -0.004 0.000 1.134 155 A CA -0.203 51.843 52.037 0.014 0.000 0.827 155 A CB 0.850 19.892 19.000 0.070 0.000 1.136 155 A HN 1.791 nan 8.150 nan 0.000 0.493 156 M N 1.264 120.879 119.600 0.025 0.000 2.523 156 M HA 0.483 4.972 4.480 0.015 0.000 0.287 156 M C 0.218 176.551 176.300 0.055 0.000 1.160 156 M CA 0.699 56.014 55.300 0.024 0.000 0.902 156 M CB 1.657 34.252 32.600 -0.008 0.000 1.752 156 M HN 2.047 nan 8.290 nan 0.000 0.504 157 G N 3.495 112.259 108.800 -0.060 0.000 2.393 157 G HA2 -0.266 3.703 3.960 0.015 0.000 0.299 157 G HA3 -0.266 3.703 3.960 0.015 0.000 0.299 157 G C 0.117 174.863 174.900 -0.257 0.000 0.990 157 G CA 0.917 45.800 45.100 -0.361 0.000 1.118 157 G HN 1.231 nan 8.290 nan 0.000 0.513 158 F N -4.526 115.468 119.950 0.074 0.000 2.748 158 F HA -0.307 4.230 4.527 0.016 0.000 0.370 158 F C 1.313 177.159 175.800 0.075 0.000 0.620 158 F CA 0.208 58.250 58.000 0.070 0.000 1.233 158 F CB -2.018 37.051 39.000 0.114 0.000 1.708 158 F HN 0.551 nan 8.300 nan 0.000 0.298 159 C N 2.224 121.663 119.300 0.232 0.000 2.273 159 C HA 0.462 4.931 4.460 0.015 0.000 0.328 159 C C 1.817 176.830 174.990 0.039 0.000 1.275 159 C CA -0.902 58.211 59.018 0.158 0.000 1.704 159 C CB 0.508 28.371 27.740 0.205 0.000 2.326 159 C HN 0.226 nan 8.230 nan 0.000 0.517 160 I N 1.052 121.576 120.570 -0.076 0.000 2.385 160 I HA 0.213 4.392 4.170 0.015 0.000 0.244 160 I C 0.369 176.223 176.117 -0.439 0.000 1.089 160 I CA 1.214 62.310 61.300 -0.341 0.000 1.410 160 I CB -0.598 37.056 38.000 -0.577 0.000 1.117 160 I HN 0.388 nan 8.210 nan 0.000 0.429 161 F N 0.419 120.402 119.950 0.055 0.000 2.561 161 F HA 0.381 4.918 4.527 0.015 0.000 0.321 161 F C 0.766 176.695 175.800 0.214 0.000 1.065 161 F CA -1.517 56.516 58.000 0.055 0.000 0.934 161 F CB 0.420 39.457 39.000 0.062 0.000 1.215 161 F HN -0.133 nan 8.300 nan 0.000 0.471 162 N N 2.574 121.680 118.700 0.676 0.000 2.508 162 N HA 0.018 4.767 4.740 0.015 0.000 0.253 162 N C 0.583 176.261 175.510 0.280 0.000 1.145 162 N CA 0.178 53.451 53.050 0.371 0.000 0.973 162 N CB 0.077 38.713 38.487 0.248 0.000 1.305 162 N HN 0.554 nan 8.380 nan 0.000 0.506 163 N N 1.142 119.965 118.700 0.204 0.000 2.061 163 N HA -0.187 4.562 4.740 0.015 0.000 0.193 163 N C 1.622 177.187 175.510 0.093 0.000 1.030 163 N CA 2.068 55.193 53.050 0.126 0.000 0.856 163 N CB -0.433 38.084 38.487 0.049 0.000 1.023 163 N HN 0.625 nan 8.380 nan 0.000 0.424 164 T N -2.144 112.458 114.554 0.079 0.000 2.904 164 T HA 0.076 4.435 4.350 0.015 0.000 0.267 164 T C 2.103 176.885 174.700 0.138 0.000 1.059 164 T CA 1.082 63.213 62.100 0.051 0.000 1.137 164 T CB -0.287 68.577 68.868 -0.005 0.000 0.879 164 T HN -0.007 nan 8.240 nan 0.000 0.467 165 S N 0.917 116.763 115.700 0.243 0.000 2.406 165 S HA 0.039 4.518 4.470 0.015 0.000 0.228 165 S C 2.183 176.997 174.600 0.358 0.000 1.020 165 S CA 0.772 59.244 58.200 0.453 0.000 0.965 165 S CB -0.411 63.014 63.200 0.375 0.000 0.798 165 S HN 0.392 nan 8.310 nan 0.000 0.488 166 V N 2.129 122.166 119.914 0.206 0.000 2.295 166 V HA -0.189 3.940 4.120 0.015 0.000 0.246 166 V C 2.666 178.863 176.094 0.172 0.000 1.049 166 V CA 1.745 64.141 62.300 0.160 0.000 1.024 166 V CB -1.195 30.692 31.823 0.108 0.000 0.648 166 V HN 0.529 nan 8.190 nan 0.000 0.447 167 A N 0.064 122.962 122.820 0.130 0.000 1.877 167 A HA -0.125 4.204 4.320 0.015 0.000 0.216 167 A C 2.450 180.125 177.584 0.151 0.000 1.186 167 A CA 2.163 54.267 52.037 0.112 0.000 0.620 167 A CB -0.892 18.131 19.000 0.038 0.000 0.822 167 A HN 0.571 nan 8.150 nan 0.000 0.443 168 A N -0.423 122.467 122.820 0.117 0.000 1.883 168 A HA 0.060 4.389 4.320 0.015 0.000 0.217 168 A C 2.461 180.101 177.584 0.094 0.000 1.186 168 A CA 2.128 54.175 52.037 0.016 0.000 0.624 168 A CB -1.528 17.380 19.000 -0.155 0.000 0.822 168 A HN 0.797 nan 8.150 nan 0.000 0.444 169 G N -1.679 107.313 108.800 0.321 0.000 2.446 169 G HA2 -0.321 3.647 3.960 0.015 0.000 0.217 169 G HA3 -0.321 3.647 3.960 0.015 0.000 0.217 169 G C 1.576 176.594 174.900 0.197 0.000 1.168 169 G CA 1.370 46.682 45.100 0.354 0.000 0.771 169 G HN 0.626 nan 8.290 nan 0.000 0.551 170 Y N 1.982 122.331 120.300 0.081 0.000 2.181 170 Y HA 0.004 4.563 4.550 0.015 0.000 0.288 170 Y C 2.915 178.827 175.900 0.020 0.000 1.146 170 Y CA 1.542 59.666 58.100 0.040 0.000 1.164 170 Y CB -0.346 38.130 38.460 0.027 0.000 0.982 170 Y HN 0.253 nan 8.280 nan 0.000 0.515 171 A N 0.762 123.617 122.820 0.058 0.000 1.902 171 A HA -0.156 4.173 4.320 0.015 0.000 0.217 171 A C 2.312 179.833 177.584 -0.105 0.000 1.181 171 A CA 1.533 53.546 52.037 -0.040 0.000 0.623 171 A CB -0.516 18.493 19.000 0.014 0.000 0.818 171 A HN 0.399 nan 8.150 nan 0.000 0.443 172 R N -0.434 120.024 120.500 -0.070 0.000 2.073 172 R HA -0.076 4.273 4.340 0.015 0.000 0.234 172 R C 2.430 178.683 176.300 -0.078 0.000 1.134 172 R CA 1.577 57.638 56.100 -0.066 0.000 0.952 172 R CB -0.940 29.345 30.300 -0.025 0.000 0.850 172 R HN 0.538 nan 8.270 nan 0.000 0.433 173 A N 0.092 122.859 122.820 -0.088 0.000 1.844 173 A HA -0.026 4.303 4.320 0.015 0.000 0.212 173 A C 2.397 179.871 177.584 -0.183 0.000 1.221 173 A CA 1.073 53.052 52.037 -0.097 0.000 0.607 173 A CB -0.609 18.360 19.000 -0.053 0.000 0.878 173 A HN 0.086 nan 8.150 nan 0.000 0.451 174 V N 0.186 119.882 119.914 -0.364 0.000 2.407 174 V HA -0.090 4.038 4.120 0.015 0.000 0.245 174 V C 2.297 178.185 176.094 -0.344 0.000 1.041 174 V CA 1.509 63.553 62.300 -0.428 0.000 1.040 174 V CB -0.683 30.670 31.823 -0.782 0.000 0.671 174 V HN 0.498 nan 8.190 nan 0.000 0.455 175 L N 0.563 121.561 121.223 -0.375 0.000 2.554 175 L HA 0.296 4.645 4.340 0.015 0.000 0.226 175 L C 1.773 178.571 176.870 -0.120 0.000 1.137 175 L CA 0.877 55.603 54.840 -0.191 0.000 0.863 175 L CB -0.669 41.315 42.059 -0.126 0.000 0.985 175 L HN 0.536 nan 8.230 nan 0.000 0.451 176 G N 0.283 109.008 108.800 -0.125 0.000 2.143 176 G HA2 -0.309 3.660 3.960 0.015 0.000 0.248 176 G HA3 -0.309 3.660 3.960 0.015 0.000 0.248 176 G C 0.258 175.113 174.900 -0.075 0.000 0.991 176 G CA -0.067 44.981 45.100 -0.086 0.000 0.689 176 G HN 0.269 nan 8.290 nan 0.000 0.522 177 M N 0.396 119.948 119.600 -0.080 0.000 2.200 177 M HA 0.262 4.751 4.480 0.015 0.000 0.355 177 M C 1.414 177.665 176.300 -0.082 0.000 1.283 177 M CA 0.011 55.266 55.300 -0.076 0.000 1.124 177 M CB 0.627 33.184 32.600 -0.072 0.000 1.625 177 M HN 0.157 nan 8.290 nan 0.000 0.463 178 E N 2.337 122.482 120.200 -0.090 0.000 2.230 178 E HA 0.035 4.394 4.350 0.015 0.000 0.192 178 E C 0.050 176.578 176.600 -0.120 0.000 0.987 178 E CA 0.834 57.174 56.400 -0.100 0.000 0.841 178 E CB 0.452 30.088 29.700 -0.107 0.000 0.783 178 E HN 0.563 nan 8.360 nan 0.000 0.481 179 R N 0.521 120.942 120.500 -0.132 0.000 2.533 179 R HA 0.458 4.807 4.340 0.015 0.000 0.288 179 R C -1.243 175.037 176.300 -0.034 0.000 1.039 179 R CA -0.391 55.635 56.100 -0.123 0.000 0.909 179 R CB 2.560 32.615 30.300 -0.409 0.000 1.195 179 R HN -0.166 nan 8.270 nan 0.000 0.438 180 V N 1.628 121.554 119.914 0.020 0.000 2.656 180 V HA 0.695 4.824 4.120 0.015 0.000 0.307 180 V C -0.446 175.641 176.094 -0.011 0.000 1.051 180 V CA -0.867 61.409 62.300 -0.040 0.000 0.893 180 V CB 1.955 33.666 31.823 -0.187 0.000 0.999 180 V HN 0.904 nan 8.190 nan 0.000 0.426 181 A N 5.151 127.956 122.820 -0.024 0.000 2.330 181 A HA 0.908 5.237 4.320 0.015 0.000 0.327 181 A C -0.794 176.691 177.584 -0.166 0.000 1.155 181 A CA -0.530 51.434 52.037 -0.122 0.000 0.803 181 A CB 0.762 19.727 19.000 -0.059 0.000 1.208 181 A HN 0.766 nan 8.150 nan 0.000 0.477 182 I N 2.846 123.303 120.570 -0.188 0.000 2.382 182 I HA 0.247 4.426 4.170 0.015 0.000 0.285 182 I C -0.859 175.182 176.117 -0.128 0.000 1.007 182 I CA -0.590 60.612 61.300 -0.163 0.000 1.142 182 I CB 1.553 39.480 38.000 -0.122 0.000 1.289 182 I HN 0.544 nan 8.210 nan 0.000 0.453 183 L N 7.031 128.151 121.223 -0.170 0.000 2.264 183 L HA 0.493 4.842 4.340 0.015 0.000 0.289 183 L C -0.661 176.102 176.870 -0.179 0.000 1.044 183 L CA 0.202 54.967 54.840 -0.125 0.000 0.807 183 L CB 0.999 42.984 42.059 -0.123 0.000 1.192 183 L HN 0.444 nan 8.230 nan 0.000 0.425 184 D N 4.531 124.917 120.400 -0.022 0.000 2.453 184 D HA 0.222 4.871 4.640 0.015 0.000 0.238 184 D C -0.323 176.098 176.300 0.202 0.000 1.088 184 D CA -0.497 53.501 54.000 -0.004 0.000 0.854 184 D CB 0.688 41.551 40.800 0.105 0.000 1.076 184 D HN 0.591 nan 8.370 nan 0.000 0.533 185 W N 3.550 124.926 121.300 0.126 0.000 2.991 185 W HA 0.367 5.035 4.660 0.013 0.000 0.391 185 W C 0.039 176.675 176.519 0.195 0.000 1.054 185 W CA -0.953 56.527 57.345 0.226 0.000 1.856 185 W CB -0.800 28.829 29.460 0.283 0.000 1.132 185 W HN 0.149 nan 8.180 nan 0.000 0.601 186 D N 1.566 122.151 120.400 0.307 0.000 2.506 186 D HA -0.140 4.509 4.640 0.015 0.000 0.234 186 D C 1.265 177.777 176.300 0.353 0.000 1.143 186 D CA 0.443 54.569 54.000 0.210 0.000 0.871 186 D CB 2.208 42.938 40.800 -0.115 0.000 1.190 186 D HN 0.062 nan 8.370 nan 0.000 0.459 187 V N 4.039 124.109 119.914 0.260 0.000 2.970 187 V HA -0.128 4.001 4.120 0.015 0.000 0.260 187 V C 0.341 176.542 176.094 0.178 0.000 1.100 187 V CA 1.330 63.750 62.300 0.200 0.000 1.122 187 V CB -0.564 31.281 31.823 0.036 0.000 0.721 187 V HN 0.502 nan 8.190 nan 0.000 0.483 188 H N -0.897 118.478 119.070 0.508 0.000 2.488 188 H HA 0.412 4.976 4.556 0.013 0.000 0.347 188 H C -0.097 175.503 175.328 0.452 0.000 1.174 188 H CA -0.468 55.890 56.048 0.517 0.000 1.307 188 H CB 0.583 30.727 29.762 0.638 0.000 1.517 188 H HN 0.368 nan 8.280 nan 0.000 0.554 189 H N 0.828 120.007 119.070 0.181 0.000 2.975 189 H HA 0.113 4.679 4.556 0.016 0.000 0.303 189 H C 0.699 175.933 175.328 -0.156 0.000 1.023 189 H CA -0.509 55.383 56.048 -0.260 0.000 1.473 189 H CB 0.414 29.806 29.762 -0.617 0.000 1.498 189 H HN 0.857 nan 8.280 nan 0.000 0.549 190 G N 5.284 113.878 108.800 -0.342 0.000 3.090 190 G HA2 -0.141 3.827 3.960 0.015 0.000 0.259 190 G HA3 -0.141 3.827 3.960 0.015 0.000 0.259 190 G C 1.102 175.573 174.900 -0.715 0.000 0.797 190 G CA -0.007 44.801 45.100 -0.486 0.000 2.032 190 G HN 0.918 nan 8.290 nan 0.000 0.614 191 N N 1.014 119.149 118.700 -0.943 0.000 2.205 191 N HA -0.133 4.616 4.740 0.015 0.000 0.186 191 N C 2.072 177.434 175.510 -0.247 0.000 1.015 191 N CA 1.476 54.154 53.050 -0.621 0.000 0.862 191 N CB -0.491 37.809 38.487 -0.312 0.000 0.986 191 N HN 0.286 nan 8.380 nan 0.000 0.429 192 G N 0.512 109.203 108.800 -0.181 0.000 2.402 192 G HA2 -0.191 3.778 3.960 0.015 0.000 0.216 192 G HA3 -0.191 3.778 3.960 0.015 0.000 0.216 192 G C 1.509 176.391 174.900 -0.030 0.000 1.162 192 G CA 1.436 46.493 45.100 -0.071 0.000 0.777 192 G HN 0.424 nan 8.290 nan 0.000 0.539 193 T N 0.383 114.944 114.554 0.013 0.000 2.821 193 T HA -0.125 4.234 4.350 0.015 0.000 0.267 193 T C 2.256 177.089 174.700 0.222 0.000 1.046 193 T CA 1.485 63.677 62.100 0.152 0.000 1.139 193 T CB -0.212 68.767 68.868 0.185 0.000 0.871 193 T HN 0.453 nan 8.240 nan 0.000 0.454 194 Q N 1.060 120.947 119.800 0.144 0.000 2.061 194 Q HA -0.230 4.119 4.340 0.015 0.000 0.204 194 Q C 2.080 178.254 176.000 0.290 0.000 0.984 194 Q CA 2.168 58.132 55.803 0.269 0.000 0.846 194 Q CB -0.271 28.617 28.738 0.249 0.000 0.902 194 Q HN 0.561 nan 8.270 nan 0.000 0.421 195 D N -0.221 120.222 120.400 0.071 0.000 2.097 195 D HA -0.164 4.485 4.640 0.015 0.000 0.195 195 D C 1.846 178.135 176.300 -0.019 0.000 0.989 195 D CA 1.597 55.581 54.000 -0.026 0.000 0.827 195 D CB -0.144 40.587 40.800 -0.114 0.000 0.966 195 D HN 0.414 nan 8.370 nan 0.000 0.456 196 I N -0.824 119.655 120.570 -0.151 0.000 2.226 196 I HA -0.173 4.006 4.170 0.015 0.000 0.245 196 I C 1.062 176.830 176.117 -0.581 0.000 1.100 196 I CA 0.955 61.955 61.300 -0.500 0.000 1.374 196 I CB -0.183 37.325 38.000 -0.821 0.000 1.057 196 I HN 0.231 nan 8.210 nan 0.000 0.413 197 W N -0.625 120.727 121.300 0.087 0.000 3.239 197 W HA 0.101 4.769 4.660 0.014 0.000 0.368 197 W C 1.909 178.513 176.519 0.141 0.000 1.154 197 W CA -0.754 56.638 57.345 0.079 0.000 1.860 197 W CB -0.419 29.068 29.460 0.044 0.000 1.094 197 W HN 0.182 nan 8.180 nan 0.000 0.643 198 W N 1.991 123.358 121.300 0.110 0.000 2.305 198 W HA -0.260 4.409 4.660 0.015 0.000 0.308 198 W C 0.805 177.387 176.519 0.106 0.000 1.226 198 W CA 1.673 59.075 57.345 0.095 0.000 1.253 198 W CB -0.184 29.300 29.460 0.039 0.000 1.146 198 W HN -0.097 nan 8.180 nan 0.000 0.507 199 N N 0.415 119.214 118.700 0.164 0.000 2.268 199 N HA -0.032 4.716 4.740 0.015 0.000 0.204 199 N C -0.894 174.650 175.510 0.056 0.000 1.124 199 N CA 0.544 53.626 53.050 0.052 0.000 0.838 199 N CB 0.041 38.587 38.487 0.099 0.000 0.994 199 N HN 0.011 nan 8.380 nan 0.000 0.489 200 D N 0.941 121.406 120.400 0.108 0.000 2.462 200 D HA 0.199 4.848 4.640 0.015 0.000 0.245 200 D C -1.838 174.483 176.300 0.035 0.000 1.122 200 D CA -2.008 52.063 54.000 0.118 0.000 0.864 200 D CB 2.229 43.206 40.800 0.294 0.000 1.098 200 D HN -0.043 nan 8.370 nan 0.000 0.541 201 P HA -0.064 nan 4.420 nan 0.000 0.233 201 P C 0.995 178.147 177.300 -0.246 0.000 1.167 201 P CA 0.441 63.271 63.100 -0.449 0.000 0.770 201 P CB 0.210 31.505 31.700 -0.674 0.000 0.837 202 S N -1.339 114.306 115.700 -0.091 0.000 2.603 202 S HA 0.083 4.562 4.470 0.015 0.000 0.220 202 S C 0.626 175.188 174.600 -0.063 0.000 0.967 202 S CA -0.084 58.091 58.200 -0.041 0.000 0.920 202 S CB -0.628 62.541 63.200 -0.051 0.000 0.773 202 S HN -0.087 nan 8.310 nan 0.000 0.529 203 V N 2.584 122.403 119.914 -0.158 0.000 2.419 203 V HA 0.461 4.590 4.120 0.015 0.000 0.287 203 V C -0.650 175.260 176.094 -0.308 0.000 1.017 203 V CA -0.865 61.189 62.300 -0.411 0.000 0.844 203 V CB 1.356 32.432 31.823 -1.244 0.000 1.011 203 V HN 0.484 nan 8.190 nan 0.000 0.429 204 L N 6.218 127.154 121.223 -0.478 0.000 2.313 204 L HA 0.630 4.979 4.340 0.015 0.000 0.282 204 L C 0.577 177.265 176.870 -0.303 0.000 1.092 204 L CA 0.805 55.309 54.840 -0.560 0.000 0.831 204 L CB 1.223 42.530 42.059 -1.252 0.000 1.159 204 L HN 0.828 nan 8.230 nan 0.000 0.442 205 T N 3.862 118.334 114.554 -0.138 0.000 2.770 205 T HA 0.691 5.050 4.350 0.015 0.000 0.283 205 T C -0.213 174.492 174.700 0.009 0.000 0.988 205 T CA -0.473 61.609 62.100 -0.029 0.000 0.957 205 T CB 0.674 69.610 68.868 0.113 0.000 0.930 205 T HN 0.457 nan 8.240 nan 0.000 0.443 206 I N 2.447 123.027 120.570 0.017 0.000 2.436 206 I HA 0.524 4.703 4.170 0.015 0.000 0.289 206 I C -0.004 176.197 176.117 0.141 0.000 1.010 206 I CA -0.758 60.578 61.300 0.059 0.000 1.098 206 I CB 2.173 40.185 38.000 0.019 0.000 1.266 206 I HN 0.669 nan 8.210 nan 0.000 0.434 207 S N 6.679 122.517 115.700 0.230 0.000 2.519 207 S HA 0.659 5.138 4.470 0.015 0.000 0.309 207 S C -0.962 173.830 174.600 0.320 0.000 1.100 207 S CA -0.525 57.897 58.200 0.370 0.000 1.059 207 S CB 0.744 64.290 63.200 0.576 0.000 1.008 207 S HN 0.325 nan 8.310 nan 0.000 0.478 208 L N 5.885 127.281 121.223 0.289 0.000 2.307 208 L HA 0.664 5.013 4.340 0.015 0.000 0.282 208 L C -0.116 176.899 176.870 0.242 0.000 1.051 208 L CA 0.176 55.081 54.840 0.109 0.000 0.804 208 L CB 0.779 42.952 42.059 0.191 0.000 1.197 208 L HN 0.928 nan 8.230 nan 0.000 0.431 209 H N -0.476 118.698 119.070 0.173 0.000 3.037 209 H HA 0.359 4.922 4.556 0.013 0.000 0.336 209 H C -0.932 174.490 175.328 0.157 0.000 1.323 209 H CA -0.966 55.216 56.048 0.223 0.000 1.159 209 H CB 0.763 30.689 