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 1zz0_1_A DATA FIRST_RESID 2 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 VPLLADI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.639 177.584 0.092 0.000 1.274 2 A CA 0.000 52.082 52.037 0.075 0.000 0.836 2 A CB 0.000 19.039 19.000 0.064 0.000 0.831 3 I N 2.730 123.363 120.570 0.106 0.000 2.355 3 I HA 0.500 4.670 4.170 0.000 0.000 0.288 3 I C 1.005 177.216 176.117 0.157 0.000 0.999 3 I CA -0.248 61.132 61.300 0.134 0.000 1.163 3 I CB 0.923 39.003 38.000 0.133 0.000 1.316 3 I HN 0.755 nan 8.210 nan 0.000 0.454 4 G N 5.486 114.389 108.800 0.172 0.000 2.507 4 G HA2 0.364 4.324 3.960 0.000 0.000 0.271 4 G HA3 0.364 4.324 3.960 0.000 0.000 0.271 4 G C -1.660 173.415 174.900 0.293 0.000 1.189 4 G CA -0.101 45.112 45.100 0.189 0.000 0.859 4 G HN 0.525 nan 8.290 nan 0.000 0.542 5 Y N 0.916 121.290 120.300 0.123 0.000 2.362 5 Y HA 0.484 5.034 4.550 -0.000 0.000 0.326 5 Y C -1.095 174.897 175.900 0.154 0.000 1.083 5 Y CA -0.961 57.233 58.100 0.156 0.000 1.073 5 Y CB 1.867 40.401 38.460 0.123 0.000 1.211 5 Y HN 0.447 nan 8.280 nan 0.000 0.433 6 V N 6.708 126.410 119.914 -0.353 0.000 2.384 6 V HA 0.353 4.473 4.120 0.000 0.000 0.287 6 V C -0.901 174.974 176.094 -0.365 0.000 1.020 6 V CA -0.732 61.407 62.300 -0.269 0.000 0.850 6 V CB 1.421 33.207 31.823 -0.061 0.000 0.987 6 V HN 0.827 nan 8.190 nan 0.000 0.436 7 W N 5.860 126.856 121.300 -0.507 0.000 2.915 7 W HA 0.509 5.169 4.660 -0.001 0.000 0.337 7 W C -1.614 174.584 176.519 -0.535 0.000 1.102 7 W CA -0.636 56.448 57.345 -0.435 0.000 1.224 7 W CB 2.205 31.273 29.460 -0.653 0.000 1.416 7 W HN 0.577 nan 8.180 nan 0.000 0.503 8 N N 2.284 119.911 118.700 -1.789 0.000 2.258 8 N HA 0.160 4.900 4.740 0.000 0.000 0.299 8 N C 0.583 175.019 175.510 -1.791 0.000 1.047 8 N CA -0.109 51.976 53.050 -1.608 0.000 0.814 8 N CB 2.345 39.818 38.487 -1.690 0.000 1.413 8 N HN 0.403 nan 8.380 nan 0.000 0.478 9 T N 2.847 116.807 114.554 -0.990 0.000 2.721 9 T HA -0.127 4.223 4.350 0.000 0.000 0.268 9 T C 1.839 176.048 174.700 -0.817 0.000 1.038 9 T CA 1.287 63.000 62.100 -0.645 0.000 1.145 9 T CB -0.051 68.522 68.868 -0.492 0.000 0.858 9 T HN 0.506 nan 8.240 nan 0.000 0.459 10 L N -0.443 120.221 121.223 -0.932 0.000 2.275 10 L HA -0.036 4.305 4.340 0.000 0.000 0.215 10 L C 2.182 178.842 176.870 -0.349 0.000 1.119 10 L CA 1.120 55.533 54.840 -0.710 0.000 0.790 10 L CB -0.720 41.006 42.059 -0.555 0.000 0.919 10 L HN 0.433 nan 8.230 nan 0.000 0.443 11 Y N 0.111 120.024 120.300 -0.644 0.000 2.241 11 Y HA -0.227 4.324 4.550 0.001 0.000 0.286 11 Y C 2.417 178.173 175.900 -0.241 0.000 1.166 11 Y CA 0.316 58.081 58.100 -0.558 0.000 1.203 11 Y CB -0.376 37.471 38.460 -1.021 0.000 0.977 11 Y HN 0.266 nan 8.280 nan 0.000 0.529 12 G N -2.012 106.817 108.800 0.049 0.000 2.985 12 G HA2 -0.109 3.851 3.960 0.000 0.000 0.209 12 G HA3 -0.109 3.851 3.960 0.000 0.000 0.209 12 G C 0.415 175.564 174.900 0.414 0.000 1.165 12 G CA -0.137 45.187 45.100 0.373 0.000 0.776 12 G HN 0.357 nan 8.290 nan 0.000 0.541 13 W N 0.441 121.710 121.300 -0.051 0.000 3.127 13 W HA 0.419 5.079 4.660 0.000 0.000 0.344 13 W C 0.439 176.894 176.519 -0.107 0.000 1.151 13 W CA -1.461 55.840 57.345 -0.074 0.000 1.765 13 W CB -0.323 29.095 29.460 -0.071 0.000 1.085 13 W HN -0.217 nan 8.180 nan 0.000 0.596 14 V N 2.618 122.580 119.914 0.081 0.000 2.644 14 V HA -0.132 3.988 4.120 0.000 0.000 0.305 14 V C 0.356 176.383 176.094 -0.112 0.000 1.053 14 V CA 0.600 62.885 62.300 -0.026 0.000 1.186 14 V CB 0.339 32.124 31.823 -0.062 0.000 0.895 14 V HN -0.118 nan 8.190 nan 0.000 0.490 15 D N 3.800 124.140 120.400 -0.100 0.000 2.396 15 D HA 0.195 4.835 4.640 0.000 0.000 0.225 15 D C 1.063 177.261 176.300 -0.169 0.000 1.121 15 D CA -0.133 53.789 54.000 -0.129 0.000 0.853 15 D CB 1.450 42.201 40.800 -0.082 0.000 1.043 15 D HN 0.713 nan 8.370 nan 0.000 0.500 16 T N 0.651 115.068 114.554 -0.228 0.000 3.107 16 T HA 0.454 4.804 4.350 0.000 0.000 0.249 16 T C 1.163 175.719 174.700 -0.240 0.000 1.096 16 T CA 0.182 62.079 62.100 -0.339 0.000 1.012 16 T CB 0.045 68.627 68.868 -0.477 0.000 0.977 16 T HN 0.577 nan 8.240 nan 0.000 0.527 17 G N 1.801 110.534 108.800 -0.111 0.000 2.499 17 G HA2 -0.194 3.766 3.960 0.000 0.000 0.232 17 G HA3 -0.194 3.766 3.960 0.000 0.000 0.232 17 G C 0.518 175.434 174.900 0.026 0.000 1.251 17 G CA 0.540 45.618 45.100 -0.037 0.000 0.917 17 G HN 1.073 nan 8.290 nan 0.000 0.580 18 T N -1.773 112.813 114.554 0.054 0.000 3.111 18 T HA 0.628 4.978 4.350 0.000 0.000 0.284 18 T C 1.043 175.799 174.700 0.093 0.000 0.983 18 T CA 1.172 63.316 62.100 0.073 0.000 0.900 18 T CB 0.585 69.481 68.868 0.047 0.000 1.132 18 T HN 1.920 nan 8.240 nan 0.000 0.531 19 G N 0.502 109.381 108.800 0.131 0.000 2.531 19 G HA2 0.501 4.462 3.960 0.000 0.000 0.313 19 G HA3 0.501 4.462 3.960 0.000 0.000 0.313 19 G C 0.538 175.517 174.900 0.133 0.000 1.238 19 G CA -0.419 44.758 45.100 0.127 0.000 0.994 19 G HN 0.158 nan 8.290 nan 0.000 0.493 20 S N -1.031 114.672 115.700 0.006 0.000 2.421 20 S HA 0.050 4.521 4.470 0.000 0.000 0.224 20 S C 1.233 175.527 174.600 -0.511 0.000 1.035 20 S CA 0.946 59.050 58.200 -0.160 0.000 0.953 20 S CB -0.044 63.103 63.200 -0.088 0.000 0.810 20 S HN 0.400 nan 8.310 nan 0.000 0.497 21 L N -0.809 120.271 121.223 -0.239 0.000 2.208 21 L HA 0.589 4.929 4.340 0.000 0.000 0.133 21 L C 0.333 177.317 176.870 0.191 0.000 1.385 21 L CA 0.633 55.397 54.840 -0.127 0.000 1.030 21 L CB -0.700 41.315 42.059 -0.074 0.000 2.075 21 L HN 0.098 nan 8.230 nan 0.000 0.482 22 A N 0.950 123.828 122.820 0.097 0.000 2.267 22 A HA 0.731 5.052 4.320 0.000 0.000 0.271 22 A C 0.387 178.035 177.584 0.108 0.000 1.131 22 A CA 0.145 52.244 52.037 0.104 0.000 0.818 22 A CB -0.592 18.441 19.000 0.055 0.000 1.118 22 A HN 0.659 nan 8.150 nan 0.000 0.501 23 A N -0.733 122.135 122.820 0.080 0.000 2.406 23 A HA 0.530 4.850 4.320 0.000 0.000 0.243 23 A C 0.891 178.506 177.584 0.052 0.000 1.082 23 A CA 0.188 52.265 52.037 0.066 0.000 0.786 23 A CB -0.610 18.416 19.000 0.043 0.000 1.029 23 A HN 2.215 nan 8.150 nan 0.000 0.495 24 A N 0.977 123.826 122.820 0.049 0.000 2.520 24 A HA 0.415 4.735 4.320 0.000 0.000 0.235 24 A C 0.329 177.930 177.584 0.027 0.000 1.065 24 A CA 0.647 52.706 52.037 0.036 0.000 0.764 24 A CB -0.284 18.736 19.000 0.034 0.000 1.002 24 A HN 1.050 nan 8.150 nan 0.000 0.502 25 N N 0.808 119.521 118.700 0.022 0.000 2.542 25 N HA 0.325 5.065 4.740 0.000 0.000 0.288 25 N C 0.065 175.583 175.510 0.014 0.000 1.115 25 N CA -0.629 52.431 53.050 0.017 0.000 0.924 25 N CB 0.975 39.472 38.487 0.017 0.000 1.526 25 N HN 0.420 nan 8.380 nan 0.000 0.515 26 L N 2.863 124.093 121.223 0.012 0.000 2.072 26 L HA 0.099 4.440 4.340 0.000 0.000 0.205 26 L C 1.716 178.592 176.870 0.009 0.000 1.079 26 L CA 2.021 56.867 54.840 0.011 0.000 0.752 26 L CB -0.602 41.462 42.059 0.009 0.000 0.906 26 L HN 0.738 nan 8.230 nan 0.000 0.436 27 T N -0.313 114.246 114.554 0.009 0.000 2.833 27 T HA -0.109 4.241 4.350 0.000 0.000 0.269 27 T C 1.774 176.479 174.700 0.008 0.000 1.054 27 T CA 1.126 63.231 62.100 0.008 0.000 1.135 27 T CB -0.448 68.424 68.868 0.007 0.000 0.869 27 T HN 0.457 nan 8.240 nan 0.000 0.466 28 A N 0.890 123.715 122.820 0.009 0.000 2.168 28 A HA 0.078 4.398 4.320 0.000 0.000 0.215 28 A C 1.007 178.597 177.584 0.009 0.000 1.152 28 A CA 0.203 52.246 52.037 0.009 0.000 0.716 28 A CB -0.183 18.824 19.000 0.011 0.000 0.794 28 A HN 0.289 nan 8.150 nan 0.000 0.465 29 R N -1.865 118.640 120.500 0.010 0.000 3.531 29 R HA -0.152 4.188 4.340 0.000 0.000 0.280 29 R C -0.553 175.753 176.300 0.011 0.000 1.130 29 R CA 0.957 57.063 56.100 0.010 0.000 0.757 29 R CB -2.730 27.575 30.300 0.008 0.000 1.218 29 R HN 0.642 nan 8.270 nan 0.000 0.454 30 M N 1.122 120.729 119.600 0.012 0.000 2.319 30 M HA 0.114 4.594 4.480 0.000 0.000 0.343 30 M C 0.979 177.288 176.300 0.016 0.000 1.364 30 M CA 0.217 55.525 55.300 0.014 0.000 1.292 30 M CB 1.007 33.616 32.600 0.015 0.000 1.432 30 M HN 0.055 nan 8.290 nan 0.000 0.448 31 Q N 4.578 124.387 119.800 0.015 0.000 2.337 31 Q HA 0.205 4.546 4.340 0.000 0.000 0.270 31 Q C -2.183 173.831 176.000 0.022 0.000 1.002 31 Q CA -1.307 54.506 55.803 0.016 0.000 0.888 31 Q CB 0.689 29.435 28.738 0.014 0.000 1.222 31 Q HN 0.301 nan 8.270 nan 0.000 0.400 32 P HA 0.122 nan 4.420 nan 0.000 0.270 32 P C -0.975 176.348 177.300 0.038 0.000 1.223 32 P CA 0.174 63.295 63.100 0.035 0.000 0.785 32 P CB 0.508 32.227 31.700 0.032 0.000 0.923 33 I N -0.165 120.438 120.570 0.055 0.000 2.827 33 I HA 0.159 4.329 4.170 0.000 0.000 0.298 33 I C 0.896 177.073 176.117 0.099 0.000 1.235 33 I CA -0.418 60.919 61.300 0.061 0.000 1.021 33 I CB 2.076 40.106 38.000 0.051 0.000 1.259 33 I HN 0.161 nan 8.210 nan 0.000 0.427 34 S N 2.416 118.182 115.700 0.110 0.000 2.368 34 S HA -0.041 4.429 4.470 0.000 0.000 0.224 34 S C -0.024 174.782 174.600 0.343 0.000 1.029 34 S CA 1.205 59.524 58.200 0.198 0.000 0.988 34 S CB -0.260 63.043 63.200 0.171 0.000 0.838 34 S HN 0.533 nan 8.310 nan 0.000 0.462 35 H N 0.352 119.414 119.070 -0.014 0.000 2.685 35 H HA 0.416 4.972 4.556 0.000 0.000 0.307 35 H C -0.213 175.179 175.328 0.107 0.000 1.017 35 H CA -1.123 54.914 56.048 -0.018 0.000 1.237 35 H CB 0.041 29.680 29.762 -0.205 0.000 1.409 35 H HN 0.329 nan 8.280 nan 0.000 0.488 36 H N 2.118 121.280 119.070 0.152 0.000 2.913 36 H HA -0.026 4.530 4.556 0.000 0.000 0.365 36 H C 1.021 176.391 175.328 0.069 0.000 1.155 36 H CA 0.037 56.124 56.048 0.067 0.000 1.417 36 H CB 0.923 30.683 29.762 -0.003 0.000 1.386 36 H HN 0.664 nan 8.280 nan 0.000 0.614 37 L N 2.774 123.827 121.223 -0.282 0.000 2.089 37 L HA -0.237 4.103 4.340 0.000 0.000 0.213 37 L C 2.058 179.035 176.870 0.179 0.000 1.079 37 L CA 1.660 56.452 54.840 -0.081 0.000 0.758 37 L CB -0.473 41.435 42.059 -0.252 0.000 0.891 37 L HN 0.794 nan 8.230 nan 0.000 0.433 38 A N -2.206 120.777 122.820 0.272 0.000 2.415 38 A HA 0.024 4.345 4.320 0.000 0.000 0.248 38 A C 0.411 178.066 177.584 0.118 0.000 1.299 38 A CA -0.355 51.765 52.037 0.138 0.000 0.899 38 A CB -0.884 17.725 19.000 -0.652 0.000 0.997 38 A HN 0.422 nan 8.150 nan 0.000 0.506 39 H N 1.325 120.451 119.070 0.094 0.000 3.038 39 H HA 0.070 4.626 4.556 0.000 0.000 0.338 39 H C -1.157 174.180 175.328 0.014 0.000 1.041 39 H CA -0.104 55.934 56.048 -0.016 0.000 1.394 39 H CB 1.011 30.718 29.762 -0.092 0.000 1.357 39 H HN 0.118 nan 8.280 nan 0.000 0.600 40 P HA -0.142 nan 4.420 nan 0.000 0.228 40 P C 0.528 177.953 177.300 0.209 0.000 1.151 40 P CA 0.899 64.001 63.100 0.003 0.000 0.770 40 P CB 0.390 32.059 31.700 -0.052 0.000 0.786 41 D N -0.340 120.300 120.400 0.400 0.000 2.221 41 D HA -0.106 4.535 4.640 0.000 0.000 0.204 41 D C 1.861 178.291 176.300 0.218 0.000 0.982 41 D CA 1.275 55.469 54.000 0.323 0.000 0.857 41 D CB -0.808 40.184 40.800 0.320 0.000 0.934 41 D HN 0.156 nan 8.370 nan 0.000 0.475 42 T N 0.483 115.159 114.554 0.203 0.000 2.708 42 T HA -0.123 4.227 4.350 0.000 0.000 0.266 42 T C 1.882 176.675 174.700 0.155 0.000 1.037 42 T CA 1.143 63.323 62.100 0.134 0.000 1.146 42 T CB -0.003 68.930 68.868 0.109 0.000 0.865 42 T HN 0.179 nan 8.240 nan 0.000 0.435 43 K N 0.404 120.930 120.400 0.210 0.000 2.167 43 K HA 0.076 4.396 4.320 0.000 0.000 0.203 43 K C 2.495 179.204 176.600 0.181 0.000 1.052 43 K CA 0.544 57.003 56.287 0.286 0.000 0.956 43 K CB -0.042 32.666 32.500 0.347 0.000 0.735 43 K HN 0.143 nan 8.250 nan 0.000 0.451 44 R N 1.404 122.018 120.500 0.190 0.000 2.092 44 R HA -0.079 4.261 4.340 0.000 0.000 0.231 44 R C 1.991 178.245 176.300 -0.076 0.000 1.119 44 R CA 1.295 57.393 56.100 -0.003 0.000 0.970 44 R CB 0.066 30.501 30.300 0.226 0.000 0.864 44 R HN 0.052 nan 8.270 nan 0.000 0.440 45 R N -0.501 120.015 120.500 0.028 0.000 2.120 45 R HA -0.141 4.199 4.340 0.000 0.000 0.234 45 R C 2.110 178.394 176.300 -0.027 0.000 1.123 45 R CA 1.324 57.418 56.100 -0.009 0.000 0.975 45 R CB -0.415 29.894 30.300 0.015 0.000 0.866 45 R HN 0.224 nan 8.270 nan 0.000 0.446 46 F N 1.208 121.049 119.950 -0.181 0.000 2.084 46 F HA -0.197 4.330 4.527 0.001 0.000 0.296 46 F C 2.275 177.924 175.800 -0.253 0.000 1.111 46 F CA 1.911 59.773 58.000 -0.231 0.000 1.224 46 F CB -1.042 37.869 39.000 -0.147 0.000 0.991 46 F HN 0.047 nan 8.300 nan 0.000 0.471 47 H N 0.304 119.066 119.070 -0.513 0.000 2.319 47 H HA -0.153 4.403 4.556 -0.000 0.000 0.297 47 H C 2.073 177.135 175.328 -0.443 0.000 1.097 47 H CA 2.568 58.207 56.048 -0.683 0.000 1.285 47 H CB -0.445 28.445 29.762 -1.454 0.000 1.368 47 H HN 0.463 nan 8.280 nan 0.000 0.495 48 E N -0.655 119.242 120.200 -0.504 0.000 2.150 48 E HA -0.121 4.229 4.350 0.000 0.000 0.193 48 E C 2.079 178.477 176.600 -0.337 0.000 