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_B 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 0.000 177.638 177.584 0.091 0.000 1.274 2 A CA 0.000 52.081 52.037 0.074 0.000 0.836 2 A CB 0.000 19.038 19.000 0.063 0.000 0.831 3 I N 2.674 123.307 120.570 0.104 0.000 2.389 3 I HA 0.515 4.686 4.170 0.000 0.000 0.288 3 I C 0.970 177.180 176.117 0.154 0.000 0.999 3 I CA -0.280 61.099 61.300 0.132 0.000 1.129 3 I CB 1.005 39.084 38.000 0.132 0.000 1.288 3 I HN 0.773 nan 8.210 nan 0.000 0.444 4 G N 5.401 114.301 108.800 0.168 0.000 2.448 4 G HA2 0.375 4.335 3.960 0.000 0.000 0.285 4 G HA3 0.375 4.335 3.960 0.000 0.000 0.285 4 G C -1.679 173.390 174.900 0.282 0.000 1.176 4 G CA -0.104 45.105 45.100 0.183 0.000 0.852 4 G HN 0.521 nan 8.290 nan 0.000 0.530 5 Y N 1.049 121.421 120.300 0.119 0.000 2.361 5 Y HA 0.496 5.047 4.550 0.000 0.000 0.328 5 Y C -1.086 174.904 175.900 0.151 0.000 1.044 5 Y CA -0.959 57.232 58.100 0.151 0.000 1.085 5 Y CB 1.909 40.441 38.460 0.121 0.000 1.194 5 Y HN 0.446 nan 8.280 nan 0.000 0.438 6 V N 6.682 126.380 119.914 -0.359 0.000 2.417 6 V HA 0.381 4.501 4.120 0.000 0.000 0.291 6 V C -0.974 174.919 176.094 -0.336 0.000 1.024 6 V CA -0.753 61.392 62.300 -0.257 0.000 0.861 6 V CB 1.540 33.329 31.823 -0.057 0.000 0.985 6 V HN 0.826 nan 8.190 nan 0.000 0.436 7 W N 5.886 126.914 121.300 -0.454 0.000 3.129 7 W HA 0.488 5.148 4.660 0.000 0.000 0.333 7 W C -1.772 174.449 176.519 -0.496 0.000 1.141 7 W CA -0.619 56.493 57.345 -0.388 0.000 1.224 7 W CB 2.190 31.293 29.460 -0.595 0.000 1.393 7 W HN 0.585 nan 8.180 nan 0.000 0.499 8 N N 2.400 120.058 118.700 -1.736 0.000 2.284 8 N HA 0.170 4.910 4.740 0.000 0.000 0.300 8 N C 0.663 175.136 175.510 -1.729 0.000 1.047 8 N CA -0.078 52.027 53.050 -1.575 0.000 0.821 8 N CB 2.324 39.755 38.487 -1.759 0.000 1.337 8 N HN 0.418 nan 8.380 nan 0.000 0.482 9 T N 2.934 116.920 114.554 -0.947 0.000 2.680 9 T HA -0.150 4.200 4.350 0.000 0.000 0.268 9 T C 1.843 176.061 174.700 -0.804 0.000 1.033 9 T CA 1.349 63.071 62.100 -0.630 0.000 1.152 9 T CB -0.082 68.498 68.868 -0.480 0.000 0.859 9 T HN 0.514 nan 8.240 nan 0.000 0.452 10 L N -0.431 120.245 121.223 -0.913 0.000 2.275 10 L HA -0.044 4.296 4.340 0.000 0.000 0.215 10 L C 2.212 178.883 176.870 -0.332 0.000 1.119 10 L CA 1.151 55.578 54.840 -0.687 0.000 0.790 10 L CB -0.715 41.018 42.059 -0.543 0.000 0.919 10 L HN 0.446 nan 8.230 nan 0.000 0.443 11 Y N 0.014 119.938 120.300 -0.627 0.000 2.298 11 Y HA -0.212 4.339 4.550 0.000 0.000 0.287 11 Y C 2.457 178.221 175.900 -0.227 0.000 1.164 11 Y CA 0.273 58.051 58.100 -0.537 0.000 1.229 11 Y CB -0.385 37.480 38.460 -0.991 0.000 0.977 11 Y HN 0.262 nan 8.280 nan 0.000 0.538 12 G N -1.748 107.087 108.800 0.059 0.000 2.920 12 G HA2 -0.132 3.828 3.960 0.000 0.000 0.208 12 G HA3 -0.132 3.828 3.960 0.000 0.000 0.208 12 G C 0.476 175.629 174.900 0.422 0.000 1.159 12 G CA -0.069 45.271 45.100 0.399 0.000 0.784 12 G HN 0.364 nan 8.290 nan 0.000 0.535 13 W N 0.510 121.787 121.300 -0.038 0.000 3.132 13 W HA 0.433 5.093 4.660 0.001 0.000 0.364 13 W C 0.393 176.854 176.519 -0.098 0.000 1.129 13 W CA -1.516 55.791 57.345 -0.063 0.000 1.815 13 W CB -0.429 28.993 29.460 -0.063 0.000 1.099 13 W HN -0.221 nan 8.180 nan 0.000 0.605 14 V N 2.559 122.526 119.914 0.088 0.000 2.617 14 V HA -0.120 4.001 4.120 0.000 0.000 0.304 14 V C 0.351 176.382 176.094 -0.105 0.000 1.040 14 V CA 0.537 62.827 62.300 -0.016 0.000 1.149 14 V CB 0.426 32.218 31.823 -0.051 0.000 0.914 14 V HN -0.121 nan 8.190 nan 0.000 0.487 15 D N 3.747 124.088 120.400 -0.098 0.000 2.396 15 D HA 0.185 4.825 4.640 0.000 0.000 0.225 15 D C 1.065 177.261 176.300 -0.173 0.000 1.121 15 D CA -0.187 53.734 54.000 -0.131 0.000 0.853 15 D CB 1.400 42.151 40.800 -0.083 0.000 1.043 15 D HN 0.709 nan 8.370 nan 0.000 0.500 16 T N 0.714 115.125 114.554 -0.238 0.000 3.144 16 T HA 0.455 4.805 4.350 0.000 0.000 0.249 16 T C 1.157 175.708 174.700 -0.248 0.000 1.089 16 T CA 0.115 62.004 62.100 -0.351 0.000 0.989 16 T CB -0.049 68.514 68.868 -0.508 0.000 0.992 16 T HN 0.575 nan 8.240 nan 0.000 0.540 17 G N 1.840 110.569 108.800 -0.119 0.000 2.527 17 G HA2 -0.204 3.757 3.960 0.000 0.000 0.227 17 G HA3 -0.204 3.757 3.960 0.000 0.000 0.227 17 G C 0.497 175.407 174.900 0.017 0.000 1.291 17 G CA 0.439 45.513 45.100 -0.043 0.000 0.904 17 G HN 1.067 nan 8.290 nan 0.000 0.577 18 T N -1.759 112.822 114.554 0.046 0.000 3.145 18 T HA 0.631 4.981 4.350 0.000 0.000 0.281 18 T C 1.008 175.760 174.700 0.086 0.000 1.003 18 T CA 1.143 63.281 62.100 0.064 0.000 0.901 18 T CB 0.579 69.471 68.868 0.040 0.000 1.112 18 T HN 1.908 nan 8.240 nan 0.000 0.535 19 G N 0.419 109.296 108.800 0.128 0.000 2.531 19 G HA2 0.502 4.463 3.960 0.000 0.000 0.313 19 G HA3 0.502 4.463 3.960 0.000 0.000 0.313 19 G C 0.535 175.503 174.900 0.112 0.000 1.238 19 G CA -0.480 44.693 45.100 0.121 0.000 0.994 19 G HN 0.154 nan 8.290 nan 0.000 0.493 20 S N -1.035 114.656 115.700 -0.014 0.000 2.406 20 S HA 0.039 4.509 4.470 0.000 0.000 0.224 20 S C 1.220 175.489 174.600 -0.552 0.000 1.030 20 S CA 1.031 59.119 58.200 -0.187 0.000 0.958 20 S CB -0.062 63.078 63.200 -0.099 0.000 0.811 20 S HN 0.419 nan 8.310 nan 0.000 0.489 21 L N -0.881 120.173 121.223 -0.282 0.000 2.208 21 L HA 0.585 4.925 4.340 0.000 0.000 0.133 21 L C 0.270 177.255 176.870 0.192 0.000 1.385 21 L CA 0.652 55.405 54.840 -0.146 0.000 1.030 21 L CB -0.663 41.347 42.059 -0.082 0.000 2.075 21 L HN 0.086 nan 8.230 nan 0.000 0.482 22 A N 1.024 123.902 122.820 0.097 0.000 2.267 22 A HA 0.748 5.069 4.320 0.000 0.000 0.271 22 A C 0.405 178.056 177.584 0.110 0.000 1.131 22 A CA 0.128 52.230 52.037 0.108 0.000 0.818 22 A CB -0.560 18.474 19.000 0.058 0.000 1.118 22 A HN 0.705 nan 8.150 nan 0.000 0.501 23 A N -0.654 122.217 122.820 0.084 0.000 2.448 23 A HA 0.518 4.838 4.320 0.000 0.000 0.239 23 A C 0.892 178.507 177.584 0.053 0.000 1.080 23 A CA 0.209 52.287 52.037 0.068 0.000 0.779 23 A CB -0.618 18.408 19.000 0.044 0.000 1.026 23 A HN 2.223 nan 8.150 nan 0.000 0.499 24 A N 1.053 123.902 122.820 0.048 0.000 2.520 24 A HA 0.413 4.734 4.320 0.000 0.000 0.235 24 A C 0.319 177.919 177.584 0.027 0.000 1.065 24 A CA 0.590 52.648 52.037 0.035 0.000 0.764 24 A CB -0.325 18.695 19.000 0.033 0.000 1.002 24 A HN 1.015 nan 8.150 nan 0.000 0.502 25 N N 1.024 119.737 118.700 0.022 0.000 2.519 25 N HA 0.350 5.090 4.740 0.000 0.000 0.291 25 N C 0.094 175.613 175.510 0.015 0.000 1.107 25 N CA -0.635 52.426 53.050 0.018 0.000 0.904 25 N CB 1.072 39.569 38.487 0.018 0.000 1.500 25 N HN 0.415 nan 8.380 nan 0.000 0.510 26 L N 2.849 124.079 121.223 0.013 0.000 2.109 26 L HA 0.124 4.464 4.340 0.000 0.000 0.207 26 L C 1.691 178.567 176.870 0.010 0.000 1.086 26 L CA 1.959 56.806 54.840 0.011 0.000 0.760 26 L CB -0.569 41.496 42.059 0.010 0.000 0.910 26 L HN 0.719 nan 8.230 nan 0.000 0.437 27 T N -0.299 114.260 114.554 0.010 0.000 2.821 27 T HA -0.099 4.251 4.350 0.000 0.000 0.267 27 T C 1.735 176.441 174.700 0.009 0.000 1.046 27 T CA 1.160 63.265 62.100 0.009 0.000 1.139 27 T CB -0.379 68.494 68.868 0.008 0.000 0.871 27 T HN 0.459 nan 8.240 nan 0.000 0.454 28 A N 0.790 123.616 122.820 0.010 0.000 2.206 28 A HA 0.104 4.424 4.320 0.000 0.000 0.211 28 A C 0.933 178.523 177.584 0.010 0.000 1.158 28 A CA 0.135 52.178 52.037 0.010 0.000 0.761 28 A CB -0.157 18.850 19.000 0.012 0.000 0.801 28 A HN 0.290 nan 8.150 nan 0.000 0.473 29 R N -1.721 118.785 120.500 0.011 0.000 3.422 29 R HA -0.156 4.185 4.340 0.000 0.000 0.267 29 R C -0.575 175.732 176.300 0.012 0.000 1.074 29 R CA 0.942 57.048 56.100 0.011 0.000 0.718 29 R CB -2.656 27.650 30.300 0.010 0.000 1.157 29 R HN 0.641 nan 8.270 nan 0.000 0.440 30 M N 1.044 120.652 119.600 0.013 0.000 2.151 30 M HA 0.126 4.607 4.480 0.000 0.000 0.349 30 M C 0.943 177.253 176.300 0.017 0.000 1.284 30 M CA 0.149 55.458 55.300 0.014 0.000 1.173 30 M CB 1.155 33.764 32.600 0.015 0.000 1.469 30 M HN 0.061 nan 8.290 nan 0.000 0.439 31 Q N 4.669 124.479 119.800 0.016 0.000 2.364 31 Q HA 0.243 4.583 4.340 0.000 0.000 0.267 31 Q C -2.201 173.813 176.000 0.023 0.000 0.999 31 Q CA -1.356 54.458 55.803 0.018 0.000 0.886 31 Q CB 0.753 29.501 28.738 0.016 0.000 1.243 31 Q HN 0.300 nan 8.270 nan 0.000 0.415 32 P HA 0.178 nan 4.420 nan 0.000 0.270 32 P C -0.992 176.332 177.300 0.040 0.000 1.223 32 P CA 0.046 63.166 63.100 0.034 0.000 0.785 32 P CB 0.541 32.260 31.700 0.031 0.000 0.923 33 I N -0.463 120.140 120.570 0.055 0.000 2.827 33 I HA 0.162 4.332 4.170 0.000 0.000 0.298 33 I C 0.880 177.056 176.117 0.099 0.000 1.235 33 I CA -0.384 60.956 61.300 0.066 0.000 1.021 33 I CB 2.033 40.068 38.000 0.058 0.000 1.259 33 I HN 0.144 nan 8.210 nan 0.000 0.427 34 S N 2.329 118.104 115.700 0.126 0.000 2.368 34 S HA -0.049 4.421 4.470 0.000 0.000 0.224 34 S C -0.005 174.725 174.600 0.216 0.000 1.029 34 S CA 1.256 59.569 58.200 0.187 0.000 0.988 34 S CB -0.270 63.084 63.200 0.257 0.000 0.838 34 S HN 0.554 nan 8.310 nan 0.000 0.462 35 H N 0.320 119.391 119.070 0.001 0.000 2.718 35 H HA 0.398 4.954 4.556 0.000 0.000 0.295 35 H C -0.211 175.184 175.328 0.111 0.000 1.051 35 H CA -0.903 55.147 56.048 0.004 0.000 1.260 35 H CB 0.050 29.707 29.762 -0.175 0.000 1.403 35 H HN 0.325 nan 8.280 nan 0.000 0.488 36 H N 2.131 121.279 119.070 0.131 0.000 2.998 36 H HA -0.050 4.506 4.556 0.000 0.000 0.353 36 H C 1.016 176.384 175.328 0.066 0.000 1.099 36 H CA 0.112 56.194 56.048 0.055 0.000 1.393 36 H CB 0.908 30.658 29.762 -0.020 0.000 1.343 36 H HN 0.675 nan 8.280 nan 0.000 0.609 37 L N 3.065 124.124 121.223 -0.273 0.000 2.089 37 L HA -0.249 4.092 4.340 0.000 0.000 0.213 37 L C 2.123 179.114 176.870 0.202 0.000 1.079 37 L CA 1.665 56.470 54.840 -0.058 0.000 0.758 37 L CB -0.479 41.445 42.059 -0.225 0.000 0.891 37 L HN 0.801 nan 8.230 nan 0.000 0.433 38 A N -2.204 120.779 122.820 0.272 0.000 2.337 38 A HA 0.007 4.327 4.320 0.000 0.000 0.227 38 A C 0.471 178.128 177.584 0.122 0.000 1.259 38 A CA -0.326 51.796 52.037 0.142 0.000 0.870 38 A CB -0.888 17.733 19.000 -0.633 0.000 0.927 38 A HN 0.430 nan 8.150 nan 0.000 0.497 39 H N 1.221 120.358 119.070 0.112 0.000 3.038 39 H HA 0.078 4.634 4.556 0.000 0.000 0.338 39 H C -1.260 174.105 175.328 0.061 0.000 1.041 39 H CA -0.142 55.920 56.048 0.023 0.000 1.394 39 H CB 1.003 30.759 29.762 -0.009 0.000 1.357 39 H HN 0.103 nan 8.280 nan 0.000 0.600 40 P HA -0.117 nan 4.420 nan 0.000 0.230 40 P C 0.556 178.008 177.300 0.253 0.000 1.158 40 P CA 0.818 63.941 63.100 0.039 0.000 0.769 40 P CB 0.389 32.076 31.700 -0.022 0.000 0.807 41 D N -0.304 120.382 120.400 0.476 0.000 2.149 41 D HA -0.116 4.525 4.640 0.000 0.000 0.198 41 D C 1.862 178.310 176.300 0.246 0.000 0.990 41 D CA 1.363 55.594 54.000 0.385 0.000 0.839 41 D CB -0.900 40.138 40.800 0.397 0.000 0.948 41 D HN 0.142 nan 8.370 nan 0.000 0.460 42 T N 0.621 115.313 114.554 0.230 0.000 2.652 42 T HA -0.148 4.203 4.350 0.000 0.000 0.267 42 T C 1.889 176.686 174.700 0.160 0.000 1.039 42 T CA 1.281 63.467 62.100 0.143 0.000 1.153 42 T CB -0.066 68.873 68.868 0.118 0.000 0.863 42 T HN 0.182 nan 8.240 nan 0.000 0.428 43 K N 0.357 120.887 120.400 0.217 0.000 2.155 43 K HA 0.061 4.381 4.320 0.000 0.000 0.203 43 K C 2.505 179.218 176.600 0.190 0.000 1.052 43 K CA 0.594 57.054 56.287 0.287 0.000 0.948 43 K CB -0.064 32.645 32.500 0.349 0.000 0.728 43 K HN 0.140 nan 8.250 nan 0.000 0.448 44 R N 1.263 121.887 120.500 0.207 0.000 2.096 44 R HA -0.077 4.263 4.340 0.000 0.000 0.235 44 R C 1.993 178.260 176.300 -0.056 0.000 1.127 44 R CA 1.290 57.410 56.100 0.032 0.000 0.968 44 R CB 0.088 30.535 30.300 0.245 0.000 0.861 44 R HN 0.065 nan 8.270 nan 0.000 0.440 45 R N -0.624 119.896 120.500 0.033 0.000 2.115 45 R HA -0.117 4.224 4.340 0.000 0.000 0.230 45 R C 2.075 178.358 176.300 -0.028 0.000 1.111 45 R CA 1.137 57.230 56.100 -0.012 0.000 0.976 45 R CB -0.353 29.951 30.300 0.007 0.000 0.870 45 R HN 0.205 nan 8.270 nan 0.000 0.445 46 F N 1.239 121.080 119.950 -0.181 0.000 2.102 46 F HA -0.209 4.318 4.527 0.000 0.000 0.298 46 F C 2.260 177.907 175.800 -0.255 0.000 1.105 46 F CA 1.968 59.826 58.000 -0.236 0.000 1.239 46 F CB -0.977 37.929 39.000 -0.157 0.000 0.991 46 F HN 0.058 nan 8.300 nan 0.000 0.474 47 H N 0.242 119.016 119.070 -0.493 0.000 2.352 47 H HA -0.119 4.437 4.556 0.000 0.000 0.299 47 H C 2.032 177.087 175.328 -0.455 0.000 1.097 47 H CA 2.469 58.102 56.048 -0.691 0.000 1.311 47 H CB -0.416 28.483 29.762 -1.438 0.000 1.377 47 H HN 0.452 nan 8.280 nan 0.000 0.504 48 E N -0.469 119.420 120.200 -0.518 0.000 2.150 48 E HA -0.124 4.226 4.350 0.000 0.000 0.193 48 E C 2.085 178.480 176.600 -0.341 0.000 0.985 48 E CA 0.909 57.048 56.400 -0.435 0.000 0.814 48 E CB -0.061 29.512 29.700 -0.212 0.000 0.752 48 E HN 0.381 nan 8.360 nan 0.000 0.466 49 L N 0.631 121.689 121.223 -0.276 0.000 2.109 49 L HA -0.103 4.238 4.340 0.000 0.000 0.207 49 L C 2.153 178.872 176.870 -0.252 0.000 1.086 49 L CA 1.086 55.776 54.840 -0.250 0.000 0.760 49 L CB -0.140 41.733 42.059 -0.311 0.000 0.910 49 L HN -0.098 nan 8.230 nan 0.000 0.437 50 V N -1.035 118.699 119.914 -0.301 0.000 2.332 50 V HA -0.383 3.737 4.120 0.000 0.000 0.248 50 V C 2.569 178.447 176.094 -0.360 0.000 1.055 50 V CA 2.007 64.093 62.300 -0.358 0.000 1.038 50 V CB -0.850 30.643 31.823 -0.550 0.000 0.651 50 V HN 0.631 nan 8.190 nan 0.000 0.450 51 C N -0.167 118.881 119.300 -0.420 0.000 2.518 51 C HA 0.069 4.529 4.460 0.000 0.000 0.279 51 C C 3.054 177.916 174.990 -0.212 0.000 1.279 51 C CA 0.603 59.424 59.018 -0.328 0.000 1.703 51 C CB -1.202 26.304 27.740 -0.390 0.000 2.072 51 C HN 0.615 nan 8.230 nan 0.000 0.487 52 A N 1.163 123.865 122.820 -0.197 0.000 2.014 52 A HA -0.100 4.221 4.320 0.000 0.000 0.218 52 A C 2.201 179.729 177.584 -0.092 0.000 1.163 52 A CA 1.887 53.849 52.037 -0.124 0.000 0.652 52 A CB -0.691 18.244 19.000 -0.107 0.000 0.808 52 A HN 0.702 nan 8.150 nan 0.000 0.449 53 S N -1.676 113.960 115.700 -0.106 0.000 2.555 53 S HA 0.304 4.774 4.470 0.000 0.000 0.230 53 S C 1.548 176.121 174.600 -0.045 0.000 0.978 53 S CA 1.154 59.316 58.200 -0.064 0.000 0.934 53 S CB -0.493 62.662 63.200 -0.075 0.000 0.766 53 S HN 1.878 nan 8.310 nan 0.000 0.533 54 G N 0.895 109.654 108.800 -0.069 0.000 2.184 54 G HA2 -0.313 3.648 3.960 0.000 0.000 0.264 54 G HA3 -0.313 3.648 3.960 0.000 0.000 0.264 54 G C 0.901 175.795 174.900 -0.011 0.000 0.975 54 G CA 0.449 45.520 45.100 -0.049 0.000 0.642 54 G HN 0.455 nan 8.290 nan 0.000 0.536 55 Q N -0.431 119.353 119.800 -0.028 0.000 2.181 55 Q HA -0.046 4.295 4.340 0.000 0.000 0.205 55 Q C 2.614 178.569 176.000 -0.074 0.000 0.980 55 Q CA 1.500 57.307 55.803 0.007 0.000 0.862 55 Q CB -0.219 28.462 28.738 -0.095 0.000 0.905 55 Q HN 0.734 nan 8.270 nan 0.000 0.429 56 I N 1.867 122.324 120.570 -0.188 0.000 2.335 56 I HA -0.244 3.926 4.170 0.000 0.000 0.251 56 I C 1.654 177.681 176.117 -0.152 0.000 1.129 56 I CA 1.384 62.554 61.300 -0.218 0.000 1.402 56 I CB -0.079 37.789 38.000 -0.219 0.000 1.069 56 I HN 0.084 nan 8.210 nan 0.000 0.424 57 E N -0.467 119.613 120.200 -0.199 0.000 2.268 57 E HA -0.169 4.182 4.350 0.000 0.000 0.195 57 E C 1.460 177.821 176.600 -0.398 0.000 0.995 57 E CA 1.009 57.228 56.400 -0.302 0.000 0.836 57 E CB -0.582 28.877 29.700 -0.400 0.000 0.763 57 E HN 0.677 nan 8.360 nan 0.000 0.491 58 H N -0.399 118.642 119.070 -0.048 0.000 2.529 58 H HA 0.296 4.852 4.556 0.000 0.000 0.277 58 H C 0.540 175.859 175.328 -0.016 0.000 1.004 58 H CA 0.056 56.087 56.048 -0.028 0.000 1.167 58 H CB 0.659 30.402 29.762 -0.031 0.000 1.445 58 H HN 0.015 nan 8.280 nan 0.000 0.554 59 L N 0.424 121.669 121.223 0.037 0.000 2.319 59 L HA 0.334 4.674 4.340 0.000 0.000 0.267 59 L C 0.180 177.091 176.870 0.069 0.000 1.011 59 L CA -0.711 54.163 54.840 0.057 0.000 0.818 59 L CB 2.182 44.242 42.059 0.001 0.000 1.316 59 L HN -0.168 nan 8.230 nan 0.000 0.432 60 T N 2.213 116.833 114.554 0.109 0.000 2.781 60 T HA 0.319 4.669 4.350 0.000 0.000 0.305 60 T C -2.504 172.283 174.700 0.145 0.000 1.001 60 T CA -1.204 60.957 62.100 0.102 0.000 0.950 60 T CB 0.910 69.831 68.868 0.087 0.000 0.955 60 T HN 0.201 nan 8.240 nan 0.000 0.471 61 P HA 0.230 nan 4.420 nan 0.000 0.267 61 P C -0.701 176.659 177.300 0.100 0.000 1.205 61 P CA -0.395 62.809 63.100 0.172 0.000 0.765 61 P CB 0.423 32.216 31.700 0.155 0.000 0.828 62 I N 2.447 123.065 120.570 0.080 0.000 2.436 62 I HA 0.393 4.563 4.170 0.000 0.000 0.289 62 I C 0.368 176.475 176.117 -0.015 0.000 1.010 62 I CA -1.513 59.804 61.300 0.029 0.000 1.098 62 I CB 1.201 39.220 38.000 0.032 0.000 1.266 62 I HN 0.294 nan 8.210 nan 0.000 0.434 63 A N 5.236 128.035 122.820 -0.036 0.000 2.409 63 A HA 0.676 4.996 4.320 0.000 0.000 0.262 63 A C 0.599 178.128 177.584 -0.092 0.000 1.113 63 A CA -0.308 51.681 52.037 -0.080 0.000 0.790 63 A CB 0.266 19.220 19.000 -0.076 0.000 1.046 63 A HN 0.881 nan 8.150 nan 0.000 0.496 64 A N 2.165 124.905 122.820 -0.133 0.000 2.483 64 A HA 0.497 4.817 4.320 0.000 0.000 0.238 64 A C 0.012 177.531 177.584 -0.108 0.000 1.070 64 A CA 0.020 51.993 52.037 -0.108 0.000 0.770 64 A CB 0.056 18.984 19.000 -0.120 0.000 1.008 64 A HN 1.198 nan 8.150 nan 0.000 0.497 65 V N 1.672 121.533 119.914 -0.087 0.000 2.487 65 V HA 0.544 4.665 4.120 0.000 0.000 0.298 65 V C 0.663 176.714 176.094 -0.071 0.000 1.028 65 V CA -0.403 61.847 62.300 -0.083 0.000 0.860 65 V CB 1.257 33.032 31.823 -0.080 0.000 0.991 65 V HN 1.262 nan 8.190 nan 0.000 0.427 66 A N 3.888 126.668 122.820 -0.066 0.000 2.548 66 A HA 0.581 4.901 4.320 0.000 0.000 0.247 66 A C 0.856 178.410 177.584 -0.049 0.000 1.067 66 A CA 0.499 52.506 52.037 -0.050 0.000 0.757 66 A CB 0.018 18.988 19.000 -0.049 0.000 0.996 66 A HN 1.511 nan 8.150 nan 0.000 0.504 67 A N 3.587 126.380 122.820 -0.046 0.000 2.477 67 A HA 0.500 4.821 4.320 0.000 0.000 0.246 67 A C 1.087 178.628 177.584 -0.071 0.000 1.078 67 A CA 0.449 52.448 52.037 -0.063 0.000 0.770 67 A CB -0.408 18.544 19.000 -0.080 0.000 1.011 67 A HN 1.515 nan 8.150 nan 0.000 0.494 68 T N 0.206 114.724 114.554 -0.060 0.000 2.816 68 T HA 0.248 4.598 4.350 0.000 0.000 0.282 68 T C 0.502 175.148 174.700 -0.090 0.000 0.993 68 T CA 0.043 62.108 62.100 -0.058 0.000 0.994 68 T CB 0.528 69.377 68.868 -0.032 0.000 1.025 68 T HN 0.531 nan 8.240 nan 0.000 0.529 69 D N 0.986 121.338 120.400 -0.080 0.000 2.116 69 D HA -0.108 4.532 4.640 0.000 0.000 0.193 69 D C 2.363 178.616 176.300 -0.078 0.000 0.998 69 D CA 1.897 55.840 54.000 -0.095 0.000 0.836 69 D CB -0.907 39.857 40.800 -0.061 0.000 0.951 69 D HN 0.752 nan 8.370 nan 0.000 0.449 70 A N 1.092 123.885 122.820 -0.044 0.000 1.940 70 A HA -0.209 4.111 4.320 0.000 0.000 0.219 70 A C 1.839 179.414 177.584 -0.015 0.000 1.176 70 A CA 1.811 53.835 52.037 -0.022 0.000 0.631 70 A CB -0.418 18.579 19.000 -0.005 0.000 0.814 70 A HN 0.067 nan 8.150 nan 0.000 0.446 71 D N 0.058 120.447 120.400 -0.018 0.000 2.097 71 D HA -0.130 4.510 4.640 0.000 0.000 0.195 71 D C 1.865 178.144 176.300 -0.034 0.000 0.989 71 D CA 1.122 55.124 54.000 0.004 0.000 0.827 71 D CB -0.251 40.545 40.800 -0.007 0.000 0.966 71 D HN 0.338 nan 8.370 nan 0.000 0.456 72 I N 0.801 121.297 120.570 -0.125 0.000 2.315 72 I HA -0.149 4.022 4.170 0.000 0.000 0.248 72 I C 2.403 178.476 176.117 -0.073 0.000 1.117 72 I CA 0.611 61.791 61.300 -0.201 0.000 1.404 72 I CB -0.935 36.744 38.000 -0.535 0.000 1.071 72 I HN 0.041 nan 8.210 nan 0.000 0.419 73 L N 0.084 121.271 121.223 -0.061 0.000 2.456 73 L HA -0.094 4.246 4.340 0.000 0.000 0.224 73 L C 2.536 179.408 176.870 0.003 0.000 1.148 73 L CA 0.545 55.373 54.840 -0.019 0.000 0.825 73 L CB -0.471 41.579 42.059 -0.016 0.000 0.937 73 L HN 0.188 nan 8.230 nan 0.000 0.450 74 R N -0.043 120.457 120.500 -0.001 0.000 2.152 74 R HA -0.087 4.253 4.340 0.000 0.000 0.232 74 R C 2.012 178.275 176.300 -0.062 0.000 1.117 74 R CA 1.325 57.426 56.100 0.002 0.000 0.981 74 R CB -0.165 30.164 30.300 0.048 0.000 0.870 74 R HN 0.361 nan 8.270 nan 0.000 0.451 75 A N -0.603 122.153 122.820 -0.106 0.000 2.127 75 A HA 0.162 4.483 4.320 0.000 0.000 0.204 75 A C 0.048 177.387 177.584 -0.407 0.000 1.243 75 A CA 0.037 51.889 52.037 -0.307 0.000 0.887 75 A CB 0.311 19.110 19.000 -0.336 0.000 0.933 75 A HN 0.205 nan 8.150 nan 0.000 0.479 76 H N -0.680 118.340 119.070 -0.083 0.000 2.834 76 H HA 0.526 5.082 4.556 0.001 0.000 0.369 76 H C 0.184 175.181 175.328 -0.551 0.000 1.174 76 H CA -0.022 55.825 56.048 -0.335 0.000 1.165 76 H CB 1.697 31.465 29.762 0.009 0.000 1.820 76 H HN 0.249 nan 8.280 nan 0.000 0.558 77 S N 0.485 115.806 115.700 -0.631 0.000 2.603 77 S HA 0.324 4.795 4.470 0.000 0.000 0.268 77 S C 1.363 175.941 174.600 -0.036 0.000 1.317 77 S CA -0.244 57.775 58.200 -0.301 0.000 1.012 77 S CB 1.404 64.489 63.200 -0.191 0.000 0.926 77 S HN 0.811 nan 8.310 nan 0.000 0.539 78 A N 2.464 125.282 122.820 -0.002 0.000 1.933 78 A HA 0.144 4.464 4.320 0.000 0.000 0.218 78 A C 2.396 179.990 177.584 0.017 0.000 1.175 78 A CA 1.746 53.788 52.037 0.008 0.000 0.628 78 A CB -1.645 17.362 19.000 0.012 0.000 0.814 78 A HN 1.393 nan 8.150 nan 0.000 0.444 79 A N -0.875 121.964 122.820 0.031 0.000 1.933 79 A HA -0.181 4.139 4.320 0.000 0.000 0.218 79 A C 2.039 179.660 177.584 0.062 0.000 1.175 79 A CA 2.164 54.224 52.037 0.039 0.000 0.628 79 A CB -0.828 18.198 19.000 0.044 0.000 0.814 79 A HN 0.768 nan 8.150 nan 0.000 0.444 80 H N -0.483 118.579 119.070 -0.014 0.000 2.326 80 H HA -0.070 4.486 4.556 0.000 0.000 0.301 80 H C 1.768 177.121 175.328 0.043 0.000 1.081 80 H CA 1.735 57.780 56.048 -0.005 0.000 1.334 80 H CB -0.381 29.369 29.762 -0.020 0.000 1.385 80 H HN 0.294 nan 8.280 nan 0.000 0.504 81 L N 0.776 121.947 121.223 -0.088 0.000 2.012 81 L HA -0.116 4.224 4.340 0.000 0.000 0.210 81 L C 2.296 179.122 176.870 -0.074 0.000 1.073 81 L CA 2.361 57.150 54.840 -0.084 0.000 0.748 81 L CB -0.956 41.072 42.059 -0.052 0.000 0.891 81 L HN 0.349 nan 8.230 nan 0.000 0.431 82 E N -0.199 119.972 120.200 -0.047 0.000 2.110 82 E HA -0.272 4.079 4.350 0.000 0.000 0.193 82 E C 2.076 178.648 176.600 -0.046 0.000 0.988 82 E CA 1.513 57.892 56.400 -0.034 0.000 0.804 82 E CB -0.420 29.270 29.700 -0.016 0.000 0.745 82 E HN 0.613 nan 8.360 nan 0.000 0.458 83 N N -0.882 117.783 118.700 -0.058 0.000 2.188 83 N HA -0.118 4.622 4.740 0.000 0.000 0.184 83 N C 1.445 176.898 175.510 -0.095 0.000 1.018 83 N CA 1.385 54.403 53.050 -0.054 0.000 0.858 83 N CB -0.039 38.438 38.487 -0.016 0.000 0.989 83 N HN 0.144 nan 8.380 nan 0.000 0.426 84 M N 0.523 120.018 119.600 -0.175 0.000 2.175 84 M HA -0.052 4.428 4.480 0.000 0.000 0.264 84 M C 1.737 177.982 176.300 -0.092 0.000 1.063 84 M CA 1.252 56.440 55.300 -0.187 0.000 1.119 84 M CB -0.807 31.604 32.600 -0.314 0.000 1.377 84 M HN 0.160 nan 8.290 nan 0.000 0.415 85 K N -0.326 120.042 120.400 -0.054 0.000 2.057 85 K HA -0.148 4.172 4.320 0.000 0.000 0.207 85 K C 2.182 178.762 176.600 -0.032 0.000 1.049 85 K CA 1.106 57.375 56.287 -0.029 0.000 0.931 85 K CB -0.225 32.263 32.500 -0.019 0.000 0.714 85 K HN 0.256 nan 8.250 nan 0.000 0.440 86 R N 1.114 121.593 120.500 -0.035 0.000 2.080 86 R HA -0.149 4.191 4.340 0.000 0.000 0.236 86 R C 2.067 178.349 176.300 -0.030 0.000 1.137 86 R CA 1.598 57.682 56.100 -0.028 0.000 0.943 86 R CB -0.273 30.012 30.300 -0.025 0.000 0.846 86 R HN -0.005 nan 8.270 nan 0.000 0.431 87 V N 0.256 120.145 119.914 -0.041 0.000 2.358 87 V HA -0.197 3.924 4.120 0.000 0.000 0.246 87 V C 2.383 178.453 176.094 -0.039 0.000 1.047 87 V CA 1.998 64.274 62.300 -0.040 0.000 1.035 87 V CB -0.461 31.331 31.823 -0.051 0.000 0.658 87 V HN 0.448 nan 8.190 nan 0.000 0.452 88 S N 0.451 116.124 115.700 -0.045 0.000 2.400 88 S HA -0.202 4.268 4.470 0.000 0.000 0.232 88 S C 1.818 176.404 174.600 -0.023 0.000 1.025 88 S CA 1.628 59.806 58.200 -0.036 0.000 0.993 88 S CB -0.447 62.733 63.200 -0.035 0.000 0.808 88 S HN 0.633 nan 8.310 nan 0.000 0.478 89 N N 0.937 119.624 118.700 -0.021 0.000 2.457 89 N HA 0.149 4.889 