29.762 0.273 0.000 1.882 209 H HN 0.523 nan 8.280 nan 0.000 0.535 210 Q N 1.488 121.465 119.800 0.294 0.000 2.289 210 Q HA 0.018 4.367 4.340 0.015 0.000 0.273 210 Q C -0.534 175.646 176.000 0.299 0.000 1.029 210 Q CA -0.368 55.572 55.803 0.229 0.000 0.896 210 Q CB 0.310 29.169 28.738 0.202 0.000 1.182 210 Q HN 0.724 nan 8.270 nan 0.000 0.385 211 H N 5.430 124.565 119.070 0.109 0.000 3.107 211 H HA -0.035 4.529 4.556 0.014 0.000 0.301 211 H C 0.304 175.657 175.328 0.042 0.000 0.981 211 H CA 1.094 57.182 56.048 0.067 0.000 1.443 211 H CB -0.090 29.666 29.762 -0.011 0.000 1.479 211 H HN 0.801 nan 8.280 nan 0.000 0.564 212 L N 3.208 124.221 121.223 -0.350 0.000 4.001 212 L HA -0.401 3.947 4.340 0.015 0.000 0.413 212 L C 1.865 178.699 176.870 -0.059 0.000 1.185 212 L CA 0.630 55.267 54.840 -0.338 0.000 0.963 212 L CB -2.320 39.440 42.059 -0.498 0.000 1.976 212 L HN 0.656 nan 8.230 nan 0.000 0.939 213 C N -0.116 119.247 119.300 0.105 0.000 2.508 213 C HA 0.143 4.612 4.460 0.015 0.000 0.280 213 C C 0.929 176.126 174.990 0.346 0.000 1.262 213 C CA 1.309 60.477 59.018 0.250 0.000 1.706 213 C CB 0.042 27.995 27.740 0.355 0.000 2.078 213 C HN 0.525 nan 8.230 nan 0.000 0.480 214 F N 0.562 120.628 119.950 0.193 0.000 2.669 214 F HA 0.528 5.064 4.527 0.014 0.000 0.315 214 F C -2.819 173.007 175.800 0.044 0.000 1.109 214 F CA -1.589 56.418 58.000 0.011 0.000 1.028 214 F CB 1.018 39.908 39.000 -0.183 0.000 1.287 214 F HN -0.021 nan 8.300 nan 0.000 0.452 215 P HA 0.347 nan 4.420 nan 0.000 0.276 215 P C -2.729 174.241 177.300 -0.551 0.000 1.261 215 P CA -1.336 60.972 63.100 -1.321 0.000 0.800 215 P CB 0.209 31.273 31.700 -1.059 0.000 1.066 216 P HA 0.007 nan 4.420 nan 0.000 0.272 216 P C -0.136 177.055 177.300 -0.182 0.000 1.223 216 P CA 0.555 63.521 63.100 -0.222 0.000 0.784 216 P CB -0.054 31.558 31.700 -0.146 0.000 0.923 217 D N -0.930 119.398 120.400 -0.119 0.000 2.723 217 D HA -0.166 4.483 4.640 0.015 0.000 0.236 217 D C -0.969 175.354 176.300 0.037 0.000 1.138 217 D CA 1.224 55.244 54.000 0.034 0.000 0.676 217 D CB -1.415 39.414 40.800 0.048 0.000 1.069 217 D HN 0.354 nan 8.370 nan 0.000 0.430 218 S N -1.123 114.473 115.700 -0.172 0.000 2.533 218 S HA 0.622 5.101 4.470 0.015 0.000 0.271 218 S C 0.604 174.928 174.600 -0.460 0.000 1.143 218 S CA 0.566 58.678 58.200 -0.147 0.000 0.891 218 S CB 1.528 64.695 63.200 -0.056 0.000 1.105 218 S HN 1.174 nan 8.310 nan 0.000 0.468 219 G N 2.065 110.483 108.800 -0.637 0.000 2.130 219 G HA2 -0.206 3.762 3.960 0.015 0.000 0.216 219 G HA3 -0.206 3.762 3.960 0.015 0.000 0.216 219 G C -0.261 174.513 174.900 -0.209 0.000 0.999 219 G CA 0.055 44.496 45.100 -1.097 0.000 0.686 219 G HN 0.678 nan 8.290 nan 0.000 0.515 220 Y N 1.122 121.430 120.300 0.014 0.000 2.550 220 Y HA 0.271 4.825 4.550 0.007 0.000 0.343 220 Y C 2.134 178.077 175.900 0.071 0.000 1.245 220 Y CA 0.768 58.937 58.100 0.114 0.000 1.462 220 Y CB 0.763 39.287 38.460 0.106 0.000 1.340 220 Y HN 0.316 nan 8.280 nan 0.000 0.604 221 S N -1.711 114.109 115.700 0.201 0.000 2.555 221 S HA -0.132 4.347 4.470 0.015 0.000 0.230 221 S C 1.443 176.109 174.600 0.110 0.000 0.978 221 S CA 0.887 59.151 58.200 0.106 0.000 0.934 221 S CB -0.897 62.322 63.200 0.032 0.000 0.766 221 S HN 0.851 nan 8.310 nan 0.000 0.533 222 T N -0.600 114.049 114.554 0.157 0.000 3.088 222 T HA 0.138 4.497 4.350 0.015 0.000 0.259 222 T C 0.320 175.130 174.700 0.184 0.000 1.122 222 T CA 0.025 62.203 62.100 0.130 0.000 1.095 222 T CB -0.513 68.412 68.868 0.095 0.000 0.930 222 T HN 0.512 nan 8.240 nan 0.000 0.508 223 E N 1.534 121.886 120.200 0.254 0.000 1.932 223 E HA 0.287 4.646 4.350 0.015 0.000 0.275 223 E C 0.482 177.234 176.600 0.254 0.000 1.159 223 E CA -0.213 56.443 56.400 0.426 0.000 0.905 223 E CB 0.468 30.440 29.700 0.453 0.000 1.059 223 E HN 0.390 nan 8.360 nan 0.000 0.400 224 R N 2.241 122.728 120.500 -0.022 0.000 2.565 224 R HA 0.218 4.567 4.340 0.015 0.000 0.347 224 R C 0.481 176.382 176.300 -0.665 0.000 1.010 224 R CA 0.018 55.923 56.100 -0.326 0.000 1.126 224 R CB 1.172 31.216 30.300 -0.426 0.000 1.331 224 R HN 0.673 nan 8.270 nan 0.000 0.552 225 G N 1.009 109.031 108.800 -1.296 0.000 2.698 225 G HA2 0.028 3.997 3.960 0.015 0.000 0.225 225 G HA3 0.028 3.997 3.960 0.015 0.000 0.225 225 G C -1.051 173.077 174.900 -1.286 0.000 1.345 225 G CA -0.528 43.553 45.100 -1.697 0.000 0.871 225 G HN 0.400 nan 8.290 nan 0.000 0.540 226 A N -1.280 121.024 122.820 -0.859 0.000 2.594 226 A HA 1.151 5.480 4.320 0.015 0.000 0.295 226 A C 1.317 178.853 177.584 -0.080 0.000 1.071 226 A CA 1.363 53.231 52.037 -0.283 0.000 0.685 226 A CB 1.007 19.947 19.000 -0.100 0.000 1.285 226 A HN 3.069 nan 8.150 nan 0.000 0.405 227 G N 1.600 110.403 108.800 0.005 0.000 2.622 227 G HA2 -0.397 3.572 3.960 0.015 0.000 0.307 227 G HA3 -0.397 3.572 3.960 0.015 0.000 0.307 227 G C 0.833 175.762 174.900 0.048 0.000 1.226 227 G CA 1.081 46.194 45.100 0.022 0.000 0.997 227 G HN 1.147 nan 8.290 nan 0.000 0.551 228 N N 1.224 119.945 118.700 0.035 0.000 2.272 228 N HA 0.018 4.766 4.740 0.015 0.000 0.185 228 N C 2.160 177.705 175.510 0.058 0.000 1.014 228 N CA 1.112 54.184 53.050 0.035 0.000 0.870 228 N CB -0.243 38.244 38.487 -0.001 0.000 0.975 228 N HN 0.732 nan 8.380 nan 0.000 0.433 229 G N -0.298 108.530 108.800 0.046 0.000 2.985 229 G HA2 -0.142 3.827 3.960 0.015 0.000 0.209 229 G HA3 -0.142 3.827 3.960 0.015 0.000 0.209 229 G C 0.145 175.112 174.900 0.111 0.000 1.165 229 G CA -0.201 44.941 45.100 0.070 0.000 0.776 229 G HN 0.380 nan 8.290 nan 0.000 0.541 230 H N 0.579 119.645 119.070 -0.006 0.000 3.046 230 H HA 0.276 4.840 4.556 0.014 0.000 0.303 230 H C 1.377 176.664 175.328 -0.069 0.000 1.002 230 H CA 1.343 57.332 56.048 -0.099 0.000 1.460 230 H CB 0.391 30.094 29.762 -0.099 0.000 1.493 230 H HN 0.277 nan 8.280 nan 0.000 0.559 231 G N 4.766 113.143 108.800 -0.705 0.000 2.176 231 G HA2 -0.276 3.693 3.960 0.015 0.000 0.232 231 G HA3 -0.276 3.693 3.960 0.015 0.000 0.232 231 G C 0.091 174.507 174.900 -0.807 0.000 0.986 231 G CA 0.266 44.955 45.100 -0.686 0.000 0.643 231 G HN 0.644 nan 8.290 nan 0.000 0.522 232 Y N 0.969 121.123 120.300 -0.244 0.000 2.636 232 Y HA 0.406 4.965 4.550 0.015 0.000 0.260 232 Y C 0.949 176.731 175.900 -0.198 0.000 1.177 232 Y CA -0.222 57.752 58.100 -0.210 0.000 1.209 232 Y CB 0.597 38.969 38.460 -0.146 0.000 1.166 232 Y HN 0.303 nan 8.280 nan 0.000 0.531 233 N N 1.065 119.686 118.700 -0.132 0.000 2.352 233 N HA 0.434 5.183 4.740 0.015 0.000 0.291 233 N C -1.703 173.775 175.510 -0.053 0.000 1.040 233 N CA -0.254 52.777 53.050 -0.032 0.000 0.864 233 N CB 1.329 39.849 38.487 0.056 0.000 1.440 233 N HN 0.082 nan 8.380 nan 0.000 0.483 234 I N 2.577 123.147 120.570 0.000 0.000 2.439 234 I HA 0.258 4.436 4.170 0.015 0.000 0.283 234 I C -0.735 175.435 176.117 0.088 0.000 1.023 234 I CA -0.841 60.457 61.300 -0.002 0.000 1.100 234 I CB 1.592 39.562 38.000 -0.051 0.000 1.238 234 I HN 0.345 nan 8.210 nan 0.000 0.445 235 N N 5.515 124.283 118.700 0.114 0.000 2.421 235 N HA 0.390 5.139 4.740 0.015 0.000 0.285 235 N C -0.615 174.902 175.510 0.012 0.000 1.027 235 N CA -0.359 52.798 53.050 0.179 0.000 0.918 235 N CB 2.760 41.392 38.487 0.242 0.000 1.152 235 N HN 0.204 nan 8.380 nan 0.000 0.485 236 V N 4.147 123.989 119.914 -0.121 0.000 2.225 236 V HA 0.262 4.391 4.120 0.015 0.000 0.264 236 V C -2.146 173.672 176.094 -0.461 0.000 1.067 236 V CA -1.507 60.661 62.300 -0.220 0.000 0.903 236 V CB 0.767 32.492 31.823 -0.164 0.000 1.136 236 V HN 0.501 nan 8.190 nan 0.000 0.456 237 P HA 0.327 nan 4.420 nan 0.000 0.276 237 P C -0.723 176.438 177.300 -0.233 0.000 1.235 237 P CA 0.081 62.956 63.100 -0.375 0.000 0.772 237 P CB 1.484 33.130 31.700 -0.090 0.000 0.871 238 L N 5.273 126.400 121.223 -0.159 0.000 2.333 238 L HA 0.563 4.912 4.340 0.015 0.000 0.269 238 L C -2.144 174.723 176.870 -0.005 0.000 1.010 238 L CA -2.791 51.978 54.840 -0.119 0.000 0.818 238 L CB 2.433 44.365 42.059 -0.210 0.000 1.306 238 L HN 0.191 nan 8.230 nan 0.000 0.430 239 P HA 0.224 nan 4.420 nan 0.000 0.274 239 P C -2.681 174.659 177.300 0.066 0.000 1.231 239 P CA -1.758 61.369 63.100 0.045 0.000 0.790 239 P CB 0.046 31.759 31.700 0.022 0.000 0.951 240 P HA -0.027 nan 4.420 nan 0.000 0.264 240 P C 1.151 178.491 177.300 0.066 0.000 1.179 240 P CA 1.704 64.855 63.100 0.086 0.000 0.763 240 P CB -0.238 31.509 31.700 0.078 0.000 0.806 241 G N 1.359 110.201 108.800 0.070 0.000 2.217 241 G HA2 -0.250 3.719 3.960 0.015 0.000 0.246 241 G HA3 -0.250 3.719 3.960 0.015 0.000 0.246 241 G C 0.360 175.293 174.900 0.053 0.000 0.990 241 G CA 0.032 45.161 45.100 0.048 0.000 0.627 241 G HN 0.592 nan 8.290 nan 0.000 0.522 242 S N 1.133 116.882 115.700 0.081 0.000 2.546 242 S HA 0.498 4.977 4.470 0.015 0.000 0.290 242 S C 1.044 175.738 174.600 0.157 0.000 1.290 242 S CA 0.614 58.876 58.200 0.102 0.000 1.069 242 S CB 1.283 64.538 63.200 0.092 0.000 0.846 242 S HN 1.286 nan 8.310 nan 0.000 0.495 243 G N 2.190 111.058 108.800 0.113 0.000 3.211 243 G HA2 0.255 4.224 3.960 0.015 0.000 0.167 243 G HA3 0.255 4.224 3.960 0.015 0.000 0.167 243 G C 0.582 175.524 174.900 0.070 0.000 1.212 243 G CA -0.506 44.625 45.100 0.052 0.000 0.928 243 G HN 0.527 nan 8.290 nan 0.000 0.607 244 N N 0.420 119.102 118.700 -0.031 0.000 2.104 244 N HA -0.118 4.630 4.740 0.015 0.000 0.190 244 N C 2.356 177.884 175.510 0.030 0.000 1.024 244 N CA 1.553 54.576 53.050 -0.044 0.000 0.853 244 N CB -0.544 37.904 38.487 -0.064 0.000 1.008 244 N HN 0.457 nan 8.380 nan 0.000 0.424 245 A N 0.889 123.725 122.820 0.025 0.000 1.877 245 A HA 0.002 4.330 4.320 0.015 0.000 0.216 245 A C 2.370 179.989 177.584 0.057 0.000 1.186 245 A CA 2.122 54.175 52.037 0.027 0.000 0.620 245 A CB -1.032 17.964 19.000 -0.007 0.000 0.822 245 A HN 0.322 nan 8.150 nan 0.000 0.443 246 A N -1.535 121.317 122.820 0.054 0.000 1.877 246 A HA -0.109 4.220 4.320 0.015 0.000 0.216 246 A C 2.125 179.722 177.584 0.021 0.000 1.186 246 A CA 1.670 53.726 52.037 0.032 0.000 0.620 246 A CB -0.894 18.099 19.000 -0.011 0.000 0.822 246 A HN 0.578 nan 8.150 nan 0.000 0.443 247 Y N -0.015 120.268 120.300 -0.028 0.000 2.181 247 Y HA -0.135 4.424 4.550 0.014 0.000 0.288 247 Y C 2.236 178.121 175.900 -0.025 0.000 1.146 247 Y CA 1.746 59.816 58.100 -0.050 0.000 1.164 247 Y CB -0.258 38.115 38.460 -0.143 0.000 0.982 247 Y HN 0.189 nan 8.280 nan 0.000 0.515 248 L N -1.592 119.707 121.223 0.127 0.000 2.156 248 L HA -0.203 4.146 4.340 0.015 0.000 0.208 248 L C 2.261 179.184 176.870 0.089 0.000 1.095 248 L CA 1.334 56.224 54.840 0.084 0.000 0.770 248 L CB -0.550 41.545 42.059 0.060 0.000 0.914 248 L HN 0.258 nan 8.230 nan 0.000 0.439 249 H N 0.285 119.355 119.070 0.000 0.000 2.387 249 H HA -0.116 4.449 4.556 0.014 0.000 0.299 249 H C 2.151 177.463 175.328 -0.026 0.000 1.090 249 H CA 1.452 57.492 56.048 -0.014 0.000 1.332 249 H CB 0.170 29.917 29.762 -0.026 0.000 1.386 249 H HN 0.272 nan 8.280 nan 0.000 0.516 250 A N 0.474 123.274 122.820 -0.034 0.000 1.902 250 A HA -0.158 4.171 4.320 0.015 0.000 0.217 250 A C 2.292 179.836 177.584 -0.066 0.000 1.181 250 A CA 1.691 53.668 52.037 -0.100 0.000 0.623 250 A CB -0.441 18.477 19.000 -0.137 0.000 0.818 250 A HN 0.388 nan 8.150 nan 0.000 0.443 251 M N 0.042 119.640 119.600 -0.002 0.000 2.086 251 M HA -0.127 4.362 4.480 0.015 0.000 0.261 251 M C 1.379 177.677 176.300 -0.003 0.000 1.067 251 M CA 1.551 56.875 55.300 0.040 0.000 1.116 251 M CB -1.454 31.196 32.600 0.084 0.000 1.348 251 M HN 0.346 nan 8.290 nan 0.000 0.407 252 D N -0.372 120.003 120.400 -0.042 0.000 2.162 252 D HA -0.094 4.555 4.640 0.015 0.000 0.203 252 D C 2.208 178.439 176.300 -0.115 0.000 0.967 252 D CA 0.899 54.865 54.000 -0.058 0.000 0.840 252 D CB -0.093 40.683 40.800 -0.040 0.000 0.972 252 D HN 0.330 nan 8.370 nan 0.000 0.482 253 Q N -0.206 119.459 119.800 -0.225 0.000 2.302 253 Q HA 0.085 4.434 4.340 0.015 0.000 0.202 253 Q C 1.852 177.768 176.000 -0.141 0.000 0.936 253 Q CA 0.397 56.056 55.803 -0.241 0.000 0.886 253 Q CB 1.024 29.483 28.738 -0.465 0.000 0.986 253 Q HN 0.217 nan 8.270 nan 0.000 0.487 254 V N -1.392 118.455 119.914 -0.111 0.000 3.161 254 V HA 0.004 4.133 4.120 0.015 0.000 0.221 254 V C 2.051 178.123 176.094 -0.036 0.000 1.296 254 V CA 0.373 62.630 62.300 -0.072 0.000 1.306 254 V CB -0.170 31.607 31.823 -0.076 0.000 1.171 254 V HN -0.104 nan 8.190 nan 0.000 0.513 255 V N 0.912 120.818 119.914 -0.013 0.000 2.237 255 V HA -0.235 3.894 4.120 0.015 0.000 0.245 255 V C 2.360 178.471 176.094 0.028 0.000 1.046 255 V CA 2.395 64.709 62.300 0.023 0.000 1.007 255 V CB -0.601 31.267 31.823 0.075 0.000 0.638 255 V HN 0.407 nan 8.190 nan 0.000 0.445 256 L N -0.264 120.979 121.223 0.033 0.000 2.017 256 L HA -0.108 4.241 4.340 0.015 0.000 0.208 256 L C 0.079 176.965 176.870 0.026 0.000 1.073 256 L CA 1.701 56.565 54.840 0.039 0.000 0.745 256 L CB -1.987 40.098 42.059 0.044 0.000 0.894 256 L HN 0.346 nan 8.230 nan 0.000 0.432 257 P HA -0.184 nan 4.420 nan 0.000 0.216 257 P C 1.499 178.807 177.300 0.014 0.000 1.150 257 P CA 1.814 64.917 63.100 0.005 0.000 0.837 257 P CB -0.017 31.673 31.700 -0.016 0.000 0.786 258 A N -0.593 122.230 122.820 0.005 0.000 1.877 258 A HA -0.176 4.153 4.320 0.015 0.000 0.216 258 A C 2.221 179.842 177.584 0.062 0.000 1.186 258 A CA 1.512 53.553 52.037 0.007 0.000 0.620 258 A CB -1.666 17.314 19.000 -0.032 0.000 0.822 258 A HN 0.113 nan 8.150 nan 0.000 0.443 259 L N -1.137 120.122 121.223 0.060 0.000 2.046 259 L HA -0.188 4.161 4.340 0.015 0.000 0.208 259 L C 2.896 179.832 176.870 0.110 0.000 1.077 259 L CA 1.481 56.380 54.840 0.100 0.000 0.747 259 L CB -0.479 41.621 42.059 0.067 0.000 0.896 259 L HN 0.355 nan 8.230 nan 0.000 0.432 260 R N -0.119 120.424 120.500 0.070 0.000 2.075 260 R HA -0.101 4.248 4.340 0.015 0.000 0.232 260 R C 2.434 178.769 176.300 0.057 0.000 1.126 260 R CA 1.249 57.381 56.100 0.054 0.000 0.963 260 R CB -0.479 29.843 30.300 0.036 0.000 0.858 260 R HN 0.342 nan 8.270 nan 0.000 0.435 261 A N 0.424 123.286 122.820 0.070 0.000 1.902 261 A HA -0.210 4.119 4.320 0.015 0.000 0.217 261 A C 1.957 179.616 177.584 0.125 0.000 1.181 261 A CA 1.138 53.220 52.037 0.076 0.000 0.623 261 A CB -0.608 18.430 19.000 0.062 0.000 0.818 261 A HN 0.413 nan 8.150 nan 0.000 0.443 262 Y N -0.501 119.815 120.300 0.027 0.000 2.263 262 Y HA -0.001 4.558 4.550 0.016 0.000 0.292 262 Y C 0.490 176.405 175.900 0.025 0.000 1.130 262 Y CA 1.277 59.410 58.100 0.055 0.000 1.179 262 Y CB 0.263 38.758 38.460 0.059 0.000 0.998 262 Y HN 0.357 nan 8.280 nan 0.000 0.532 263 R N -0.190 120.301 120.500 -0.014 0.000 3.209 263 R HA -0.144 4.205 4.340 0.015 0.000 0.252 263 R C -2.827 173.360 176.300 -0.188 0.000 0.958 263 R CA 0.611 56.652 56.100 -0.098 0.000 0.651 263 R CB -2.688 27.539 30.300 -0.121 0.000 1.142 263 R HN 0.347 nan 8.270 nan 0.000 0.441 264 P HA 0.059 nan 4.420 nan 0.000 0.274 264 P C 0.116 177.393 177.300 -0.038 0.000 1.237 264 P CA -0.097 62.998 63.100 -0.009 0.000 0.793 264 P CB 0.580 32.395 31.700 0.192 0.000 0.977 265 Q N -0.078 119.690 119.800 -0.052 0.000 2.360 265 Q HA 0.280 4.629 4.340 0.015 0.000 0.202 265 Q C -0.035 175.950 176.000 -0.025 0.000 0.915 265 Q CA 0.218 55.995 55.803 -0.043 0.000 0.943 265 Q CB 0.140 28.844 28.738 -0.057 0.000 1.064 265 Q HN 0.257 nan 8.270 nan 0.000 0.511 266 L N -0.312 120.897 