0.985 48 E CA 0.869 57.015 56.400 -0.423 0.000 0.814 48 E CB -0.056 29.521 29.700 -0.205 0.000 0.752 48 E HN 0.367 nan 8.360 nan 0.000 0.466 49 L N 0.471 121.528 121.223 -0.276 0.000 2.109 49 L HA -0.105 4.235 4.340 0.000 0.000 0.207 49 L C 2.130 178.846 176.870 -0.256 0.000 1.086 49 L CA 1.121 55.810 54.840 -0.251 0.000 0.760 49 L CB -0.176 41.696 42.059 -0.312 0.000 0.910 49 L HN -0.085 nan 8.230 nan 0.000 0.437 50 V N -0.953 118.781 119.914 -0.300 0.000 2.324 50 V HA -0.394 3.727 4.120 0.000 0.000 0.250 50 V C 2.590 178.470 176.094 -0.357 0.000 1.060 50 V CA 2.048 64.134 62.300 -0.356 0.000 1.042 50 V CB -0.920 30.576 31.823 -0.545 0.000 0.650 50 V HN 0.628 nan 8.190 nan 0.000 0.450 51 C N -0.037 119.009 119.300 -0.422 0.000 2.489 51 C HA 0.034 4.494 4.460 0.000 0.000 0.279 51 C C 3.074 177.939 174.990 -0.207 0.000 1.266 51 C CA 0.616 59.440 59.018 -0.323 0.000 1.707 51 C CB -1.295 26.216 27.740 -0.382 0.000 2.059 51 C HN 0.619 nan 8.230 nan 0.000 0.481 52 A N 1.273 123.977 122.820 -0.194 0.000 2.015 52 A HA -0.113 4.208 4.320 0.000 0.000 0.219 52 A C 2.224 179.753 177.584 -0.091 0.000 1.163 52 A CA 1.969 53.932 52.037 -0.122 0.000 0.646 52 A CB -0.718 18.219 19.000 -0.106 0.000 0.806 52 A HN 0.713 nan 8.150 nan 0.000 0.448 53 S N -1.683 113.953 115.700 -0.107 0.000 2.515 53 S HA 0.289 4.760 4.470 0.000 0.000 0.231 53 S C 1.569 176.143 174.600 -0.044 0.000 0.987 53 S CA 1.186 59.346 58.200 -0.066 0.000 0.936 53 S CB -0.520 62.634 63.200 -0.076 0.000 0.766 53 S HN 1.900 nan 8.310 nan 0.000 0.528 54 G N 0.852 109.613 108.800 -0.064 0.000 2.179 54 G HA2 -0.384 3.576 3.960 0.000 0.000 0.260 54 G HA3 -0.384 3.576 3.960 0.000 0.000 0.260 54 G C 0.690 175.593 174.900 0.005 0.000 0.977 54 G CA 0.639 45.715 45.100 -0.040 0.000 0.641 54 G HN 0.560 nan 8.290 nan 0.000 0.533 55 Q N 0.128 119.914 119.800 -0.025 0.000 2.170 55 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 55 Q C 2.361 178.333 176.000 -0.048 0.000 0.976 55 Q CA 2.062 57.872 55.803 0.011 0.000 0.858 55 Q CB -0.345 28.334 28.738 -0.098 0.000 0.907 55 Q HN 0.808 nan 8.270 nan 0.000 0.433 56 I N 0.753 121.221 120.570 -0.170 0.000 2.423 56 I HA -0.223 3.947 4.170 0.000 0.000 0.254 56 I C 1.337 177.368 176.117 -0.144 0.000 1.151 56 I CA 1.458 62.634 61.300 -0.207 0.000 1.421 56 I CB -0.162 37.712 38.000 -0.210 0.000 1.079 56 I HN 0.194 nan 8.210 nan 0.000 0.431 57 E N -0.378 119.712 120.200 -0.184 0.000 2.338 57 E HA -0.139 4.211 4.350 0.000 0.000 0.197 57 E C 1.268 177.596 176.600 -0.452 0.000 1.007 57 E CA 0.846 57.057 56.400 -0.315 0.000 0.849 57 E CB -0.342 29.114 29.700 -0.406 0.000 0.774 57 E HN 0.676 nan 8.360 nan 0.000 0.506 58 H N -0.789 118.251 119.070 -0.049 0.000 2.594 58 H HA 0.287 4.844 4.556 0.001 0.000 0.279 58 H C 0.451 175.769 175.328 -0.017 0.000 1.042 58 H CA 0.011 56.042 56.048 -0.028 0.000 1.177 58 H CB 0.880 30.623 29.762 -0.033 0.000 1.524 58 H HN -0.006 nan 8.280 nan 0.000 0.537 59 L N 0.638 121.881 121.223 0.034 0.000 2.333 59 L HA 0.341 4.681 4.340 0.000 0.000 0.269 59 L C 0.174 177.084 176.870 0.067 0.000 1.010 59 L CA -0.690 54.182 54.840 0.053 0.000 0.818 59 L CB 2.185 44.238 42.059 -0.010 0.000 1.306 59 L HN -0.150 nan 8.230 nan 0.000 0.430 60 T N 2.409 117.028 114.554 0.109 0.000 2.832 60 T HA 0.308 4.658 4.350 0.000 0.000 0.313 60 T C -2.495 172.293 174.700 0.148 0.000 1.035 60 T CA -1.219 60.942 62.100 0.103 0.000 0.950 60 T CB 0.811 69.732 68.868 0.089 0.000 0.984 60 T HN 0.210 nan 8.240 nan 0.000 0.486 61 P HA 0.223 nan 4.420 nan 0.000 0.267 61 P C -0.666 176.697 177.300 0.104 0.000 1.205 61 P CA -0.350 62.858 63.100 0.180 0.000 0.765 61 P CB 0.417 32.213 31.700 0.161 0.000 0.828 62 I N 2.388 123.007 120.570 0.082 0.000 2.436 62 I HA 0.385 4.555 4.170 0.000 0.000 0.289 62 I C 0.412 176.519 176.117 -0.015 0.000 1.010 62 I CA -1.374 59.945 61.300 0.031 0.000 1.098 62 I CB 1.337 39.359 38.000 0.036 0.000 1.266 62 I HN 0.298 nan 8.210 nan 0.000 0.434 63 A N 5.198 127.997 122.820 -0.035 0.000 2.450 63 A HA 0.658 4.978 4.320 0.000 0.000 0.255 63 A C 0.586 178.114 177.584 -0.094 0.000 1.096 63 A CA -0.286 51.703 52.037 -0.080 0.000 0.778 63 A CB 0.311 19.266 19.000 -0.076 0.000 1.031 63 A HN 0.876 nan 8.150 nan 0.000 0.494 64 A N 2.151 124.887 122.820 -0.139 0.000 2.445 64 A HA 0.514 4.834 4.320 0.000 0.000 0.242 64 A C 0.014 177.531 177.584 -0.111 0.000 1.075 64 A CA -0.059 51.909 52.037 -0.115 0.000 0.777 64 A CB 0.111 19.028 19.000 -0.138 0.000 1.013 64 A HN 1.140 nan 8.150 nan 0.000 0.493 65 V N 1.480 121.341 119.914 -0.089 0.000 2.540 65 V HA 0.563 4.683 4.120 0.000 0.000 0.302 65 V C 0.678 176.728 176.094 -0.074 0.000 1.035 65 V CA -0.405 61.845 62.300 -0.084 0.000 0.873 65 V CB 1.442 33.217 31.823 -0.080 0.000 0.992 65 V HN 1.240 nan 8.190 nan 0.000 0.428 66 A N 3.719 126.499 122.820 -0.067 0.000 2.524 66 A HA 0.612 4.932 4.320 0.000 0.000 0.250 66 A C 0.815 178.370 177.584 -0.049 0.000 1.078 66 A CA 0.411 52.418 52.037 -0.050 0.000 0.761 66 A CB 0.017 18.989 19.000 -0.046 0.000 1.012 66 A HN 1.499 nan 8.150 nan 0.000 0.500 67 A N 3.520 126.314 122.820 -0.045 0.000 2.511 67 A HA 0.487 4.807 4.320 0.000 0.000 0.242 67 A C 1.079 178.624 177.584 -0.066 0.000 1.069 67 A CA 0.536 52.535 52.037 -0.063 0.000 0.763 67 A CB -0.448 18.509 19.000 -0.072 0.000 1.001 67 A HN 1.483 nan 8.150 nan 0.000 0.498 68 T N 0.158 114.678 114.554 -0.056 0.000 2.847 68 T HA 0.302 4.652 4.350 0.000 0.000 0.279 68 T C 0.482 175.138 174.700 -0.073 0.000 0.984 68 T CA -0.040 62.032 62.100 -0.048 0.000 0.988 68 T CB 0.653 69.508 68.868 -0.021 0.000 1.040 68 T HN 0.513 nan 8.240 nan 0.000 0.528 69 D N 0.921 121.283 120.400 -0.063 0.000 2.133 69 D HA -0.099 4.541 4.640 0.000 0.000 0.195 69 D C 2.351 178.616 176.300 -0.059 0.000 0.997 69 D CA 1.885 55.840 54.000 -0.075 0.000 0.840 69 D CB -0.855 39.918 40.800 -0.046 0.000 0.947 69 D HN 0.745 nan 8.370 nan 0.000 0.452 70 A N 1.092 123.895 122.820 -0.028 0.000 1.908 70 A HA -0.224 4.096 4.320 0.000 0.000 0.218 70 A C 1.856 179.441 177.584 0.001 0.000 1.181 70 A CA 1.945 53.978 52.037 -0.007 0.000 0.627 70 A CB -0.509 18.497 19.000 0.011 0.000 0.818 70 A HN 0.076 nan 8.150 nan 0.000 0.445 71 D N 0.082 120.483 120.400 0.002 0.000 2.104 71 D HA -0.141 4.499 4.640 0.000 0.000 0.194 71 D C 1.923 178.208 176.300 -0.025 0.000 0.994 71 D CA 1.203 55.216 54.000 0.021 0.000 0.830 71 D CB -0.324 40.474 40.800 -0.002 0.000 0.959 71 D HN 0.334 nan 8.370 nan 0.000 0.452 72 I N 0.829 121.331 120.570 -0.114 0.000 2.226 72 I HA -0.186 3.984 4.170 0.000 0.000 0.245 72 I C 2.441 178.523 176.117 -0.059 0.000 1.100 72 I CA 0.722 61.907 61.300 -0.192 0.000 1.374 72 I CB -0.971 36.723 38.000 -0.510 0.000 1.057 72 I HN 0.056 nan 8.210 nan 0.000 0.413 73 L N 0.084 121.281 121.223 -0.043 0.000 2.456 73 L HA -0.101 4.239 4.340 0.000 0.000 0.224 73 L C 2.525 179.388 176.870 -0.012 0.000 1.148 73 L CA 0.555 55.392 54.840 -0.003 0.000 0.825 73 L CB -0.471 41.586 42.059 -0.003 0.000 0.937 73 L HN 0.198 nan 8.230 nan 0.000 0.450 74 R N -0.103 120.391 120.500 -0.011 0.000 2.189 74 R HA -0.051 4.289 4.340 0.000 0.000 0.223 74 R C 1.965 178.204 176.300 -0.101 0.000 1.092 74 R CA 1.202 57.295 56.100 -0.011 0.000 0.989 74 R CB -0.125 30.210 30.300 0.059 0.000 0.876 74 R HN 0.347 nan 8.270 nan 0.000 0.457 75 A N -0.473 122.256 122.820 -0.152 0.000 2.192 75 A HA 0.160 4.480 4.320 0.000 0.000 0.208 75 A C 0.006 177.280 177.584 -0.518 0.000 1.220 75 A CA 0.049 51.848 52.037 -0.397 0.000 0.900 75 A CB 0.315 19.074 19.000 -0.401 0.000 0.937 75 A HN 0.214 nan 8.150 nan 0.000 0.487 76 H N -0.558 118.518 119.070 0.010 0.000 2.747 76 H HA 0.505 5.061 4.556 0.000 0.000 0.371 76 H C 0.110 175.493 175.328 0.092 0.000 1.161 76 H CA -0.089 56.015 56.048 0.093 0.000 1.167 76 H CB 1.745 31.637 29.762 0.216 0.000 1.732 76 H HN 0.250 nan 8.280 nan 0.000 0.544 77 S N 0.725 116.585 115.700 0.266 0.000 2.585 77 S HA 0.270 4.740 4.470 0.000 0.000 0.273 77 S C 1.427 176.118 174.600 0.152 0.000 1.339 77 S CA -0.261 58.046 58.200 0.178 0.000 1.028 77 S CB 1.378 64.660 63.200 0.137 0.000 0.906 77 S HN 0.823 nan 8.310 nan 0.000 0.528 78 A N 2.543 125.418 122.820 0.092 0.000 1.940 78 A HA 0.109 4.429 4.320 0.000 0.000 0.219 78 A C 2.400 180.021 177.584 0.061 0.000 1.176 78 A CA 1.807 53.880 52.037 0.060 0.000 0.631 78 A CB -1.643 17.380 19.000 0.038 0.000 0.814 78 A HN 1.391 nan 8.150 nan 0.000 0.446 79 A N -0.956 121.907 122.820 0.071 0.000 1.933 79 A HA -0.167 4.153 4.320 0.000 0.000 0.218 79 A C 2.030 179.667 177.584 0.088 0.000 1.175 79 A CA 2.144 54.218 52.037 0.061 0.000 0.628 79 A CB -0.820 18.209 19.000 0.050 0.000 0.814 79 A HN 0.762 nan 8.150 nan 0.000 0.444 80 H N -0.355 118.731 119.070 0.027 0.000 2.293 80 H HA -0.095 4.461 4.556 0.000 0.000 0.300 80 H C 1.786 177.165 175.328 0.084 0.000 1.082 80 H CA 1.823 57.891 56.048 0.032 0.000 1.308 80 H CB -0.460 29.324 29.762 0.037 0.000 1.375 80 H HN 0.286 nan 8.280 nan 0.000 0.495 81 L N 0.810 122.005 121.223 -0.045 0.000 2.013 81 L HA -0.138 4.202 4.340 0.000 0.000 0.212 81 L C 2.306 179.150 176.870 -0.043 0.000 1.073 81 L CA 2.428 57.239 54.840 -0.048 0.000 0.753 81 L CB -0.965 41.082 42.059 -0.020 0.000 0.890 81 L HN 0.383 nan 8.230 nan 0.000 0.432 82 E N -0.212 119.976 120.200 -0.020 0.000 2.110 82 E HA -0.265 4.085 4.350 0.000 0.000 0.193 82 E C 2.076 178.659 176.600 -0.029 0.000 0.988 82 E CA 1.521 57.911 56.400 -0.015 0.000 0.804 82 E CB -0.484 29.216 29.700 -0.000 0.000 0.745 82 E HN 0.602 nan 8.360 nan 0.000 0.458 83 N N -0.844 117.833 118.700 -0.038 0.000 2.166 83 N HA -0.125 4.616 4.740 0.000 0.000 0.186 83 N C 1.443 176.906 175.510 -0.079 0.000 1.019 83 N CA 1.475 54.502 53.050 -0.039 0.000 0.856 83 N CB -0.044 38.444 38.487 0.002 0.000 0.993 83 N HN 0.166 nan 8.380 nan 0.000 0.426 84 M N 0.398 119.907 119.600 -0.151 0.000 2.200 84 M HA -0.015 4.465 4.480 0.000 0.000 0.265 84 M C 1.732 177.983 176.300 -0.081 0.000 1.066 84 M CA 1.100 56.298 55.300 -0.170 0.000 1.127 84 M CB -0.729 31.690 32.600 -0.302 0.000 1.379 84 M HN 0.147 nan 8.290 nan 0.000 0.420 85 K N -0.166 120.209 120.400 -0.042 0.000 2.063 85 K HA -0.171 4.149 4.320 0.000 0.000 0.208 85 K C 2.195 178.779 176.600 -0.026 0.000 1.048 85 K CA 1.247 57.522 56.287 -0.021 0.000 0.928 85 K CB -0.244 32.250 32.500 -0.010 0.000 0.713 85 K HN 0.248 nan 8.250 nan 0.000 0.442 86 R N 1.047 121.531 120.500 -0.028 0.000 2.080 86 R HA -0.153 4.187 4.340 0.000 0.000 0.236 86 R C 2.122 178.406 176.300 -0.027 0.000 1.137 86 R CA 1.638 57.724 56.100 -0.023 0.000 0.943 86 R CB -0.272 30.016 30.300 -0.020 0.000 0.846 86 R HN 0.002 nan 8.270 nan 0.000 0.431 87 V N 0.169 120.061 119.914 -0.037 0.000 2.358 87 V HA -0.203 3.917 4.120 0.000 0.000 0.246 87 V C 2.374 178.446 176.094 -0.038 0.000 1.047 87 V CA 2.012 64.289 62.300 -0.039 0.000 1.035 87 V CB -0.480 31.313 31.823 -0.050 0.000 0.658 87 V HN 0.439 nan 8.190 nan 0.000 0.452 88 S N 0.185 115.859 115.700 -0.043 0.000 2.400 88 S HA -0.231 4.239 4.470 0.000 0.000 0.232 88 S C 1.736 176.323 174.600 -0.022 0.000 1.025 88 S CA 2.101 60.279 58.200 -0.036 0.000 0.993 88 S CB -0.636 62.543 63.200 -0.034 0.000 0.808 88 S HN 0.756 nan 8.310 nan 0.000 0.478 89 N N 0.053 118.742 118.700 -0.019 0.000 2.494 89 N HA 0.139 4.879 4.740 0.000 0.000 0.182 89 N C -0.109 175.394 175.510 -0.013 0.000 1.076 89 N CA -0.074 52.968 53.050 -0.014 0.000 0.908 89 N CB -0.055 38.425 38.487 -0.012 0.000 0.967 89 N HN 0.372 nan 8.380 nan 0.000 0.449 90 L N 1.657 122.871 121.223 -0.015 0.000 2.483 90 L HA 0.052 4.392 4.340 0.000 0.000 0.276 90 L C -1.052 175.810 176.870 -0.012 0.000 1.213 90 L CA -1.229 53.603 54.840 -0.013 0.000 0.843 90 L CB 0.241 42.290 42.059 -0.016 0.000 1.107 90 L HN -0.037 nan 8.230 nan 0.000 0.487 91 P HA -0.112 nan 4.420 nan 0.000 0.218 91 P C 0.863 178.156 177.300 -0.011 0.000 1.149 91 P CA 1.271 64.366 63.100 -0.009 0.000 0.817 91 P CB 0.031 31.726 31.700 -0.007 0.000 0.785 92 T N -5.115 109.431 114.554 -0.013 0.000 3.200 92 T HA 0.541 4.891 4.350 0.000 0.000 0.284 92 T C 0.962 175.650 174.700 -0.022 0.000 1.009 92 T CA 0.079 62.169 62.100 -0.017 0.000 0.907 92 T CB -0.216 68.642 68.868 -0.015 0.000 1.120 92 T HN 0.314 nan 8.240 nan 0.000 0.534 93 G N 0.543 109.330 108.800 -0.022 0.000 2.552 93 G HA2 0.302 4.263 3.960 0.000 0.000 0.265 93 G HA3 0.302 4.263 3.960 0.000 0.000 0.265 93 G C 0.121 175.006 174.900 -0.027 0.000 1.234 93 G CA -0.326 44.757 45.100 -0.028 0.000 0.944 93 G HN 1.873 nan 8.290 nan 0.000 0.568 94 G N -1.706 107.075 108.800 -0.032 0.000 2.313 94 G HA2 0.560 4.520 3.960 0.000 0.000 0.296 94 G HA3 0.560 4.520 3.960 0.000 0.000 0.296 94 G C -1.207 173.677 174.900 -0.027 0.000 1.356 94 G