4.740 0.000 0.000 0.180 89 N C 0.211 175.713 175.510 -0.014 0.000 1.050 89 N CA 0.169 53.210 53.050 -0.015 0.000 0.906 89 N CB -0.337 38.142 38.487 -0.014 0.000 0.968 89 N HN 0.452 nan 8.380 nan 0.000 0.445 90 L N 1.403 122.616 121.223 -0.017 0.000 2.461 90 L HA 0.058 4.398 4.340 0.000 0.000 0.272 90 L C -0.932 175.930 176.870 -0.013 0.000 1.197 90 L CA -1.227 53.604 54.840 -0.014 0.000 0.836 90 L CB 0.192 42.241 42.059 -0.016 0.000 1.105 90 L HN -0.097 nan 8.230 nan 0.000 0.477 91 P HA -0.135 nan 4.420 nan 0.000 0.216 91 P C 0.900 178.192 177.300 -0.012 0.000 1.150 91 P CA 1.294 64.389 63.100 -0.010 0.000 0.837 91 P CB 0.102 31.797 31.700 -0.008 0.000 0.786 92 T N -5.591 108.955 114.554 -0.014 0.000 3.252 92 T HA 0.566 4.917 4.350 0.000 0.000 0.286 92 T C 0.926 175.613 174.700 -0.022 0.000 1.013 92 T CA 0.013 62.102 62.100 -0.018 0.000 0.914 92 T CB -0.365 68.494 68.868 -0.016 0.000 1.131 92 T HN 0.296 nan 8.240 nan 0.000 0.529 93 G N 0.482 109.269 108.800 -0.022 0.000 2.575 93 G HA2 0.304 4.264 3.960 0.000 0.000 0.267 93 G HA3 0.304 4.264 3.960 0.000 0.000 0.267 93 G C 0.131 175.015 174.900 -0.026 0.000 1.264 93 G CA -0.325 44.758 45.100 -0.028 0.000 0.935 93 G HN 1.882 nan 8.290 nan 0.000 0.568 94 G N -1.742 107.040 108.800 -0.031 0.000 2.315 94 G HA2 0.557 4.518 3.960 0.000 0.000 0.294 94 G HA3 0.557 4.518 3.960 0.000 0.000 0.294 94 G C -1.202 173.683 174.900 -0.025 0.000 1.300 94 G CA 0.602 45.688 45.100 -0.024 0.000 0.843 94 G HN 1.325 nan 8.290 nan 0.000 0.527 95 D N -0.848 119.545 120.400 -0.012 0.000 2.399 95 D HA 0.419 5.059 4.640 0.000 0.000 0.241 95 D C 1.779 178.073 176.300 -0.009 0.000 1.133 95 D CA 0.802 54.799 54.000 -0.005 0.000 0.890 95 D CB 1.074 41.880 40.800 0.010 0.000 1.201 95 D HN 0.550 nan 8.370 nan 0.000 0.432 96 T N 0.263 114.813 114.554 -0.007 0.000 3.086 96 T HA 0.412 4.762 4.350 0.000 0.000 0.250 96 T C 1.243 175.948 174.700 0.008 0.000 1.074 96 T CA 0.246 62.340 62.100 -0.011 0.000 0.988 96 T CB 0.373 69.225 68.868 -0.026 0.000 0.988 96 T HN 0.586 nan 8.240 nan 0.000 0.530 97 G N 2.323 111.129 108.800 0.010 0.000 3.514 97 G HA2 -0.166 3.794 3.960 0.000 0.000 0.197 97 G HA3 -0.166 3.794 3.960 0.000 0.000 0.197 97 G C 0.618 175.525 174.900 0.011 0.000 1.098 97 G CA 0.334 45.441 45.100 0.011 0.000 0.884 97 G HN 0.557 nan 8.290 nan 0.000 0.433 98 D N 1.299 121.708 120.400 0.015 0.000 2.339 98 D HA 0.373 5.013 4.640 0.000 0.000 0.217 98 D C 1.812 178.128 176.300 0.026 0.000 1.050 98 D CA 0.965 54.976 54.000 0.018 0.000 0.856 98 D CB -0.191 40.622 40.800 0.022 0.000 0.922 98 D HN 1.650 nan 8.370 nan 0.000 0.518 99 G N 1.384 110.202 108.800 0.030 0.000 2.199 99 G HA2 -0.301 3.659 3.960 0.000 0.000 0.254 99 G HA3 -0.301 3.659 3.960 0.000 0.000 0.254 99 G C 0.833 175.770 174.900 0.062 0.000 0.982 99 G CA 0.431 45.553 45.100 0.038 0.000 0.632 99 G HN 0.685 nan 8.290 nan 0.000 0.529 100 I N -2.518 118.095 120.570 0.073 0.000 4.102 100 I HA 0.491 4.661 4.170 0.000 0.000 0.325 100 I C -0.033 176.226 176.117 0.237 0.000 1.471 100 I CA 0.055 61.445 61.300 0.149 0.000 1.133 100 I CB 1.078 39.127 38.000 0.080 0.000 1.184 100 I HN -0.072 nan 8.210 nan 0.000 0.451 101 T N 2.892 117.527 114.554 0.134 0.000 3.150 101 T HA 0.430 4.780 4.350 0.000 0.000 0.383 101 T C -0.375 174.344 174.700 0.032 0.000 1.313 101 T CA -0.241 61.938 62.100 0.132 0.000 1.235 101 T CB 0.787 69.714 68.868 0.098 0.000 1.088 101 T HN 0.218 nan 8.240 nan 0.000 0.556 102 M N 4.121 123.708 119.600 -0.023 0.000 2.250 102 M HA 0.640 5.121 4.480 0.000 0.000 0.344 102 M C -0.444 175.805 176.300 -0.085 0.000 1.150 102 M CA -0.558 54.701 55.300 -0.068 0.000 1.147 102 M CB 0.566 33.095 32.600 -0.118 0.000 1.498 102 M HN 0.651 nan 8.290 nan 0.000 0.461 103 M N 4.052 123.607 119.600 -0.075 0.000 2.393 103 M HA 0.719 5.200 4.480 0.000 0.000 0.299 103 M C -0.561 175.700 176.300 -0.065 0.000 1.103 103 M CA -0.543 54.708 55.300 -0.080 0.000 0.910 103 M CB 1.760 34.307 32.600 -0.088 0.000 1.659 103 M HN 0.766 nan 8.290 nan 0.000 0.445 104 G N 2.332 111.096 108.800 -0.060 0.000 2.616 104 G HA2 0.163 4.123 3.960 0.000 0.000 0.268 104 G HA3 0.163 4.123 3.960 0.000 0.000 0.268 104 G C -0.606 174.276 174.900 -0.030 0.000 1.213 104 G CA -0.729 44.345 45.100 -0.044 0.000 0.926 104 G HN 0.924 nan 8.290 nan 0.000 0.523 105 N N -0.538 118.150 118.700 -0.021 0.000 2.359 105 N HA 0.309 5.049 4.740 0.000 0.000 0.261 105 N C 1.432 176.941 175.510 -0.002 0.000 1.267 105 N CA 1.705 54.748 53.050 -0.012 0.000 0.864 105 N CB 0.340 38.822 38.487 -0.007 0.000 1.063 105 N HN 1.196 nan 8.380 nan 0.000 0.474 106 G N 1.920 110.717 108.800 -0.006 0.000 2.189 106 G HA2 -0.281 3.680 3.960 0.000 0.000 0.267 106 G HA3 -0.281 3.680 3.960 0.000 0.000 0.267 106 G C 1.033 175.930 174.900 -0.004 0.000 0.975 106 G CA 0.596 45.695 45.100 -0.001 0.000 0.644 106 G HN 0.923 nan 8.290 nan 0.000 0.537 107 G N 0.217 109.007 108.800 -0.015 0.000 2.479 107 G HA2 0.055 4.016 3.960 0.000 0.000 0.220 107 G HA3 0.055 4.016 3.960 0.000 0.000 0.220 107 G C 1.683 176.565 174.900 -0.030 0.000 1.115 107 G CA 1.527 46.612 45.100 -0.024 0.000 0.757 107 G HN 1.060 nan 8.290 nan 0.000 0.560 108 L N 0.741 121.949 121.223 -0.026 0.000 2.127 108 L HA -0.016 4.324 4.340 0.000 0.000 0.211 108 L C 2.500 179.393 176.870 0.039 0.000 1.089 108 L CA 2.479 57.321 54.840 0.004 0.000 0.757 108 L CB -0.500 41.569 42.059 0.016 0.000 0.899 108 L HN 0.446 nan 8.230 nan 0.000 0.434 109 E N -0.217 119.989 120.200 0.010 0.000 2.085 109 E HA -0.255 4.095 4.350 0.000 0.000 0.194 109 E C 2.153 178.752 176.600 -0.002 0.000 0.994 109 E CA 2.052 58.450 56.400 -0.003 0.000 0.801 109 E CB -0.237 29.446 29.700 -0.028 0.000 0.743 109 E HN 0.688 nan 8.360 nan 0.000 0.453 110 I N 0.789 121.358 120.570 -0.002 0.000 2.252 110 I HA -0.199 3.971 4.170 0.000 0.000 0.245 110 I C 2.656 178.808 176.117 0.057 0.000 1.102 110 I CA 0.886 62.195 61.300 0.015 0.000 1.385 110 I CB -0.454 37.554 38.000 0.013 0.000 1.064 110 I HN 0.148 nan 8.210 nan 0.000 0.414 111 A N 1.220 124.067 122.820 0.045 0.000 1.933 111 A HA -0.194 4.126 4.320 0.000 0.000 0.218 111 A C 2.431 180.144 177.584 0.216 0.000 1.175 111 A CA 1.460 53.551 52.037 0.090 0.000 0.628 111 A CB -0.573 18.412 19.000 -0.024 0.000 0.814 111 A HN 0.333 nan 8.150 nan 0.000 0.444 112 R N -0.710 119.900 120.500 0.182 0.000 2.096 112 R HA -0.027 4.313 4.340 0.000 0.000 0.235 112 R C 1.956 178.294 176.300 0.064 0.000 1.127 112 R CA 1.413 57.581 56.100 0.113 0.000 0.968 112 R CB -0.470 29.860 30.300 0.050 0.000 0.861 112 R HN 0.505 nan 8.270 nan 0.000 0.440 113 L N -0.068 121.194 121.223 0.065 0.000 2.156 113 L HA -0.113 4.227 4.340 0.000 0.000 0.208 113 L C 2.633 179.626 176.870 0.204 0.000 1.095 113 L CA 0.862 55.749 54.840 0.078 0.000 0.770 113 L CB -0.328 41.733 42.059 0.002 0.000 0.914 113 L HN 0.183 nan 8.230 nan 0.000 0.439 114 S N -0.093 115.704 115.700 0.162 0.000 2.345 114 S HA -0.155 4.315 4.470 0.000 0.000 0.220 114 S C 2.175 176.761 174.600 -0.024 0.000 1.031 114 S CA 1.243 59.407 58.200 -0.060 0.000 0.996 114 S CB -0.079 63.020 63.200 -0.169 0.000 0.882 114 S HN 0.412 nan 8.310 nan 0.000 0.445 115 A N 0.725 123.576 122.820 0.052 0.000 1.902 115 A HA 0.134 4.455 4.320 0.000 0.000 0.217 115 A C 2.329 179.913 177.584 0.000 0.000 1.181 115 A CA 1.774 53.841 52.037 0.050 0.000 0.623 115 A CB -1.564 17.495 19.000 0.098 0.000 0.818 115 A HN 0.643 nan 8.150 nan 0.000 0.443 116 G N -0.803 107.995 108.800 -0.003 0.000 2.443 116 G HA2 0.102 4.062 3.960 0.000 0.000 0.219 116 G HA3 0.102 4.062 3.960 0.000 0.000 0.219 116 G C 1.440 176.310 174.900 -0.050 0.000 1.131 116 G CA 1.159 46.232 45.100 -0.045 0.000 0.775 116 G HN 0.675 nan 8.290 nan 0.000 0.547 117 G N 1.136 109.938 108.800 0.004 0.000 2.418 117 G HA2 0.057 4.017 3.960 0.000 0.000 0.217 117 G HA3 0.057 4.017 3.960 0.000 0.000 0.217 117 G C 2.023 176.902 174.900 -0.036 0.000 1.158 117 G CA 1.451 46.560 45.100 0.015 0.000 0.771 117 G HN 0.575 nan 8.290 nan 0.000 0.545 118 A N 0.124 122.914 122.820 -0.050 0.000 1.902 118 A HA 0.094 4.414 4.320 0.000 0.000 0.217 118 A C 2.605 180.141 177.584 -0.081 0.000 1.181 118 A CA 1.773 53.772 52.037 -0.063 0.000 0.623 118 A CB -0.650 18.318 19.000 -0.054 0.000 0.818 118 A HN 0.243 nan 8.150 nan 0.000 0.443 119 V N 0.081 119.928 119.914 -0.112 0.000 2.295 119 V HA -0.212 3.908 4.120 0.000 0.000 0.246 119 V C 2.663 178.583 176.094 -0.290 0.000 1.049 119 V CA 2.184 64.344 62.300 -0.234 0.000 1.024 119 V CB -0.648 30.995 31.823 -0.300 0.000 0.648 119 V HN 0.506 nan 8.190 nan 0.000 0.447 120 E N -0.235 119.845 120.200 -0.201 0.000 2.077 120 E HA -0.188 4.162 4.350 0.000 0.000 0.193 120 E C 2.069 178.612 176.600 -0.096 0.000 0.989 120 E CA 1.116 57.419 56.400 -0.161 0.000 0.800 120 E CB -0.338 29.299 29.700 -0.105 0.000 0.746 120 E HN 0.454 nan 8.360 nan 0.000 0.452 121 L N 0.744 121.929 121.223 -0.064 0.000 2.056 121 L HA -0.095 4.246 4.340 0.000 0.000 0.207 121 L C 2.175 179.039 176.870 -0.011 0.000 1.078 121 L CA 1.764 56.594 54.840 -0.018 0.000 0.749 121 L CB -0.866 41.193 42.059 -0.001 0.000 0.901 121 L HN 0.019 nan 8.230 nan 0.000 0.433 122 T N -0.319 114.215 114.554 -0.033 0.000 2.720 122 T HA -0.237 4.113 4.350 0.000 0.000 0.268 122 T C 1.991 176.715 174.700 0.040 0.000 1.037 122 T CA 1.704 63.805 62.100 0.002 0.000 1.144 122 T CB -0.264 68.609 68.868 0.008 0.000 0.864 122 T HN 0.357 nan 8.240 nan 0.000 0.444 123 R N 0.863 121.362 120.500 -0.001 0.000 2.073 123 R HA -0.059 4.281 4.340 0.000 0.000 0.234 123 R C 2.498 178.840 176.300 0.069 0.000 1.134 123 R CA 1.406 57.557 56.100 0.085 0.000 0.952 123 R CB -0.051 30.238 30.300 -0.018 0.000 0.850 123 R HN 0.331 nan 8.270 nan 0.000 0.433 124 R N -0.363 120.156 120.500 0.032 0.000 2.115 124 R HA -0.018 4.322 4.340 0.000 0.000 0.226 124 R C 2.289 178.617 176.300 0.048 0.000 1.100 124 R CA 1.130 57.253 56.100 0.039 0.000 0.980 124 R CB -0.083 30.236 30.300 0.031 0.000 0.875 124 R HN 0.100 nan 8.270 nan 0.000 0.445 125 V N 1.067 121.011 119.914 0.049 0.000 2.283 125 V HA -0.179 3.942 4.120 0.000 0.000 0.243 125 V C 2.413 178.536 176.094 0.049 0.000 1.039 125 V CA 1.970 64.301 62.300 0.053 0.000 1.016 125 V CB -0.648 31.207 31.823 0.054 0.000 0.650 125 V HN 0.372 nan 8.190 nan 0.000 0.449 126 A N -1.005 121.847 122.820 0.052 0.000 2.024 126 A HA -0.232 4.088 4.320 0.000 0.000 0.220 126 A C 2.334 179.944 177.584 0.044 0.000 1.164 126 A CA 2.368 54.433 52.037 0.048 0.000 0.643 126 A CB -0.783 18.254 19.000 0.063 0.000 0.806 126 A HN 0.474 nan 8.150 nan 0.000 0.451 127 T N -1.612 112.974 114.554 0.052 0.000 3.055 127 T HA 0.296 4.646 4.350 0.000 0.000 0.265 127 T C 1.433 176.155 174.700 0.036 0.000 1.111 127 T CA 1.522 63.649 62.100 0.045 0.000 1.118 127 T CB -0.184 68.716 68.868 0.054 0.000 0.909 127 T HN 1.410 nan 8.240 nan 0.000 0.501 128 G N 1.151 109.974 108.800 0.038 0.000 2.175 128 G HA2 -0.262 3.699 3.960 0.000 0.000 0.244 128 G HA3 -0.262 3.699 3.960 0.000 0.000 0.244 128 G C 0.707 175.629 174.900 0.037 0.000 0.982 128 G CA 0.698 45.819 45.100 0.035 0.000 0.641 128 G HN 0.554 nan 8.290 nan 0.000 0.527 129 E N -0.494 119.729 120.200 0.039 0.000 2.106 129 E HA 0.140 4.491 4.350 0.000 0.000 0.192 129 E C 1.020 177.647 176.600 0.045 0.000 0.984 129 E CA 0.580 57.003 56.400 0.039 0.000 0.806 129 E CB -0.015 29.707 29.700 0.037 0.000 0.750 129 E HN 0.603 nan 8.360 nan 0.000 0.458 130 L N -0.150 121.104 121.223 0.052 0.000 2.323 130 L HA 0.220 4.560 4.340 0.000 0.000 0.265 130 L C 1.140 178.050 176.870 0.066 0.000 1.012 130 L CA -0.380 54.498 54.840 0.063 0.000 0.820 130 L CB 1.957 44.059 42.059 0.073 0.000 1.334 130 L HN -0.022 nan 8.230 nan 0.000 0.427 131 S N 0.058 115.803 115.700 0.075 0.000 2.458 131 S HA 0.461 4.932 4.470 0.000 0.000 0.223 131 S C 0.470 175.127 174.600 0.096 0.000 1.019 131 S CA 0.352 58.599 58.200 0.078 0.000 0.937 131 S CB 0.350 63.596 63.200 0.076 0.000 0.788 131 S HN 0.780 nan 8.310 nan 