121.223 -0.022 0.000 2.592 266 L HA 0.452 4.801 4.340 0.015 0.000 0.258 266 L C -1.993 174.853 176.870 -0.040 0.000 0.926 266 L CA -0.537 54.287 54.840 -0.027 0.000 0.885 266 L CB 1.710 43.751 42.059 -0.031 0.000 1.380 266 L HN -0.079 nan 8.230 nan 0.000 0.415 267 I N 5.680 126.213 120.570 -0.061 0.000 2.362 267 I HA 0.475 4.654 4.170 0.015 0.000 0.289 267 I C -0.594 175.410 176.117 -0.189 0.000 0.994 267 I CA -0.386 60.847 61.300 -0.111 0.000 1.158 267 I CB 1.550 39.487 38.000 -0.105 0.000 1.315 267 I HN 0.475 nan 8.210 nan 0.000 0.451 268 I N 6.805 127.245 120.570 -0.215 0.000 2.354 268 I HA 0.350 4.529 4.170 0.015 0.000 0.292 268 I C -0.499 175.387 176.117 -0.385 0.000 0.989 268 I CA -0.835 60.303 61.300 -0.272 0.000 1.188 268 I CB 1.904 39.793 38.000 -0.185 0.000 1.342 268 I HN 0.174 nan 8.210 nan 0.000 0.457 269 V N 5.160 124.720 119.914 -0.591 0.000 2.347 269 V HA 0.364 4.493 4.120 0.015 0.000 0.280 269 V C 0.769 176.493 176.094 -0.616 0.000 1.021 269 V CA -0.635 61.206 62.300 -0.765 0.000 0.847 269 V CB 1.412 32.425 31.823 -1.350 0.000 0.990 269 V HN 0.919 nan 8.190 nan 0.000 0.444 270 G N 2.753 111.256 108.800 -0.494 0.000 2.605 270 G HA2 0.221 4.190 3.960 0.015 0.000 0.301 270 G HA3 0.221 4.190 3.960 0.015 0.000 0.301 270 G C 0.345 174.897 174.900 -0.580 0.000 0.881 270 G CA 0.004 44.860 45.100 -0.407 0.000 1.553 270 G HN 0.661 nan 8.290 nan 0.000 0.483 271 S N 2.439 117.806 115.700 -0.554 0.000 2.592 271 S HA 0.565 5.044 4.470 0.015 0.000 0.305 271 S C 0.905 175.186 174.600 -0.531 0.000 1.118 271 S CA -0.301 57.541 58.200 -0.597 0.000 1.075 271 S CB -0.198 62.901 63.200 -0.169 0.000 1.107 271 S HN 0.727 nan 8.310 nan 0.000 0.503 272 G N 2.288 110.843 108.800 -0.409 0.000 2.437 272 G HA2 0.605 4.574 3.960 0.015 0.000 0.319 272 G HA3 0.605 4.574 3.960 0.015 0.000 0.319 272 G C -0.409 174.123 174.900 -0.613 0.000 1.158 272 G CA -0.701 44.166 45.100 -0.388 0.000 0.899 272 G HN 0.700 nan 8.290 nan 0.000 0.502 273 F N -0.344 119.555 119.950 -0.085 0.000 2.764 273 F HA 0.171 4.707 4.527 0.015 0.000 0.310 273 F C 1.003 176.816 175.800 0.022 0.000 1.124 273 F CA -0.619 57.180 58.000 -0.336 0.000 1.252 273 F CB 1.065 39.699 39.000 -0.609 0.000 1.010 273 F HN 0.427 nan 8.300 nan 0.000 0.518 274 D N 0.154 120.693 120.400 0.232 0.000 2.349 274 D HA -0.012 4.637 4.640 0.015 0.000 0.224 274 D C 1.731 178.199 176.300 0.281 0.000 1.029 274 D CA 0.422 54.601 54.000 0.299 0.000 0.879 274 D CB -0.200 40.854 40.800 0.422 0.000 0.906 274 D HN 0.212 nan 8.370 nan 0.000 0.528 275 A N 0.462 123.481 122.820 0.333 0.000 2.238 275 A HA 0.171 4.500 4.320 0.015 0.000 0.208 275 A C 1.227 178.925 177.584 0.189 0.000 1.177 275 A CA -0.010 52.153 52.037 0.209 0.000 0.804 275 A CB -0.539 18.466 19.000 0.008 0.000 0.823 275 A HN 0.267 nan 8.150 nan 0.000 0.482 276 S N -1.394 114.540 115.700 0.389 0.000 2.585 276 S HA 0.222 4.701 4.470 0.015 0.000 0.273 276 S C 1.054 175.796 174.600 0.238 0.000 1.339 276 S CA 0.253 58.689 58.200 0.394 0.000 1.028 276 S CB 0.408 63.934 63.200 0.543 0.000 0.906 276 S HN 0.338 nan 8.310 nan 0.000 0.528 277 M N 1.971 121.681 119.600 0.184 0.000 2.255 277 M HA -0.004 4.485 4.480 0.015 0.000 0.259 277 M C 0.912 177.241 176.300 0.048 0.000 1.071 277 M CA 1.808 57.140 55.300 0.052 0.000 1.074 277 M CB -0.642 31.922 32.600 -0.060 0.000 1.384 277 M HN 0.777 nan 8.290 nan 0.000 0.415 278 L N -1.157 120.133 121.223 0.112 0.000 3.014 278 L HA 0.251 4.600 4.340 0.015 0.000 0.263 278 L C 0.126 177.106 176.870 0.182 0.000 1.207 278 L CA -0.456 54.443 54.840 0.098 0.000 1.017 278 L CB -0.159 41.911 42.059 0.018 0.000 1.360 278 L HN 0.056 nan 8.230 nan 0.000 0.560 279 D N 1.940 122.470 120.400 0.216 0.000 2.308 279 D HA 0.127 4.775 4.640 0.015 0.000 0.251 279 D C -1.460 174.976 176.300 0.226 0.000 1.127 279 D CA -1.381 52.776 54.000 0.261 0.000 0.876 279 D CB 2.231 43.216 40.800 0.308 0.000 1.176 279 D HN -0.027 nan 8.370 nan 0.000 0.446 280 P HA -0.016 nan 4.420 nan 0.000 0.225 280 P C 1.345 178.747 177.300 0.171 0.000 1.156 280 P CA 0.400 63.603 63.100 0.172 0.000 0.787 280 P CB 0.543 32.334 31.700 0.152 0.000 0.802 281 L N -1.563 119.804 121.223 0.241 0.000 2.628 281 L HA 0.387 4.736 4.340 0.015 0.000 0.229 281 L C 1.019 178.097 176.870 0.346 0.000 1.137 281 L CA -0.175 54.820 54.840 0.258 0.000 0.909 281 L CB -0.052 42.131 42.059 0.206 0.000 1.137 281 L HN -0.026 nan 8.230 nan 0.000 0.470 282 A N -0.599 122.367 122.820 0.244 0.000 2.557 282 A HA 0.662 4.991 4.320 0.015 0.000 0.292 282 A C -0.486 177.189 177.584 0.152 0.000 1.139 282 A CA -0.646 51.502 52.037 0.185 0.000 0.665 282 A CB 1.018 20.081 19.000 0.105 0.000 1.285 282 A HN 0.028 nan 8.150 nan 0.000 0.433 283 R N -0.058 120.522 120.500 0.133 0.000 2.652 283 R HA 0.297 4.646 4.340 0.015 0.000 0.372 283 R C -0.448 175.913 176.300 0.101 0.000 1.104 283 R CA -0.140 56.024 56.100 0.107 0.000 1.072 283 R CB 0.137 30.493 30.300 0.094 0.000 1.367 283 R HN 0.660 nan 8.270 nan 0.000 0.577 284 M N -0.138 119.532 119.600 0.116 0.000 2.513 284 M HA 0.429 4.918 4.480 0.015 0.000 0.291 284 M C 0.995 177.328 176.300 0.056 0.000 1.190 284 M CA -0.343 55.023 55.300 0.110 0.000 0.960 284 M CB 0.826 33.521 32.600 0.159 0.000 1.517 284 M HN -0.063 nan 8.290 nan 0.000 0.499 285 M N 0.444 120.053 119.600 0.015 0.000 2.603 285 M HA 0.220 4.708 4.480 0.015 0.000 0.380 285 M C -0.652 175.594 176.300 -0.090 0.000 1.158 285 M CA -0.169 55.116 55.300 -0.026 0.000 0.921 285 M CB 0.588 33.175 32.600 -0.021 0.000 1.417 285 M HN 0.230 nan 8.290 nan 0.000 0.523 286 V N 1.844 121.640 119.914 -0.196 0.000 2.572 286 V HA 0.143 4.271 4.120 0.015 0.000 0.291 286 V C 0.902 176.883 176.094 -0.190 0.000 1.039 286 V CA 0.014 62.054 62.300 -0.433 0.000 1.055 286 V CB 0.738 31.909 31.823 -1.087 0.000 0.969 286 V HN 0.517 nan 8.190 nan 0.000 0.482 287 T N 2.106 116.584 114.554 -0.127 0.000 2.936 287 T HA 0.617 4.976 4.350 0.015 0.000 0.282 287 T C 1.294 176.077 174.700 0.138 0.000 1.003 287 T CA -0.098 62.096 62.100 0.157 0.000 1.005 287 T CB 1.747 70.698 68.868 0.139 0.000 1.097 287 T HN 0.705 nan 8.240 nan 0.000 0.532 288 A N 0.382 123.341 122.820 0.231 0.000 1.948 288 A HA -0.125 4.204 4.320 0.015 0.000 0.220 288 A C 1.963 179.605 177.584 0.096 0.000 1.177 288 A CA 2.301 54.391 52.037 0.089 0.000 0.636 288 A CB -1.390 17.598 19.000 -0.019 0.000 0.815 288 A HN 1.005 nan 8.150 nan 0.000 0.449 289 D N -0.891 119.574 120.400 0.107 0.000 2.178 289 D HA -0.015 4.634 4.640 0.015 0.000 0.202 289 D C 1.947 178.244 176.300 -0.004 0.000 0.974 289 D CA 1.495 55.532 54.000 0.061 0.000 0.841 289 D CB -0.384 40.473 40.800 0.095 0.000 0.953 289 D HN 0.311 nan 8.370 nan 0.000 0.478 290 G N -0.745 108.004 108.800 -0.085 0.000 2.404 290 G HA2 -0.241 3.728 3.960 0.015 0.000 0.215 290 G HA3 -0.241 3.728 3.960 0.015 0.000 0.215 290 G C 1.346 176.075 174.900 -0.285 0.000 1.174 290 G CA 0.471 45.435 45.100 -0.227 0.000 0.780 290 G HN 0.247 nan 8.290 nan 0.000 0.537 291 F N 0.796 120.640 119.950 -0.176 0.000 2.134 291 F HA 0.048 4.583 4.527 0.014 0.000 0.299 291 F C 2.684 178.418 175.800 -0.111 0.000 1.097 291 F CA 1.277 59.145 58.000 -0.220 0.000 1.264 291 F CB -0.426 38.525 39.000 -0.081 0.000 1.001 291 F HN 0.034 nan 8.300 nan 0.000 0.479 292 R N 0.445 121.012 120.500 0.112 0.000 2.083 292 R HA -0.223 4.126 4.340 0.015 0.000 0.237 292 R C 2.106 178.449 176.300 0.071 0.000 1.137 292 R CA 2.000 58.147 56.100 0.079 0.000 0.951 292 R CB -0.326 30.000 30.300 0.043 0.000 0.851 292 R HN 0.361 nan 8.270 nan 0.000 0.434 293 Q N -0.469 119.347 119.800 0.027 0.000 2.172 293 Q HA -0.103 4.246 4.340 0.015 0.000 0.200 293 Q C 2.196 178.224 