CA 0.596 45.681 45.100 -0.025 0.000 0.833 94 G HN 1.272 nan 8.290 nan 0.000 0.552 95 D N -0.883 119.508 120.400 -0.015 0.000 2.399 95 D HA 0.410 5.051 4.640 0.000 0.000 0.241 95 D C 1.804 178.096 176.300 -0.013 0.000 1.133 95 D CA 0.868 54.862 54.000 -0.009 0.000 0.890 95 D CB 1.043 41.846 40.800 0.004 0.000 1.201 95 D HN 0.536 nan 8.370 nan 0.000 0.432 96 T N 0.113 114.661 114.554 -0.012 0.000 3.086 96 T HA 0.415 4.765 4.350 0.000 0.000 0.250 96 T C 1.217 175.918 174.700 0.001 0.000 1.074 96 T CA 0.255 62.347 62.100 -0.013 0.000 0.988 96 T CB 0.440 69.293 68.868 -0.024 0.000 0.988 96 T HN 0.563 nan 8.240 nan 0.000 0.530 97 G N 2.302 111.103 108.800 0.002 0.000 3.675 97 G HA2 -0.146 3.814 3.960 0.000 0.000 0.206 97 G HA3 -0.146 3.814 3.960 0.000 0.000 0.206 97 G C 0.624 175.524 174.900 -0.001 0.000 1.086 97 G CA 0.348 45.448 45.100 -0.000 0.000 0.894 97 G HN 0.536 nan 8.290 nan 0.000 0.412 98 D N 1.355 121.757 120.400 0.003 0.000 2.339 98 D HA 0.359 5.000 4.640 0.000 0.000 0.217 98 D C 1.844 178.153 176.300 0.016 0.000 1.050 98 D CA 1.006 55.010 54.000 0.007 0.000 0.856 98 D CB -0.225 40.581 40.800 0.009 0.000 0.922 98 D HN 1.623 nan 8.370 nan 0.000 0.518 99 G N 1.347 110.160 108.800 0.021 0.000 2.225 99 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 99 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 99 G C 0.880 175.813 174.900 0.055 0.000 0.988 99 G CA 0.498 45.617 45.100 0.031 0.000 0.625 99 G HN 0.700 nan 8.290 nan 0.000 0.527 100 I N -2.628 117.980 120.570 0.065 0.000 4.225 100 I HA 0.476 4.646 4.170 0.000 0.000 0.327 100 I C 0.042 176.298 176.117 0.232 0.000 1.422 100 I CA 0.168 61.557 61.300 0.148 0.000 1.150 100 I CB 1.095 39.150 38.000 0.091 0.000 1.192 100 I HN -0.068 nan 8.210 nan 0.000 0.440 101 T N 3.117 117.746 114.554 0.124 0.000 3.155 101 T HA 0.424 4.774 4.350 0.000 0.000 0.384 101 T C -0.331 174.382 174.700 0.021 0.000 1.351 101 T CA -0.224 61.946 62.100 0.117 0.000 1.198 101 T CB 0.655 69.573 68.868 0.084 0.000 1.106 101 T HN 0.195 nan 8.240 nan 0.000 0.564 102 M N 4.279 123.860 119.600 -0.032 0.000 2.217 102 M HA 0.541 5.021 4.480 0.000 0.000 0.354 102 M C -0.358 175.891 176.300 -0.085 0.000 1.225 102 M CA -0.561 54.696 55.300 -0.072 0.000 1.137 102 M CB 0.445 32.971 32.600 -0.124 0.000 1.576 102 M HN 0.632 nan 8.290 nan 0.000 0.461 103 M N 4.877 124.432 119.600 -0.074 0.000 2.321 103 M HA 0.701 5.181 4.480 0.000 0.000 0.315 103 M C -0.275 175.985 176.300 -0.066 0.000 1.052 103 M CA -0.503 54.748 55.300 -0.081 0.000 0.936 103 M CB 1.464 34.009 32.600 -0.091 0.000 1.639 103 M HN 0.777 nan 8.290 nan 0.000 0.433 104 G N 2.686 111.449 108.800 -0.062 0.000 2.616 104 G HA2 0.112 4.072 3.960 0.000 0.000 0.268 104 G HA3 0.112 4.072 3.960 0.000 0.000 0.268 104 G C -0.546 174.336 174.900 -0.031 0.000 1.213 104 G CA -0.711 44.362 45.100 -0.045 0.000 0.926 104 G HN 0.922 nan 8.290 nan 0.000 0.523 105 N N -0.564 118.124 118.700 -0.021 0.000 2.412 105 N HA 0.318 5.058 4.740 0.000 0.000 0.258 105 N C 1.405 176.913 175.510 -0.003 0.000 1.236 105 N CA 1.602 54.644 53.050 -0.012 0.000 0.882 105 N CB 0.376 38.859 38.487 -0.007 0.000 1.066 105 N HN 1.205 nan 8.380 nan 0.000 0.465 106 G N 1.906 110.702 108.800 -0.006 0.000 2.168 106 G HA2 -0.264 3.696 3.960 0.000 0.000 0.263 106 G HA3 -0.264 3.696 3.960 0.000 0.000 0.263 106 G C 0.967 175.864 174.900 -0.006 0.000 0.977 106 G CA 0.545 45.645 45.100 -0.001 0.000 0.659 106 G HN 0.926 nan 8.290 nan 0.000 0.533 107 G N -0.008 108.782 108.800 -0.018 0.000 2.559 107 G HA2 0.121 4.082 3.960 0.000 0.000 0.216 107 G HA3 0.121 4.082 3.960 0.000 0.000 0.216 107 G C 1.638 176.515 174.900 -0.037 0.000 1.126 107 G CA 1.383 46.466 45.100 -0.028 0.000 0.778 107 G HN 0.975 nan 8.290 nan 0.000 0.543 108 L N 0.627 121.832 121.223 -0.031 0.000 2.131 108 L HA 0.026 4.366 4.340 0.000 0.000 0.210 108 L C 2.492 179.382 176.870 0.033 0.000 1.092 108 L CA 2.319 57.157 54.840 -0.004 0.000 0.759 108 L CB -0.389 41.677 42.059 0.013 0.000 0.903 108 L HN 0.417 nan 8.230 nan 0.000 0.435 109 E N -0.213 119.991 120.200 0.007 0.000 2.085 109 E HA -0.257 4.094 4.350 0.000 0.000 0.194 109 E C 2.142 178.739 176.600 -0.006 0.000 0.994 109 E CA 2.059 58.456 56.400 -0.006 0.000 0.801 109 E CB -0.218 29.464 29.700 -0.031 0.000 0.743 109 E HN 0.679 nan 8.360 nan 0.000 0.453 110 I N 0.628 121.193 120.570 -0.008 0.000 2.286 110 I HA -0.182 3.988 4.170 0.000 0.000 0.245 110 I C 2.632 178.776 176.117 0.044 0.000 1.104 110 I CA 0.798 62.102 61.300 0.006 0.000 1.397 110 I CB -0.433 37.569 38.000 0.003 0.000 1.072 110 I HN 0.153 nan 8.210 nan 0.000 0.417 111 A N 1.283 124.121 122.820 0.029 0.000 1.908 111 A HA -0.211 4.109 4.320 0.000 0.000 0.218 111 A C 2.433 180.148 177.584 0.218 0.000 1.181 111 A CA 1.549 53.628 52.037 0.070 0.000 0.627 111 A CB -0.604 18.343 19.000 -0.089 0.000 0.818 111 A HN 0.320 nan 8.150 nan 0.000 0.445 112 R N -0.697 119.921 120.500 0.196 0.000 2.091 112 R HA -0.069 4.271 4.340 0.000 0.000 0.238 112 R C 2.031 178.373 176.300 0.069 0.000 1.136 112 R CA 1.537 57.714 56.100 0.128 0.000 0.959 112 R CB -0.529 29.808 30.300 0.063 0.000 0.856 112 R HN 0.517 nan 8.270 nan 0.000 0.437 113 L N -0.042 121.217 121.223 0.061 0.000 2.141 113 L HA -0.143 4.197 4.340 0.000 0.000 0.209 113 L C 2.648 179.627 176.870 0.183 0.000 1.094 113 L CA 0.901 55.782 54.840 0.069 0.000 0.763 113 L CB -0.378 41.679 42.059 -0.004 0.000 0.908 113 L HN 0.196 nan 8.230 nan 0.000 0.437 114 S N -0.136 115.652 115.700 0.147 0.000 2.348 114 S HA -0.189 4.281 4.470 0.000 0.000 0.221 114 S C 2.158 176.744 174.600 -0.024 0.000 1.033 114 S CA 1.371 59.527 58.200 -0.074 0.000 1.010 114 S CB -0.099 63.004 63.200 -0.163 0.000 0.891 114 S HN 0.437 nan 8.310 nan 0.000 0.442 115 A N 0.648 123.499 122.820 0.052 0.000 1.930 115 A HA 0.150 4.470 4.320 0.000 0.000 0.217 115 A C 2.325 179.904 177.584 -0.008 0.000 1.175 115 A CA 1.728 53.794 52.037 0.048 0.000 0.627 115 A CB -1.520 17.543 19.000 0.104 0.000 0.815 115 A HN 0.635 nan 8.150 nan 0.000 0.443 116 G N -0.694 108.099 108.800 -0.012 0.000 2.443 116 G HA2 0.082 4.042 3.960 0.000 0.000 0.219 116 G HA3 0.082 4.042 3.960 0.000 0.000 0.219 116 G C 1.438 176.303 174.900 -0.058 0.000 1.131 116 G CA 1.176 46.242 45.100 -0.056 0.000 0.775 116 G HN 0.669 nan 8.290 nan 0.000 0.547 117 G N 1.129 109.926 108.800 -0.006 0.000 2.402 117 G HA2 0.056 4.016 3.960 0.000 0.000 0.216 117 G HA3 0.056 4.016 3.960 0.000 0.000 0.216 117 G C 2.032 176.908 174.900 -0.041 0.000 1.162 117 G CA 1.452 46.555 45.100 0.005 0.000 0.777 117 G HN 0.578 nan 8.290 nan 0.000 0.539 118 A N 0.124 122.910 122.820 -0.055 0.000 1.902 118 A HA 0.073 4.394 4.320 0.000 0.000 0.217 118 A C 2.608 180.139 177.584 -0.089 0.000 1.181 118 A CA 1.847 53.843 52.037 -0.068 0.000 0.623 118 A CB -0.669 18.296 19.000 -0.058 0.000 0.818 118 A HN 0.250 nan 8.150 nan 0.000 0.443 119 V N 0.017 119.853 119.914 -0.130 0.000 2.343 119 V HA -0.227 3.893 4.120 0.000 0.000 0.247 119 V C 2.623 178.540 176.094 -0.294 0.000 1.051 119 V CA 2.429 64.570 62.300 -0.265 0.000 1.036 119 V CB -0.656 30.942 31.823 -0.375 0.000 0.654 119 V HN 0.734 nan 8.190 nan 0.000 0.451 120 E N 0.206 120.285 120.200 -0.201 0.000 2.106 120 E HA -0.214 4.137 4.350 0.000 0.000 0.192 120 E C 1.916 178.469 176.600 -0.079 0.000 0.984 120 E CA 1.229 57.540 56.400 -0.148 0.000 0.806 120 E CB -0.400 29.239 29.700 -0.102 0.000 0.750 120 E HN 0.386 nan 8.360 nan 0.000 0.458 121 L N 0.265 121.456 121.223 -0.054 0.000 2.056 121 L HA -0.107 4.233 4.340 0.000 0.000 0.207 121 L C 2.176 179.046 176.870 -0.001 0.000 1.078 121 L CA 2.192 57.027 54.840 -0.009 0.000 0.749 121 L CB -1.048 41.013 42.059 0.004 0.000 0.901 121 L HN 0.163 nan 8.230 nan 0.000 0.433 122 T N -0.470 114.070 114.554 -0.023 0.000 2.684 122 T HA -0.250 4.101 4.350 0.000 0.000 0.267 122 T C 1.985 176.718 174.700 0.054 0.000 1.036 122 T CA 1.682 63.789 62.100 0.012 0.000 1.148 122 T CB -0.277 68.601 68.868 0.016 0.000 0.863 122 T HN 0.331 nan 8.240 nan 0.000 0.436 123 R N 0.930 121.452 120.500 0.037 0.000 2.094 123 R HA -0.117 4.223 4.340 0.000 0.000 0.239 123 R C 2.531 178.879 176.300 0.080 0.000 1.137 123 R CA 1.612 57.785 56.100 0.121 0.000 0.943 123 R CB -0.104 30.231 30.300 0.059 0.000 0.850 123 R HN 0.338 nan 8.270 nan 0.000 0.433 124 R N -0.414 120.113 120.500 0.044 0.000 2.115 124 R HA -0.035 4.305 4.340 0.000 0.000 0.226 124 R C 2.278 178.608 176.300 0.051 0.000 1.100 124 R CA 1.133 57.260 56.100 0.044 0.000 0.980 124 R CB -0.060 30.262 30.300 0.036 0.000 0.875 124 R HN 0.131 nan 8.270 nan 0.000 0.445 125 V N 0.910 120.855 119.914 0.052 0.000 2.323 125 V HA -0.174 3.946 4.120 0.000 0.000 0.244 125 V C 2.412 178.535 176.094 0.048 0.000 1.041 125 V CA 1.928 64.261 62.300 0.054 0.000 1.025 125 V CB -0.557 31.299 31.823 0.055 0.000 0.656 125 V HN 0.367 nan 8.190 nan 0.000 0.451 126 A N 0.703 123.554 122.820 0.051 0.000 1.933 126 A HA -0.236 4.084 4.320 0.000 0.000 0.218 126 A C 2.429 180.037 177.584 0.040 0.000 1.175 126 A CA 2.453 54.517 52.037 0.045 0.000 0.628 126 A CB -0.980 18.055 19.000 0.058 0.000 0.814 126 A HN 0.644 nan 8.150 nan 0.000 0.444 127 T N -4.054 110.529 114.554 0.048 0.000 3.072 127 T HA 0.307 4.657 4.350 0.000 0.000 0.266 127 T C 1.511 176.230 174.700 0.033 0.000 1.127 127 T CA 1.270 63.393 62.100 0.039 0.000 1.107 127 T CB -0.323 68.571 68.868 0.044 0.000 0.910 127 T HN 1.779 nan 8.240 nan 0.000 0.513 128 G N 1.073 109.894 108.800 0.036 0.000 2.157 128 G HA2 -0.313 3.647 3.960 0.000 0.000 0.248 128 G HA3 -0.313 3.647 3.960 0.000 0.000 0.248 128 G C 0.556 175.479 174.900 0.037 0.000 0.979 128 G CA 0.597 45.718 45.100 0.035 0.000 0.650 128 G HN 0.623 nan 8.290 nan 0.000 0.529 129 E N -0.572 119.652 120.200 0.039 0.000 2.106 129 E HA 0.111 4.461 4.350 0.000 0.000 0.192 129 E C 1.000 177.628 176.600 0.046 0.000 0.984 129 E CA 0.581 57.005 56.400 0.039 0.000 0.806 129 E CB -0.021 29.701 29.700 0.038 0.000 0.750 129 E HN 0.624 nan 8.360 nan 0.000 0.458 130 L N -0.381 120.874 121.223 0.053 0.000 2.323 130 L HA 0.258 4.598 4.340 0.000 0.000 0.265 130 L C 0.952 177.863 176.870 0.067 0.000 1.012 130 L CA -0.685 54.194 54.840 0.065 0.000 0.820 130 L CB 2.107 44.212 42.059 0.076 0.000 1.334 130 L HN -0.163 nan 8.230 nan 0.000 0.427 131 S N 0.469 116.215 115.700 0.076 0.000 2.425 131 S HA 0.344 4.814 4.470 0.000 0.000 0.225 131 S C 0.350 175.008 174.600 0.097 0.000 1.024 131 S CA 0.741 58.988 58.200 0.079 0.000 0.951 131 S CB 0.258 63.507 63.200 0.080 0.000 0.796 131 S HN 0.734 nan 8.310 nan 0.000 0.498 132 A N -0.724 122.167 122.820 0.119 0.000 2.483 132 A HA 0.738 5.058 4.320 0.000 0.000 0.294 132 A C -0.553 177.141 177.584 0.183 0.000 1.077 132 A CA -0.190 51.941 52.037 0.158 0.000 0.633 132 A CB 0.451 19.570 19.000 0.199 0.000 1.318 132 A HN 0.595 nan 8.150 nan 0.000 0.455 133 G N -1.802 107.143 108.800 0.242 0.000 2.451 133 G HA2 0.573 4.533 3.960 0.000 0.000 0.292 133 G HA3 0.573 4.533 3.960 0.000 0.000 0.292 133 G C -2.291 172.823 174.900 0.357 0.000 1.427 133 G CA -0.317 44.945 45.100 0.269 0.000 0.792 133 G HN 1.556 nan 8.290 nan 0.000 0.498 134 Y N 0.513 120.966 120.300 0.254 0.000 2.338 134 Y HA 0.617 5.167 4.550 -0.000 0.000 0.333 134 Y C 0.037 176.033 175.900 0.160 0.000 0.968 134 Y CA -0.599 57.664 58.100 0.272 0.000 1.123 134 Y CB 1.974 40.614 38.460 0.300 0.000 1.165 134 Y HN 0.841 nan 8.280 nan 0.000 0.452 135 A N 6.235 129.057 122.820 0.003 0.000 2.280 135 A HA 0.440 4.760 4.320 0.000 0.000 0.320 135 A C -1.320 176.308 177.584 0.074 0.000 1.366 135 A CA -0.599 51.447 52.037 0.014 0.000 0.938 135 A CB 0.255 19.222 19.000 -0.056 0.000 1.157 135 A HN 0.675 nan 8.150 nan 0.000 0.536 136 L N 5.734 127.069 121.223 0.188 0.000 2.466 136 L HA 0.374 4.714 4.340 0.000 0.000 0.248 136 L C 0.198 177.132 176.870 0.107 0.000 1.240 136 L CA -0.107 54.907 54.840 0.289 0.000 1.180 136 L CB -0.350 41.829 42.059 0.199 0.000 1.413 136 L HN 0.551 nan 8.230 nan 0.000 0.406 137 V N 1.308 121.104 119.914 -0.196 0.000 2.997 137 V HA 0.744 4.864 4.120 0.000 0.000 0.311 137 V C -0.153 175.581 176.094 -0.599 0.000 1.066 137 V CA -0.633 61.162 62.300 -0.842 0.000 1.039 137 V CB 1.749 33.208 31.823 -0.608 0.000 1.081 137 V HN 0.759 nan 8.190 nan 0.000 0.467 138 N N 1.463 119.650 118.700 -0.854 0.000 2.516 138 N HA 0.547 5.287 4.740 0.000 0.000 0.268 138 N C -3.237 172.107 175.510 -0.275 0.000 1.096 138 N CA -1.109 51.744 53.050 -0.328 0.000 0.954 138 N CB 2.837 41.251 38.487 -0.122 0.000 1.676 138 N HN 0.628 nan 8.380 nan 0.000 0.490 139 P HA 0.325 nan 4.420 nan 0.000 0.274 139 P C -2.709 174.565 177.300 -0.043 0.000 1.246 139 P CA -0.865 62.199 63.100 -0.059 0.000 0.795 139 P CB 0.245 31.923 31.700 -0.037 0.000 1.006 140 P HA 0.156 nan 4.420 nan 0.000 0.279 140 P C 0.439 177.795 177.300 0.094 0.000 1.282 140 P CA 0.093 63.224 63.100 0.053 0.000 0.788 140 P CB 0.520 32.295 31.700 0.125 0.000 1.139 141 G N -1.454 107.411 108.800 0.108 0.000 2.659 141 G HA2 -0.036 3.924 3.960 0.000 0.000 0.197 141 G HA3 -0.036 3.924 3.960 0.000 0.000 0.197 141 G C 1.143 176.166 174.900 0.207 0.000 1.099 141 G CA 0.355 45.549 45.100 0.156 0.000 0.759 141 G HN 0.727 nan 8.290 nan 0.000 0.715 142 H N -1.394 117.653 119.070 -0.039 0.000 2.521 142 H HA 0.116 4.672 4.556 0.000 0.000 0.286 142 H C 1.819 177.092 175.328 -0.092 0.000 1.034 142 H CA 0.932 56.929 56.048 -0.086 0.000 1.278 142 H CB -0.105 29.567 29.762 -0.150 0.000 1.386 142 H HN 0.282 nan 8.280 nan 0.000 0.567 143 H N 0.907 119.941 119.070 -0.059 0.000 2.551 143 H HA 0.348 4.904 4.556 0.000 0.000 0.266 143 H C 0.682 175.990 175.328 -0.034 0.000 0.964 143 H CA 0.498 56.467 56.048 -0.131 0.000 1.180 143 H CB 0.065 29.802 29.762 -0.042 0.000 1.408 143 H HN 0.511 nan 8.280 nan 0.000 0.563 144 A N 4.004 126.910 122.820 0.145 0.000 2.395 144 A HA 0.284 4.604 4.320 0.000 0.000 0.286 144 A C -1.986 175.676 177.584 0.130 0.000 1.193 144 A CA -1.132 50.972 52.037 0.112 0.000 0.852 144 A CB 0.430 19.529 19.000 0.166 0.000 1.118 144 A HN 0.074 nan 8.150 nan 0.000 0.524 145 P HA 0.160 nan 4.420 nan 0.000 0.302 145 P C 0.518 177.847 177.300 0.048 0.000 1.307 145 P CA -0.169 62.940 63.100 0.015 0.000 0.754 145 P CB 0.311 31.986 31.700 -0.040 0.000 1.298 146 H N -0.275 118.752 119.070 -0.072 0.000 2.387 146 H HA -0.115 4.441 4.556 0.000 0.000 0.299 146 H C 0.926 176.310 175.328 0.094 0.000 1.099 146 H CA 2.035 58.052 56.048 -0.052 0.000 1.315 146 H CB -0.875 28.805 29.762 -0.136 0.000 1.380 146 H HN 0.287 nan 8.280 nan 0.000 0.513 147 N N 0.713 119.042 118.700 -0.619 0.000 2.282 147 N HA 0.372 5.112 4.740 0.000 0.000 0.240 147 N C -0.565 174.697 175.510 -0.414 0.000 1.182 147 N CA 0.169 52.925 53.050 -0.491 0.000 0.874 147 N CB 0.922 38.997 38.487 -0.686 0.000 1.126 147 N HN 0.590 nan 8.380 nan 0.000 0.516 148 A N -0.688 121.765 122.820 -0.612 0.000 2.610 148 A HA 0.835 5.155 4.320 0.000 0.000 0.291 148 A C -1.403 175.794 177.584 -0.646 0.000 1.086 148 A CA -0.531 51.182 52.037 -0.540 0.000 0.677 148 A CB 0.729 19.588 19.000 -0.236 0.000 1.278 148 A HN 0.357 nan 8.150 nan 0.000 0.414 149 A N 0.639 123.317 122.820 -0.237 0.000 2.293 149 A HA 0.880 5.200 4.320 0.000 0.000 0.302 149 A C -0.222 177.337 177.584 -0.042 0.000 1.119 149 A CA -0.071 51.926 52.037 -0.066 0.000 0.823 149 A CB 0.764 19.785 19.000 0.036 0.000 1.097 149 A HN 1.876 nan 8.150 nan 0.000 0.491 150 M N 1.244 120.846 119.600 0.004 0.000 2.490 150 M HA 0.499 4.979 4.480 0.000 0.000 0.286 150 M C 0.242 176.559 176.300 0.027 0.000 1.185 150 M CA 0.802 56.114 55.300 0.019 0.000 0.912 150 M CB 1.715 34.327 32.600 0.020 0.000 1.744 150 M HN 2.101 nan 8.290 nan 0.000 0.494 151 G N 3.136 111.858 108.800 -0.130 0.000 2.366 151 G HA2 -0.272 3.688 3.960 0.000 0.000 0.299 151 G HA3 -0.272 3.688 3.960 0.000 0.000 0.299 151 G C 0.136 174.848 174.900 -0.314 0.000 1.020 151 G CA 0.796 45.573 45.100 -0.538 0.000 1.026 151 G HN 1.305 nan 8.290 nan 0.000 0.512 152 F N -4.658 115.290 119.950 -0.002 0.000 2.656 152 F HA -0.308 4.219 4.527 0.000 0.000 0.381 152 F C 1.294 177.117 175.800 0.039 0.000 0.603 152 F CA 0.191 58.205 58.000 0.025 0.000 1.335 152 F CB -2.005 37.047 39.000 0.086 0.000 1.836 152 F HN 0.530 nan 8.300 nan 0.000 0.290 153 C N 2.095 121.517 119.300 0.204 0.000 2.295 153 C HA 0.487 4.947 4.460 0.000 0.000 0.331 153 C C 1.781 176.785 174.990 0.024 0.000 1.280 153 C CA -0.833 58.266 59.018 0.135 0.000 1.746 153 C CB 0.747 28.599 27.740 0.186 0.000 2.328 153 C HN 0.228 nan 8.230 nan 0.000 0.521 154 I N 0.904 121.423 120.570 -0.086 0.000 2.512 154 I HA 0.247 4.417 4.170 0.000 0.000 0.247 154 I C 0.270 176.125 176.117 -0.436 0.000 1.094 154 I CA 1.158 62.258 61.300 -0.333 0.000 1.427 154 I CB -0.594 37.066 38.000 -0.567 0.000 1.149 154 I HN 0.386 nan 8.210 nan 0.000 0.438 155 F N 0.576 120.543 119.950 0.027 0.000 2.561 155 F HA 0.386 4.913 4.527 -0.000 0.000 0.321 155 F C 0.737 176.665 175.800 0.213 0.000 1.065 155 F CA -1.606 56.413 58.000 0.032 0.000 0.934 155 F CB 0.383 39.412 39.000 0.049 0.000 1.215 155 F HN -0.124 nan 8.300 nan 0.000 0.471 156 N N 2.581 121.709 118.700 0.715 0.000 2.555 156 N HA 0.025 4.765 4.740 0.000 0.000 0.244 156 N C 0.582 176.260 175.510 0.281 0.000 1.114 156 N CA 0.175 53.458 53.050 0.389 0.000 0.963 156 N CB 0.068 38.731 38.487 0.293 0.000 1.276 156 N HN 0.546 nan 8.380 nan 0.000 0.510 157 N N 1.189 120.008 118.700 0.197 0.000 2.061 157 N HA -0.186 4.554 4.740 0.000 0.000 0.193 157 N C 1.626 177.185 175.510 0.082 0.000 1.030 157 N CA 2.067 55.187 53.050 0.116 0.000 0.856 157 N CB -0.493 38.016 38.487 0.037 0.000 1.023 157 N HN 0.626 nan 8.380 nan 0.000 0.424 158 T N -1.735 112.859 114.554 0.067 0.000 2.867 158 T HA 0.027 4.377 4.350 0.000 0.000 0.268 158 T C 2.114 176.890 174.700 0.127 0.000 1.057 158 T CA 1.286 63.411 62.100 0.042 0.000 1.136 158 T CB -0.383 68.478 68.868 -0.011 0.000 0.874 158 T HN 0.016 nan 8.240 nan 0.000 0.466 159 S N 0.996 116.836 115.700 0.233 0.000 2.406 159 S HA 0.019 4.489 4.470 0.000 0.000 0.228 159 S C 2.211 177.006 174.600 0.325 0.000 1.020 159 S CA 0.835 59.289 58.200 0.424 0.000 0.965 159 S CB -0.484 62.952 63.200 0.393 0.000 0.798 159 S HN 0.397 nan 8.310 nan 0.000 0.488 160 V N 2.180 122.206 119.914 0.187 0.000 2.295 160 V HA -0.214 3.906 4.120 0.000 0.000 0.246 160 V C 2.681 178.866 176.094 0.152 0.000 1.049 160 V CA 1.760 64.145 62.300 0.142 0.000 1.024 160 V CB -1.229 30.651 31.823 0.096 0.000 0.648 160 V HN 0.538 nan 8.190 nan 0.000 0.447 161 A N 0.032 122.918 122.820 0.109 0.000 1.877 161 A HA -0.129 4.191 4.320 0.000 0.000 0.216 161 A C 2.435 180.097 177.584 0.130 0.000 1.186 161 A CA 2.185 54.273 52.037 0.085 0.000 0.620 161 A CB -0.860 18.149 19.000 0.014 0.000 0.822 161 A HN 0.576 nan 8.150 nan 0.000 0.443 162 A N -0.520 122.359 122.820 0.098 0.000 1.902 162 A HA 0.116 4.436 4.320 0.000 0.000 0.217 162 A C 2.419 180.056 177.584 0.088 0.000 1.181 162 A CA 1.936 53.972 52.037 -0.001 0.000 0.623 162 A CB -1.411 17.456 19.000 -0.222 0.000 0.818 162 A HN 0.769 nan 8.150 nan 0.000 0.443 163 G N -1.797 107.186 108.800 0.304 0.000 2.442 163 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 163 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 163 G C 1.546 176.565 174.900 0.198 0.000 1.141 163 G CA 1.292 46.598 45.100 0.343 0.000 0.763 163 G HN 0.615 nan 8.290 nan 0.000 0.554 164 Y N 1.800 122.143 120.300 0.071 0.000 2.200 164 Y HA 0.109 4.659 4.550 0.000 0.000 0.290 164 Y C 2.897 178.806 175.900 0.016 0.000 1.137 164 Y CA 1.387 59.507 58.100 0.033 0.000 1.163 164 Y CB -0.268 38.205 38.460 0.020 0.000 0.988 164 Y HN 0.233 nan 8.280 nan 0.000 0.518 165 A N 0.754 123.656 122.820 0.137 0.000 1.933 165 A HA -0.146 4.174 4.320 0.000 0.000 0.218 165 A C 2.282 179.827 177.584 -0.064 0.000 1.175 165 A CA 1.463 53.514 52.037 0.024 0.000 0.628 165 A CB -0.455 18.572 19.000 0.044 0.000 0.814 165 A HN 0.389 nan 8.150 nan 0.000 0.444 166 R N -0.618 119.858 120.500 -0.041 0.000 2.057 166 R HA -0.001 4.339 4.340 0.000 0.000 0.229 166 R C 2.418 178.681 176.300 -0.062 0.000 1.136 166 R CA 1.567 57.641 56.100 -0.044 0.000 0.952 166 R CB -0.962 29.339 30.300 0.001 0.000 0.848 166 R HN 0.505 nan 8.270 nan 0.000 0.430 167 A N 0.043 122.823 122.820 -0.065 0.000 1.975 167 A HA 0.022 4.342 4.320 0.000 0.000 0.215 167 A C 2.262 179.752 177.584 -0.157 0.000 1.170 167 A CA 0.801 52.792 52.037 -0.076 0.000 0.656 167 A CB 0.042 19.023 19.000 -0.031 0.000 0.821 167 A HN 0.105 nan 8.150 nan 0.000 0.449 168 V N -0.491 119.236 119.914 -0.311 0.000 2.672 168 V HA 0.038 4.158 4.120 0.000 0.000 0.242 168 V C 2.161 178.054 176.094 -0.335 0.000 1.059 168 V CA 1.013 63.059 62.300 -0.422 0.000 1.081 168 V CB -0.401 30.890 31.823 -0.887 0.000 0.752 168 V HN 0.484 nan 8.190 nan 0.000 0.472 169 L N 0.604 121.627 121.223 -0.332 0.000 2.446 169 L HA 0.323 4.663 4.340 0.000 0.000 0.219 169 L C 1.810 178.616 176.870 -0.107 0.000 1.116 169 L CA 0.971 55.706 54.840 -0.175 0.000 0.844 169 L CB -0.501 41.493 42.059 -0.108 0.000 0.970 169 L HN 0.567 nan 8.230 nan 0.000 0.457 170 G N 0.356 109.091 108.800 -0.108 0.000 2.148 170 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 170 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 170 G C 0.350 175.212 174.900 -0.064 0.000 0.981 170 G CA -0.064 44.990 45.100 -0.075 0.000 0.670 170 G HN 0.232 nan 8.290 nan 0.000 0.528 171 M N -0.053 119.508 119.600 -0.065 0.000 2.249 171 M HA 0.238 4.718 4.480 0.000 0.000 0.340 171 M C 1.387 177.646 176.300 -0.069 0.000 1.166 171 M CA 0.716 55.980 55.300 -0.061 0.000 1.115 171 M CB 0.415 32.982 32.600 -0.056 0.000 1.606 171 M HN 0.290 nan 8.290 nan 0.000 0.448 172 E N 1.463 121.616 120.200 -0.077 0.000 2.276 172 E HA 0.097 4.447 4.350 0.000 0.000 0.193 172 E C -0.177 176.360 176.600 -0.105 0.000 0.983 172 E CA 0.623 56.971 56.400 -0.087 0.000 0.861 172 E CB 0.595 30.238 29.700 -0.095 0.000 0.817 172 E HN 0.512 nan 8.360 nan 0.000 0.485 173 R N 0.588 121.022 120.500 -0.111 0.000 2.533 173 R HA 0.475 4.816 4.340 0.000 0.000 0.288 173 R C -1.519 174.777 176.300 -0.006 0.000 1.039 173 R CA -0.451 55.595 56.100 -0.090 0.000 0.909 173 R CB 2.618 32.708 30.300 -0.350 0.000 1.195 173 R HN -0.152 nan 8.270 nan 0.000 0.438 174 V N 1.461 121.405 119.914 0.049 0.000 2.789 174 V HA 0.762 4.882 4.120 0.000 0.000 0.311 174 V C -0.578 175.512 176.094 -0.007 0.000 1.073 174 V CA -0.909 61.374 62.300 -0.028 0.000 0.921 174 V CB 2.021 33.740 31.823 -0.173 0.000 1.009 174 V HN 0.900 nan 8.190 nan 0.000 0.426 175 A N 4.844 127.645 122.820 -0.033 0.000 2.330 175 A HA 0.909 5.229 4.320 0.000 0.000 0.327 175 A C -0.846 176.640 177.584 -0.164 0.000 1.155 175 A CA -0.524 51.439 52.037 -0.124 0.000 0.803 175 A CB 0.802 19.769 19.000 -0.054 0.000 1.208 175 A HN 0.761 nan 8.150 nan 0.000 0.477 176 I N 2.879 123.337 120.570 -0.187 0.000 2.355 176 I HA 0.276 4.446 4.170 0.000 0.000 0.288 176 I C -0.894 175.150 176.117 -0.121 0.000 0.999 176 I CA -0.602 60.602 61.300 -0.161 0.000 1.163 176 I CB 1.600 39.522 38.000 -0.130 0.000 1.316 176 I HN 0.552 nan 8.210 nan 0.000 0.454 177 L N 7.068 128.197 121.223 -0.156 0.000 2.280 177 L HA 0.509 4.849 4.340 0.000 0.000 0.287 177 L C -0.750 176.025 176.870 -0.159 0.000 1.023 177 L CA 0.084 54.861 54.840 -0.106 0.000 0.819 177 L CB 1.113 43.113 42.059 -0.099 0.000 1.212 177 L HN 0.423 nan 8.230 nan 0.000 0.420 178 D N 4.584 124.972 120.400 -0.020 0.000 2.441 178 D HA 0.213 4.853 4.640 0.000 0.000 0.231 178 D C -0.254 176.148 176.300 0.170 0.000 1.073 178 D CA -0.466 53.526 54.000 -0.014 0.000 0.850 178 D CB 0.663 41.525 40.800 0.104 0.000 1.062 178 D HN 0.608 nan 8.370 nan 0.000 0.524 179 W N 3.485 124.851 121.300 0.110 0.000 3.123 179 W HA 0.359 5.019 4.660 0.000 0.000 0.383 179 W C 0.104 176.728 176.519 0.176 0.000 1.102 179 W CA -1.002 56.466 57.345 0.205 0.000 1.865 179 W CB -0.833 28.784 29.460 0.261 0.000 1.111 179 W HN 0.144 nan 8.180 nan 0.000 0.621 180 D N 1.471 122.051 120.400 0.300 0.000 2.478 180 D HA -0.140 4.500 4.640 0.000 0.000 0.234 180 D C 1.238 177.747 176.300 0.348 0.000 1.154 180 D CA 0.440 54.569 54.000 0.216 0.000 0.874 180 D CB 2.206 42.937 40.800 -0.115 0.000 1.198 180 D HN 0.061 nan 8.370 nan 0.000 0.455 181 V N 3.872 123.932 119.914 0.243 0.000 2.970 181 V HA -0.117 4.003 4.120 0.000 0.000 0.260 181 V C 0.251 176.412 176.094 0.113 0.000 1.100 181 V CA 1.259 63.658 62.300 0.166 0.000 1.122 181 V CB -0.576 31.257 31.823 0.018 0.000 0.721 181 V HN 0.483 nan 8.190 nan 0.000 0.483 182 H N -0.858 118.519 119.070 0.513 0.000 2.483 182 H HA 0.430 4.986 4.556 0.000 0.000 0.338 182 H C -0.082 175.519 175.328 0.454 0.000 1.152 182 H CA -0.541 55.820 56.048 0.522 0.000 1.264 182 H CB 0.618 30.773 29.762 0.655 0.000 1.510 182 H HN 0.368 nan 8.280 nan 0.000 0.530 183 H N 0.884 120.074 119.070 0.199 0.000 2.964 183 H HA 0.102 4.658 4.556 0.000 0.000 0.328 183 H C 0.709 175.994 175.328 -0.072 0.000 1.030 183 H CA -0.274 55.646 56.048 -0.215 0.000 1.445 183 H CB 0.530 29.971 29.762 -0.535 0.000 1.449 183 H HN 0.864 nan 8.280 nan 0.000 0.581 184 G N 4.992 113.554 108.800 -0.397 0.000 3.102 184 G HA2 -0.110 3.851 3.960 0.000 0.000 0.264 184 G HA3 -0.110 3.851 3.960 0.000 0.000 0.264 184 G C 1.010 175.506 174.900 -0.674 0.000 0.788 184 G CA -0.053 44.783 45.100 -0.440 0.000 2.029 184 G HN 0.902 nan 8.290 nan 0.000 0.608 185 N N 0.965 119.199 118.700 -0.776 0.000 2.309 185 N HA -0.101 