0.000 0.511 132 A N -0.876 122.015 122.820 0.117 0.000 2.483 132 A HA 0.778 5.098 4.320 0.000 0.000 0.294 132 A C -0.349 177.342 177.584 0.179 0.000 1.077 132 A CA -0.386 51.744 52.037 0.156 0.000 0.633 132 A CB 0.489 19.607 19.000 0.197 0.000 1.318 132 A HN 1.304 nan 8.150 nan 0.000 0.455 133 G N -1.814 107.129 108.800 0.239 0.000 2.506 133 G HA2 0.582 4.543 3.960 0.000 0.000 0.292 133 G HA3 0.582 4.543 3.960 0.000 0.000 0.292 133 G C -2.281 172.823 174.900 0.340 0.000 1.425 133 G CA -0.307 44.947 45.100 0.256 0.000 0.788 133 G HN 1.584 nan 8.290 nan 0.000 0.490 134 Y N 0.552 120.998 120.300 0.243 0.000 2.346 134 Y HA 0.610 5.160 4.550 0.000 0.000 0.332 134 Y C 0.022 176.006 175.900 0.140 0.000 0.985 134 Y CA -0.645 57.609 58.100 0.257 0.000 1.112 134 Y CB 1.960 40.588 38.460 0.281 0.000 1.170 134 Y HN 0.845 nan 8.280 nan 0.000 0.447 135 A N 6.303 129.114 122.820 -0.015 0.000 2.280 135 A HA 0.432 4.753 4.320 0.000 0.000 0.320 135 A C -1.303 176.317 177.584 0.060 0.000 1.366 135 A CA -0.578 51.456 52.037 -0.004 0.000 0.938 135 A CB 0.190 19.148 19.000 -0.070 0.000 1.157 135 A HN 0.667 nan 8.150 nan 0.000 0.536 136 L N 5.696 127.019 121.223 0.166 0.000 2.466 136 L HA 0.366 4.707 4.340 0.000 0.000 0.248 136 L C 0.213 177.144 176.870 0.101 0.000 1.240 136 L CA -0.106 54.898 54.840 0.274 0.000 1.180 136 L CB -0.276 41.896 42.059 0.189 0.000 1.413 136 L HN 0.552 nan 8.230 nan 0.000 0.406 137 V N 1.327 121.122 119.914 -0.198 0.000 2.997 137 V HA 0.750 4.870 4.120 0.000 0.000 0.311 137 V C -0.173 175.555 176.094 -0.609 0.000 1.066 137 V CA -0.618 61.165 62.300 -0.861 0.000 1.039 137 V CB 1.780 33.221 31.823 -0.636 0.000 1.081 137 V HN 0.758 nan 8.190 nan 0.000 0.467 138 N N 1.488 119.670 118.700 -0.862 0.000 2.516 138 N HA 0.550 5.290 4.740 0.000 0.000 0.268 138 N C -3.242 172.105 175.510 -0.272 0.000 1.096 138 N CA -1.109 51.741 53.050 -0.332 0.000 0.954 138 N CB 2.829 41.245 38.487 -0.119 0.000 1.676 138 N HN 0.620 nan 8.380 nan 0.000 0.490 139 P HA 0.321 nan 4.420 nan 0.000 0.274 139 P C -2.695 174.581 177.300 -0.039 0.000 1.246 139 P CA -0.841 62.227 63.100 -0.053 0.000 0.795 139 P CB 0.221 31.903 31.700 -0.030 0.000 1.006 140 P HA 0.174 nan 4.420 nan 0.000 0.289 140 P C 0.428 177.784 177.300 0.093 0.000 1.299 140 P CA 0.087 63.218 63.100 0.052 0.000 0.766 140 P CB 0.509 32.283 31.700 0.123 0.000 1.226 141 G N -1.731 107.134 108.800 0.108 0.000 2.599 141 G HA2 -0.030 3.930 3.960 0.000 0.000 0.196 141 G HA3 -0.030 3.930 3.960 0.000 0.000 0.196 141 G C 1.044 176.066 174.900 0.204 0.000 1.148 141 G CA 0.299 45.491 45.100 0.154 0.000 0.809 141 G HN 0.725 nan 8.290 nan 0.000 0.764 142 H N -1.591 117.450 119.070 -0.048 0.000 2.546 142 H HA 0.163 4.719 4.556 0.000 0.000 0.277 142 H C 1.727 176.997 175.328 -0.096 0.000 1.004 142 H CA 0.748 56.743 56.048 -0.088 0.000 1.231 142 H CB -0.037 29.636 29.762 -0.148 0.000 1.382 142 H HN 0.270 nan 8.280 nan 0.000 0.580 143 H N 0.817 119.845 119.070 -0.070 0.000 2.553 143 H HA 0.382 4.938 4.556 0.000 0.000 0.265 143 H C 0.578 175.875 175.328 -0.051 0.000 0.964 143 H CA 0.445 56.397 56.048 -0.161 0.000 1.156 143 H CB 0.184 29.913 29.762 -0.055 0.000 1.411 143 H HN 0.508 nan 8.280 nan 0.000 0.558 144 A N 3.887 126.786 122.820 0.132 0.000 2.347 144 A HA 0.317 4.637 4.320 0.000 0.000 0.287 144 A C -2.025 175.633 177.584 0.124 0.000 1.199 144 A CA -1.173 50.926 52.037 0.104 0.000 0.851 144 A CB 0.595 19.676 19.000 0.136 0.000 1.118 144 A HN 0.059 nan 8.150 nan 0.000 0.525 145 P HA 0.126 nan 4.420 nan 0.000 0.302 145 P C 0.521 177.859 177.300 0.063 0.000 1.307 145 P CA -0.183 62.922 63.100 0.009 0.000 0.754 145 P CB 0.621 32.295 31.700 -0.043 0.000 1.298 146 H N 0.483 119.499 119.070 -0.090 0.000 2.387 146 H HA -0.140 4.416 4.556 0.001 0.000 0.299 146 H C 1.196 176.575 175.328 0.084 0.000 1.099 146 H CA 2.577 58.580 56.048 -0.074 0.000 1.315 146 H CB -0.272 29.410 29.762 -0.133 0.000 1.380 146 H HN 0.334 nan 8.280 nan 0.000 0.513 147 N N -0.173 118.517 118.700 -0.017 0.000 2.235 147 N HA 0.295 5.035 4.740 0.000 0.000 0.231 147 N C -0.765 174.636 175.510 -0.181 0.000 1.177 147 N CA 0.374 53.380 53.050 -0.074 0.000 0.874 147 N CB 0.749 39.250 38.487 0.023 0.000 1.097 147 N HN 0.369 nan 8.380 nan 0.000 0.518 148 A N -0.638 121.918 122.820 -0.441 0.000 2.610 148 A HA 0.829 5.149 4.320 0.000 0.000 0.291 148 A C -1.412 175.814 177.584 -0.597 0.000 1.086 148 A CA -0.521 51.257 52.037 -0.431 0.000 0.677 148 A CB 0.700 19.610 19.000 -0.150 0.000 1.278 148 A HN 0.345 nan 8.150 nan 0.000 0.414 149 A N 0.730 123.439 122.820 -0.186 0.000 2.293 149 A HA 0.863 5.184 4.320 0.000 0.000 0.302 149 A C -0.197 177.373 177.584 -0.023 0.000 1.119 149 A CA -0.156 51.855 52.037 -0.042 0.000 0.823 149 A CB 0.720 19.749 19.000 0.048 0.000 1.097 149 A HN 1.670 nan 8.150 nan 0.000 0.491 150 M N 1.325 120.936 119.600 0.019 0.000 2.490 150 M HA 0.480 4.961 4.480 0.000 0.000 0.286 150 M C 0.261 176.596 176.300 0.059 0.000 1.185 150 M CA 0.751 56.074 55.300 0.037 0.000 0.912 150 M CB 1.771 34.388 32.600 0.028 0.000 1.744 150 M HN 2.014 nan 8.290 nan 0.000 0.494 151 G N 3.310 112.065 108.800 -0.075 0.000 2.366 151 G HA2 -0.274 3.686 3.960 0.000 0.000 0.299 151 G HA3 -0.274 3.686 3.960 0.000 0.000 0.299 151 G C 0.134 174.863 174.900 -0.285 0.000 1.020 151 G CA 0.825 45.655 45.100 -0.450 0.000 1.026 151 G HN 1.191 nan 8.290 nan 0.000 0.512 152 F N -4.661 115.305 119.950 0.026 0.000 2.656 152 F HA -0.309 4.219 4.527 0.000 0.000 0.381 152 F C 1.335 177.165 175.800 0.051 0.000 0.603 152 F CA 0.189 58.214 58.000 0.041 0.000 1.335 152 F CB -1.970 37.090 39.000 0.100 0.000 1.836 152 F HN 0.533 nan 8.300 nan 0.000 0.290 153 C N 2.272 121.702 119.300 0.216 0.000 2.295 153 C HA 0.472 4.932 4.460 0.000 0.000 0.331 153 C C 1.811 176.813 174.990 0.020 0.000 1.280 153 C CA -0.832 58.269 59.018 0.137 0.000 1.746 153 C CB 0.697 28.547 27.740 0.184 0.000 2.328 153 C HN 0.224 nan 8.230 nan 0.000 0.521 154 I N 0.866 121.379 120.570 -0.095 0.000 2.512 154 I HA 0.250 4.421 4.170 0.000 0.000 0.247 154 I C 0.242 176.078 176.117 -0.467 0.000 1.094 154 I CA 1.185 62.274 61.300 -0.351 0.000 1.427 154 I CB -0.569 37.090 38.000 -0.568 0.000 1.149 154 I HN 0.394 nan 8.210 nan 0.000 0.438 155 F N 0.439 120.406 119.950 0.029 0.000 2.577 155 F HA 0.381 4.908 4.527 0.001 0.000 0.318 155 F C 0.656 176.575 175.800 0.198 0.000 1.065 155 F CA -1.541 56.471 58.000 0.021 0.000 0.929 155 F CB 0.474 39.492 39.000 0.030 0.000 1.237 155 F HN -0.141 nan 8.300 nan 0.000 0.468 156 N N 2.505 121.606 118.700 0.669 0.000 2.555 156 N HA 0.031 4.771 4.740 0.000 0.000 0.244 156 N C 0.551 176.227 175.510 0.277 0.000 1.114 156 N CA 0.184 53.457 53.050 0.372 0.000 0.963 156 N CB 0.071 38.729 38.487 0.285 0.000 1.276 156 N HN 0.544 nan 8.380 nan 0.000 0.510 157 N N 1.171 119.989 118.700 0.195 0.000 2.061 157 N HA -0.182 4.558 4.740 0.000 0.000 0.193 157 N C 1.590 177.153 175.510 0.088 0.000 1.030 157 N CA 2.031 55.152 53.050 0.119 0.000 0.856 157 N CB -0.446 38.065 38.487 0.040 0.000 1.023 157 N HN 0.632 nan 8.380 nan 0.000 0.424 158 T N -2.105 112.494 114.554 0.076 0.000 2.951 158 T HA 0.067 4.417 4.350 0.000 0.000 0.268 158 T C 2.089 176.873 174.700 0.139 0.000 1.073 158 T CA 1.104 63.234 62.100 0.050 0.000 1.134 158 T CB -0.275 68.590 68.868 -0.006 0.000 0.884 158 T HN -0.002 nan 8.240 nan 0.000 0.479 159 S N 0.925 116.767 115.700 0.237 0.000 2.395 159 S HA 0.045 4.516 4.470 0.000 0.000 0.225 159 S C 2.201 176.999 174.600 0.330 0.000 1.027 159 S CA 0.756 59.213 58.200 0.427 0.000 0.965 159 S CB -0.409 63.012 63.200 0.368 0.000 0.812 159 S HN 0.393 nan 8.310 nan 0.000 0.482 160 V N 2.266 122.298 119.914 0.197 0.000 2.343 160 V HA -0.216 3.904 4.120 0.000 0.000 0.247 160 V C 2.675 178.869 176.094 0.168 0.000 1.051 160 V CA 1.782 64.174 62.300 0.154 0.000 1.036 160 V CB -1.229 30.658 31.823 0.106 0.000 0.654 160 V HN 0.533 nan 8.190 nan 0.000 0.451 161 A N 0.050 122.947 122.820 0.127 0.000 1.877 161 A HA -0.122 4.199 4.320 0.000 0.000 0.216 161 A C 2.436 180.111 177.584 0.151 0.000 1.186 161 A CA 2.166 54.266 52.037 0.105 0.000 0.620 161 A CB -0.859 18.159 19.000 0.030 0.000 0.822 161 A HN 0.578 nan 8.150 nan 0.000 0.443 162 A N -0.541 122.357 122.820 0.131 0.000 1.933 162 A HA 0.117 4.437 4.320 0.000 0.000 0.218 162 A C 2.399 180.071 177.584 0.146 0.000 1.175 162 A CA 1.922 53.986 52.037 0.046 0.000 0.628 162 A CB -1.363 17.553 19.000 -0.140 0.000 0.814 162 A HN 0.755 nan 8.150 nan 0.000 0.444 163 G N -1.863 107.143 108.800 0.344 0.000 2.422 163 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 163 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 163 G C 1.531 176.553 174.900 0.203 0.000 1.146 163 G CA 1.230 46.544 45.100 0.356 0.000 0.769 163 G HN 0.613 nan 8.290 nan 0.000 0.547 164 Y N 1.828 122.179 120.300 0.085 0.000 2.163 164 Y HA 0.073 4.624 4.550 0.001 0.000 0.288 164 Y C 2.903 178.819 175.900 0.028 0.000 1.136 164 Y CA 1.499 59.625 58.100 0.044 0.000 1.147 164 Y CB -0.267 38.209 38.460 0.028 0.000 0.987 164 Y HN 0.233 nan 8.280 nan 0.000 0.509 165 A N 0.844 123.749 122.820 0.142 0.000 1.933 165 A HA -0.153 4.167 4.320 0.000 0.000 0.218 165 A C 2.285 179.835 177.584 -0.058 0.000 1.175 165 A CA 1.545 53.603 52.037 0.035 0.000 0.628 165 A CB -0.472 18.564 19.000 0.060 0.000 0.814 165 A HN 0.402 nan 8.150 nan 0.000 0.444 166 R N -0.573 119.909 120.500 -0.030 0.000 2.055 166 R HA -0.006 4.334 4.340 0.000 0.000 0.228 166 R C 2.496 178.765 176.300 -0.052 0.000 1.143 166 R CA 1.561 57.642 56.100 -0.031 0.000 0.945 166 R CB -1.094 29.219 30.300 0.022 0.000 0.841 166 R HN 0.503 nan 8.270 nan 0.000 0.429 167 A N 0.252 123.041 122.820 -0.052 0.000 1.898 167 A HA -0.024 4.296 4.320 0.000 0.000 0.214 167 A C 2.395 179.886 177.584 -0.155 0.000 1.183 167 A CA 1.163 53.158 52.037 -0.070 0.000 0.622 167 A CB -0.250 18.732 19.000 -0.029 0.000 0.824 167 A HN 0.110 nan 8.150 nan 0.000 0.444 168 V N -0.282 119.442 119.914 -0.317 0.000 2.492 168 V HA -0.022 4.099 4.120 0.000 0.000 0.241 168 V C 2.358 178.259 176.094 -0.322 0.000 1.041 168 V CA 1.223 63.276 62.300 -0.411 0.000 1.057 168 V CB -0.533 30.786 31.823 -0.839 0.000 0.711 168 V HN 0.497 nan 8.190 nan 0.000 0.468 169 L N 0.508 121.527 121.223 -0.341 0.000 2.313 169 L HA 0.233 4.574 4.340 0.000 0.000 0.214 169 L C 1.810 178.617 176.870 -0.104 0.000 1.119 169 L CA 1.120 55.858 54.840 -0.169 0.000 0.809 169 L CB -0.634 41.365 42.059 -0.100 0.000 0.933 169 L HN 0.596 nan 8.230 nan 0.000 0.449 170 G N 0.109 108.847 108.800 -0.104 0.000 2.136 170 G HA2 -0.284 3.676 3.960 0.000 0.000 0.242 170 G HA3 -0.284 3.676 3.960 0.000 0.000 0.242 170 G C 0.293 175.157 174.900 -0.059 0.000 0.989 170 G CA -0.209 44.849 45.100 -0.071 0.000 0.682 170 G HN 0.197 nan 8.290 nan 0.000 0.522 171 M N 0.542 120.105 119.600 -0.060 0.000 2.252 171 M HA 0.153 4.634 4.480 0.000 0.000 0.348 171 M C 1.539 177.800 176.300 -0.065 0.000 1.334 171 M CA 0.283 55.549 55.300 -0.057 0.000 1.071 171 M CB 0.410 32.980 32.600 -0.051 0.000 1.763 171 M HN 0.172 nan 8.290 nan 0.000 0.452 172 E N 2.652 122.807 120.200 -0.075 0.000 2.112 172 E HA 0.019 4.370 4.350 0.000 0.000 0.190 172 E C 0.134 176.670 176.600 -0.106 0.000 0.979 172 E CA 1.090 57.437 56.400 -0.088 0.000 0.814 172 E CB 0.289 29.929 29.700 -0.100 0.000 0.762 172 E HN 0.591 nan 8.360 nan 0.000 0.460 173 R N 0.190 120.619 120.500 -0.118 0.000 2.564 173 R HA 0.506 4.846 4.340 0.000 0.000 0.284 173 R C -1.220 175.060 176.300 -0.033 0.000 1.031 173 R CA -0.386 55.646 56.100 -0.113 0.000 0.904 173 R CB 2.620 32.701 30.300 -0.365 0.000 1.199 173 R HN -0.170 nan 8.270 nan 0.000 0.443 174 V N 1.462 121.391 119.914 0.024 0.000 2.789 174 V HA 0.746 4.866 4.120 0.000 0.000 0.311 174 V C -0.655 175.442 176.094 0.005 0.000 1.073 174 V CA -0.881 61.402 62.300 -0.029 0.000 0.921 174 V CB 2.038 33.764 31.823 -0.163 0.000 1.009 174 V HN 0.901 nan 8.190 nan 0.000 0.426 175 A N 