176.000 0.047 0.000 0.964 293 Q CA 1.622 57.445 55.803 0.033 0.000 0.855 293 Q CB 0.033 28.776 28.738 0.008 0.000 0.918 293 Q HN 0.413 nan 8.270 nan 0.000 0.444 294 M N -0.070 119.512 119.600 -0.029 0.000 2.132 294 M HA -0.149 4.340 4.480 0.015 0.000 0.263 294 M C 2.346 178.774 176.300 0.212 0.000 1.065 294 M CA 1.510 56.772 55.300 -0.063 0.000 1.122 294 M CB -0.270 32.010 32.600 -0.532 0.000 1.365 294 M HN 0.227 nan 8.290 nan 0.000 0.411 295 A N 0.388 123.401 122.820 0.321 0.000 1.877 295 A HA -0.205 4.124 4.320 0.015 0.000 0.216 295 A C 2.091 179.947 177.584 0.452 0.000 1.186 295 A CA 2.054 54.485 52.037 0.657 0.000 0.620 295 A CB -0.647 18.622 19.000 0.448 0.000 0.822 295 A HN 0.394 nan 8.150 nan 0.000 0.443 296 R N -0.106 120.551 120.500 0.261 0.000 2.083 296 R HA -0.118 4.231 4.340 0.015 0.000 0.237 296 R C 2.260 178.674 176.300 0.191 0.000 1.137 296 R CA 2.083 58.297 56.100 0.190 0.000 0.951 296 R CB -0.518 29.854 30.300 0.120 0.000 0.851 296 R HN 0.523 nan 8.270 nan 0.000 0.434 297 R N -0.944 119.665 120.500 0.182 0.000 2.103 297 R HA -0.103 4.246 4.340 0.015 0.000 0.242 297 R C 2.175 178.591 176.300 0.192 0.000 1.142 297 R CA 2.278 58.475 56.100 0.162 0.000 0.960 297 R CB -0.430 29.957 30.300 0.145 0.000 0.858 297 R HN 0.349 nan 8.270 nan 0.000 0.439 298 T N 0.696 115.418 114.554 0.280 0.000 2.812 298 T HA -0.015 4.344 4.350 0.015 0.000 0.264 298 T C 1.873 176.701 174.700 0.214 0.000 1.042 298 T CA 0.969 63.222 62.100 0.255 0.000 1.140 298 T CB -0.094 68.970 68.868 0.327 0.000 0.870 298 T HN 0.123 nan 8.240 nan 0.000 0.445 299 I N 1.614 122.360 120.570 0.294 0.000 2.226 299 I HA -0.182 3.997 4.170 0.015 0.000 0.245 299 I C 2.283 178.498 176.117 0.163 0.000 1.100 299 I CA 1.214 62.666 61.300 0.254 0.000 1.374 299 I CB -0.364 37.812 38.000 0.292 0.000 1.057 299 I HN 0.107 nan 8.210 nan 0.000 0.413 300 D N 0.082 120.570 120.400 0.147 0.000 2.117 300 D HA -0.197 4.452 4.640 0.015 0.000 0.197 300 D C 2.209 178.563 176.300 0.090 0.000 0.987 300 D CA 1.142 55.206 54.000 0.106 0.000 0.829 300 D CB -0.631 40.226 40.800 0.095 0.000 0.961 300 D HN 0.401 nan 8.370 nan 0.000 0.460 301 C N 1.177 120.535 119.300 0.096 0.000 2.413 301 C HA -0.101 4.368 4.460 0.015 0.000 0.277 301 C C 2.918 177.946 174.990 0.065 0.000 1.228 301 C CA 1.568 60.632 59.018 0.076 0.000 1.731 301 C CB -1.088 26.700 27.740 0.081 0.000 2.042 301 C HN 0.352 nan 8.230 nan 0.000 0.468 302 A N 0.443 123.305 122.820 0.070 0.000 1.917 302 A HA 0.003 4.332 4.320 0.015 0.000 0.219 302 A C 2.499 180.116 177.584 0.054 0.000 1.182 302 A CA 2.594 54.664 52.037 0.055 0.000 0.633 302 A CB -1.260 17.775 19.000 0.058 0.000 0.819 302 A HN 0.943 nan 8.150 nan 0.000 0.448 303 A N -0.194 122.666 122.820 0.066 0.000 1.883 303 A HA -0.234 4.095 4.320 0.015 0.000 0.217 303 A C 1.843 179.453 177.584 0.044 0.000 1.186 303 A CA 2.018 54.089 52.037 0.057 0.000 0.624 303 A CB -0.617 18.422 19.000 0.064 0.000 0.822 303 A HN 0.485 nan 8.150 nan 0.000 0.444 304 D N -0.378 120.048 120.400 0.044 0.000 2.144 304 D HA -0.091 4.558 4.640 0.015 0.000 0.200 304 D C 1.876 178.192 176.300 0.026 0.000 0.978 304 D CA 1.799 55.819 54.000 0.034 0.000 0.833 304 D CB -0.150 40.672 40.800 0.036 0.000 0.961 304 D HN 0.739 nan 8.370 nan 0.000 0.470 305 I N -2.174 118.412 120.570 0.027 0.000 4.139 305 I HA 0.153 4.332 4.170 0.015 0.000 0.320 305 I C 0.731 176.853 176.117 0.009 0.000 1.290 305 I CA -0.021 61.289 61.300 0.017 0.000 1.253 305 I CB 0.548 38.561 38.000 0.022 0.000 1.122 305 I HN -0.018 nan 8.210 nan 0.000 0.421 306 C N -0.182 119.127 119.300 0.015 0.000 3.158 306 C HA 0.489 4.958 4.460 0.015 0.000 0.228 306 C C 0.022 175.021 174.990 0.016 0.000 2.110 306 C CA -0.861 58.161 59.018 0.007 0.000 1.407 306 C CB -0.996 26.745 27.740 0.002 0.000 2.635 306 C HN 0.514 nan 8.230 nan 0.000 0.509 307 D N 1.165 121.577 120.400 0.020 0.000 2.837 307 D HA -0.166 4.483 4.640 0.015 0.000 0.230 307 D C 1.467 177.790 176.300 0.037 0.000 1.152 307 D CA 2.187 56.202 54.000 0.025 0.000 0.736 307 D CB -1.455 39.356 40.800 0.019 0.000 1.084 307 D HN 1.714 nan 8.370 nan 0.000 0.429 308 G N 0.042 108.869 108.800 0.045 0.000 2.155 308 G HA2 -0.409 3.560 3.960 0.015 0.000 0.257 308 G HA3 -0.409 3.560 3.960 0.015 0.000 0.257 308 G C 0.321 175.260 174.900 0.065 0.000 0.983 308 G CA 0.437 45.574 45.100 0.063 0.000 0.676 308 G HN 0.508 nan 8.290 nan 0.000 0.528 309 R N 0.015 120.542 120.500 0.045 0.000 2.357 309 R HA 0.537 4.886 4.340 0.015 0.000 0.330 309 R C -0.007 176.307 176.300 0.024 0.000 1.102 309 R CA 0.154 56.277 56.100 0.039 0.000 0.974 309 R CB 0.365 30.679 30.300 0.023 0.000 1.002 309 R HN 0.466 nan 8.270 nan 0.000 0.463 310 I N 2.350 122.946 120.570 0.044 0.000 2.607 310 I HA 0.291 4.470 4.170 0.015 0.000 0.290 310 I C -1.366 174.769 176.117 0.030 0.000 1.129 310 I CA -0.973 60.323 61.300 -0.006 0.000 1.042 310 I CB 2.097 40.112 38.000 0.025 0.000 1.242 310 I HN 0.181 nan 8.210 nan 0.000 0.421 311 V N 7.863 127.722 119.914 -0.091 0.000 2.443 311 V HA 0.426 4.555 4.120 0.015 0.000 0.293 311 V C -0.705 175.267 176.094 -0.203 0.000 1.021 311 V CA -0.409 61.869 62.300 -0.037 0.000 0.848 311 V CB 1.532 33.332 31.823 -0.039 0.000 0.998 311 V HN 0.455 nan 8.190 nan 0.000 0.424 312 F N 3.934 123.751 119.950 -0.222 0.000 2.394 312 F HA 0.634 5.169 4.527 0.014 0.000 0.340 312 F C 0.233 175.660 175.800 -0.622 0.000 1.105 312 F CA -0.443 57.274 58.000 -0.472 0.000 1.124 312 F CB 1.755 40.404 39.000 -0.585 0.000 1.145 312 F HN 0.172 nan 8.300 nan 0.000 0.505 313 V N 3.022 122.691 119.914 -0.408 0.000 2.525 313 V HA 0.262 4.390 4.120 0.015 0.000 0.299 313 V C -0.397 175.530 176.094 -0.277 0.000 1.034 313 V CA -1.101 61.007 62.300 -0.319 0.000 0.863 313 V CB 1.510 33.213 31.823 -0.200 0.000 0.999 313 V HN 0.591 nan 8.190 nan 0.000 0.423 314 Q N 3.931 123.646 119.800 -0.142 0.000 2.263 314 Q HA 0.107 4.456 4.340 0.015 0.000 0.289 314 Q C 0.279 176.230 176.000 -0.081 0.000 1.061 314 Q CA 1.046 56.867 55.803 0.029 0.000 0.927 314 Q CB 0.563 29.440 28.738 0.232 0.000 1.154 314 Q HN 0.742 nan 8.270 nan 0.000 0.378 315 E N 2.095 122.207 120.200 -0.146 0.000 3.617 315 E HA 0.470 4.829 4.350 0.015 0.000 0.351 315 E C 0.167 176.711 176.600 -0.092 0.000 0.551 315 E CA -0.084 56.203 56.400 -0.187 0.000 2.098 315 E CB -0.554 28.905 29.700 -0.402 0.000 2.118 315 E HN 0.703 nan 8.360 nan 0.000 0.450 316 G N -1.240 107.512 108.800 -0.080 0.000 2.532 316 G HA2 0.514 4.483 3.960 0.015 0.000 0.291 316 G HA3 0.514 4.483 3.960 0.015 0.000 0.291 316 G C -0.304 174.458 174.900 -0.231 0.000 1.349 316 G CA 0.008 45.083 45.100 -0.041 0.000 1.038 316 G HN 0.526 nan 8.290 nan 0.000 0.518 317 G N -2.768 105.590 108.800 -0.738 0.000 2.542 317 G HA2 0.261 4.230 3.960 0.015 0.000 0.391 317 G HA3 0.261 4.230 3.960 0.015 0.000 0.391 317 G C -0.952 173.477 174.900 -0.786 0.000 1.551 317 G CA -0.556 44.295 45.100 -0.414 0.000 0.946 317 G HN 0.702 nan 8.290 nan 0.000 0.662 318 Y N 0.955 121.387 120.300 0.220 0.000 2.717 318 Y HA 0.496 5.055 4.550 0.016 0.000 0.250 318 Y C 1.366 177.359 175.900 0.154 0.000 1.149 318 Y CA -0.092 58.124 58.100 0.193 0.000 1.211 318 Y CB 1.429 40.017 38.460 0.213 0.000 1.289 318 Y HN 0.592 nan 8.280 nan 0.000 0.552 319 S N 3.961 119.786 115.700 0.208 0.000 2.409 319 S HA 0.193 4.672 4.470 0.015 0.000 0.308 319 S C -1.516 173.108 174.600 0.040 0.000 1.080 319 S CA -1.610 56.697 58.200 0.178 0.000 1.081 319 S CB 0.621 63.966 63.200 0.242 0.000 1.009 319 S HN 0.066 nan 8.310 nan 0.000 0.502 320 P HA -0.102 nan 4.420 nan 0.000 0.220 320 P C 0.459 177.640 177.300 -0.198 0.000 1.148 320 P CA 1.240 64.224 63.100 -0.193 