4.639 4.740 0.000 0.000 0.182 185 N C 2.002 177.408 175.510 -0.173 0.000 1.018 185 N CA 1.295 54.059 53.050 -0.477 0.000 0.876 185 N CB -0.340 38.031 38.487 -0.193 0.000 0.972 185 N HN 0.288 nan 8.380 nan 0.000 0.434 186 G N 0.636 109.368 108.800 -0.114 0.000 2.394 186 G HA2 -0.172 3.788 3.960 0.000 0.000 0.214 186 G HA3 -0.172 3.788 3.960 0.000 0.000 0.214 186 G C 1.500 176.408 174.900 0.014 0.000 1.176 186 G CA 1.331 46.421 45.100 -0.017 0.000 0.786 186 G HN 0.389 nan 8.290 nan 0.000 0.533 187 T N 0.505 115.087 114.554 0.048 0.000 2.746 187 T HA -0.166 4.184 4.350 0.000 0.000 0.267 187 T C 2.260 177.099 174.700 0.232 0.000 1.039 187 T CA 1.594 63.799 62.100 0.175 0.000 1.142 187 T CB -0.260 68.721 68.868 0.188 0.000 0.866 187 T HN 0.436 nan 8.240 nan 0.000 0.444 188 Q N 0.910 120.802 119.800 0.154 0.000 2.061 188 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 188 Q C 2.107 178.275 176.000 0.280 0.000 0.984 188 Q CA 2.201 58.166 55.803 0.269 0.000 0.846 188 Q CB -0.281 28.600 28.738 0.239 0.000 0.902 188 Q HN 0.563 nan 8.270 nan 0.000 0.421 189 D N -0.247 120.204 120.400 0.085 0.000 2.104 189 D HA -0.186 4.454 4.640 0.000 0.000 0.194 189 D C 1.815 178.115 176.300 -0.001 0.000 0.994 189 D CA 1.826 55.828 54.000 0.003 0.000 0.830 189 D CB -0.179 40.600 40.800 -0.034 0.000 0.959 189 D HN 0.414 nan 8.370 nan 0.000 0.452 190 I N -0.934 119.561 120.570 -0.125 0.000 2.226 190 I HA -0.177 3.993 4.170 0.000 0.000 0.245 190 I C 1.101 176.866 176.117 -0.587 0.000 1.100 190 I CA 0.947 61.969 61.300 -0.464 0.000 1.374 190 I CB -0.219 37.356 38.000 -0.708 0.000 1.057 190 I HN 0.227 nan 8.210 nan 0.000 0.413 191 W N -0.469 120.890 121.300 0.099 0.000 3.223 191 W HA 0.108 4.768 4.660 -0.000 0.000 0.389 191 W C 1.889 178.502 176.519 0.155 0.000 1.118 191 W CA -0.745 56.654 57.345 0.090 0.000 1.902 191 W CB -0.423 29.068 29.460 0.052 0.000 1.094 191 W HN 0.182 nan 8.180 nan 0.000 0.666 192 W N 1.837 123.200 121.300 0.104 0.000 2.305 192 W HA -0.271 4.389 4.660 0.000 0.000 0.308 192 W C 0.762 177.347 176.519 0.110 0.000 1.226 192 W CA 1.596 58.999 57.345 0.097 0.000 1.253 192 W CB -0.131 29.352 29.460 0.039 0.000 1.146 192 W HN -0.109 nan 8.180 nan 0.000 0.507 193 N N 0.444 119.240 118.700 0.160 0.000 2.268 193 N HA -0.019 4.721 4.740 0.000 0.000 0.204 193 N C -0.973 174.574 175.510 0.063 0.000 1.124 193 N CA 0.573 53.652 53.050 0.047 0.000 0.838 193 N CB 0.040 38.582 38.487 0.092 0.000 0.994 193 N HN 0.017 nan 8.380 nan 0.000 0.489 194 D N 0.722 121.194 120.400 0.120 0.000 2.505 194 D HA 0.207 4.847 4.640 0.000 0.000 0.250 194 D C -1.919 174.413 176.300 0.053 0.000 1.164 194 D CA -1.847 52.234 54.000 0.136 0.000 0.870 194 D CB 2.487 43.487 40.800 0.333 0.000 1.160 194 D HN -0.042 nan 8.370 nan 0.000 0.549 195 P HA -0.025 nan 4.420 nan 0.000 0.241 195 P C 0.901 178.062 177.300 -0.233 0.000 1.191 195 P CA 0.300 63.157 63.100 -0.406 0.000 0.771 195 P CB 0.247 31.545 31.700 -0.670 0.000 0.929 196 S N -1.330 114.318 115.700 -0.087 0.000 2.562 196 S HA 0.093 4.563 4.470 0.000 0.000 0.221 196 S C 0.679 175.230 174.600 -0.081 0.000 0.975 196 S CA -0.051 58.121 58.200 -0.047 0.000 0.918 196 S CB -0.596 62.575 63.200 -0.050 0.000 0.772 196 S HN -0.076 nan 8.310 nan 0.000 0.531 197 V N 2.609 122.412 119.914 -0.186 0.000 2.419 197 V HA 0.457 4.577 4.120 0.000 0.000 0.287 197 V C -0.700 175.197 176.094 -0.328 0.000 1.017 197 V CA -0.865 61.182 62.300 -0.422 0.000 0.844 197 V CB 1.379 32.490 31.823 -1.188 0.000 1.011 197 V HN 0.458 nan 8.190 nan 0.000 0.429 198 L N 6.127 127.059 121.223 -0.484 0.000 2.313 198 L HA 0.624 4.964 4.340 0.000 0.000 0.282 198 L C 0.609 177.307 176.870 -0.287 0.000 1.092 198 L CA 0.769 55.284 54.840 -0.541 0.000 0.831 198 L CB 1.205 42.569 42.059 -1.158 0.000 1.159 198 L HN 0.835 nan 8.230 nan 0.000 0.442 199 T N 3.955 118.436 114.554 -0.121 0.000 2.770 199 T HA 0.697 5.047 4.350 0.000 0.000 0.283 199 T C -0.182 174.532 174.700 0.023 0.000 0.988 199 T CA -0.474 61.617 62.100 -0.015 0.000 0.957 199 T CB 0.583 69.524 68.868 0.121 0.000 0.930 199 T HN 0.462 nan 8.240 nan 0.000 0.443 200 I N 2.445 123.032 120.570 0.029 0.000 2.465 200 I HA 0.542 4.712 4.170 0.000 0.000 0.291 200 I C -0.045 176.160 176.117 0.148 0.000 1.014 200 I CA -0.792 60.551 61.300 0.073 0.000 1.093 200 I CB 2.247 40.267 38.000 0.035 0.000 1.267 200 I HN 0.675 nan 8.210 nan 0.000 0.431 201 S N 6.630 122.473 115.700 0.239 0.000 2.605 201 S HA 0.668 5.138 4.470 0.000 0.000 0.308 201 S C -1.036 173.781 174.600 0.361 0.000 1.113 201 S CA -0.495 57.930 58.200 0.375 0.000 1.049 201 S CB 0.715 64.239 63.200 0.541 0.000 1.001 201 S HN 0.342 nan 8.310 nan 0.000 0.480 202 L N 7.131 128.539 121.223 0.309 0.000 2.307 202 L HA 0.674 5.014 4.340 0.000 0.000 0.282 202 L C 0.344 177.371 176.870 0.262 0.000 1.051 202 L CA 0.035 54.952 54.840 0.128 0.000 0.804 202 L CB 1.094 43.268 42.059 0.192 0.000 1.197 202 L HN 0.795 nan 8.230 nan 0.000 0.431 203 H N 1.371 120.551 119.070 0.183 0.000 3.003 203 H HA 0.232 4.788 4.556 0.000 0.000 0.327 203 H C -1.245 174.181 175.328 0.163 0.000 1.353 203 H CA -0.982 55.203 56.048 0.228 0.000 1.142 203 H CB 1.257 31.188 29.762 0.281 0.000 1.864 203 H HN 0.558 nan 8.280 nan 0.000 0.529 204 Q N 1.497 121.479 119.800 0.303 0.000 2.289 204 Q HA 0.007 4.347 4.340 0.000 0.000 0.273 204 Q C -0.564 175.611 176.000 0.292 0.000 1.029 204 Q CA -0.249 55.691 55.803 0.228 0.000 0.896 204 Q CB 0.361 29.216 28.738 0.195 0.000 1.182 204 Q HN 0.572 nan 8.270 nan 0.000 0.385 205 H N 5.352 124.476 119.070 0.091 0.000 3.004 205 H HA -0.003 4.553 4.556 0.000 0.000 0.316 205 H C 0.361 175.699 175.328 0.016 0.000 1.014 205 H CA 0.978 57.051 56.048 0.043 0.000 1.454 205 H CB -0.028 29.706 29.762 -0.047 0.000 1.472 205 H HN 0.814 nan 8.280 nan 0.000 0.571 206 L N 3.096 124.137 121.223 -0.304 0.000 4.232 206 L HA -0.405 3.935 4.340 0.000 0.000 0.415 206 L C 1.910 178.735 176.870 -0.076 0.000 1.168 206 L CA 0.671 55.315 54.840 -0.327 0.000 0.966 206 L CB -2.326 39.413 42.059 -0.533 0.000 2.052 206 L HN 0.644 nan 8.230 nan 0.000 0.887 207 C N -0.124 119.226 119.300 0.083 0.000 2.508 207 C HA 0.097 4.557 4.460 0.000 0.000 0.280 207 C C 0.966 176.142 174.990 0.310 0.000 1.262 207 C CA 1.272 60.420 59.018 0.217 0.000 1.706 207 C CB 0.006 27.931 27.740 0.310 0.000 2.078 207 C HN 0.490 nan 8.230 nan 0.000 0.480 208 F N 0.794 120.861 119.950 0.194 0.000 2.622 208 F HA 0.544 5.071 4.527 0.000 0.000 0.318 208 F C -2.752 173.049 175.800 0.001 0.000 1.135 208 F CA -1.969 56.026 58.000 -0.009 0.000 1.015 208 F CB 1.010 39.872 39.000 -0.230 0.000 1.275 208 F HN -0.006 nan 8.300 nan 0.000 0.457 209 P HA 0.197 nan 4.420 nan 0.000 0.271 209 P C -2.273 174.743 177.300 -0.474 0.000 1.233 209 P CA -0.961 61.468 63.100 -1.118 0.000 0.789 209 P CB 0.368 31.607 31.700 -0.770 0.000 0.951 210 P HA -0.047 nan 4.420 nan 0.000 0.245 210 P C -0.306 176.895 177.300 -0.166 0.000 1.212 210 P CA 1.119 64.098 63.100 -0.203 0.000 0.774 210 P CB -0.015 31.602 31.700 -0.138 0.000 0.999 211 D N -1.835 118.468 120.400 -0.162 0.000 2.636 211 D HA 0.110 4.750 4.640 0.000 0.000 0.270 211 D C 0.161 176.482 176.300 0.035 0.000 1.430 211 D CA -0.443 53.539 54.000 -0.030 0.000 0.796 211 D CB -0.179 40.593 40.800 -0.047 0.000 1.117 211 D HN 0.039 nan 8.370 nan 0.000 0.480 212 S N -2.144 113.509 115.700 -0.078 0.000 2.671 212 S HA 0.666 5.136 4.470 0.000 0.000 0.277 212 S C 0.795 175.166 174.600 -0.382 0.000 1.165 212 S CA -0.320 57.842 58.200 -0.063 0.000 0.822 212 S CB 1.581 64.791 63.200 0.018 0.000 1.150 212 S HN 0.751 nan 8.310 nan 0.000 0.479 213 G N -0.614 107.801 108.800 -0.643 0.000 2.159 213 G HA2 -0.174 3.787 3.960 0.000 0.000 0.227 213 G HA3 -0.174 3.787 3.960 0.000 0.000 0.227 213 G C -0.264 174.588 174.900 -0.080 0.000 0.986 213 G CA -0.100 44.467 45.100 -0.888 0.000 0.651 213 G HN 0.794 nan 8.290 nan 0.000 0.523 214 Y N 1.500 121.815 120.300 0.024 0.000 2.457 214 Y HA 0.314 4.864 4.550 0.000 0.000 0.341 214 Y C 2.117 178.053 175.900 0.061 0.000 1.240 214 Y CA 0.730 58.884 58.100 0.090 0.000 1.437 214 Y CB 0.976 39.489 38.460 0.087 0.000 1.328 214 Y HN 0.264 nan 8.280 nan 0.000 0.588 215 S N -1.711 114.103 115.700 0.191 0.000 2.555 215 S HA -0.139 4.331 4.470 0.000 0.000 0.230 215 S C 1.516 176.184 174.600 0.113 0.000 0.978 215 S CA 0.867 59.133 58.200 0.110 0.000 0.934 215 S CB -0.924 62.299 63.200 0.038 0.000 0.766 215 S HN 0.864 nan 8.310 nan 0.000 0.533 216 T N -0.566 114.079 114.554 0.152 0.000 3.072 216 T HA 0.091 4.442 4.350 0.000 0.000 0.266 216 T C 0.370 175.170 174.700 0.167 0.000 1.127 216 T CA 0.199 62.371 62.100 0.120 0.000 1.107 216 T CB -0.558 68.360 68.868 0.082 0.000 0.910 216 T HN 0.523 nan 8.240 nan 0.000 0.513 217 E N 1.436 121.777 120.200 0.235 0.000 1.941 217 E HA 0.269 4.619 4.350 0.000 0.000 0.275 217 E C 0.563 177.320 176.600 0.261 0.000 1.113 217 E CA -0.252 56.387 56.400 0.399 0.000 0.878 217 E CB 0.467 30.420 29.700 0.422 0.000 1.070 217 E HN 0.414 nan 8.360 nan 0.000 0.399 218 R N 2.162 122.678 120.500 0.027 0.000 2.508 218 R HA 0.215 4.555 4.340 0.000 0.000 0.300 218 R C 0.559 176.514 176.300 -0.575 0.000 0.970 218 R CA 0.046 55.985 56.100 -0.268 0.000 1.102 218 R CB 1.045 31.119 30.300 -0.375 0.000 1.246 218 R HN 0.645 nan 8.270 nan 0.000 0.539 219 G N 0.890 109.001 108.800 -1.148 0.000 2.757 219 G HA2 0.028 3.988 3.960 0.000 0.000 0.638 219 G HA3 0.028 3.988 3.960 0.000 0.000 0.638 219 G C -1.049 173.178 174.900 -1.122 0.000 1.344 219 G CA -0.539 43.590 45.100 -1.619 0.000 0.855 219 G HN 0.382 nan 8.290 nan 0.000 0.537 220 A N -0.983 121.324 122.820 -0.855 0.000 2.556 220 A HA 1.177 5.498 4.320 0.000 0.000 0.294 220 A C 1.352 178.878 177.584 -0.096 0.000 1.091 220 A CA 1.336 53.206 52.037 -0.279 0.000 0.704 220 A CB 1.061 20.004 19.000 -0.095 0.000 1.300 220 A HN 3.056 nan 8.150 nan 0.000 0.406 221 G N 1.423 110.220 108.800 -0.006 0.000 2.611 221 G HA2 -0.393 3.567 3.960 0.000 0.000 0.301 221 G HA3 -0.393 3.567 3.960 0.000 0.000 0.301 221 G C 0.762 175.690 174.900 0.046 0.000 1.233 221 G CA 1.080 46.189 45.100 0.016 0.000 0.993 221 G HN 1.127 nan 8.290 nan 0.000 0.553 222 N N 1.296 120.019 118.700 0.038 0.000 2.364 222 N HA 0.070 4.810 4.740 0.000 0.000 0.183 222 N C 2.136 177.694 175.510 0.079 0.000 1.022 222 N CA 1.054 54.133 53.050 0.049 0.000 0.883 222 N CB -0.208 38.288 38.487 0.014 0.000 0.965 222 N HN 0.734 nan 8.380 nan 0.000 0.438 223 G N -0.540 108.292 108.800 0.055 0.000 2.920 223 G HA2 -0.133 3.827 3.960 0.000 0.000 0.208 223 G HA3 -0.133 3.827 3.960 0.000 0.000 0.208 223 G C 0.043 175.003 174.900 0.101 0.000 1.159 223 G CA -0.169 44.976 45.100 0.074 0.000 0.784 223 G HN 0.371 nan 8.290 nan 0.000 0.535 224 H N -0.130 118.933 119.070 -0.011 0.000 3.004 224 H HA 0.387 4.943 4.556 0.000 0.000 0.316 224 H C 1.458 176.730 175.328 -0.093 0.000 1.014 224 H CA 1.168 57.155 56.048 -0.101 0.000 1.454 224 H CB 0.443 30.150 29.762 -0.091 0.000 1.472 224 H HN 0.179 nan 8.280 nan 0.000 0.571 225 G N 3.608 111.980 108.800 -0.714 0.000 2.176 225 G HA2 -0.290 3.670 3.960 0.000 0.000 0.232 225 G HA3 -0.290 3.670 3.960 0.000 0.000 0.232 225 G C 0.197 174.622 174.900 -0.792 0.000 0.986 225 G CA 0.342 45.019 45.100 -0.705 0.000 0.643 225 G HN 0.628 nan 8.290 nan 0.000 0.522 226 Y N 1.149 121.320 120.300 -0.216 0.000 2.636 226 Y HA 0.417 4.967 4.550 0.000 0.000 0.260 226 Y C 0.897 176.696 175.900 -0.170 0.000 1.177 226 Y CA -0.355 57.636 58.100 -0.181 0.000 1.209 226 Y CB 0.535 38.921 38.460 -0.123 0.000 1.166 226 Y HN 0.298 nan 8.280 nan 0.000 0.531 227 N N 1.107 119.745 118.700 -0.103 0.000 2.346 227 N HA 0.451 5.191 4.740 0.000 0.000 0.289 227 N C -1.678 173.817 175.510 -0.024 0.000 1.027 227 N CA -0.262 52.784 53.050 -0.007 0.000 0.864 227 N CB 1.295 39.827 38.487 0.076 0.000 1.370 227 N HN 0.092 nan 8.380 nan 0.000 0.481 228 I N 2.408 122.993 120.570 0.025 0.000 2.439 228 I HA 0.289 4.459 4.170 0.000 0.000 0.285 228 I C -0.588 175.597 176.117 0.114 0.000 1.021 228 I CA -0.656 60.661 61.300 0.027 0.000 1.091 228 I CB 1.673 39.660 38.000 -0.021 0.000 1.242 228 I HN 0.383 nan 8.210 nan 0.000 0.439 229 N N 4.841 123.624 118.700 0.139 0.000 2.430 229 N HA 0.530 5.271 4.740 0.000 0.000 0.292 229 N C -0.975 174.558 175.510 0.038 0.000 1.051 229 N CA -0.627 52.547 53.050 0.207 0.000 0.917 229 N CB 2.524 41.172 38.487 0.267 0.000 1.164 229 N HN 0.205 nan 8.380 nan 0.000 0.484 230 V N 3.516 123.374 119.914 -0.094 0.000 2.266 230 V HA 0.303 4.423 4.120 0.000 0.000 0.266 230 V C -2.224 173.591 176.094 -0.465 0.000 1.036 230 V CA -1.485 60.691 62.300 -0.207 0.000 0.828 230 V CB 0.424 32.163 31.823 -0.141 0.000 1.081 230 V HN 0.602 nan 8.190 nan 0.000 0.449 