4.857 127.665 122.820 -0.019 0.000 2.331 175 A HA 0.897 5.217 4.320 0.000 0.000 0.320 175 A C -0.847 176.645 177.584 -0.154 0.000 1.138 175 A CA -0.500 51.475 52.037 -0.102 0.000 0.790 175 A CB 0.765 19.747 19.000 -0.030 0.000 1.206 175 A HN 0.757 nan 8.150 nan 0.000 0.470 176 I N 3.071 123.532 120.570 -0.181 0.000 2.354 176 I HA 0.246 4.416 4.170 0.000 0.000 0.286 176 I C -0.803 175.242 176.117 -0.120 0.000 1.007 176 I CA -0.604 60.601 61.300 -0.157 0.000 1.167 176 I CB 1.518 39.440 38.000 -0.130 0.000 1.320 176 I HN 0.556 nan 8.210 nan 0.000 0.458 177 L N 7.168 128.299 121.223 -0.153 0.000 2.265 177 L HA 0.487 4.828 4.340 0.000 0.000 0.289 177 L C -0.666 176.110 176.870 -0.157 0.000 1.033 177 L CA 0.143 54.921 54.840 -0.103 0.000 0.814 177 L CB 1.047 43.047 42.059 -0.097 0.000 1.203 177 L HN 0.430 nan 8.230 nan 0.000 0.423 178 D N 4.538 124.928 120.400 -0.017 0.000 2.441 178 D HA 0.208 4.848 4.640 0.000 0.000 0.231 178 D C -0.245 176.162 176.300 0.178 0.000 1.073 178 D CA -0.499 53.494 54.000 -0.012 0.000 0.850 178 D CB 0.589 41.447 40.800 0.097 0.000 1.062 178 D HN 0.591 nan 8.370 nan 0.000 0.524 179 W N 3.425 124.792 121.300 0.111 0.000 3.239 179 W HA 0.362 5.022 4.660 0.000 0.000 0.368 179 W C 0.104 176.724 176.519 0.169 0.000 1.154 179 W CA -0.997 56.468 57.345 0.201 0.000 1.860 179 W CB -0.772 28.840 29.460 0.253 0.000 1.094 179 W HN 0.144 nan 8.180 nan 0.000 0.643 180 D N 1.496 122.062 120.400 0.277 0.000 2.506 180 D HA -0.148 4.493 4.640 0.000 0.000 0.234 180 D C 1.313 177.812 176.300 0.333 0.000 1.143 180 D CA 0.448 54.566 54.000 0.197 0.000 0.871 180 D CB 2.156 42.887 40.800 -0.115 0.000 1.190 180 D HN 0.066 nan 8.370 nan 0.000 0.459 181 V N 4.022 124.077 119.914 0.234 0.000 2.913 181 V HA -0.150 3.970 4.120 0.000 0.000 0.260 181 V C 0.278 176.439 176.094 0.112 0.000 1.098 181 V CA 1.423 63.817 62.300 0.157 0.000 1.121 181 V CB -0.597 31.228 31.823 0.003 0.000 0.714 181 V HN 0.489 nan 8.190 nan 0.000 0.487 182 H N -0.923 118.451 119.070 0.508 0.000 2.483 182 H HA 0.428 4.985 4.556 0.000 0.000 0.338 182 H C -0.069 175.533 175.328 0.457 0.000 1.152 182 H CA -0.546 55.815 56.048 0.523 0.000 1.264 182 H CB 0.616 30.773 29.762 0.658 0.000 1.510 182 H HN 0.373 nan 8.280 nan 0.000 0.530 183 H N 1.034 120.220 119.070 0.193 0.000 3.004 183 H HA 0.079 4.635 4.556 0.000 0.000 0.316 183 H C 0.748 176.030 175.328 -0.076 0.000 1.014 183 H CA -0.278 55.623 56.048 -0.246 0.000 1.454 183 H CB 0.438 29.847 29.762 -0.588 0.000 1.472 183 H HN 0.871 nan 8.280 nan 0.000 0.571 184 G N 5.176 113.756 108.800 -0.368 0.000 3.090 184 G HA2 -0.127 3.833 3.960 0.000 0.000 0.259 184 G HA3 -0.127 3.833 3.960 0.000 0.000 0.259 184 G C 1.043 175.555 174.900 -0.646 0.000 0.797 184 G CA -0.015 44.828 45.100 -0.429 0.000 2.032 184 G HN 0.905 nan 8.290 nan 0.000 0.614 185 N N 0.987 119.231 118.700 -0.759 0.000 2.244 185 N HA -0.106 4.635 4.740 0.000 0.000 0.183 185 N C 2.099 177.488 175.510 -0.202 0.000 1.016 185 N CA 1.302 54.041 53.050 -0.519 0.000 0.866 185 N CB -0.512 37.827 38.487 -0.247 0.000 0.980 185 N HN 0.275 nan 8.380 nan 0.000 0.430 186 G N 0.810 109.528 108.800 -0.137 0.000 2.433 186 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 186 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 186 G C 1.497 176.397 174.900 0.000 0.000 1.186 186 G CA 1.653 46.731 45.100 -0.037 0.000 0.779 186 G HN 0.419 nan 8.290 nan 0.000 0.543 187 T N 0.385 114.963 114.554 0.040 0.000 2.788 187 T HA -0.148 4.203 4.350 0.000 0.000 0.268 187 T C 2.265 177.112 174.700 0.245 0.000 1.044 187 T CA 1.567 63.775 62.100 0.180 0.000 1.139 187 T CB -0.224 68.762 68.868 0.197 0.000 0.867 187 T HN 0.477 nan 8.240 nan 0.000 0.454 188 Q N 0.953 120.845 119.800 0.153 0.000 2.084 188 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 188 Q C 2.074 178.239 176.000 0.275 0.000 0.978 188 Q CA 2.011 57.976 55.803 0.269 0.000 0.844 188 Q CB -0.237 28.647 28.738 0.243 0.000 0.898 188 Q HN 0.545 nan 8.270 nan 0.000 0.426 189 D N -0.096 120.345 120.400 0.068 0.000 2.097 189 D HA -0.164 4.476 4.640 0.000 0.000 0.195 189 D C 1.831 178.123 176.300 -0.012 0.000 0.989 189 D CA 1.624 55.603 54.000 -0.035 0.000 0.827 189 D CB -0.149 40.589 40.800 -0.104 0.000 0.966 189 D HN 0.398 nan 8.370 nan 0.000 0.456 190 I N -0.832 119.673 120.570 -0.109 0.000 2.208 190 I HA -0.191 3.979 4.170 0.000 0.000 0.245 190 I C 1.104 176.929 176.117 -0.486 0.000 1.097 190 I CA 1.029 62.085 61.300 -0.407 0.000 1.363 190 I CB -0.201 37.414 38.000 -0.642 0.000 1.051 190 I HN 0.225 nan 8.210 nan 0.000 0.413 191 W N -0.534 120.827 121.300 0.101 0.000 3.223 191 W HA 0.104 4.765 4.660 0.000 0.000 0.389 191 W C 1.886 178.506 176.519 0.169 0.000 1.118 191 W CA -0.736 56.667 57.345 0.098 0.000 1.902 191 W CB -0.424 29.073 29.460 0.061 0.000 1.094 191 W HN 0.191 nan 8.180 nan 0.000 0.666 192 W N 1.848 123.221 121.300 0.122 0.000 2.305 192 W HA -0.266 4.395 4.660 0.001 0.000 0.308 192 W C 0.786 177.375 176.519 0.116 0.000 1.226 192 W CA 1.569 58.977 57.345 0.107 0.000 1.253 192 W CB -0.132 29.358 29.460 0.050 0.000 1.146 192 W HN -0.111 nan 8.180 nan 0.000 0.507 193 N N 0.450 119.264 118.700 0.190 0.000 2.270 193 N HA -0.027 4.713 4.740 0.000 0.000 0.198 193 N C -0.896 174.655 175.510 0.069 0.000 1.117 193 N CA 0.662 53.750 53.050 0.063 0.000 0.845 193 N CB -0.045 38.505 38.487 0.104 0.000 0.980 193 N HN 0.026 nan 8.380 nan 0.000 0.486 194 D N 0.827 121.303 120.400 0.127 0.000 2.471 194 D HA 0.197 4.838 4.640 0.000 0.000 0.245 194 D C -1.870 174.463 176.300 0.055 0.000 1.116 194 D CA -1.879 52.206 54.000 0.142 0.000 0.853 194 D CB 2.396 43.398 40.800 0.336 0.000 1.123 194 D HN -0.025 nan 8.370 nan 0.000 0.540 195 P HA -0.029 nan 4.420 nan 0.000 0.241 195 P C 0.852 177.998 177.300 -0.255 0.000 1.191 195 P CA 0.296 63.138 63.100 -0.430 0.000 0.771 195 P CB 0.281 31.570 31.700 -0.685 0.000 0.929 196 S N -1.357 114.287 115.700 -0.094 0.000 2.558 196 S HA 0.111 4.581 4.470 0.000 0.000 0.217 196 S C 0.653 175.205 174.600 -0.079 0.000 0.975 196 S CA -0.126 58.045 58.200 -0.049 0.000 0.912 196 S CB -0.530 62.642 63.200 -0.047 0.000 0.776 196 S HN -0.085 nan 8.310 nan 0.000 0.526 197 V N 2.747 122.546 119.914 -0.191 0.000 2.380 197 V HA 0.457 4.577 4.120 0.000 0.000 0.286 197 V C -0.660 175.239 176.094 -0.325 0.000 1.015 197 V CA -0.846 61.195 62.300 -0.431 0.000 0.834 197 V CB 1.289 32.370 31.823 -1.238 0.000 1.009 197 V HN 0.473 nan 8.190 nan 0.000 0.428 198 L N 6.176 127.135 121.223 -0.439 0.000 2.361 198 L HA 0.591 4.931 4.340 0.000 0.000 0.278 198 L C 0.648 177.348 176.870 -0.283 0.000 1.113 198 L CA 0.767 55.301 54.840 -0.511 0.000 0.849 198 L CB 1.156 42.532 42.059 -1.139 0.000 1.155 198 L HN 0.824 nan 8.230 nan 0.000 0.452 199 T N 4.086 118.564 114.554 -0.128 0.000 2.758 199 T HA 0.675 5.025 4.350 0.000 0.000 0.285 199 T C -0.138 174.570 174.700 0.013 0.000 0.981 199 T CA -0.492 61.592 62.100 -0.027 0.000 0.965 199 T CB 0.529 69.458 68.868 0.103 0.000 0.927 199 T HN 0.467 nan 8.240 nan 0.000 0.448 200 I N 2.500 123.082 120.570 0.020 0.000 2.465 200 I HA 0.532 4.703 4.170 0.000 0.000 0.291 200 I C -0.024 176.180 176.117 0.144 0.000 1.014 200 I CA -0.850 60.489 61.300 0.066 0.000 1.093 200 I CB 2.217 40.234 38.000 0.028 0.000 1.267 200 I HN 0.669 nan 8.210 nan 0.000 0.431 201 S N 7.263 123.104 115.700 0.234 0.000 2.707 201 S HA 0.612 5.082 4.470 0.000 0.000 0.303 201 S C -0.794 174.027 174.600 0.368 0.000 1.132 201 S CA -0.637 57.786 58.200 0.373 0.000 1.046 201 S CB 0.614 64.136 63.200 0.537 0.000 1.004 201 S HN 0.442 nan 8.310 nan 0.000 0.483 202 L N 7.132 128.541 121.223 0.311 0.000 2.312 202 L HA 0.666 5.006 4.340 0.000 0.000 0.281 202 L C 0.205 177.250 176.870 0.293 0.000 1.070 202 L CA -0.659 54.273 54.840 0.154 0.000 0.805 202 L CB 0.707 42.889 42.059 0.205 0.000 1.174 202 L HN 0.763 nan 8.230 nan 0.000 0.434 203 H N 1.198 120.381 119.070 0.189 0.000 3.037 203 H HA 0.149 4.705 4.556 0.000 0.000 0.336 203 H C -1.536 173.894 175.328 0.171 0.000 1.323 203 H CA -0.988 55.201 56.048 0.235 0.000 1.159 203 H CB 1.547 31.480 29.762 0.286 0.000 1.882 203 H HN 0.598 nan 8.280 nan 0.000 0.535 204 Q N 1.732 121.718 119.800 0.310 0.000 2.289 204 Q HA -0.012 4.329 4.340 0.000 0.000 0.273 204 Q C -0.525 175.652 176.000 0.296 0.000 1.029 204 Q CA -0.201 55.741 55.803 0.233 0.000 0.896 204 Q CB 0.315 29.175 28.738 0.203 0.000 1.182 204 Q HN 0.584 nan 8.270 nan 0.000 0.385 205 H N 5.485 124.613 119.070 0.097 0.000 3.107 205 H HA -0.046 4.511 4.556 0.001 0.000 0.301 205 H C 0.408 175.759 175.328 0.037 0.000 0.981 205 H CA 1.250 57.331 56.048 0.055 0.000 1.443 205 H CB -0.096 29.646 29.762 -0.033 0.000 1.479 205 H HN 0.828 nan 8.280 nan 0.000 0.564 206 L N 3.004 124.029 121.223 -0.331 0.000 4.232 206 L HA -0.404 3.937 4.340 0.000 0.000 0.415 206 L C 1.967 178.794 176.870 -0.071 0.000 1.168 206 L CA 0.685 55.319 54.840 -0.343 0.000 0.966 206 L CB -2.245 39.499 42.059 -0.524 0.000 2.052 206 L HN 0.651 nan 8.230 nan 0.000 0.887 207 C N -0.126 119.229 119.300 0.092 0.000 2.508 207 C HA 0.100 4.560 4.460 0.000 0.000 0.280 207 C C 0.955 176.138 174.990 0.321 0.000 1.262 207 C CA 1.383 60.540 59.018 0.231 0.000 1.706 207 C CB -0.022 27.917 27.740 0.332 0.000 2.078 207 C HN 0.489 nan 8.230 nan 0.000 0.480 208 F N 0.404 120.451 119.950 0.162 0.000 2.654 208 F HA 0.525 5.053 4.527 0.001 0.000 0.314 208 F C -2.776 173.003 175.800 -0.035 0.000 1.116 208 F CA -1.737 56.240 58.000 -0.037 0.000 1.017 208 F CB 0.936 39.792 39.000 -0.240 0.000 1.285 208 F HN -0.033 nan 8.300 nan 0.000 0.448 209 P HA 0.298 nan 4.420 nan 0.000 0.274 209 P C -2.680 174.297 177.300 -0.539 0.000 1.256 209 P CA -1.063 61.268 63.100 -1.283 0.000 0.795 209 P CB 0.102 31.232 31.700 -0.949 0.000 1.038 210 P HA 0.004 nan 4.420 nan 0.000 0.272 210 P C -0.098 177.098 177.300 -0.173 0.000 1.230 210 P CA 0.428 63.396 63.100 -0.221 0.000 0.788 210 P CB 0.005 31.617 31.700 -0.146 0.000 0.949 211 D N -1.393 118.948 120.400 -0.098 0.000 2.751 211 D HA -0.169 4.472 4.640 0.000 0.000 0.233 211 D C -0.792 175.559 176.300 0.084 0.000 1.149 211 D CA 1.280 55.314 54.000 0.056 0.000 0.682 211 D CB -1.352 39.471 40.800 0.038 0.000 1.068 211 D HN 0.391 nan 8.370 nan 0.000 0.429 212 S N -1.657 113.994 115.700 -0.081 0.000 2.556 212 S HA 0.628 5.098 4.470 0.000 0.000 0.271 212 S C 0.690 175.071 174.600 -0.365 0.000 1.135 212 S CA 0.707 58.859 58.200 -0.080 0.000 0.858 212 S CB 1.646 64.823 63.200 -0.037 0.000 1.114 212 S HN 1.089 nan 8.310 nan 0.000 0.468 213 G N 1.533 109.981 108.800 -0.586 0.000 2.141 213 G HA2 -0.202 3.759 3.960 0.000 0.000 0.231 213 G HA3 -0.202 3.759 3.960 0.000 0.000 0.231 213 G C -0.253 174.555 174.900 -0.153 0.000 0.984 213 G CA 0.112 44.611 45.100 -1.000 0.000 0.660 213 G HN 0.712 nan 8.290 nan 0.000 0.525 214 Y N 1.376 121.684 120.300 0.013 0.000 2.578 214 Y HA 0.274 4.825 4.550 0.000 0.000 0.339 214 Y C 2.111 178.045 175.900 0.057 0.000 1.231 214 Y CA 0.773 58.925 58.100 0.087 0.000 1.461 214 Y CB 0.844 39.356 38.460 0.086 0.000 1.323 214 Y HN 0.293 nan 8.280 nan 0.000 0.590 215 S N -1.573 114.235 115.700 0.180 0.000 2.555 215 S HA -0.136 4.334 4.470 0.000 0.000 0.230 215 S C 1.506 176.169 174.600 0.104 0.000 0.978 215 S CA 0.824 59.084 58.200 0.101 0.000 0.934 215 S CB -0.884 62.334 63.200 0.030 0.000 0.766 215 S HN 0.862 nan 8.310 nan 0.000 0.533 216 T N -0.579 114.063 114.554 0.146 0.000 3.085 216 T HA 0.099 4.450 4.350 0.000 0.000 0.263 216 T C 0.368 175.170 174.700 0.170 0.000 1.127 216 T CA 0.145 62.317 62.100 0.119 0.000 1.103 216 T CB -0.552 68.366 68.868 0.084 0.000 0.921 216 T HN 0.513 nan 8.240 nan 0.000 0.510 217 E N 1.528 121.872 120.200 0.240 0.000 1.932 217 E HA 0.257 4.607 4.350 0.000 0.000 0.275 217 E C 0.556 177.317 176.600 0.268 0.000 1.159 217 E CA -0.230 56.417 56.400 0.411 0.000 0.905 217 E CB 0.410 30.368 29.700 0.431 0.000 1.059 217 E HN 0.435 nan 8.360 nan 0.000 0.400 218 R N 2.171 