0.000 0.803 320 P CB -0.004 31.513 31.700 -0.304 0.000 0.782 321 H N -2.047 117.082 119.070 0.099 0.000 2.326 321 H HA -0.066 4.499 4.556 0.014 0.000 0.301 321 H C 2.082 177.512 175.328 0.171 0.000 1.081 321 H CA 1.520 57.651 56.048 0.140 0.000 1.334 321 H CB -0.846 28.964 29.762 0.080 0.000 1.385 321 H HN 0.182 nan 8.280 nan 0.000 0.504 322 Y N -0.214 120.084 120.300 -0.004 0.000 2.558 322 Y HA 0.094 4.653 4.550 0.014 0.000 0.273 322 Y C 2.220 178.087 175.900 -0.054 0.000 1.100 322 Y CA -0.206 57.835 58.100 -0.099 0.000 1.276 322 Y CB 0.347 38.676 38.460 -0.219 0.000 1.196 322 Y HN 0.101 nan 8.280 nan 0.000 0.527 323 L N 1.401 122.554 121.223 -0.118 0.000 2.021 323 L HA -0.183 4.166 4.340 0.015 0.000 0.215 323 L C -1.091 175.402 176.870 -0.627 0.000 1.074 323 L CA 1.810 56.440 54.840 -0.349 0.000 0.760 323 L CB -1.187 40.786 42.059 -0.143 0.000 0.889 323 L HN 0.101 nan 8.230 nan 0.000 0.433 324 P HA -0.187 nan 4.420 nan 0.000 0.216 324 P C 1.263 178.074 177.300 -0.815 0.000 1.150 324 P CA 1.719 64.469 63.100 -0.583 0.000 0.843 324 P CB -0.135 31.303 31.700 -0.436 0.000 0.787 325 F N -1.319 118.358 119.950 -0.455 0.000 2.259 325 F HA -0.123 4.413 4.527 0.014 0.000 0.298 325 F C 2.445 177.857 175.800 -0.647 0.000 1.088 325 F CA 0.793 58.540 58.000 -0.422 0.000 1.358 325 F CB -1.467 37.426 39.000 -0.179 0.000 1.040 325 F HN -0.027 nan 8.300 nan 0.000 0.505 326 C N -0.037 118.766 119.300 -0.829 0.000 2.453 326 C HA -0.060 4.409 4.460 0.015 0.000 0.277 326 C C 3.155 177.291 174.990 -1.422 0.000 1.262 326 C CA 1.185 59.608 59.018 -0.992 0.000 1.718 326 C CB -1.629 25.412 27.740 -1.165 0.000 2.031 326 C HN 0.631 nan 8.230 nan 0.000 0.480 327 G N 0.376 107.968 108.800 -2.013 0.000 2.421 327 G HA2 -0.208 3.761 3.960 0.015 0.000 0.216 327 G HA3 -0.208 3.761 3.960 0.015 0.000 0.216 327 G C 1.533 175.808 174.900 -1.042 0.000 1.171 327 G CA 0.924 44.694 45.100 -2.217 0.000 0.775 327 G HN 0.444 nan 8.290 nan 0.000 0.543 328 L N 1.402 122.172 121.223 -0.754 0.000 2.042 328 L HA 0.044 4.393 4.340 0.015 0.000 0.210 328 L C 3.090 179.839 176.870 -0.202 0.000 1.076 328 L CA 2.163 56.837 54.840 -0.277 0.000 0.749 328 L CB -0.605 41.307 42.059 -0.246 0.000 0.893 328 L HN 0.248 nan 8.230 nan 0.000 0.432 329 A N -1.415 121.267 122.820 -0.231 0.000 1.933 329 A HA -0.149 4.180 4.320 0.015 0.000 0.218 329 A C 2.243 179.786 177.584 -0.068 0.000 1.175 329 A CA 1.945 53.918 52.037 -0.106 0.000 0.628 329 A CB -1.005 17.953 19.000 -0.071 0.000 0.814 329 A HN 0.312 nan 8.150 nan 0.000 0.444 330 V N 0.610 120.469 119.914 -0.091 0.000 2.358 330 V HA -0.220 3.908 4.120 0.015 0.000 0.246 330 V C 2.428 178.471 176.094 -0.085 0.000 1.047 330 V CA 1.598 63.890 62.300 -0.012 0.000 1.035 330 V CB -0.657 31.271 31.823 0.175 0.000 0.658 330 V HN 0.511 nan 8.190 nan 0.000 0.452 331 I N 0.309 120.826 120.570 -0.089 0.000 2.208 331 I HA -0.238 3.941 4.170 0.015 0.000 0.245 331 I C 2.519 178.610 176.117 -0.043 0.000 1.097 331 I CA 1.743 63.007 61.300 -0.060 0.000 1.363 331 I CB -1.256 36.700 38.000 -0.073 0.000 1.051 331 I HN 0.469 nan 8.210 nan 0.000 0.413 332 E N 0.411 120.581 120.200 -0.051 0.000 2.153 332 E HA -0.204 4.155 4.350 0.015 0.000 0.194 332 E C 1.974 178.560 176.600 -0.023 0.000 0.988 332 E CA 0.775 57.150 56.400 -0.043 0.000 0.811 332 E CB 0.022 29.697 29.700 -0.042 0.000 0.746 332 E HN 0.423 nan 8.360 nan 0.000 0.466 333 E N 0.512 120.708 120.200 -0.008 0.000 2.204 333 E HA -0.110 4.249 4.350 0.015 0.000 0.194 333 E C 2.140 178.764 176.600 0.041 0.000 0.989 333 E CA 0.552 56.968 56.400 0.026 0.000 0.824 333 E CB -0.029 29.707 29.700 0.060 0.000 0.756 333 E HN 0.329 nan 8.360 nan 0.000 0.477 334 L N 0.660 121.896 121.223 0.022 0.000 2.044 334 L HA -0.121 4.228 4.340 0.015 0.000 0.205 334 L C 2.620 179.523 176.870 0.055 0.000 1.075 334 L CA 1.758 56.634 54.840 0.061 0.000 0.747 334 L CB -0.623 41.477 42.059 0.068 0.000 0.903 334 L HN 0.193 nan 8.230 nan 0.000 0.435 335 T N -3.570 110.997 114.554 0.023 0.000 3.023 335 T HA 0.055 4.414 4.350 0.015 0.000 0.266 335 T C 1.543 176.221 174.700 -0.036 0.000 1.093 335 T CA 0.601 62.703 62.100 0.003 0.000 1.129 335 T CB -0.085 68.770 68.868 -0.021 0.000 0.899 335 T HN 0.477 nan 8.240 nan 0.000 0.491 336 G N 0.644 109.423 108.800 -0.034 0.000 2.153 336 G HA2 -0.202 3.767 3.960 0.015 0.000 0.252 336 G HA3 -0.202 3.767 3.960 0.015 0.000 0.252 336 G C 0.015 174.856 174.900 -0.098 0.000 0.994 336 G CA 0.110 45.184 45.100 -0.043 0.000 0.698 336 G HN 0.794 nan 8.290 nan 0.000 0.521 337 V N 0.559 120.378 119.914 -0.157 0.000 2.334 337 V HA 0.546 4.675 4.120 0.015 0.000 0.281 337 V C 0.484 176.497 176.094 -0.134 0.000 1.016 337 V CA -0.685 61.478 62.300 -0.228 0.000 0.832 337 V CB 1.412 32.897 31.823 -0.564 0.000 0.999 337 V HN 0.344 nan 8.190 nan 0.000 0.439 338 R N 3.032 123.480 120.500 -0.087 0.000 2.312 338 R HA 0.372 4.721 4.340 0.015 0.000 0.310 338 R C 0.556 176.835 176.300 -0.035 0.000 1.064 338 R CA -0.085 55.986 56.100 -0.049 0.000 0.983 338 R CB 1.200 31.478 30.300 -0.036 0.000 1.139 338 R HN 0.803 nan 8.270 nan 0.000 0.536 339 S N 1.833 117.520 115.700 -0.022 0.000 2.701 339 S HA 0.291 4.770 4.470 0.015 0.000 0.242 339 S C 0.307 174.915 174.600 0.012 0.000 1.025 339 S CA -0.368 57.829 58.200 -0.005 0.000 1.016 339 S CB 0.535 63.739 63.200 0.007 0.000 0.977 339 S HN 0.340 nan 8.310 nan 0.000 0.546 340 L N 1.933 123.170 121.223 0.023 0.000 2.455 340 L HA 0.576 4.925 4.340 0.015 0.000 0.264 340 L C -2.821 174.081 176.870 0.054 0.000 0.968 340 L CA -1.988 52.884 54.840 0.054 0.000 0.827 340 L CB 2.532 44.657 42.059 0.108 0.000 1.317 340 L HN 0.038 nan 8.230 nan 0.000 0.407 341 P HA 0.162 nan 4.420 nan 0.000 0.276 341 P C -1.249 176.064 177.300 0.021 0.000 1.252 341 P CA -0.442 62.660 63.100 0.003 0.000 0.802 341 P CB 0.546 32.227 31.700 -0.031 0.000 1.035 342 D N 1.544 121.957 120.400 0.021 0.000 2.336 342 D HA 0.067 4.716 4.640 0.015 0.000 0.249 342 D C -1.513 174.740 176.300 -0.078 0.000 1.213 342 D CA -2.120 51.885 54.000 0.007 0.000 0.870 342 D CB 0.433 41.344 40.800 0.186 0.000 1.076 342 D HN 0.131 nan 8.370 nan 0.000 0.483 343 P HA -0.083 nan 4.420 nan 0.000 0.233 343 P C 0.512 177.589 177.300 -0.371 0.000 1.167 343 P CA 0.620 63.497 63.100 -0.372 0.000 0.770 343 P CB -0.011 31.355 31.700 -0.557 0.000 0.837 344 Y N -1.647 118.579 120.300 -0.124 0.000 2.511 344 Y HA 0.009 4.568 4.550 0.016 0.000 0.279 344 Y C 2.716 178.634 175.900 0.030 0.000 1.157 344 Y CA 0.258 58.343 58.100 -0.025 0.000 1.300 344 Y CB -0.981 37.412 38.460 -0.112 0.000 1.052 344 Y HN 0.074 nan 8.280 nan 0.000 0.529 345 H N 0.815 119.948 119.070 0.106 0.000 2.319 345 H HA -0.166 4.399 4.556 0.015 0.000 0.297 345 H C 1.867 177.217 175.328 0.036 0.000 1.097 345 H CA 2.338 58.431 56.048 0.075 0.000 1.285 345 H CB 0.292 30.081 29.762 0.044 0.000 1.368 345 H HN 0.094 nan 8.280 nan 0.000 0.495 346 E N -0.303 119.921 120.200 0.040 0.000 2.107 346 E HA -0.136 4.223 4.350 0.015 0.000 0.191 346 E C 2.107 178.695 176.600 -0.020 0.000 0.982 346 E CA 0.609 56.996 56.400 -0.021 0.000 0.809 346 E CB -0.542 29.194 29.700 0.060 0.000 0.756 346 E HN 0.507 nan 8.360 nan 0.000 0.459 347 F N 1.470 121.359 119.950 -0.101 0.000 2.126 347 F HA -0.162 4.374 4.527 0.015 0.000 0.299 347 F C 1.944 177.673 175.800 -0.118 0.000 1.096 347 F CA 1.309 59.254 58.000 -0.091 0.000 1.255 347 F CB -0.175 38.791 39.000 -0.056 0.000 0.997 347 F HN -0.081 nan 8.300 nan 0.000 0.479 348 L N -0.771 120.252 121.223 -0.333 0.000 2.354 348 L HA 0.144 4.493 4.340 0.015 0.000 0.212 348 L C 2.602 179.257 176.870 -0.359 0.000 1.091 348 L CA 0.691 55.260 54.840 -0.450 0.000 0.828 