231 P HA 0.390 nan 4.420 nan 0.000 0.276 231 P C -0.757 176.383 177.300 -0.267 0.000 1.230 231 P CA -0.024 62.821 63.100 -0.424 0.000 0.776 231 P CB 1.625 33.199 31.700 -0.211 0.000 0.888 232 L N 4.690 125.809 121.223 -0.173 0.000 2.341 232 L HA 0.548 4.888 4.340 0.000 0.000 0.267 232 L C -2.232 174.630 176.870 -0.014 0.000 1.009 232 L CA -2.770 51.994 54.840 -0.127 0.000 0.819 232 L CB 2.583 44.522 42.059 -0.200 0.000 1.323 232 L HN 0.181 nan 8.230 nan 0.000 0.425 233 P HA 0.232 nan 4.420 nan 0.000 0.274 233 P C -2.673 174.662 177.300 0.059 0.000 1.231 233 P CA -1.745 61.378 63.100 0.038 0.000 0.790 233 P CB -0.109 31.600 31.700 0.015 0.000 0.951 234 P HA 0.024 nan 4.420 nan 0.000 0.265 234 P C 1.079 178.418 177.300 0.064 0.000 1.187 234 P CA 1.485 64.633 63.100 0.081 0.000 0.766 234 P CB -0.173 31.571 31.700 0.074 0.000 0.820 235 G N 1.056 109.899 108.800 0.072 0.000 2.195 235 G HA2 -0.228 3.732 3.960 0.000 0.000 0.246 235 G HA3 -0.228 3.732 3.960 0.000 0.000 0.246 235 G C 0.319 175.253 174.900 0.056 0.000 0.984 235 G CA -0.071 45.061 45.100 0.053 0.000 0.633 235 G HN 0.580 nan 8.290 nan 0.000 0.525 236 S N 0.764 116.513 115.700 0.083 0.000 2.549 236 S HA 0.560 5.030 4.470 0.000 0.000 0.283 236 S C 0.977 175.673 174.600 0.160 0.000 1.320 236 S CA 0.520 58.781 58.200 0.101 0.000 1.058 236 S CB 1.458 64.711 63.200 0.090 0.000 0.882 236 S HN 1.286 nan 8.310 nan 0.000 0.498 237 G N 1.779 110.651 108.800 0.121 0.000 3.252 237 G HA2 0.259 4.219 3.960 0.000 0.000 0.181 237 G HA3 0.259 4.219 3.960 0.000 0.000 0.181 237 G C 0.502 175.454 174.900 0.087 0.000 1.187 237 G CA -0.542 44.601 45.100 0.072 0.000 0.886 237 G HN 0.529 nan 8.290 nan 0.000 0.615 238 N N 0.371 119.058 118.700 -0.021 0.000 2.094 238 N HA -0.154 4.586 4.740 0.000 0.000 0.191 238 N C 2.316 177.846 175.510 0.033 0.000 1.023 238 N CA 1.591 54.619 53.050 -0.036 0.000 0.857 238 N CB -0.482 37.969 38.487 -0.060 0.000 1.013 238 N HN 0.465 nan 8.380 nan 0.000 0.426 239 A N 0.808 123.646 122.820 0.030 0.000 1.898 239 A HA 0.101 4.421 4.320 0.000 0.000 0.216 239 A C 2.381 179.997 177.584 0.054 0.000 1.181 239 A CA 1.823 53.879 52.037 0.032 0.000 0.620 239 A CB -0.821 18.180 19.000 0.002 0.000 0.819 239 A HN 0.316 nan 8.150 nan 0.000 0.442 240 A N -1.335 121.513 122.820 0.046 0.000 1.877 240 A HA -0.084 4.236 4.320 0.000 0.000 0.216 240 A C 2.098 179.686 177.584 0.007 0.000 1.186 240 A CA 1.589 53.631 52.037 0.008 0.000 0.620 240 A CB -0.871 18.109 19.000 -0.033 0.000 0.822 240 A HN 0.557 nan 8.150 nan 0.000 0.443 241 Y N 0.065 120.347 120.300 -0.029 0.000 2.181 241 Y HA -0.145 4.405 4.550 0.000 0.000 0.288 241 Y C 2.230 178.118 175.900 -0.021 0.000 1.146 241 Y CA 1.694 59.767 58.100 -0.046 0.000 1.164 241 Y CB -0.339 38.036 38.460 -0.142 0.000 0.982 241 Y HN 0.186 nan 8.280 nan 0.000 0.515 242 L N -1.497 119.800 121.223 0.123 0.000 2.141 242 L HA -0.223 4.117 4.340 0.000 0.000 0.209 242 L C 2.264 179.184 176.870 0.084 0.000 1.094 242 L CA 1.440 56.329 54.840 0.082 0.000 0.763 242 L CB -0.551 41.543 42.059 0.059 0.000 0.908 242 L HN 0.275 nan 8.230 nan 0.000 0.437 243 H N 0.070 119.138 119.070 -0.003 0.000 2.353 243 H HA -0.115 4.441 4.556 0.000 0.000 0.300 243 H C 2.174 177.485 175.328 -0.027 0.000 1.090 243 H CA 1.505 57.543 56.048 -0.017 0.000 1.327 243 H CB 0.182 29.927 29.762 -0.029 0.000 1.383 243 H HN 0.281 nan 8.280 nan 0.000 0.508 244 A N 0.515 123.356 122.820 0.035 0.000 1.902 244 A HA -0.160 4.161 4.320 0.000 0.000 0.217 244 A C 2.289 179.858 177.584 -0.024 0.000 1.181 244 A CA 1.652 53.666 52.037 -0.038 0.000 0.623 244 A CB -0.439 18.499 19.000 -0.102 0.000 0.818 244 A HN 0.382 nan 8.150 nan 0.000 0.443 245 M N -0.045 119.568 119.600 0.021 0.000 2.080 245 M HA -0.148 4.333 4.480 0.000 0.000 0.260 245 M C 1.440 177.748 176.300 0.012 0.000 1.068 245 M CA 1.661 56.993 55.300 0.054 0.000 1.109 245 M CB -1.518 31.137 32.600 0.090 0.000 1.342 245 M HN 0.319 nan 8.290 nan 0.000 0.405 246 D N -0.378 120.004 120.400 -0.030 0.000 2.194 246 D HA -0.089 4.551 4.640 0.000 0.000 0.204 246 D C 2.235 178.476 176.300 -0.099 0.000 0.964 246 D CA 0.860 54.828 54.000 -0.053 0.000 0.846 246 D CB -0.007 40.753 40.800 -0.067 0.000 0.962 246 D HN 0.331 nan 8.370 nan 0.000 0.490 247 Q N -0.396 119.301 119.800 -0.172 0.000 2.339 247 Q HA 0.096 4.436 4.340 0.000 0.000 0.205 247 Q C 1.785 177.726 176.000 -0.098 0.000 0.925 247 Q CA 0.405 56.097 55.803 -0.185 0.000 0.898 247 Q CB 1.080 29.616 28.738 -0.337 0.000 1.013 247 Q HN 0.213 nan 8.270 nan 0.000 0.504 248 V N -1.278 118.596 119.914 -0.068 0.000 3.102 248 V HA 0.004 4.124 4.120 0.000 0.000 0.225 248 V C 2.024 178.112 176.094 -0.010 0.000 1.301 248 V CA 0.388 62.666 62.300 -0.038 0.000 1.308 248 V CB 0.118 31.918 31.823 -0.038 0.000 1.129 248 V HN -0.093 nan 8.190 nan 0.000 0.502 249 V N 0.761 120.682 119.914 0.012 0.000 2.270 249 V HA -0.191 3.929 4.120 0.000 0.000 0.245 249 V C 2.332 178.452 176.094 0.044 0.000 1.043 249 V CA 2.151 64.476 62.300 0.042 0.000 1.014 249 V CB -0.526 31.352 31.823 0.091 0.000 0.645 249 V HN 0.400 nan 8.190 nan 0.000 0.447 250 L N -0.183 121.067 121.223 0.045 0.000 2.046 250 L HA -0.099 4.241 4.340 0.000 0.000 0.208 250 L C 0.017 176.908 176.870 0.035 0.000 1.077 250 L CA 1.623 56.492 54.840 0.048 0.000 0.747 250 L CB -1.932 40.157 42.059 0.049 0.000 0.896 250 L HN 0.361 nan 8.230 nan 0.000 0.432 251 P HA -0.151 nan 4.420 nan 0.000 0.217 251 P C 1.473 178.788 177.300 0.025 0.000 1.150 251 P CA 1.665 64.774 63.100 0.014 0.000 0.832 251 P CB 0.014 31.711 31.700 -0.005 0.000 0.787 252 A N -0.517 122.315 122.820 0.020 0.000 1.877 252 A HA -0.155 4.165 4.320 0.000 0.000 0.216 252 A C 2.194 179.820 177.584 0.071 0.000 1.186 252 A CA 1.423 53.474 52.037 0.023 0.000 0.620 252 A CB -1.637 17.358 19.000 -0.007 0.000 0.822 252 A HN 0.111 nan 8.150 nan 0.000 0.443 253 L N -1.110 120.154 121.223 0.069 0.000 2.056 253 L HA -0.169 4.171 4.340 0.000 0.000 0.207 253 L C 2.853 179.792 176.870 0.116 0.000 1.078 253 L CA 1.369 56.272 54.840 0.105 0.000 0.749 253 L CB -0.481 41.623 42.059 0.074 0.000 0.901 253 L HN 0.338 nan 8.230 nan 0.000 0.433 254 R N -0.044 120.502 120.500 0.077 0.000 2.096 254 R HA -0.111 4.229 4.340 0.000 0.000 0.235 254 R C 2.413 178.751 176.300 0.063 0.000 1.127 254 R CA 1.268 57.403 56.100 0.059 0.000 0.968 254 R CB -0.444 29.880 30.300 0.040 0.000 0.861 254 R HN 0.352 nan 8.270 nan 0.000 0.440 255 A N 0.129 122.996 122.820 0.078 0.000 1.930 255 A HA -0.189 4.131 4.320 0.000 0.000 0.217 255 A C 1.890 179.553 177.584 0.131 0.000 1.175 255 A CA 0.988 53.075 52.037 0.083 0.000 0.627 255 A CB -0.478 18.566 19.000 0.072 0.000 0.815 255 A HN 0.422 nan 8.150 nan 0.000 0.443 256 Y N -0.522 119.798 120.300 0.034 0.000 2.365 256 Y HA 0.071 4.621 4.550 0.000 0.000 0.293 256 Y C 0.372 176.288 175.900 0.026 0.000 1.119 256 Y CA 0.943 59.077 58.100 0.057 0.000 1.203 256 Y CB 0.378 38.877 38.460 0.066 0.000 1.026 256 Y HN 0.331 nan 8.280 nan 0.000 0.549 257 R N -0.075 120.416 120.500 -0.016 0.000 3.209 257 R HA -0.139 4.201 4.340 0.000 0.000 0.252 257 R C -2.841 173.358 176.300 -0.169 0.000 0.958 257 R CA 0.581 56.626 56.100 -0.092 0.000 0.651 257 R CB -2.782 27.443 30.300 -0.124 0.000 1.142 257 R HN 0.355 nan 8.270 nan 0.000 0.441 258 P HA 0.063 nan 4.420 nan 0.000 0.274 258 P C 0.257 177.539 177.300 -0.030 0.000 1.246 258 P CA -0.129 62.979 63.100 0.013 0.000 0.795 258 P CB 0.614 32.419 31.700 0.176 0.000 1.006 259 Q N -0.370 119.405 119.800 -0.041 0.000 2.408 259 Q HA 0.210 4.550 4.340 0.000 0.000 0.205 259 Q C 0.100 176.089 176.000 -0.019 0.000 0.919 259 Q CA 0.405 56.187 55.803 -0.036 0.000 0.932 259 Q CB 0.150 28.858 28.738 -0.049 0.000 1.058 259 Q HN 0.265 nan 8.270 nan 0.000 0.517 260 L N -0.311 120.903 121.223 -0.016 0.000 2.549 260 L HA 0.466 4.806 4.340 0.000 0.000 0.259 260 L C -1.970 174.877 176.870 -0.038 0.000 0.934 260 L CA -0.548 54.278 54.840 -0.024 0.000 0.865 260 L CB 1.815 43.857 42.059 -0.029 0.000 1.352 260 L HN -0.106 nan 8.230 nan 0.000 0.410 261 I N 5.513 126.046 120.570 -0.061 0.000 2.406 261 I HA 0.483 4.653 4.170 0.000 0.000 0.290 261 I C -0.641 175.364 176.117 -0.186 0.000 0.999 261 I CA -0.436 60.799 61.300 -0.109 0.000 1.124 261 I CB 1.714 39.653 38.000 -0.101 0.000 1.289 261 I HN 0.477 nan 8.210 nan 0.000 0.441 262 I N 6.697 127.139 120.570 -0.214 0.000 2.354 262 I HA 0.348 4.518 4.170 0.000 0.000 0.292 262 I C -0.496 175.392 176.117 -0.382 0.000 0.989 262 I CA -0.865 60.271 61.300 -0.274 0.000 1.188 262 I CB 1.823 39.708 38.000 -0.192 0.000 1.342 262 I HN 0.172 nan 8.210 nan 0.000 0.457 263 V N 5.150 124.711 119.914 -0.589 0.000 2.370 263 V HA 0.369 4.489 4.120 0.000 0.000 0.279 263 V C 0.789 176.521 176.094 -0.604 0.000 1.029 263 V CA -0.636 61.219 62.300 -0.740 0.000 0.870 263 V CB 1.356 32.409 31.823 -1.283 0.000 0.984 263 V HN 0.918 nan 8.190 nan 0.000 0.451 264 G N 2.597 111.096 108.800 -0.501 0.000 2.508 264 G HA2 0.252 4.212 3.960 0.000 0.000 0.301 264 G HA3 0.252 4.212 3.960 0.000 0.000 0.301 264 G C 0.304 174.834 174.900 -0.617 0.000 0.965 264 G CA -0.046 44.796 45.100 -0.430 0.000 1.339 264 G HN 0.660 nan 8.290 nan 0.000 0.455 265 S N 2.466 117.826 115.700 -0.566 0.000 2.835 265 S HA 0.557 5.027 4.470 0.000 0.000 0.286 265 S C 0.923 175.201 174.600 -0.537 0.000 1.194 265 S CA -0.314 57.524 58.200 -0.602 0.000 1.031 265 S CB -0.312 62.793 63.200 -0.158 0.000 1.216 265 S HN 0.757 nan 8.310 nan 0.000 0.502 266 G N 1.910 110.457 108.800 -0.421 0.000 2.462 266 G HA2 0.598 4.558 3.960 0.000 0.000 0.319 266 G HA3 0.598 4.558 3.960 0.000 0.000 0.319 266 G C -0.360 174.161 174.900 -0.632 0.000 1.171 266 G CA -0.685 44.178 45.100 -0.395 0.000 0.920 266 G HN 0.675 nan 8.290 nan 0.000 0.499 267 F N -0.522 119.394 119.950 -0.058 0.000 2.735 267 F HA 0.171 4.698 4.527 0.000 0.000 0.308 267 F C 1.081 176.903 175.800 0.036 0.000 1.112 267 F CA -0.576 57.246 58.000 -0.297 0.000 1.235 267 F CB 1.025 39.675 39.000 -0.583 0.000 1.027 267 F HN 0.418 nan 8.300 nan 0.000 0.528 268 D N 0.166 120.706 120.400 0.234 0.000 2.349 268 D HA 0.012 4.652 4.640 0.000 0.000 0.224 268 D C 1.688 178.162 176.300 0.289 0.000 1.029 268 D CA 0.387 54.577 54.000 0.316 0.000 0.879 268 D CB -0.207 40.872 40.800 0.465 0.000 0.906 268 D HN 0.205 nan 8.370 nan 0.000 0.528 269 A N 0.429 123.439 122.820 0.318 0.000 2.238 269 A HA 0.147 4.467 4.320 0.000 0.000 0.208 269 A C 1.265 178.967 177.584 0.196 0.000 1.177 269 A CA 0.025 52.179 52.037 0.196 0.000 0.804 269 A CB -0.551 18.426 19.000 -0.038 0.000 0.823 269 A HN 0.275 nan 8.150 nan 0.000 0.482 270 S N -1.212 114.717 115.700 0.382 0.000 2.573 270 S HA 0.159 4.629 4.470 0.000 0.000 0.277 270 S C 1.054 175.800 174.600 0.244 0.000 1.346 270 S CA 0.331 58.764 58.200 0.387 0.000 1.034 270 S CB 0.335 63.836 63.200 0.502 0.000 0.879 270 S HN 0.364 nan 8.310 nan 0.000 0.528 271 M N 2.442 122.161 119.600 0.197 0.000 2.260 271 M HA 0.043 4.523 4.480 0.000 0.000 0.261 271 M C 0.967 177.320 176.300 0.089 0.000 1.066 271 M CA 1.768 57.121 55.300 0.088 0.000 1.082 271 M CB -0.565 32.037 32.600 0.003 0.000 1.388 271 M HN 0.779 nan 8.290 nan 0.000 0.419 272 L N -0.921 120.386 121.223 0.140 0.000 2.910 272 L HA 0.234 4.574 4.340 0.000 0.000 0.252 272 L C 0.156 177.141 176.870 0.193 0.000 1.195 272 L CA -0.431 54.482 54.840 0.122 0.000 1.003 272 L CB -0.330 41.763 42.059 0.056 0.000 1.328 272 L HN 0.086 nan 8.230 nan 0.000 0.540 273 D N 1.883 122.417 120.400 0.224 0.000 2.304 273 D HA 0.125 4.765 4.640 0.000 0.000 0.250 273 D C -1.454 174.986 176.300 0.234 0.000 1.107 273 D CA -1.363 52.798 54.000 0.268 0.000 0.885 273 D CB 2.276 43.266 40.800 0.316 0.000 1.192 273 D HN -0.022 nan 8.370 nan 0.000 0.436 274 P HA 0.001 nan 4.420 nan 0.000 0.225 274 P C 1.252 178.653 177.300 0.168 0.000 1.156 274 P CA 0.416 63.621 63.100 0.175 0.000 0.787 274 P CB 0.525 32.315 31.700 0.150 0.000 0.802 275 L N -1.453 119.909 121.223 0.231 0.000 2.653 275 L HA 0.440 4.780 4.340 0.000 0.000 0.231 275 L C 0.887 177.964 176.870 0.344 0.000 1.153 275 L CA -0.263 54.716 54.840 0.231 0.000 0.933 275 L CB -0.001 42.132 42.059 0.124 0.000 1.175 275 L HN -0.044 nan 8.230 nan 0.000 0.473 276 A N -0.603 122.372 122.820 0.259 0.000 2.581 276 A HA 0.679 4.999 4.320 0.000 0.000 0.290 276 A C -0.474 177.207 177.584 0.162 0.000 1.119 276 A CA -0.658 51.501 52.037 0.203 0.000 0.670 276 A CB 1.088 20.170 19.000 0.137 0.000 1.280 276 A HN 0.026 nan 8.150 nan 0.000 0.425 277 R N 0.059 120.642 120.500 0.139 0.000 2.652 277 R HA 0.288 4.628 4.340 0.000 0.000 0.372 277 R C -0.391 175.974 176.300 0.108 0.000 1.104 277 R CA -0.125 56.042 56.100 0.113 0.000 1.072 277 R CB 0.136 30.494 30.300 0.097 0.000 