122.685 120.500 0.022 0.000 2.508 218 R HA 0.230 4.570 4.340 0.000 0.000 0.300 218 R C 0.548 176.485 176.300 -0.605 0.000 0.970 218 R CA 0.011 55.940 56.100 -0.286 0.000 1.102 218 R CB 1.081 31.141 30.300 -0.400 0.000 1.246 218 R HN 0.628 nan 8.270 nan 0.000 0.539 219 G N 0.871 108.948 108.800 -1.206 0.000 2.685 219 G HA2 0.074 4.034 3.960 0.000 0.000 0.387 219 G HA3 0.074 4.034 3.960 0.000 0.000 0.387 219 G C -1.125 173.088 174.900 -1.146 0.000 1.324 219 G CA -0.561 43.583 45.100 -1.594 0.000 0.878 219 G HN 0.379 nan 8.290 nan 0.000 0.527 220 A N -1.114 121.208 122.820 -0.829 0.000 2.587 220 A HA 1.188 5.508 4.320 0.000 0.000 0.293 220 A C 1.318 178.844 177.584 -0.096 0.000 1.087 220 A CA 1.355 53.223 52.037 -0.281 0.000 0.692 220 A CB 1.018 19.940 19.000 -0.131 0.000 1.291 220 A HN 3.078 nan 8.150 nan 0.000 0.407 221 G N 1.324 110.116 108.800 -0.012 0.000 2.596 221 G HA2 -0.376 3.584 3.960 0.000 0.000 0.295 221 G HA3 -0.376 3.584 3.960 0.000 0.000 0.295 221 G C 0.717 175.641 174.900 0.041 0.000 1.240 221 G CA 1.005 46.112 45.100 0.012 0.000 0.985 221 G HN 1.156 nan 8.290 nan 0.000 0.555 222 N N 1.222 119.944 118.700 0.037 0.000 2.364 222 N HA 0.065 4.805 4.740 0.000 0.000 0.183 222 N C 2.167 177.726 175.510 0.081 0.000 1.022 222 N CA 1.081 54.160 53.050 0.049 0.000 0.883 222 N CB -0.201 38.293 38.487 0.012 0.000 0.965 222 N HN 0.745 nan 8.380 nan 0.000 0.438 223 G N -0.468 108.366 108.800 0.058 0.000 2.813 223 G HA2 -0.144 3.817 3.960 0.000 0.000 0.209 223 G HA3 -0.144 3.817 3.960 0.000 0.000 0.209 223 G C 0.079 175.043 174.900 0.107 0.000 1.150 223 G CA -0.141 45.008 45.100 0.081 0.000 0.785 223 G HN 0.369 nan 8.290 nan 0.000 0.535 224 H N -0.040 119.015 119.070 -0.025 0.000 3.046 224 H HA 0.373 4.930 4.556 0.000 0.000 0.303 224 H C 1.473 176.745 175.328 -0.094 0.000 1.002 224 H CA 1.184 57.166 56.048 -0.110 0.000 1.460 224 H CB 0.336 30.038 29.762 -0.100 0.000 1.493 224 H HN 0.197 nan 8.280 nan 0.000 0.559 225 G N 3.688 112.086 108.800 -0.669 0.000 2.176 225 G HA2 -0.287 3.673 3.960 0.000 0.000 0.232 225 G HA3 -0.287 3.673 3.960 0.000 0.000 0.232 225 G C 0.125 174.534 174.900 -0.818 0.000 0.986 225 G CA 0.345 45.033 45.100 -0.686 0.000 0.643 225 G HN 0.633 nan 8.290 nan 0.000 0.522 226 Y N 0.937 121.104 120.300 -0.221 0.000 2.696 226 Y HA 0.417 4.968 4.550 0.000 0.000 0.260 226 Y C 0.816 176.610 175.900 -0.177 0.000 1.165 226 Y CA -0.474 57.508 58.100 -0.195 0.000 1.189 226 Y CB 0.584 38.961 38.460 -0.138 0.000 1.180 226 Y HN 0.293 nan 8.280 nan 0.000 0.538 227 N N 1.162 119.798 118.700 -0.107 0.000 2.352 227 N HA 0.451 5.191 4.740 0.000 0.000 0.291 227 N C -1.683 173.805 175.510 -0.036 0.000 1.040 227 N CA -0.234 52.808 53.050 -0.013 0.000 0.864 227 N CB 1.300 39.828 38.487 0.068 0.000 1.440 227 N HN 0.100 nan 8.380 nan 0.000 0.483 228 I N 2.501 123.078 120.570 0.013 0.000 2.439 228 I HA 0.267 4.437 4.170 0.000 0.000 0.285 228 I C -0.585 175.593 176.117 0.101 0.000 1.021 228 I CA -0.662 60.645 61.300 0.012 0.000 1.091 228 I CB 1.593 39.571 38.000 -0.037 0.000 1.242 228 I HN 0.374 nan 8.210 nan 0.000 0.439 229 N N 5.004 123.781 118.700 0.128 0.000 2.438 229 N HA 0.451 5.191 4.740 0.000 0.000 0.282 229 N C -0.826 174.702 175.510 0.031 0.000 1.037 229 N CA -0.553 52.615 53.050 0.197 0.000 0.942 229 N CB 2.310 40.938 38.487 0.236 0.000 1.136 229 N HN 0.223 nan 8.380 nan 0.000 0.481 230 V N 3.615 123.479 119.914 -0.082 0.000 2.225 230 V HA 0.290 4.410 4.120 0.000 0.000 0.264 230 V C -2.199 173.626 176.094 -0.448 0.000 1.067 230 V CA -1.577 60.603 62.300 -0.199 0.000 0.903 230 V CB 0.227 31.968 31.823 -0.136 0.000 1.136 230 V HN 0.598 nan 8.190 nan 0.000 0.456 231 P HA 0.361 nan 4.420 nan 0.000 0.276 231 P C -0.710 176.434 177.300 -0.260 0.000 1.235 231 P CA 0.045 62.888 63.100 -0.428 0.000 0.772 231 P CB 1.458 33.042 31.700 -0.193 0.000 0.871 232 L N 5.070 126.187 121.223 -0.177 0.000 2.354 232 L HA 0.531 4.871 4.340 0.000 0.000 0.269 232 L C -2.221 174.643 176.870 -0.009 0.000 1.005 232 L CA -2.828 51.936 54.840 -0.127 0.000 0.819 232 L CB 2.469 44.401 42.059 -0.213 0.000 1.311 232 L HN 0.167 nan 8.230 nan 0.000 0.423 233 P HA 0.205 nan 4.420 nan 0.000 0.275 233 P C -2.636 174.704 177.300 0.067 0.000 1.228 233 P CA -1.618 61.510 63.100 0.045 0.000 0.786 233 P CB -0.179 31.534 31.700 0.021 0.000 0.927 234 P HA 0.004 nan 4.420 nan 0.000 0.266 234 P C 1.110 178.452 177.300 0.071 0.000 1.186 234 P CA 1.500 64.653 63.100 0.089 0.000 0.767 234 P CB -0.155 31.594 31.700 0.082 0.000 0.820 235 G N 1.074 109.920 108.800 0.078 0.000 2.176 235 G HA2 -0.236 3.724 3.960 0.000 0.000 0.253 235 G HA3 -0.236 3.724 3.960 0.000 0.000 0.253 235 G C 0.313 175.251 174.900 0.062 0.000 0.979 235 G CA -0.018 45.117 45.100 0.059 0.000 0.641 235 G HN 0.584 nan 8.290 nan 0.000 0.530 236 S N 0.730 116.483 115.700 0.089 0.000 2.549 236 S HA 0.570 5.040 4.470 0.000 0.000 0.283 236 S C 0.990 175.690 174.600 0.166 0.000 1.320 236 S CA 0.470 58.732 58.200 0.104 0.000 1.058 236 S CB 1.471 64.720 63.200 0.081 0.000 0.882 236 S HN 1.247 nan 8.310 nan 0.000 0.498 237 G N 1.903 110.779 108.800 0.127 0.000 3.252 237 G HA2 0.256 4.216 3.960 0.000 0.000 0.181 237 G HA3 0.256 4.216 3.960 0.000 0.000 0.181 237 G C 0.508 175.473 174.900 0.108 0.000 1.187 237 G CA -0.516 44.637 45.100 0.088 0.000 0.886 237 G HN 0.529 nan 8.290 nan 0.000 0.615 238 N N 0.395 119.095 118.700 -0.001 0.000 2.104 238 N HA -0.127 4.613 4.740 0.000 0.000 0.190 238 N C 2.355 177.888 175.510 0.039 0.000 1.024 238 N CA 1.530 54.567 53.050 -0.022 0.000 0.853 238 N CB -0.542 37.914 38.487 -0.052 0.000 1.008 238 N HN 0.464 nan 8.380 nan 0.000 0.424 239 A N 0.947 123.784 122.820 0.029 0.000 1.877 239 A HA 0.003 4.323 4.320 0.000 0.000 0.216 239 A C 2.381 179.993 177.584 0.047 0.000 1.186 239 A CA 2.100 54.152 52.037 0.025 0.000 0.620 239 A CB -0.982 18.012 19.000 -0.010 0.000 0.822 239 A HN 0.323 nan 8.150 nan 0.000 0.443 240 A N -1.553 121.293 122.820 0.043 0.000 1.877 240 A HA -0.089 4.231 4.320 0.000 0.000 0.216 240 A C 2.115 179.691 177.584 -0.013 0.000 1.186 240 A CA 1.633 53.676 52.037 0.010 0.000 0.620 240 A CB -0.843 18.135 19.000 -0.036 0.000 0.822 240 A HN 0.577 nan 8.150 nan 0.000 0.443 241 Y N 0.036 120.318 120.300 -0.030 0.000 2.181 241 Y HA -0.128 4.423 4.550 0.000 0.000 0.288 241 Y C 2.247 178.129 175.900 -0.030 0.000 1.146 241 Y CA 1.690 59.758 58.100 -0.053 0.000 1.164 241 Y CB -0.311 38.060 38.460 -0.148 0.000 0.982 241 Y HN 0.181 nan 8.280 nan 0.000 0.515 242 L N -1.470 119.823 121.223 0.116 0.000 2.093 242 L HA -0.227 4.114 4.340 0.000 0.000 0.208 242 L C 2.276 179.196 176.870 0.083 0.000 1.085 242 L CA 1.484 56.369 54.840 0.076 0.000 0.755 242 L CB -0.590 41.503 42.059 0.057 0.000 0.904 242 L HN 0.266 nan 8.230 nan 0.000 0.435 243 H N 0.206 119.272 119.070 -0.008 0.000 2.387 243 H HA -0.111 4.445 4.556 0.000 0.000 0.299 243 H C 2.155 177.464 175.328 -0.030 0.000 1.090 243 H CA 1.455 57.491 56.048 -0.020 0.000 1.332 243 H CB 0.155 29.899 29.762 -0.031 0.000 1.386 243 H HN 0.277 nan 8.280 nan 0.000 0.516 244 A N 0.370 123.178 122.820 -0.020 0.000 1.930 244 A HA -0.147 4.173 4.320 0.000 0.000 0.217 244 A C 2.279 179.829 177.584 -0.056 0.000 1.175 244 A CA 1.591 53.577 52.037 -0.085 0.000 0.627 244 A CB -0.418 18.505 19.000 -0.127 0.000 0.815 244 A HN 0.371 nan 8.150 nan 0.000 0.443 245 M N 0.123 119.722 119.600 -0.002 0.000 2.086 245 M HA -0.136 4.344 4.480 0.000 0.000 0.261 245 M C 1.383 177.680 176.300 -0.005 0.000 1.067 245 M CA 1.574 56.896 55.300 0.037 0.000 1.116 245 M CB -1.454 31.191 32.600 0.075 0.000 1.348 245 M HN 0.346 nan 8.290 nan 0.000 0.407 246 D N -0.327 120.045 120.400 -0.048 0.000 2.149 246 D HA -0.100 4.541 4.640 0.000 0.000 0.201 246 D C 2.243 178.472 176.300 -0.119 0.000 0.972 246 D CA 0.902 54.861 54.000 -0.068 0.000 0.835 246 D CB -0.113 40.648 40.800 -0.065 0.000 0.966 246 D HN 0.373 nan 8.370 nan 0.000 0.476 247 Q N -0.148 119.524 119.800 -0.213 0.000 2.250 247 Q HA 0.057 4.397 4.340 0.000 0.000 0.200 247 Q C 1.984 177.913 176.000 -0.118 0.000 0.941 247 Q CA 0.525 56.202 55.803 -0.211 0.000 0.872 247 Q CB 0.822 29.349 28.738 -0.352 0.000 0.965 247 Q HN 0.218 nan 8.270 nan 0.000 0.480 248 V N -1.065 118.793 119.914 -0.093 0.000 3.054 248 V HA -0.017 4.104 4.120 0.000 0.000 0.227 248 V C 2.106 178.184 176.094 -0.026 0.000 1.252 248 V CA 0.421 62.687 62.300 -0.058 0.000 1.279 248 V CB -0.008 31.780 31.823 -0.059 0.000 1.118 248 V HN -0.075 nan 8.190 nan 0.000 0.504 249 V N 0.763 120.675 119.914 -0.004 0.000 2.244 249 V HA -0.206 3.914 4.120 0.000 0.000 0.244 249 V C 2.341 178.456 176.094 0.035 0.000 1.042 249 V CA 2.197 64.515 62.300 0.031 0.000 1.006 249 V CB -0.577 31.295 31.823 0.082 0.000 0.641 249 V HN 0.401 nan 8.190 nan 0.000 0.446 250 L N -0.206 121.039 121.223 0.037 0.000 2.017 250 L HA -0.104 4.237 4.340 0.000 0.000 0.208 250 L C 0.080 176.968 176.870 0.030 0.000 1.073 250 L CA 1.638 56.504 54.840 0.043 0.000 0.745 250 L CB -2.040 40.046 42.059 0.045 0.000 0.894 250 L HN 0.341 nan 8.230 nan 0.000 0.432 251 P HA -0.209 nan 4.420 nan 0.000 0.216 251 P C 1.486 178.797 177.300 0.018 0.000 1.150 251 P CA 1.927 65.032 63.100 0.008 0.000 0.843 251 P CB -0.012 31.681 31.700 -0.012 0.000 0.787 252 A N -0.822 122.006 122.820 0.012 0.000 1.898 252 A HA -0.148 4.172 4.320 0.000 0.000 0.216 252 A C 2.221 179.844 177.584 0.065 0.000 1.181 252 A CA 1.367 53.413 52.037 0.014 0.000 0.620 252 A CB -1.600 17.387 19.000 -0.021 0.000 0.819 252 A HN 0.105 nan 8.150 nan 0.000 0.442 253 L N -1.020 120.241 121.223 0.064 0.000 2.017 253 L HA -0.192 4.148 4.340 0.000 0.000 0.208 253 L C 2.862 179.799 176.870 0.112 0.000 1.073 253 L CA 1.520 56.421 54.840 0.103 0.000 0.745 253 L CB -0.506 41.597 42.059 0.073 0.000 0.894 253 L HN 0.342 nan 8.230 nan 0.000 0.432 254 R N -0.115 120.429 120.500 0.073 0.000 2.096 254 R HA -0.124 4.216 4.340 0.000 0.000 0.235 254 R C 2.385 178.722 176.300 0.062 0.000 1.127 254 R CA 1.272 57.406 56.100 0.057 0.000 0.968 254 R CB -0.438 29.885 30.300 0.039 0.000 0.861 254 R HN 0.368 nan 8.270 nan 0.000 0.440 255 A N 0.114 122.981 122.820 0.077 0.000 1.929 255 A HA -0.179 4.142 4.320 0.000 0.000 0.216 255 A C 1.892 179.556 177.584 0.133 0.000 1.176 255 A CA 0.907 52.993 52.037 0.082 0.000 0.628 255 A CB -0.489 18.552 19.000 0.068 0.000 0.816 255 A HN 0.407 nan 8.150 nan 0.000 0.444 256 Y N -0.357 119.961 120.300 0.031 0.000 2.337 256 Y HA 0.044 4.594 4.550 0.001 0.000 0.293 256 Y C 0.439 176.355 175.900 0.025 0.000 1.123 256 Y CA 0.979 59.112 58.100 0.055 0.000 1.201 256 Y CB 0.286 38.784 38.460 0.063 0.000 1.011 256 Y HN 0.327 nan 8.280 nan 0.000 0.545 257 R N 0.095 120.587 120.500 -0.014 0.000 3.152 257 R HA -0.147 4.193 4.340 0.000 0.000 0.252 257 R C -2.791 173.396 176.300 -0.189 0.000 0.930 257 R CA 0.622 56.665 56.100 -0.096 0.000 0.642 257 R CB -2.561 27.668 30.300 -0.118 0.000 1.205 257 R HN 0.354 nan 8.270 nan 0.000 0.452 258 P HA 0.031 nan 4.420 nan 0.000 0.272 258 P C 0.226 177.500 177.300 -0.043 0.000 1.230 258 P CA -0.053 63.033 63.100 -0.024 0.000 0.788 258 P CB 0.567 32.368 31.700 0.168 0.000 0.949 259 Q N -0.163 119.604 119.800 -0.054 0.000 2.425 259 Q HA 0.218 4.558 4.340 0.000 0.000 0.204 259 Q C 0.097 176.084 176.000 -0.021 0.000 0.933 259 Q CA 0.375 56.154 55.803 -0.040 0.000 0.939 259 Q CB 0.120 28.827 28.738 -0.051 0.000 1.044 259 Q HN 0.263 nan 8.270 nan 0.000 0.513 260 L N -0.266 120.946 121.223 -0.018 0.000 2.549 260 L HA 0.454 4.794 4.340 0.000 0.000 0.259 260 L C -1.956 174.892 176.870 -0.035 0.000 0.934 260 L CA -0.549 54.277 54.840 -0.022 0.000 0.865 260 L CB 1.812 43.855 42.059 -0.026 0.000 1.352 260 L HN -0.097 nan 8.230 nan 0.000 0.410 261 I N 5.601 126.137 120.570 -0.057 0.000 2.362 261 I HA 0.467 4.638 4.170 0.000 0.000 0.289 261 I C -0.582 175.429 176.117 -0.178 0.000 0.994 261 I CA -0.387 60.851 61.300 -0.103 0.000 1.158 261 I CB 1.586 39.528 38.000 -0.097 