348 L CB -1.012 40.851 42.059 -0.327 0.000 0.973 348 L HN 0.141 nan 8.230 nan 0.000 0.461 349 A N 0.590 123.184 122.820 -0.376 0.000 2.070 349 A HA -0.072 4.257 4.320 0.015 0.000 0.220 349 A C 2.166 179.618 177.584 -0.221 0.000 1.159 349 A CA 1.598 53.418 52.037 -0.362 0.000 0.656 349 A CB -0.780 17.888 19.000 -0.553 0.000 0.800 349 A HN 0.421 nan 8.150 nan 0.000 0.453 350 G N -1.555 107.121 108.800 -0.207 0.000 3.042 350 G HA2 0.176 4.145 3.960 0.015 0.000 0.212 350 G HA3 0.176 4.145 3.960 0.015 0.000 0.212 350 G C 1.259 176.067 174.900 -0.152 0.000 1.166 350 G CA 0.325 45.336 45.100 -0.148 0.000 0.767 350 G HN 0.455 nan 8.290 nan 0.000 0.546 351 M N 0.320 119.802 119.600 -0.198 0.000 2.492 351 M HA 0.240 4.729 4.480 0.015 0.000 0.262 351 M C 1.385 177.611 176.300 -0.123 0.000 1.090 351 M CA 0.932 56.122 55.300 -0.182 0.000 1.110 351 M CB 0.089 32.543 32.600 -0.244 0.000 1.407 351 M HN 0.310 nan 8.290 nan 0.000 0.470 352 G N -0.913 107.822 108.800 -0.109 0.000 2.549 352 G HA2 0.145 4.114 3.960 0.015 0.000 0.404 352 G HA3 0.145 4.114 3.960 0.015 0.000 0.404 352 G C 0.287 175.146 174.900 -0.068 0.000 1.292 352 G CA -0.565 44.490 45.100 -0.075 0.000 0.935 352 G HN 0.619 nan 8.290 nan 0.000 0.512 353 G N -1.554 107.218 108.800 -0.046 0.000 2.234 353 G HA2 -0.244 3.724 3.960 0.015 0.000 0.235 353 G HA3 -0.244 3.724 3.960 0.015 0.000 0.235 353 G C 0.849 175.733 174.900 -0.027 0.000 0.997 353 G CA 1.097 46.179 45.100 -0.031 0.000 0.623 353 G HN 1.525 nan 8.290 nan 0.000 0.514 354 N N 0.895 119.574 118.700 -0.035 0.000 2.322 354 N HA 0.153 4.902 4.740 0.015 0.000 0.194 354 N C 0.029 175.524 175.510 -0.024 0.000 1.126 354 N CA 0.900 53.934 53.050 -0.027 0.000 0.845 354 N CB 0.541 39.011 38.487 -0.028 0.000 0.976 354 N HN 0.431 nan 8.380 nan 0.000 0.475 355 T N 1.259 115.796 114.554 -0.029 0.000 2.807 355 T HA 0.268 4.627 4.350 0.015 0.000 0.279 355 T C -0.219 174.454 174.700 -0.044 0.000 0.993 355 T CA -0.599 61.480 62.100 -0.035 0.000 0.970 355 T CB 2.082 70.929 68.868 -0.035 0.000 0.950 355 T HN -0.078 nan 8.240 nan 0.000 0.441 356 L N 5.338 126.521 121.223 -0.066 0.000 2.456 356 L HA 0.343 4.691 4.340 0.015 0.000 0.277 356 L C -0.515 176.297 176.870 -0.098 0.000 1.124 356 L CA 0.160 54.938 54.840 -0.103 0.000 0.880 356 L CB -0.454 41.486 42.059 -0.198 0.000 1.192 356 L HN 0.549 nan 8.230 nan 0.000 0.463 357 L N 4.436 125.615 121.223 -0.074 0.000 2.418 357 L HA 0.218 4.567 4.340 0.015 0.000 0.265 357 L C 1.146 177.975 176.870 -0.068 0.000 1.143 357 L CA -0.737 54.069 54.840 -0.058 0.000 0.809 357 L CB 0.544 42.580 42.059 -0.037 0.000 1.124 357 L HN 0.569 nan 8.230 nan 0.000 0.456 358 D N 1.557 121.925 120.400 -0.054 0.000 2.116 358 D HA -0.186 4.463 4.640 0.015 0.000 0.193 358 D C 1.932 178.207 176.300 -0.042 0.000 0.998 358 D CA 1.813 55.783 54.000 -0.049 0.000 0.836 358 D CB 0.051 40.830 40.800 -0.034 0.000 0.951 358 D HN 0.700 nan 8.370 nan 0.000 0.449 359 A N 0.713 123.513 122.820 -0.032 0.000 1.933 359 A HA -0.202 4.126 4.320 0.015 0.000 0.218 359 A C 2.076 179.640 177.584 -0.033 0.000 1.175 359 A CA 1.549 53.570 52.037 -0.026 0.000 0.628 359 A CB -0.456 18.535 19.000 -0.016 0.000 0.814 359 A HN 0.235 nan 8.150 nan 0.000 0.444 360 E N -0.741 119.434 120.200 -0.040 0.000 2.028 360 E HA -0.177 4.182 4.350 0.015 0.000 0.191 360 E C 2.307 178.883 176.600 -0.040 0.000 0.988 360 E CA 1.075 57.447 56.400 -0.045 0.000 0.799 360 E CB -0.216 29.455 29.700 -0.048 0.000 0.755 360 E HN 0.590 nan 8.360 nan 0.000 0.447 361 R N 0.858 121.313 120.500 -0.074 0.000 2.096 361 R HA -0.210 4.139 4.340 0.015 0.000 0.240 361 R C 2.279 178.583 176.300 0.007 0.000 1.139 361 R CA 1.605 57.661 56.100 -0.074 0.000 0.952 361 R CB -0.304 29.905 30.300 -0.152 0.000 0.854 361 R HN 0.178 nan 8.270 nan 0.000 0.436 362 A N 0.649 123.459 122.820 -0.017 0.000 1.902 362 A HA -0.121 4.207 4.320 0.015 0.000 0.217 362 A C 2.389 179.962 177.584 -0.018 0.000 1.181 362 A CA 1.760 53.791 52.037 -0.011 0.000 0.623 362 A CB -0.827 18.162 19.000 -0.018 0.000 0.818 362 A HN 0.581 nan 8.150 nan 0.000 0.443 363 A N -0.177 122.623 122.820 -0.033 0.000 1.908 363 A HA -0.133 4.196 4.320 0.015 0.000 0.218 363 A C 2.117 179.668 177.584 -0.055 0.000 1.181 363 A CA 1.729 53.729 52.037 -0.061 0.000 0.627 363 A CB -0.578 18.372 19.000 -0.083 0.000 0.818 363 A HN 0.524 nan 8.150 nan 0.000 0.445 364 I N -1.298 119.261 120.570 -0.019 0.000 2.406 364 I HA -0.134 4.045 4.170 0.015 0.000 0.249 364 I C 2.422 178.531 176.117 -0.012 0.000 1.122 364 I CA 1.306 62.597 61.300 -0.015 0.000 1.431 364 I CB -0.196 37.842 38.000 0.063 0.000 1.087 364 I HN 0.278 nan 8.210 nan 0.000 0.424 365 E N 1.488 121.700 120.200 0.021 0.000 2.209 365 E HA -0.239 4.120 4.350 0.015 0.000 0.196 365 E C 1.861 178.454 176.600 -0.012 0.000 0.993 365 E CA 1.316 57.724 56.400 0.012 0.000 0.819 365 E CB -0.096 29.622 29.700 0.029 0.000 0.745 365 E HN 0.414 nan 8.360 nan 0.000 0.477 366 E N -0.538 119.649 120.200 -0.021 0.000 2.209 366 E HA -0.175 4.184 4.350 0.015 0.000 0.196 366 E C 1.404 177.985 176.600 -0.030 0.000 0.993 366 E CA 0.906 57.290 56.400 -0.026 0.000 0.819 366 E CB -0.011 29.668 29.700 -0.036 0.000 0.745 366 E HN 0.363 nan 8.360 nan 0.000 0.477 367 I N -0.159 120.387 120.570 -0.040 0.000 3.265 367 I HA -0.084 4.094 4.170 0.015 0.000 0.282 367 I C 2.235 178.322 176.117 -0.050 0.000 1.207 367 I CA 0.434 61.706 61.300 -0.047 0.000 1.449 367 I CB -0.822 37.142 38.000 -0.059 0.000 1.121 367 I HN -0.041 nan 8.210 nan 0.000 0.442 368 V N 2.898 122.785 119.914 -0.046 0.000 2.282 368 V HA -0.194 3.935 4.120 0.015 0.000 0.249 368 V C -0.111 175.959 176.094 -0.040 0.000 1.057 368 V CA 2.326 64.598 62.300 -0.046 0.000 1.032 368 V CB -1.987 29.812 31.823 -0.039 0.000 0.645 368 V HN 0.273 nan 8.190 nan 0.000 0.447 369 P HA -0.105 nan 4.420 nan 0.000 0.221 369 P C 1.721 178.997 177.300 -0.039 0.000 1.145 369 P CA 1.165 64.248 63.100 -0.028 0.000 0.795 369 P CB -0.104 31.584 31.700 -0.019 0.000 0.775 370 L N -1.670 119.522 121.223 -0.052 0.000 2.275 370 L HA -0.098 4.250 4.340 0.015 0.000 0.215 370 L C 2.218 179.027 176.870 -0.101 0.000 1.119 370 L CA 0.900 55.692 54.840 -0.080 0.000 0.790 370 L CB -0.946 41.058 42.059 -0.092 0.000 0.919 370 L HN 0.026 nan 8.230 nan 0.000 0.443 371 L N 0.313 121.489 121.223 -0.079 0.000 2.079 371 L HA -0.217 4.132 4.340 0.015 0.000 0.210 371 L C 2.924 179.753 176.870 -0.068 0.000 1.081 371 L CA 1.193 55.989 54.840 -0.074 0.000 0.752 371 L CB -0.817 41.213 42.059 -0.049 0.000 0.896 371 L HN 0.267 nan 8.230 nan 0.000 0.433 372 A N -0.270 122.519 122.820 -0.053 0.000 2.024 372 A HA -0.219 4.110 4.320 0.015 0.000 0.220 372 A C 1.725 179.282 177.584 -0.045 0.000 1.164 372 A CA 1.928 53.943 52.037 -0.037 0.000 0.643 372 A CB -0.404 18.581 19.000 -0.024 0.000 0.806 372 A HN 0.400 nan 8.150 nan 0.000 0.451 373 D N -0.532 119.819 120.400 -0.083 0.000 2.340 373 D HA 0.140 4.789 4.640 0.015 0.000 0.220 373 D C 0.253 176.436 176.300 -0.194 0.000 1.039 373 D CA 0.178 54.114 54.000 -0.105 0.000 0.866 373 D CB -0.013 40.720 40.800 -0.112 0.000 0.913 373 D HN 0.459 nan 8.370 nan 0.000 0.523 374 I N 1.537 121.998 120.570 -0.183 0.000 2.379 374 I HA 0.180 4.359 4.170 0.015 0.000 0.290 374 I C 0.526 176.680 176.117 0.062 0.000 1.063 374 I CA -0.114 61.086 61.300 -0.166 0.000 1.351 374 I CB 0.284 38.236 38.000 -0.080 0.000 1.410 374 I HN -0.142 nan 8.210 nan 0.000 0.505 375 R N 0.000 120.646 120.500 0.243 0.000 2.786 375 R HA 0.000 4.349 4.340 0.015 0.000 0.208 375 R CA 0.000 56.233 56.100 0.221 0.000 0.921 375 R CB 0.000 30.369 30.300 0.116 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535