1.367 277 R HN 0.677 nan 8.270 nan 0.000 0.577 278 M N -0.189 119.486 119.600 0.126 0.000 2.513 278 M HA 0.429 4.909 4.480 0.000 0.000 0.291 278 M C 1.001 177.347 176.300 0.077 0.000 1.190 278 M CA -0.303 55.071 55.300 0.122 0.000 0.960 278 M CB 0.822 33.523 32.600 0.169 0.000 1.517 278 M HN -0.066 nan 8.290 nan 0.000 0.499 279 M N 0.306 119.929 119.600 0.039 0.000 2.603 279 M HA 0.212 4.692 4.480 0.000 0.000 0.380 279 M C -0.604 175.661 176.300 -0.058 0.000 1.158 279 M CA -0.158 55.144 55.300 0.003 0.000 0.921 279 M CB 0.641 33.242 32.600 0.001 0.000 1.417 279 M HN 0.236 nan 8.290 nan 0.000 0.523 280 V N 1.836 121.655 119.914 -0.158 0.000 2.655 280 V HA 0.137 4.257 4.120 0.000 0.000 0.300 280 V C 0.902 176.911 176.094 -0.142 0.000 1.044 280 V CA 0.138 62.216 62.300 -0.371 0.000 1.095 280 V CB 0.618 31.868 31.823 -0.955 0.000 0.952 280 V HN 0.529 nan 8.190 nan 0.000 0.485 281 T N 1.615 116.104 114.554 -0.109 0.000 2.938 281 T HA 0.658 5.008 4.350 0.000 0.000 0.285 281 T C 1.233 176.031 174.700 0.164 0.000 1.028 281 T CA -0.127 62.078 62.100 0.173 0.000 1.005 281 T CB 1.782 70.737 68.868 0.145 0.000 1.157 281 T HN 0.716 nan 8.240 nan 0.000 0.550 282 A N 0.310 123.301 122.820 0.284 0.000 1.948 282 A HA -0.134 4.186 4.320 0.000 0.000 0.220 282 A C 1.954 179.621 177.584 0.138 0.000 1.177 282 A CA 2.416 54.548 52.037 0.159 0.000 0.636 282 A CB -1.434 17.600 19.000 0.057 0.000 0.815 282 A HN 1.002 nan 8.150 nan 0.000 0.449 283 D N -0.943 119.541 120.400 0.139 0.000 2.144 283 D HA -0.009 4.631 4.640 0.000 0.000 0.200 283 D C 1.970 178.275 176.300 0.009 0.000 0.978 283 D CA 1.515 55.568 54.000 0.088 0.000 0.833 283 D CB -0.433 40.449 40.800 0.136 0.000 0.961 283 D HN 0.302 nan 8.370 nan 0.000 0.470 284 G N -0.583 108.168 108.800 -0.081 0.000 2.446 284 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 284 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 284 G C 1.375 176.098 174.900 -0.294 0.000 1.168 284 G CA 0.679 45.636 45.100 -0.237 0.000 0.771 284 G HN 0.266 nan 8.290 nan 0.000 0.551 285 F N 0.741 120.602 119.950 -0.147 0.000 2.126 285 F HA 0.024 4.551 4.527 0.000 0.000 0.299 285 F C 2.702 178.449 175.800 -0.088 0.000 1.096 285 F CA 1.363 59.254 58.000 -0.182 0.000 1.255 285 F CB -0.476 38.501 39.000 -0.039 0.000 0.997 285 F HN 0.029 nan 8.300 nan 0.000 0.479 286 R N 0.230 120.808 120.500 0.130 0.000 2.096 286 R HA -0.205 4.136 4.340 0.000 0.000 0.240 286 R C 2.249 178.594 176.300 0.075 0.000 1.139 286 R CA 1.710 57.864 56.100 0.090 0.000 0.952 286 R CB -0.196 30.138 30.300 0.057 0.000 0.854 286 R HN 0.213 nan 8.270 nan 0.000 0.436 287 Q N -0.034 119.786 119.800 0.033 0.000 2.119 287 Q HA -0.134 4.206 4.340 0.000 0.000 0.201 287 Q C 2.119 178.147 176.000 0.048 0.000 0.972 287 Q CA 1.558 57.382 55.803 0.035 0.000 0.847 287 Q CB -0.188 28.557 28.738 0.012 0.000 0.903 287 Q HN 0.476 nan 8.270 nan 0.000 0.433 288 M N 0.020 119.610 119.600 -0.018 0.000 2.086 288 M HA -0.131 4.349 4.480 0.000 0.000 0.261 288 M C 2.305 178.732 176.300 0.212 0.000 1.067 288 M CA 1.674 56.956 55.300 -0.030 0.000 1.116 288 M CB -0.454 31.882 32.600 -0.440 0.000 1.348 288 M HN 0.170 nan 8.290 nan 0.000 0.407 289 A N 0.417 123.412 122.820 0.293 0.000 1.877 289 A HA -0.215 4.105 4.320 0.000 0.000 0.216 289 A C 2.108 179.922 177.584 0.384 0.000 1.186 289 A CA 2.128 54.498 52.037 0.557 0.000 0.620 289 A CB -0.673 18.567 19.000 0.400 0.000 0.822 289 A HN 0.400 nan 8.150 nan 0.000 0.443 290 R N -0.156 120.482 120.500 0.230 0.000 2.083 290 R HA -0.107 4.233 4.340 0.000 0.000 0.237 290 R C 2.267 178.672 176.300 0.176 0.000 1.137 290 R CA 2.061 58.264 56.100 0.172 0.000 0.951 290 R CB -0.486 29.880 30.300 0.111 0.000 0.851 290 R HN 0.526 nan 8.270 nan 0.000 0.434 291 R N -0.989 119.613 120.500 0.169 0.000 2.091 291 R HA -0.075 4.265 4.340 0.000 0.000 0.238 291 R C 2.150 178.560 176.300 0.185 0.000 1.136 291 R CA 2.140 58.331 56.100 0.152 0.000 0.959 291 R CB -0.349 30.030 30.300 0.132 0.000 0.856 291 R HN 0.326 nan 8.270 nan 0.000 0.437 292 T N 0.789 115.505 114.554 0.270 0.000 2.857 292 T HA -0.028 4.322 4.350 0.000 0.000 0.266 292 T C 1.848 176.683 174.700 0.225 0.000 1.048 292 T CA 1.007 63.264 62.100 0.263 0.000 1.139 292 T CB -0.082 69.007 68.868 0.368 0.000 0.874 292 T HN 0.130 nan 8.240 nan 0.000 0.455 293 I N 1.496 122.240 120.570 0.289 0.000 2.226 293 I HA -0.157 4.013 4.170 0.000 0.000 0.245 293 I C 2.269 178.483 176.117 0.161 0.000 1.100 293 I CA 1.139 62.588 61.300 0.248 0.000 1.374 293 I CB -0.361 37.808 38.000 0.281 0.000 1.057 293 I HN 0.092 nan 8.210 nan 0.000 0.413 294 D N 0.134 120.620 120.400 0.144 0.000 2.144 294 D HA -0.197 4.443 4.640 0.000 0.000 0.199 294 D C 2.208 178.562 176.300 0.089 0.000 0.984 294 D CA 1.108 55.170 54.000 0.103 0.000 0.834 294 D CB -0.548 40.307 40.800 0.091 0.000 0.955 294 D HN 0.396 nan 8.370 nan 0.000 0.465 295 C N 1.031 120.390 119.300 0.097 0.000 2.432 295 C HA -0.037 4.423 4.460 0.000 0.000 0.277 295 C C 2.890 177.921 174.990 0.069 0.000 1.249 295 C CA 1.397 60.462 59.018 0.079 0.000 1.725 295 C CB -1.048 26.743 27.740 0.084 0.000 2.028 295 C HN 0.339 nan 8.230 nan 0.000 0.477 296 A N 0.399 123.265 122.820 0.077 0.000 1.908 296 A HA 0.056 4.376 4.320 0.000 0.000 0.218 296 A C 2.487 180.106 177.584 0.058 0.000 1.181 296 A CA 2.334 54.408 52.037 0.061 0.000 0.627 296 A CB -1.196 17.844 19.000 0.066 0.000 0.818 296 A HN 0.896 nan 8.150 nan 0.000 0.445 297 A N -0.238 122.624 122.820 0.069 0.000 1.940 297 A HA -0.209 4.111 4.320 0.000 0.000 0.219 297 A C 1.865 179.476 177.584 0.046 0.000 1.176 297 A CA 2.257 54.329 52.037 0.059 0.000 0.631 297 A CB -0.585 18.454 19.000 0.065 0.000 0.814 297 A HN 0.559 nan 8.150 nan 0.000 0.446 298 D N -0.218 120.209 120.400 0.046 0.000 2.162 298 D HA -0.070 4.570 4.640 0.000 0.000 0.203 298 D C 1.711 178.029 176.300 0.029 0.000 0.967 298 D CA 1.532 55.554 54.000 0.036 0.000 0.840 298 D CB -0.133 40.690 40.800 0.038 0.000 0.972 298 D HN 0.589 nan 8.370 nan 0.000 0.482 299 I N -2.187 118.402 120.570 0.030 0.000 4.139 299 I HA 0.229 4.400 4.170 0.000 0.000 0.320 299 I C 0.604 176.729 176.117 0.013 0.000 1.290 299 I CA -0.018 61.294 61.300 0.021 0.000 1.253 299 I CB 0.422 38.438 38.000 0.026 0.000 1.122 299 I HN 0.163 nan 8.210 nan 0.000 0.421 300 C N -0.287 119.024 119.300 0.019 0.000 3.214 300 C HA 0.471 4.931 4.460 0.000 0.000 0.261 300 C C 0.116 175.117 174.990 0.018 0.000 2.279 300 C CA -0.853 58.171 59.018 0.011 0.000 1.606 300 C CB -1.039 26.705 27.740 0.007 0.000 3.251 300 C HN 0.533 nan 8.230 nan 0.000 0.443 301 D N 1.160 121.573 120.400 0.022 0.000 2.837 301 D HA -0.177 4.463 4.640 0.000 0.000 0.230 301 D C 1.432 177.755 176.300 0.038 0.000 1.152 301 D CA 1.969 55.986 54.000 0.027 0.000 0.736 301 D CB -1.465 39.347 40.800 0.020 0.000 1.084 301 D HN 1.660 nan 8.370 nan 0.000 0.429 302 G N 0.210 109.038 108.800 0.046 0.000 2.162 302 G HA2 -0.393 3.567 3.960 0.000 0.000 0.260 302 G HA3 -0.393 3.567 3.960 0.000 0.000 0.260 302 G C 0.315 175.254 174.900 0.065 0.000 0.976 302 G CA 0.383 45.520 45.100 0.063 0.000 0.655 302 G HN 0.483 nan 8.290 nan 0.000 0.533 303 R N 0.036 120.562 120.500 0.044 0.000 2.351 303 R HA 0.557 4.897 4.340 0.000 0.000 0.321 303 R C -0.078 176.235 176.300 0.022 0.000 1.182 303 R CA 0.110 56.232 56.100 0.037 0.000 1.011 303 R CB 0.347 30.661 30.300 0.022 0.000 1.048 303 R HN 0.467 nan 8.270 nan 0.000 0.490 304 I N 2.189 122.784 120.570 0.041 0.000 2.607 304 I HA 0.322 4.492 4.170 0.000 0.000 0.290 304 I C -1.366 174.765 176.117 0.022 0.000 1.129 304 I CA -0.967 60.328 61.300 -0.008 0.000 1.042 304 I CB 2.137 40.149 38.000 0.019 0.000 1.242 304 I HN 0.156 nan 8.210 nan 0.000 0.421 305 V N 7.535 127.385 119.914 -0.106 0.000 2.525 305 V HA 0.448 4.568 4.120 0.000 0.000 0.299 305 V C -0.794 175.161 176.094 -0.232 0.000 1.034 305 V CA -0.457 61.815 62.300 -0.047 0.000 0.863 305 V CB 1.596 33.388 31.823 -0.053 0.000 0.999 305 V HN 0.456 nan 8.190 nan 0.000 0.423 306 F N 3.609 123.437 119.950 -0.203 0.000 2.404 306 F HA 0.679 5.206 4.527 0.000 0.000 0.339 306 F C 0.188 175.615 175.800 -0.620 0.000 1.105 306 F CA -0.560 57.176 58.000 -0.439 0.000 1.087 306 F CB 1.851 40.561 39.000 -0.484 0.000 1.143 306 F HN 0.172 nan 8.300 nan 0.000 0.491 307 V N 2.941 122.609 119.914 -0.410 0.000 2.577 307 V HA 0.274 4.394 4.120 0.000 0.000 0.303 307 V C -0.414 175.500 176.094 -0.300 0.000 1.042 307 V CA -1.067 61.028 62.300 -0.341 0.000 0.872 307 V CB 1.574 33.266 31.823 -0.220 0.000 0.998 307 V HN 0.603 nan 8.190 nan 0.000 0.423 308 Q N 3.874 123.566 119.800 -0.180 0.000 2.286 308 Q HA 0.138 4.479 4.340 0.000 0.000 0.290 308 Q C 0.260 176.202 176.000 -0.097 0.000 1.049 308 Q CA 1.002 56.805 55.803 0.000 0.000 0.923 308 Q CB 0.628 29.486 28.738 0.201 0.000 1.183 308 Q HN 0.745 nan 8.270 nan 0.000 0.383 309 E N 2.080 122.188 120.200 -0.152 0.000 3.834 309 E HA 0.439 4.789 4.350 0.000 0.000 0.318 309 E C 0.223 176.772 176.600 -0.085 0.000 0.680 309 E CA -0.084 56.204 56.400 -0.187 0.000 1.860 309 E CB -0.642 28.800 29.700 -0.430 0.000 2.061 309 E HN 0.706 nan 8.360 nan 0.000 0.447 310 G N -1.012 107.750 108.800 -0.063 0.000 2.508 310 G HA2 0.479 4.439 3.960 0.000 0.000 0.278 310 G HA3 0.479 4.439 3.960 0.000 0.000 0.278 310 G C -0.188 174.591 174.900 -0.201 0.000 1.389 310 G CA 0.149 45.240 45.100 -0.015 0.000 1.050 310 G HN 0.532 nan 8.290 nan 0.000 0.522 311 G N -2.903 105.514 108.800 -0.638 0.000 2.760 311 G HA2 0.238 4.198 3.960 0.000 0.000 0.540 311 G HA3 0.238 4.198 3.960 0.000 0.000 0.540 311 G C -0.928 173.502 174.900 -0.784 0.000 1.476 311 G CA -0.544 44.320 45.100 -0.394 0.000 0.949 311 G HN 0.725 nan 8.290 nan 0.000 0.633 312 Y N 0.940 121.369 120.300 0.214 0.000 2.738 312 Y HA 0.534 5.084 4.550 0.000 0.000 0.249 312 Y C 1.237 177.222 175.900 0.142 0.000 1.157 312 Y CA -0.134 58.075 58.100 0.181 0.000 1.189 312 Y CB 1.415 39.998 38.460 0.204 0.000 1.262 312 Y HN 0.639 nan 8.280 nan 0.000 0.554 313 S N 3.406 119.215 115.700 0.181 0.000 2.461 313 S HA 0.262 4.732 4.470 0.000 0.000 0.322 313 S C -1.701 172.914 174.600 0.025 0.000 1.063 313 S CA -1.697 56.588 58.200 0.141 0.000 1.120 313 S CB 0.867 64.199 63.200 0.220 0.000 0.968 313 S HN 0.025 nan 8.310 nan 0.000 0.467 314 P HA -0.097 nan 4.420 nan 0.000 0.226 314 P C 0.810 178.026 177.300 -0.140 0.000 1.153 314 P CA 0.966 63.978 63.100 -0.146 0.000 0.777 314 P CB 0.007 31.582 31.700 -0.209 0.000 0.794 315 H N -1.832 117.311 119.070 0.122 0.000 2.317 315 H HA -0.060 4.496 4.556 0.000 0.000 0.304 315 H C 1.710 177.159 175.328 0.201 0.000 1.067 315 H CA 1.254 57.392 56.048 0.150 0.000 1.352 315 H CB -0.817 28.998 29.762 0.088 0.000 1.398 315 H HN 0.161 nan 8.280 nan 0.000 0.510 316 Y N 0.703 121.034 120.300 0.052 0.000 2.522 316 Y HA 0.128 4.678 4.550 0.000 0.000 0.277 316 Y C 2.421 178.301 175.900 -0.033 0.000 1.104 316 Y CA -0.179 57.897 58.100 -0.040 0.000 1.260 316 Y CB -0.324 38.023 38.460 -0.188 0.000 1.151 316 Y HN -0.001 nan 8.280 nan 0.000 0.539 317 L N 1.139 122.291 121.223 -0.118 0.000 2.043 317 L HA -0.154 4.186 4.340 0.000 0.000 0.212 317 L C -0.900 175.590 176.870 -0.634 0.000 1.075 317 L CA 1.790 56.416 54.840 -0.357 0.000 0.752 317 L CB -1.217 40.747 42.059 -0.159 0.000 0.891 317 L HN 0.055 nan 8.230 nan 0.000 0.432 318 P HA -0.191 nan 4.420 nan 0.000 0.216 318 P C 1.233 178.042 177.300 -0.820 0.000 1.150 318 P CA 1.725 64.467 63.100 -0.597 0.000 0.843 318 P CB -0.122 31.303 31.700 -0.459 0.000 0.787 319 F N -1.378 118.299 119.950 -0.456 0.000 2.206 319 F HA -0.125 4.402 4.527 0.000 0.000 0.298 319 F C 2.467 177.884 175.800 -0.640 0.000 1.090 319 F CA 0.786 58.533 58.000 -0.421 0.000 1.323 319 F CB -1.521 37.362 39.000 -0.195 0.000 1.028 319 F HN -0.033 nan 8.300 nan 0.000 0.492 320 C N 0.094 118.905 119.300 -0.816 0.000 2.429 320 C HA -0.099 4.362 4.460 0.000 0.000 0.277 320 C C 3.147 177.280 174.990 -1.428 0.000 1.262 320 C CA 1.273 59.694 59.018 -0.996 0.000 1.733 320 C CB -1.657 25.351 27.740 -1.221 0.000 2.010 320 C HN 0.644 nan 8.230 nan 0.000 0.483 321 G N 0.206 107.824 108.800 -1.970 0.000 2.421 321 G HA2 -0.185 3.776 3.960 0.000 0.000 0.216 321 G HA3 -0.185 3.776 3.960 0.000 0.000 0.216 321 G C 1.512 175.851 174.900 -0.935 0.000 1.171 321 G CA 0.842 44.680 45.100 -2.104 0.000 0.775 321 G HN 0.437 nan 8.290 nan 0.000 0.543 322 L N 1.518 122.335 121.223 -0.677 0.000 2.079 322 L HA 0.062 4.403 4.340 0.000 0.000 0.210 322 L C 3.074 179.827 176.870 -0.195 0.000 1.081 322 L CA 2.073 56.763 54.840 -0.249 0.000 0.752 322 L CB -0.748 41.179 42.059 -0.220 0.000 0.896 322 L HN 0.253 nan 8.230 nan 0.000 0.433 323 A N -1.214 121.473 122.820 -0.222 0.000 1.883 323 A HA -0.186 4.134 4.320 0.000 0.000 0.217 323 A C 2.268 179.813 177.584 -0.066 0.000 1.186 323 A CA 2.194 54.169 52.037 -0.102 0.000 0.624 323 A CB -1.146 17.813 19.000 -0.069 0.000 0.822 323 A HN 0.309 nan 8.150 nan 0.000 0.444 324 V N 0.094 119.958 119.914 -0.083 0.000 2.343 324 V HA -0.259 3.862 4.120 0.000 0.000 0.247 324 V C 2.403 178.441 176.094 -0.093 0.000 1.051 324 V CA 1.991 64.284 62.300 -0.012 0.000 1.036 324 V CB -0.657 31.261 31.823 0.157 0.000 0.654 324 V HN 0.570 nan 8.190 nan 0.000 0.451 325 I N -0.223 120.279 120.570 -0.114 0.000 2.315 325 I HA -0.212 3.958 4.170 0.000 0.000 0.248 325 I C 2.526 178.609 176.117 -0.057 0.000 1.117 325 I CA 1.415 62.663 61.300 -0.086 0.000 1.404 325 I CB -0.370 37.562 38.000 -0.112 0.000 1.071 325 I HN 0.382 nan 8.210 nan 0.000 0.419 326 E N 0.550 120.712 120.200 -0.064 0.000 2.160 326 E HA -0.230 4.121 4.350 0.000 0.000 0.195 326 E C 1.970 178.554 176.600 -0.027 0.000 0.991 326 E CA 0.957 57.326 56.400 -0.052 0.000 0.810 326 E CB 0.023 29.693 29.700 -0.050 0.000 0.742 326 E HN 0.383 nan 8.360 nan 0.000 0.466 327 E N 0.392 120.587 120.200 -0.009 0.000 2.208 327 E HA -0.099 4.251 4.350 0.000 0.000 0.193 327 E C 2.136 178.761 176.600 0.042 0.000 0.988 327 E CA 0.512 56.928 56.400 0.026 0.000 0.828 327 E CB -0.029 29.707 29.700 0.059 0.000 0.763 327 E HN 0.329 nan 8.360 nan 0.000 0.478 328 L N 0.685 121.922 121.223 0.024 0.000 2.044 328 L HA -0.127 4.213 4.340 0.000 0.000 0.205 328 L C 2.595 179.502 176.870 0.061 0.000 1.075 328 L CA 1.781 56.661 54.840 0.066 0.000 0.747 328 L CB -0.562 41.542 42.059 0.076 0.000 0.903 328 L HN 0.196 nan 8.230 nan 0.000 0.435 329 T N -3.875 110.696 114.554 0.028 0.000 3.043 329 T HA 0.096 4.446 4.350 0.000 0.000 0.263 329 T C 1.548 176.239 174.700 -0.015 0.000 1.094 329 T CA 0.573 62.682 62.100 0.016 0.000 1.127 329 T CB 0.117 68.981 68.868 -0.007 0.000 0.905 329 T HN 0.467 nan 8.240 nan 0.000 0.490 330 G N 0.593 109.381 108.800 -0.020 0.000 2.155 330 G HA2 -0.205 3.755 3.960 0.000 0.000 0.257 330 G HA3 -0.205 3.755 3.960 0.000 0.000 0.257 330 G C 0.022 174.874 174.900 -0.079 0.000 0.983 330 G CA 0.132 45.215 45.100 -0.029 0.000 0.676 330 G HN 0.790 nan 8.290 nan 0.000 0.528 331 V N 0.389 120.219 119.914 -0.140 0.000 2.409 331 V HA 0.651 4.771 4.120 0.000 0.000 0.291 331 V C 0.476 176.466 176.094 -0.174 0.000 1.020 331 V CA -1.085 61.074 62.300 -0.234 0.000 0.848 331 V CB 1.653 33.141 31.823 -0.559 0.000 0.990 331 V HN 0.395 nan 8.190 nan 0.000 0.430 332 R N 2.980 123.406 120.500 -0.122 0.000 2.265 332 R HA 0.482 4.822 4.340 0.000 0.000 0.314 332 R C 0.704 176.964 176.300 -0.067 0.000 1.053 332 R CA 0.285 56.339 56.100 -0.077 0.000 0.931 332 R CB 1.318 31.588 30.300 -0.051 0.000 1.024 332 R HN 0.726 nan 8.270 nan 0.000 0.457 333 S N 2.972 118.646 115.700 -0.044 0.000 2.545 333 S HA 0.373 4.843 4.470 0.000 0.000 0.232 333 S C -0.170 174.433 174.600 0.004 0.000 1.070 333 S CA 0.038 58.226 58.200 -0.019 0.000 0.923 333 S CB 0.321 63.511 63.200 -0.018 0.000 0.806 333 S HN 0.441 nan 8.310 nan 0.000 0.506 334 L N 1.716 122.951 121.223 0.021 0.000 2.466 334 L HA 0.473 4.813 4.340 0.000 0.000 0.258 334 L C -2.817 174.086 176.870 0.054 0.000 0.973 334 L CA -2.156 52.718 54.840 0.055 0.000 0.826 334 L CB 2.307 44.443 42.059 0.129 0.000 1.372 334 L HN -0.038 nan 8.230 nan 0.000 0.409 335 P HA 0.095 nan 4.420 nan 0.000 0.274 335 P C -1.244 176.064 177.300 0.014 0.000 1.237 335 P CA -0.305 62.799 63.100 0.005 0.000 0.793 335 P CB 0.644 32.326 31.700 -0.029 0.000 0.977 336 D N 1.995 122.404 120.400 0.015 0.000 2.338 336 D HA 0.068 4.708 4.640 0.000 0.000 0.255 336 D C -1.355 174.879 176.300 -0.109 0.000 1.237 336 D CA -2.092 51.893 54.000 -0.025 0.000 0.883 336 D CB 0.374 41.276 40.800 0.171 0.000 1.087 336 D HN 0.134 nan 8.370 nan 0.000 0.485 337 P HA -0.102 nan 4.420 nan 0.000 0.229 337 P C 0.524 177.595 177.300 -0.381 0.000 1.160 337 P CA 0.722 63.591 63.100 -0.385 0.000 0.777 337 P CB -0.028 31.336 31.700 -0.560 0.000 0.814 338 Y N -1.832 118.378 120.300 -0.150 0.000 2.490 338 Y HA 0.020 4.570 4.550 0.000 0.000 0.281 338 Y C 2.624 178.541 175.900 0.029 0.000 1.174 338 Y CA 0.125 58.184 58.100 -0.069 0.000 1.295 338 Y CB -0.984 37.372 38.460 -0.173 0.000 1.062 338 Y HN 0.073 nan 8.280 nan 0.000 0.522 339 H N 0.728 119.856 119.070 0.095 0.000 2.265 339 H HA -0.180 4.377 4.556 0.000 0.000 0.295 339 H C 2.023 177.390 175.328 0.065 0.000 1.084 339 H CA 2.499 58.599 56.048 0.086 0.000 1.261 339 H CB 0.188 29.976 29.762 0.043 0.000 1.360 339 H HN 0.309 nan 8.280 nan 0.000 0.487 340 E N -0.877 119.359 120.200 0.060 0.000 2.047 340 E HA -0.166 4.184 4.350 0.000 0.000 0.191 340 E C 2.081 178.669 176.600 -0.020 0.000 0.987 340 E CA 0.907 57.311 56.400 0.008 0.000 0.799 340 E CB -0.277 29.468 29.700 0.076 0.000 0.752 340 E HN 0.453 nan 8.360 nan 0.000 0.449 341 F N 1.432 121.331 119.950 -0.085 0.000 2.120 341 F HA -0.219 4.308 4.527 0.000 0.000 0.300 341 F C 1.898 177.638 175.800 -0.100 0.000 1.095 341 F CA 1.454 59.409 58.000 -0.075 0.000 1.249 341 F CB -0.078 38.894 39.000 -0.046 0.000 0.995 341 F HN -0.074 nan 8.300 nan 0.000 0.480 342 L N -0.729 120.418 121.223 -0.126 0.000 2.307 342 L HA 0.073 4.413 4.340 0.000 0.000 0.211 342 L C 2.712 179.425 176.870 -0.262 0.000 1.099 342 L CA 0.644 55.334 54.840 -0.251 0.000 0.816 342 L CB -1.104 40.860 42.059 -0.158 0.000 0.952 342 L HN 0.172 nan 8.230 nan 0.000 0.455 343 A N 0.951 123.597 122.820 -0.289 0.000 1.917 343 A HA -0.192 4.128 4.320 0.000 0.000 0.219 343 A C 2.348 179.821 177.584 -0.186 0.000 1.182 343 A CA 1.941 53.815 52.037 -0.272 0.000 0.633 343 A CB -1.286 17.515 19.000 -0.331 0.000 0.819 343 A HN 0.433 nan 8.150 nan 0.000 0.448 344 G N -1.180 107.503 108.800 -0.195 0.000 2.498 344 G HA2 -0.095 3.865 3.960 0.000 0.000 0.219 344 G HA3 -0.095 3.865 3.960 0.000 0.000 0.219 344 G C 1.424 176.222 174.900 -0.168 0.000 1.119 344 G CA 0.962 45.963 45.100 -0.165 0.000 0.766 344 G HN 0.527 nan 8.290 nan 0.000 0.552 345 M N 0.020 119.500 119.600 -0.200 0.000 2.541 345 M HA 0.270 4.750 4.480 0.000 0.000 0.252 345 M C 1.411 177.643 176.300 -0.113 0.000 1.125 345 M CA 0.719 55.916 55.300 -0.172 0.000 1.091 345 M CB 0.184 32.662 32.600 -0.203 0.000 1.420 345 M HN 0.332 nan 8.290 nan 0.000 0.486 346 G N -0.382 108.357 108.800 -0.102 0.000 2.548 346 G HA2 0.092 4.052 3.960 0.000 0.000 0.208 346 G HA3 0.092 4.052 3.960 0.000 0.000 0.208 346 G C 0.350 175.214 174.900 -0.059 0.000 1.308 346 G CA -0.508 44.550 45.100 -0.070 0.000 0.924 346 G HN 0.666 nan 8.290 nan 0.000 0.540 347 G N -1.571 107.206 108.800 -0.039 0.000 2.217 347 G HA2 -0.253 3.707 3.960 0.000 0.000 0.246 347 G HA3 -0.253 3.707 3.960 0.000 0.000 0.246 347 G C 0.806 175.693 174.900 -0.022 0.000 0.990 347 G CA 1.148 46.233 45.100 -0.025 0.000 0.627 347 G HN 1.524 nan 8.290 nan 0.000 0.522 348 N N 0.913 119.595 118.700 -0.029 0.000 2.322 348 N HA 0.160 4.900 4.740 0.000 0.000 0.194 348 N C -0.042 175.458 175.510 -0.017 0.000 1.126 348 N CA 0.906 53.943 53.050 -0.021 0.000 0.845 348 N CB 0.572 39.044 38.487 -0.024 0.000 0.976 348 N HN 0.437 nan 8.380 nan 0.000 0.475 349 T N 1.056 115.596 114.554 -0.023 0.000 2.824 349 T HA 0.279 4.629 4.350 0.000 0.000 0.282 349 T C -0.293 174.383 174.700 -0.039 0.000 0.993 349 T CA -0.597 61.486 62.100 -0.028 0.000 0.967 349 T CB 2.226 71.077 68.868 -0.029 0.000 0.960 349 T HN -0.080 nan 8.240 nan 0.000 0.441 350 L N 4.910 126.099 121.223 -0.057 0.000 2.433 350 L HA 0.391 4.732 4.340 0.000 0.000 0.275 350 L C -0.598 176.215 176.870 -0.095 0.000 1.128 350 L CA 0.038 54.818 54.840 -0.100 0.000 0.875 350 L CB -0.228 41.723 42.059 -0.179 0.000 1.171 350 L HN 0.547 nan 8.230 nan 0.000 0.463 351 L N 4.511 125.684 121.223 -0.083 0.000 2.399 351 L HA 0.263 4.603 4.340 0.000 0.000 0.266 351 L C 1.029 177.849 176.870 -0.083 0.000 1.114 351 L CA -0.794 54.005 54.840 -0.067 0.000 0.804 351 L CB 0.580 42.612 42.059 -0.045 0.000 1.146 351 L HN 0.567 nan 8.230 nan 0.000 0.451 352 D N 1.681 122.042 120.400 -0.064 0.000 2.123 352 D HA -0.173 4.467 4.640 0.000 0.000 0.196 352 D C 1.935 178.200 176.300 -0.058 0.000 0.992 352 D CA 1.747 55.710 54.000 -0.062 0.000 0.833 352 D CB 0.085 40.860 40.800 -0.042 0.000 0.954 352 D HN 0.704 nan 8.370 nan 0.000 0.455 353 A N 0.660 123.452 122.820 -0.046 0.000 1.969 353 A HA -0.177 4.143 4.320 0.000 0.000 0.218 353 A C 2.047 179.598 177.584 -0.054 0.000 1.169 353 A CA 1.336 53.349 52.037 -0.040 0.000 0.635 353 A CB -0.399 18.586 19.000 -0.025 0.000 0.810 353 A HN 0.215 nan 8.150 nan 0.000 0.445 354 E N -0.642 119.517 120.200 -0.068 0.000 2.047 354 E HA -0.175 4.175 4.350 0.000 0.000 0.191 354 E C 2.285 178.823 176.600 -0.102 0.000 0.987 354 E CA 1.082 57.431 56.400 -0.085 0.000 0.799 354 E CB -0.194 29.453 29.700 -0.088 0.000 0.752 354 E HN 0.594 nan 8.360 nan 0.000 0.449 355 R N 0.820 121.233 120.500 -0.144 0.000 2.083 355 R HA -0.178 4.162 4.340 0.000 0.000 0.237 355 R C 2.267 178.536 176.300 -0.052 0.000 1.137 355 R CA 1.482 57.479 56.100 -0.172 0.000 0.951 355 R CB -0.252 29.924 30.300 -0.206 0.000 0.851 355 R HN 0.171 nan 8.270 nan 0.000 0.434 356 A N 0.664 123.455 122.820 -0.050 0.000 1.902 356 A HA -0.107 4.213 4.320 0.000 0.000 0.217 356 A C 2.371 179.935 177.584 -0.033 0.000 1.181 356 A CA 1.700 53.718 52.037 -0.030 0.000 0.623 356 A CB -0.797 18.184 19.000 -0.031 0.000 0.818 356 A HN 0.559 nan 8.150 nan 0.000 0.443 357 A N -0.145 122.644 122.820 -0.052 0.000 1.908 357 A HA -0.110 4.210 4.320 0.000 0.000 0.218 357 A C 2.109 179.656 177.584 -0.062 0.000 1.181 357 A CA 1.664 53.657 52.037 -0.074 0.000 0.627 357 A CB -0.587 18.352 19.000 -0.102 0.000 0.818 357 A HN 0.515 nan 8.150 nan 0.000 0.445 358 I N -0.632 119.921 120.570 -0.029 0.000 2.353 358 I HA -0.139 4.032 4.170 0.000 0.000 0.248 358 I C 2.201 178.325 176.117 0.011 0.000 1.119 358 I CA 0.894 62.194 61.300 -0.000 0.000 1.417 358 I CB -0.269 37.789 38.000 0.098 0.000 1.078 358 I HN 0.236 nan 8.210 nan 0.000 0.421 359 E N 0.927 121.146 120.200 0.031 0.000 2.204 359 E HA -0.203 4.147 4.350 0.000 0.000 0.194 359 E C 1.877 178.476 176.600 -0.001 0.000 0.989 359 E CA 0.774 57.190 56.400 0.026 0.000 0.824 359 E CB -0.203 29.522 29.700 0.042 0.000 0.756 359 E HN 0.543 nan 8.360 nan 0.000 0.477 360 E N 0.216 120.408 120.200 -0.012 0.000 2.219 360 E HA -0.175 4.175 4.350 0.000 0.000 0.198 360 E C 1.661 178.249 176.600 -0.020 0.000 0.998 360 E CA 0.697 57.086 56.400 -0.018 0.000 0.818 360 E CB 0.060 29.742 29.700 -0.029 0.000 0.741 360 E HN 0.216 nan 8.360 nan 0.000 0.477 361 I N -0.130 120.424 120.570 -0.026 0.000 3.228 361 I HA -0.096 4.074 4.170 0.000 0.000 0.279 361 I C 2.222 178.320 176.117 -0.031 0.000 1.221 361 I CA 0.456 61.738 61.300 -0.031 0.000 1.458 361 I CB -0.788 37.189 38.000 -0.039 0.000 1.105 361 I HN -0.037 nan 8.210 nan 0.000 0.445 362 V N 2.777 122.675 119.914 -0.026 0.000 2.324 362 V HA -0.178 3.942 4.120 0.000 0.000 0.250 362 V C -0.080 175.998 176.094 -0.027 0.000 1.060 362 V CA 2.169 64.452 62.300 -0.028 0.000 1.042 362 V CB -1.922 29.887 31.823 -0.024 0.000 0.650 362 V HN 0.276 nan 8.190 nan 0.000 0.450 363 P HA -0.123 nan 4.420 nan 0.000 0.219 363 P C 1.703 178.984 177.300 -0.031 0.000 1.146 363 P CA 1.237 64.324 63.100 -0.021 0.000 0.808 363 P CB -0.101 31.591 31.700 -0.014 0.000 0.779 364 L N -1.756 119.441 121.223 -0.042 0.000 2.376 364 L HA -0.074 4.266 4.340 0.000 0.000 0.219 364 L C 2.163 178.981 176.870 -0.086 0.000 1.133 364 L CA 0.710 55.509 54.840 -0.069 0.000 0.816 364 L CB -0.842 41.171 42.059 -0.078 0.000 0.933 364 L HN 0.011 nan 8.230 nan 0.000 0.449 365 L N 0.159 121.345 121.223 -0.063 0.000 2.191 365 L HA -0.178 4.162 4.340 0.000 0.000 0.212 365 L C 2.845 179.682 176.870 -0.054 0.000 1.103 365 L CA 0.929 55.734 54.840 -0.058 0.000 0.769 365 L CB -0.676 41.362 42.059 -0.035 0.000 0.908 365 L HN 0.266 nan 8.230 nan 0.000 0.438 366 A N -0.491 122.301 122.820 -0.046 0.000 2.019 366 A HA -0.185 4.135 4.320 0.000 0.000 0.219 366 A C 1.715 179.274 177.584 -0.043 0.000 1.164 366 A CA 1.593 53.611 52.037 -0.032 0.000 0.644 366 A CB -0.285 18.702 19.000 -0.021 0.000 0.805 366 A HN 0.374 nan 8.150 nan 0.000 0.449 367 D N -0.594 119.756 120.400 -0.083 0.000 2.339 367 D HA 0.199 4.839 4.640 0.000 0.000 0.217 367 D C 0.720 176.897 176.300 -0.205 0.000 1.050 367 D CA 0.097 54.029 54.000 -0.113 0.000 0.856 367 D CB 0.208 40.933 40.800 -0.125 0.000 0.922 367 D HN 0.451 nan 8.370 nan 0.000 0.518 368 I N 0.000 120.464 120.570 -0.177 0.000 2.984 368 I HA 0.000 4.170 4.170 0.000 0.000 0.288 368 I CA 0.000 61.206 61.300 -0.157 0.000 1.566 368 I CB 0.000 37.967 38.000 -0.056 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494