0.000 1.315 261 I HN 0.479 nan 8.210 nan 0.000 0.451 262 I N 6.836 127.285 120.570 -0.202 0.000 2.354 262 I HA 0.339 4.509 4.170 0.000 0.000 0.292 262 I C -0.478 175.418 176.117 -0.369 0.000 0.989 262 I CA -0.808 60.336 61.300 -0.261 0.000 1.188 262 I CB 1.792 39.682 38.000 -0.182 0.000 1.342 262 I HN 0.174 nan 8.210 nan 0.000 0.457 263 V N 5.192 124.763 119.914 -0.571 0.000 2.370 263 V HA 0.377 4.497 4.120 0.000 0.000 0.283 263 V C 0.752 176.481 176.094 -0.609 0.000 1.023 263 V CA -0.638 61.224 62.300 -0.730 0.000 0.857 263 V CB 1.445 32.513 31.823 -1.260 0.000 0.985 263 V HN 0.913 nan 8.190 nan 0.000 0.443 264 G N 2.596 111.092 108.800 -0.506 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 0.298 174.822 174.900 -0.626 0.000 0.965 264 G CA -0.031 44.809 45.100 -0.434 0.000 1.339 264 G HN 0.660 nan 8.290 nan 0.000 0.455 265 S N 2.467 117.822 115.700 -0.574 0.000 2.835 265 S HA 0.567 5.037 4.470 0.000 0.000 0.286 265 S C 0.906 175.190 174.600 -0.527 0.000 1.194 265 S CA -0.309 57.530 58.200 -0.602 0.000 1.031 265 S CB -0.250 62.857 63.200 -0.155 0.000 1.216 265 S HN 0.748 nan 8.310 nan 0.000 0.502 266 G N 2.104 110.643 108.800 -0.434 0.000 2.462 266 G HA2 0.603 4.564 3.960 0.000 0.000 0.319 266 G HA3 0.603 4.564 3.960 0.000 0.000 0.319 266 G C -0.366 174.147 174.900 -0.645 0.000 1.171 266 G CA -0.698 44.150 45.100 -0.420 0.000 0.920 266 G HN 0.686 nan 8.290 nan 0.000 0.499 267 F N -0.488 119.415 119.950 -0.079 0.000 2.735 267 F HA 0.165 4.692 4.527 0.000 0.000 0.308 267 F C 1.194 177.006 175.800 0.019 0.000 1.112 267 F CA -0.561 57.247 58.000 -0.320 0.000 1.235 267 F CB 1.009 39.649 39.000 -0.600 0.000 1.027 267 F HN 0.430 nan 8.300 nan 0.000 0.528 268 D N 0.258 120.788 120.400 0.218 0.000 2.363 268 D HA -0.030 4.611 4.640 0.000 0.000 0.226 268 D C 1.700 178.168 176.300 0.281 0.000 1.020 268 D CA 0.453 54.633 54.000 0.300 0.000 0.892 268 D CB -0.242 40.824 40.800 0.444 0.000 0.900 268 D HN 0.211 nan 8.370 nan 0.000 0.531 269 A N 0.391 123.399 122.820 0.313 0.000 2.238 269 A HA 0.165 4.485 4.320 0.000 0.000 0.208 269 A C 1.261 178.967 177.584 0.204 0.000 1.177 269 A CA 0.044 52.197 52.037 0.194 0.000 0.804 269 A CB -0.544 18.433 19.000 -0.037 0.000 0.823 269 A HN 0.292 nan 8.150 nan 0.000 0.482 270 S N -1.438 114.490 115.700 0.380 0.000 2.593 270 S HA 0.232 4.702 4.470 0.000 0.000 0.269 270 S C 0.999 175.752 174.600 0.255 0.000 1.334 270 S CA 0.261 58.700 58.200 0.397 0.000 1.015 270 S CB 0.423 63.932 63.200 0.516 0.000 0.912 270 S HN 0.327 nan 8.310 nan 0.000 0.541 271 M N 1.613 121.340 119.600 0.212 0.000 2.346 271 M HA 0.115 4.595 4.480 0.000 0.000 0.263 271 M C 0.918 177.275 176.300 0.095 0.000 1.064 271 M CA 1.666 57.025 55.300 0.099 0.000 1.083 271 M CB -0.591 32.017 32.600 0.014 0.000 1.399 271 M HN 0.764 nan 8.290 nan 0.000 0.435 272 L N -1.051 120.261 121.223 0.148 0.000 2.769 272 L HA 0.229 4.569 4.340 0.000 0.000 0.240 272 L C 0.213 177.203 176.870 0.199 0.000 1.163 272 L CA -0.402 54.518 54.840 0.134 0.000 0.962 272 L CB -0.271 41.831 42.059 0.071 0.000 1.258 272 L HN 0.081 nan 8.230 nan 0.000 0.513 273 D N 1.969 122.506 120.400 0.229 0.000 2.350 273 D HA 0.103 4.743 4.640 0.000 0.000 0.249 273 D C -1.447 174.995 176.300 0.238 0.000 1.119 273 D CA -1.289 52.873 54.000 0.271 0.000 0.886 273 D CB 2.166 43.157 40.800 0.319 0.000 1.195 273 D HN -0.013 nan 8.370 nan 0.000 0.437 274 P HA 0.010 nan 4.420 nan 0.000 0.231 274 P C 1.253 178.657 177.300 0.174 0.000 1.168 274 P CA 0.368 63.577 63.100 0.182 0.000 0.779 274 P CB 0.531 32.326 31.700 0.158 0.000 0.844 275 L N -1.419 119.947 121.223 0.238 0.000 2.700 275 L HA 0.428 4.769 4.340 0.000 0.000 0.234 275 L C 0.922 177.998 176.870 0.344 0.000 1.156 275 L CA -0.240 54.738 54.840 0.230 0.000 0.946 275 L CB 0.031 42.157 42.059 0.112 0.000 1.216 275 L HN -0.045 nan 8.230 nan 0.000 0.493 276 A N -0.627 122.350 122.820 0.263 0.000 2.557 276 A HA 0.684 5.004 4.320 0.000 0.000 0.292 276 A C -0.411 177.272 177.584 0.166 0.000 1.139 276 A CA -0.648 51.513 52.037 0.207 0.000 0.665 276 A CB 1.089 20.173 19.000 0.139 0.000 1.285 276 A HN 0.026 nan 8.150 nan 0.000 0.433 277 R N 0.037 120.624 120.500 0.144 0.000 2.652 277 R HA 0.285 4.625 4.340 0.000 0.000 0.372 277 R C -0.388 175.981 176.300 0.115 0.000 1.104 277 R CA -0.114 56.057 56.100 0.118 0.000 1.072 277 R CB 0.089 30.451 30.300 0.102 0.000 1.367 277 R HN 0.666 nan 8.270 nan 0.000 0.577 278 M N -0.050 119.629 119.600 0.132 0.000 2.513 278 M HA 0.422 4.903 4.480 0.000 0.000 0.291 278 M C 0.916 177.267 176.300 0.086 0.000 1.190 278 M CA -0.274 55.105 55.300 0.131 0.000 0.960 278 M CB 0.834 33.541 32.600 0.178 0.000 1.517 278 M HN -0.073 nan 8.290 nan 0.000 0.499 279 M N 0.551 120.183 119.600 0.053 0.000 2.809 279 M HA 0.242 4.722 4.480 0.000 0.000 0.388 279 M C -0.669 175.606 176.300 -0.041 0.000 1.248 279 M CA -0.203 55.106 55.300 0.016 0.000 0.885 279 M CB 0.477 33.084 32.600 0.011 0.000 1.386 279 M HN 0.219 nan 8.290 nan 0.000 0.509 280 V N 1.475 121.311 119.914 -0.131 0.000 2.686 280 V HA 0.246 4.366 4.120 0.000 0.000 0.295 280 V C 0.857 176.886 176.094 -0.108 0.000 1.055 280 V CA -0.042 62.062 62.300 -0.327 0.000 1.050 280 V CB 0.959 32.237 31.823 -0.909 0.000 0.984 280 V HN 0.558 nan 8.190 nan 0.000 0.482 281 T N 1.436 115.943 114.554 -0.079 0.000 2.938 281 T HA 0.654 5.004 4.350 0.000 0.000 0.285 281 T C 1.181 175.996 174.700 0.192 0.000 1.028 281 T CA -0.103 62.117 62.100 0.200 0.000 1.005 281 T CB 1.792 70.768 68.868 0.180 0.000 1.157 281 T HN 0.697 nan 8.240 nan 0.000 0.550 282 A N 0.185 123.187 122.820 0.304 0.000 1.940 282 A HA -0.090 4.231 4.320 0.000 0.000 0.219 282 A C 1.935 179.600 177.584 0.135 0.000 1.176 282 A CA 2.247 54.384 52.037 0.167 0.000 0.631 282 A CB -1.371 17.654 19.000 0.042 0.000 0.814 282 A HN 0.997 nan 8.150 nan 0.000 0.446 283 D N -0.841 119.637 120.400 0.129 0.000 2.178 283 D HA -0.013 4.627 4.640 0.000 0.000 0.202 283 D C 1.952 178.256 176.300 0.007 0.000 0.974 283 D CA 1.488 55.531 54.000 0.071 0.000 0.841 283 D CB -0.374 40.486 40.800 0.101 0.000 0.953 283 D HN 0.303 nan 8.370 nan 0.000 0.478 284 G N -0.564 108.194 108.800 -0.070 0.000 2.433 284 G HA2 -0.265 3.696 3.960 0.000 0.000 0.216 284 G HA3 -0.265 3.696 3.960 0.000 0.000 0.216 284 G C 1.355 176.082 174.900 -0.289 0.000 1.186 284 G CA 0.611 45.574 45.100 -0.228 0.000 0.779 284 G HN 0.267 nan 8.290 nan 0.000 0.543 285 F N 0.836 120.702 119.950 -0.139 0.000 2.161 285 F HA 0.019 4.547 4.527 0.000 0.000 0.300 285 F C 2.686 178.434 175.800 -0.087 0.000 1.089 285 F CA 1.368 59.264 58.000 -0.173 0.000 1.282 285 F CB -0.364 38.619 39.000 -0.027 0.000 1.010 285 F HN 0.046 nan 8.300 nan 0.000 0.485 286 R N 0.522 121.097 120.500 0.124 0.000 2.083 286 R HA -0.206 4.134 4.340 0.000 0.000 0.237 286 R C 2.103 178.445 176.300 0.071 0.000 1.137 286 R CA 1.922 58.074 56.100 0.086 0.000 0.951 286 R CB -0.330 29.999 30.300 0.049 0.000 0.851 286 R HN 0.345 nan 8.270 nan 0.000 0.434 287 Q N -0.334 119.482 119.800 0.028 0.000 2.119 287 Q HA -0.131 4.209 4.340 0.000 0.000 0.201 287 Q C 2.194 178.216 176.000 0.038 0.000 0.972 287 Q CA 1.777 57.597 55.803 0.028 0.000 0.847 287 Q CB -0.016 28.725 28.738 0.005 0.000 0.903 287 Q HN 0.414 nan 8.270 nan 0.000 0.433 288 M N -0.060 119.519 119.600 -0.034 0.000 2.132 288 M HA -0.131 4.349 4.480 0.000 0.000 0.263 288 M C 2.352 178.757 176.300 0.175 0.000 1.065 288 M CA 1.429 56.691 55.300 -0.063 0.000 1.122 288 M CB -0.259 32.048 32.600 -0.488 0.000 1.365 288 M HN 0.238 nan 8.290 nan 0.000 0.411 289 A N 0.444 123.424 122.820 0.267 0.000 1.877 289 A HA -0.217 4.104 4.320 0.000 0.000 0.216 289 A C 2.087 179.902 177.584 0.385 0.000 1.186 289 A CA 2.099 54.464 52.037 0.547 0.000 0.620 289 A CB -0.671 18.572 19.000 0.405 0.000 0.822 289 A HN 0.385 nan 8.150 nan 0.000 0.443 290 R N -0.070 120.566 120.500 0.228 0.000 2.096 290 R HA -0.140 4.200 4.340 0.000 0.000 0.240 290 R C 2.263 178.667 176.300 0.174 0.000 1.139 290 R CA 2.183 58.385 56.100 0.170 0.000 0.952 290 R CB -0.518 29.847 30.300 0.108 0.000 0.854 290 R HN 0.548 nan 8.270 nan 0.000 0.436 291 R N -1.063 119.537 120.500 0.166 0.000 2.091 291 R HA -0.076 4.264 4.340 0.000 0.000 0.238 291 R C 2.216 178.623 176.300 0.179 0.000 1.136 291 R CA 2.149 58.337 56.100 0.147 0.000 0.959 291 R CB -0.401 29.976 30.300 0.128 0.000 0.856 291 R HN 0.330 nan 8.270 nan 0.000 0.437 292 T N 0.898 115.609 114.554 0.260 0.000 2.777 292 T HA -0.043 4.307 4.350 0.000 0.000 0.266 292 T C 1.877 176.708 174.700 0.219 0.000 1.040 292 T CA 1.058 63.311 62.100 0.255 0.000 1.141 292 T CB -0.109 68.976 68.868 0.361 0.000 0.868 292 T HN 0.129 nan 8.240 nan 0.000 0.444 293 I N 1.494 122.235 120.570 0.286 0.000 2.226 293 I HA -0.173 3.998 4.170 0.000 0.000 0.245 293 I C 2.291 178.503 176.117 0.158 0.000 1.100 293 I CA 1.188 62.635 61.300 0.243 0.000 1.374 293 I CB -0.378 37.786 38.000 0.274 0.000 1.057 293 I HN 0.111 nan 8.210 nan 0.000 0.413 294 D N 0.147 120.632 120.400 0.143 0.000 2.144 294 D HA -0.201 4.439 4.640 0.000 0.000 0.199 294 D C 2.199 178.551 176.300 0.088 0.000 0.984 294 D CA 1.110 55.172 54.000 0.103 0.000 0.834 294 D CB -0.579 40.276 40.800 0.091 0.000 0.955 294 D HN 0.399 nan 8.370 nan 0.000 0.465 295 C N 1.091 120.448 119.300 0.095 0.000 2.413 295 C HA -0.077 4.384 4.460 0.000 0.000 0.277 295 C C 2.913 177.943 174.990 0.067 0.000 1.228 295 C CA 1.499 60.563 59.018 0.077 0.000 1.731 295 C CB -1.074 26.716 27.740 0.083 0.000 2.042 295 C HN 0.352 nan 8.230 nan 0.000 0.468 296 A N 0.353 123.217 122.820 0.074 0.000 1.908 296 A HA 0.023 4.344 4.320 0.000 0.000 0.218 296 A C 2.473 180.091 177.584 0.057 0.000 1.181 296 A CA 2.463 54.535 52.037 0.059 0.000 0.627 296 A CB -1.181 17.858 19.000 0.065 0.000 0.818 296 A HN 0.911 nan 8.150 nan 0.000 0.445 297 A N -0.114 122.746 122.820 0.067 0.000 1.902 297 A HA -0.183 4.137 4.320 0.000 0.000 0.217 297 A C 1.771 179.382 177.584 0.045 0.000 1.181 297 A CA 1.912 53.983 52.037 0.058 0.000 0.623 297 A CB -0.528 18.510 19.000 0.064 0.000 0.818 297 A HN 0.476 nan 8.150 nan 0.000 0.443 298 D N -0.232 120.194 120.400 0.045 0.000 2.123 298 D HA -0.088 4.553 4.640 0.000 0.000 0.200 298 D C 1.857 178.174 176.300 0.028 0.000 0.976 298 D CA 1.776 55.798 54.000 0.035 0.000 0.831 298 D CB -0.197 40.625 40.800 0.037 0.000 0.974 298 D HN 0.736 nan 8.370 nan 0.000 0.469 299 I N -2.128 118.460 120.570 0.029 0.000 4.139 299 I HA 0.169 4.339 4.170 0.000 0.000 0.320 299 I C 0.701 176.825 176.117 0.012 0.000 1.290 299 I CA -0.022 61.289 61.300 0.020 0.000 1.253 299 I CB 0.556 38.571 38.000 0.024 0.000 1.122 299 I HN -0.000 nan 8.210 nan 0.000 0.421 300 C N -0.472 118.838 119.300 0.017 0.000 3.151 300 C HA 0.479 4.940 4.460 0.000 0.000 0.249 300 C C 0.181 175.181 174.990 0.017 0.000 2.249 300 C CA -0.823 58.200 59.018 0.010 0.000 1.517 300 C CB -1.001 26.741 27.740 0.005 0.000 2.989 300 C HN 0.512 nan 8.230 nan 0.000 0.476 301 D N 1.286 121.699 120.400 0.021 0.000 2.811 301 D HA -0.171 4.469 4.640 0.000 0.000 0.231 301 D C 1.463 177.785 176.300 0.037 0.000 1.157 301 D CA 2.256 56.272 54.000 0.026 0.000 0.716 301 D CB -1.376 39.437 40.800 0.020 0.000 1.077 301 D HN 1.700 nan 8.370 nan 0.000 0.428 302 G N 0.036 108.863 108.800 0.044 0.000 2.143 302 G HA2 -0.380 3.580 3.960 0.000 0.000 0.249 302 G HA3 -0.380 3.580 3.960 0.000 0.000 0.249 302 G C 0.292 175.230 174.900 0.064 0.000 0.981 302 G CA 0.294 45.431 45.100 0.061 0.000 0.665 302 G HN 0.467 nan 8.290 nan 0.000 0.528 303 R N 0.076 120.602 120.500 0.044 0.000 2.309 303 R HA 0.575 4.915 4.340 0.000 0.000 0.331 303 R C -0.112 176.201 176.300 0.022 0.000 1.116 303 R CA 0.079 56.201 56.100 0.037 0.000 0.970 303 R CB 0.410 30.723 30.300 0.023 0.000 1.024 303 R HN 0.454 nan 8.270 nan 0.000 0.472 304 I N 2.387 122.981 120.570 0.040 0.000 2.607 304 I HA 0.299 4.470 4.170 0.000 0.000 0.290 304 I C -1.382 174.748 176.117 0.022 0.000 1.129 304 I CA -0.972 60.324 61.300 -0.007 0.000 1.042 304 I CB 2.154 40.166 38.000 0.021 0.000 1.242 304 I HN 0.174 nan 8.210 nan 0.000 0.421 305 V N 7.712 127.565 119.914 -0.103 0.000 2.483 305 V HA 0.436 4.557 4.120 0.000 0.000 0.297 305 V C -0.724 175.235 176.094 -0.225 0.000 1.027 305 V CA -0.431 61.838 62.300 -0.051 0.000 0.855 305 V CB 1.566 33.354 31.823 -0.058 0.000 0.995 305 V HN 0.445 nan 8.190 nan 0.000 0.424 306 F N 3.826 123.652 119.950 -0.206 0.000 2.394 306 F HA 0.646 5.173 4.527 0.000 0.000 0.340 306 F C 0.236 175.663 175.800 -0.622 0.000 1.105 306 F CA -0.553 57.182 58.000 -0.442 0.000 1.124 306 F CB 1.724 40.413 39.000 -0.518 0.000 1.145 306 F HN 0.161 nan 8.300 nan 0.000 0.505 307 V N 2.913 122.581 119.914 -0.410 0.000 2.525 307 V HA 0.269 4.389 4.120 0.000 0.000 0.299 307 V C -0.385 175.534 176.094 -0.292 0.000 1.034 307 V CA -1.068 61.032 62.300 -0.334 0.000 0.863 307 V CB 1.538 33.231 31.823 -0.217 0.000 0.999 307 V HN 0.626 nan 8.190 nan 0.000 0.423 308 Q N 3.943 123.641 119.800 -0.169 0.000 2.286 308 Q HA 0.135 4.475 4.340 0.000 0.000 0.290 308 Q C 0.261 176.205 176.000 -0.092 0.000 1.049 308 Q CA 1.024 56.832 55.803 0.009 0.000 0.923 308 Q CB 0.646 29.514 28.738 0.218 0.000 1.183 308 Q HN 0.745 nan 8.270 nan 0.000 0.383 309 E N 2.113 122.225 120.200 -0.147 0.000 3.834 309 E HA 0.436 4.786 4.350 0.000 0.000 0.318 309 E C 0.228 176.775 176.600 -0.088 0.000 0.680 309 E CA -0.116 56.171 56.400 -0.187 0.000 1.860 309 E CB -0.583 28.868 29.700 -0.416 0.000 2.061 309 E HN 0.719 nan 8.360 nan 0.000 0.447 310 G N -1.002 107.756 108.800 -0.070 0.000 2.508 310 G HA2 0.477 4.438 3.960 0.000 0.000 0.278 310 G HA3 0.477 4.438 3.960 0.000 0.000 0.278 310 G C -0.190 174.580 174.900 -0.217 0.000 1.389 310 G CA 0.134 45.215 45.100 -0.032 0.000 1.050 310 G HN 0.543 nan 8.290 nan 0.000 0.522 311 G N -2.944 105.474 108.800 -0.636 0.000 2.760 311 G HA2 0.213 4.173 3.960 0.000 0.000 0.540 311 G HA3 0.213 4.173 3.960 0.000 0.000 0.540 311 G C -0.878 173.525 174.900 -0.829 0.000 1.476 311 G CA -0.495 44.353 45.100 -0.420 0.000 0.949 311 G HN 0.718 nan 8.290 nan 0.000 0.633 312 Y N 0.992 121.420 120.300 0.213 0.000 2.717 312 Y HA 0.523 5.074 4.550 0.000 0.000 0.250 312 Y C 1.311 177.300 175.900 0.149 0.000 1.149 312 Y CA -0.115 58.097 58.100 0.186 0.000 1.211 312 Y CB 1.410 39.996 38.460 0.211 0.000 1.289 312 Y HN 0.643 nan 8.280 nan 0.000 0.552 313 S N 3.459 119.270 115.700 0.185 0.000 2.434 313 S HA 0.251 4.721 4.470 0.000 0.000 0.318 313 S C -1.685 172.931 174.600 0.026 0.000 1.062 313 S CA -1.692 56.599 58.200 0.153 0.000 1.116 313 S CB 0.821 64.155 63.200 0.222 0.000 0.977 313 S HN 0.017 nan 8.310 nan 0.000 0.480 314 P HA -0.107 nan 4.420 nan 0.000 0.223 314 P C 0.829 178.025 177.300 -0.173 0.000 1.151 314 P CA 1.028 64.029 63.100 -0.164 0.000 0.787 314 P CB -0.011 31.545 31.700 -0.239 0.000 0.788 315 H N -2.025 117.113 119.070 0.113 0.000 2.343 315 H HA -0.053 4.503 4.556 0.000 0.000 0.303 315 H C 1.666 177.101 175.328 0.179 0.000 1.068 315 H CA 1.231 57.367 56.048 0.146 0.000 1.359 315 H CB -0.706 29.111 29.762 0.092 0.000 1.402 315 H HN 0.168 nan 8.280 nan 0.000 0.515 316 Y N 0.686 120.997 120.300 0.019 0.000 2.535 316 Y HA 0.136 4.686 4.550 0.000 0.000 0.266 316 Y C 2.389 178.253 175.900 -0.061 0.000 1.088 316 Y CA -0.213 57.839 58.100 -0.080 0.000 1.285 316 Y CB -0.292 38.037 38.460 -0.218 0.000 1.166 316 Y HN -0.012 nan 8.280 nan 0.000 0.525 317 L N 1.129 122.267 121.223 -0.142 0.000 2.043 317 L HA -0.158 4.182 4.340 0.000 0.000 0.212 317 L C -0.916 175.558 176.870 -0.660 0.000 1.075 317 L CA 1.835 56.451 54.840 -0.373 0.000 0.752 317 L CB -1.161 40.798 42.059 -0.167 0.000 0.891 317 L HN 0.062 nan 8.230 nan 0.000 0.432 318 P HA -0.177 nan 4.420 nan 0.000 0.216 318 P C 1.185 177.975 177.300 -0.850 0.000 1.150 318 P CA 1.666 64.390 63.100 -0.627 0.000 0.837 318 P CB -0.095 31.308 31.700 -0.496 0.000 0.786 319 F N -1.537 118.131 119.950 -0.469 0.000 2.259 319 F HA -0.114 4.414 4.527 0.000 0.000 0.298 319 F C 2.412 177.825 175.800 -0.645 0.000 1.088 319 F CA 0.726 58.469 58.000 -0.428 0.000 1.358 319 F CB -1.485 37.408 39.000 -0.180 0.000 1.040 319 F HN -0.028 nan 8.300 nan 0.000 0.505 320 C N 0.072 118.866 119.300 -0.843 0.000 2.453 320 C HA -0.074 4.386 4.460 0.000 0.000 0.277 320 C C 3.170 177.289 174.990 -1.452 0.000 1.262 320 C CA 1.255 59.657 59.018 -1.026 0.000 1.718 320 C CB -1.618 25.375 27.740 -1.244 0.000 2.031 320 C HN 0.635 nan 8.230 nan 0.000 0.480 321 G N 0.269 107.850 108.800 -2.030 0.000 2.418 321 G HA2 -0.213 3.748 3.960 0.000 0.000 0.217 321 G HA3 -0.213 3.748 3.960 0.000 0.000 0.217 321 G C 1.531 175.869 174.900 -0.938 0.000 1.158 321 G CA 0.934 44.752 45.100 -2.136 0.000 0.771 321 G HN 0.447 nan 8.290 nan 0.000 0.545 322 L N 1.339 122.150 121.223 -0.687 0.000 2.046 322 L HA 0.125 4.465 4.340 0.000 0.000 0.208 322 L C 3.110 179.861 176.870 -0.197 0.000 1.077 322 L CA 2.033 56.718 54.840 -0.259 0.000 0.747 322 L CB -0.646 41.278 42.059 -0.225 0.000 0.896 322 L HN 0.245 nan 8.230 nan 0.000 0.432 323 A N -1.269 121.415 122.820 -0.226 0.000 1.908 323 A HA -0.176 4.144 4.320 0.000 0.000 0.218 323 A C 2.255 179.800 177.584 -0.066 0.000 1.181 323 A CA 2.113 54.087 52.037 -0.105 0.000 0.627 323 A CB -1.071 17.888 19.000 -0.068 0.000 0.818 323 A HN 0.308 nan 8.150 nan 0.000 0.445 324 V N 0.565 120.429 119.914 -0.085 0.000 2.358 324 V HA -0.220 3.901 4.120 0.000 0.000 0.246 324 V C 2.429 178.472 176.094 -0.085 0.000 1.047 324 V CA 1.595 63.888 62.300 -0.013 0.000 1.035 324 V CB -0.653 31.261 31.823 0.153 0.000 0.658 324 V HN 0.514 nan 8.190 nan 0.000 0.452 325 I N 0.346 120.854 120.570 -0.103 0.000 2.208 325 I HA -0.242 3.928 4.170 0.000 0.000 0.245 325 I C 2.516 178.603 176.117 -0.050 0.000 1.097 325 I CA 1.743 62.999 61.300 -0.073 0.000 1.363 325 I CB -1.236 36.711 38.000 -0.088 0.000 1.051 325 I HN 0.483 nan 8.210 nan 0.000 0.413 326 E N 0.381 120.547 120.200 -0.057 0.000 2.153 326 E HA -0.202 4.148 4.350 0.000 0.000 0.194 326 E C 1.937 178.521 176.600 -0.026 0.000 0.988 326 E CA 0.715 57.086 56.400 -0.048 0.000 0.811 326 E CB 0.012 29.684 29.700 -0.047 0.000 0.746 326 E HN 0.437 nan 8.360 nan 0.000 0.466 327 E N 0.561 120.756 120.200 -0.009 0.000 2.208 327 E HA -0.097 4.253 4.350 0.000 0.000 0.193 327 E C 2.149 178.772 176.600 0.039 0.000 0.988 327 E CA 0.501 56.916 56.400 0.025 0.000 0.828 327 E CB -0.028 29.707 29.700 0.057 0.000 0.763 327 E HN 0.324 nan 8.360 nan 0.000 0.478 328 L N 0.686 121.923 121.223 0.023 0.000 2.044 328 L HA -0.132 4.208 4.340 0.000 0.000 0.205 328 L C 2.621 179.522 176.870 0.052 0.000 1.075 328 L CA 1.797 56.674 54.840 0.061 0.000 0.747 328 L CB -0.567 41.535 42.059 0.072 0.000 0.903 328 L HN 0.199 nan 8.230 nan 0.000 0.435 329 T N -3.915 110.649 114.554 0.018 0.000 3.043 329 T HA 0.097 4.447 4.350 0.000 0.000 0.263 329 T C 1.558 176.232 174.700 -0.044 0.000 1.094 329 T CA 0.579 62.675 62.100 -0.005 0.000 1.127 329 T CB 0.116 68.963 68.868 -0.035 0.000 0.905 329 T HN 0.464 nan 8.240 nan 0.000 0.490 330 G N 0.660 109.437 108.800 -0.038 0.000 2.155 330 G HA2 -0.215 3.746 3.960 0.000 0.000 0.257 330 G HA3 -0.215 3.746 3.960 0.000 0.000 0.257 330 G C 0.068 174.911 174.900 -0.095 0.000 0.983 330 G CA 0.121 45.194 45.100 -0.046 0.000 0.676 330 G HN 0.767 nan 8.290 nan 0.000 0.528 331 V N 0.991 120.813 119.914 -0.153 0.000 2.294 331 V HA 0.450 4.570 4.120 0.000 0.000 0.272 331 V C 0.703 176.719 176.094 -0.129 0.000 1.027 331 V CA -0.529 61.641 62.300 -0.216 0.000 0.823 331 V CB 1.144 32.668 31.823 -0.498 0.000 1.030 331 V HN 0.338 nan 8.190 nan 0.000 0.457 332 R N 3.055 123.504 120.500 -0.085 0.000 2.666 332 R HA 0.275 4.615 4.340 0.000 0.000 0.275 332 R C 0.778 177.054 176.300 -0.040 0.000 1.266 332 R CA 0.002 56.071 56.100 -0.052 0.000 1.401 332 R CB 0.753 31.029 30.300 -0.039 0.000 1.145 332 R HN 0.786 nan 8.270 nan 0.000 0.581 333 S N 0.767 116.447 115.700 -0.033 0.000 2.629 333 S HA 0.187 4.658 4.470 0.000 0.000 0.236 333 S C 0.106 174.708 174.600 0.002 0.000 1.010 333 S CA -0.391 57.799 58.200 -0.017 0.000 0.981 333 S CB 0.361 63.553 63.200 -0.013 0.000 0.919 333 S HN 0.287 nan 8.310 nan 0.000 0.514 334 L N 2.421 123.652 121.223 0.013 0.000 2.464 334 L HA 0.674 5.015 4.340 0.000 0.000 0.266 334 L C -2.839 174.061 176.870 0.050 0.000 0.965 334 L CA -1.570 53.297 54.840 0.045 0.000 0.833 334 L CB 1.578 43.686 42.059 0.083 0.000 1.296 334 L HN -0.083 nan 8.230 nan 0.000 0.405 335 P HA 0.217 nan 4.420 nan 0.000 0.274 335 P C -1.374 175.936 177.300 0.017 0.000 1.237 335 P CA -0.294 62.807 63.100 0.001 0.000 0.793 335 P CB 0.452 32.135 31.700 -0.029 0.000 0.977 336 D N 1.742 122.147 120.400 0.007 0.000 2.336 336 D HA 0.075 4.715 4.640 0.000 0.000 0.249 336 D C -1.472 174.770 176.300 -0.097 0.000 1.213 336 D CA -2.161 51.828 54.000 -0.019 0.000 0.870 336 D CB 0.463 41.359 40.800 0.160 0.000 1.076 336 D HN 0.126 nan 8.370 nan 0.000 0.483 337 P HA -0.091 nan 4.420 nan 0.000 0.233 337 P C 0.395 177.484 177.300 -0.351 0.000 1.167 337 P CA 0.689 63.569 63.100 -0.366 0.000 0.770 337 P CB -0.021 31.341 31.700 -0.563 0.000 0.837 338 Y N -2.023 118.192 120.300 -0.142 0.000 2.468 338 Y HA 0.066 4.617 4.550 0.000 0.000 0.268 338 Y C 2.577 178.501 175.900 0.039 0.000 1.177 338 Y CA -0.117 57.947 58.100 -0.060 0.000 1.265 338 Y CB -0.771 37.590 38.460 -0.166 0.000 1.103 338 Y HN 0.043 nan 8.280 nan 0.000 0.522 339 H N 0.845 119.975 119.070 0.100 0.000 2.289 339 H HA -0.164 4.392 4.556 0.000 0.000 0.296 339 H C 1.863 177.228 175.328 0.062 0.000 1.091 339 H CA 2.441 58.541 56.048 0.086 0.000 1.274 339 H CB 0.333 30.123 29.762 0.046 0.000 1.364 339 H HN 0.088 nan 8.280 nan 0.000 0.490 340 E N -0.498 119.644 120.200 -0.097 0.000 2.158 340 E HA -0.104 4.246 4.350 0.000 0.000 0.191 340 E C 2.156 178.705 176.600 -0.085 0.000 0.982 340 E CA 0.484 56.781 56.400 -0.171 0.000 0.823 340 E CB -0.500 29.184 29.700 -0.027 0.000 0.766 340 E HN 0.491 nan 8.360 nan 0.000 0.468 341 F N 1.576 121.454 119.950 -0.120 0.000 2.091 341 F HA -0.201 4.326 4.527 0.000 0.000 0.299 341 F C 1.998 177.735 175.800 -0.104 0.000 1.103 341 F CA 1.420 59.364 58.000 -0.093 0.000 1.228 341 F CB -0.158 38.804 39.000 -0.063 0.000 0.984 341 F HN -0.070 nan 8.300 nan 0.000 0.477 342 L N -0.622 120.508 121.223 -0.155 0.000 2.270 342 L HA 0.042 4.382 4.340 0.000 0.000 0.210 342 L C 2.662 179.386 176.870 -0.243 0.000 1.104 342 L CA 0.732 55.417 54.840 -0.258 0.000 0.804 342 L CB -1.016 40.958 42.059 -0.142 0.000 0.937 342 L HN 0.197 nan 8.230 nan 0.000 0.450 343 A N 0.528 123.194 122.820 -0.256 0.000 2.015 343 A HA -0.066 4.254 4.320 0.000 0.000 0.219 343 A C 2.300 179.769 177.584 -0.191 0.000 1.163 343 A CA 1.438 53.331 52.037 -0.241 0.000 0.646 343 A CB -0.930 17.846 19.000 -0.373 0.000 0.806 343 A HN 0.416 nan 8.150 nan 0.000 0.448 344 G N -0.911 107.760 108.800 -0.215 0.000 2.598 344 G HA2 -0.067 3.893 3.960 0.000 0.000 0.215 344 G HA3 -0.067 3.893 3.960 0.000 0.000 0.215 344 G C 1.393 176.183 174.900 -0.183 0.000 1.131 344 G CA 0.830 45.820 45.100 -0.183 0.000 0.785 344 G HN 0.511 nan 8.290 nan 0.000 0.539 345 M N 0.072 119.543 119.600 -0.215 0.000 2.558 345 M HA 0.261 4.742 4.480 0.000 0.000 0.255 345 M C 1.455 177.686 176.300 -0.115 0.000 1.113 345 M CA 0.727 55.919 55.300 -0.181 0.000 1.097 345 M CB 0.148 32.619 32.600 -0.216 0.000 1.426 345 M HN 0.330 nan 8.290 nan 0.000 0.488 346 G N -0.274 108.465 108.800 -0.101 0.000 2.512 346 G HA2 0.060 4.020 3.960 0.000 0.000 0.210 346 G HA3 0.060 4.020 3.960 0.000 0.000 0.210 346 G C 0.376 175.245 174.900 -0.052 0.000 1.295 346 G CA -0.480 44.579 45.100 -0.068 0.000 0.934 346 G HN 0.698 nan 8.290 nan 0.000 0.554 347 G N -1.043 107.737 108.800 -0.033 0.000 2.199 347 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 347 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 347 G C 0.820 175.711 174.900 -0.015 0.000 0.982 347 G CA 1.208 46.299 45.100 -0.016 0.000 0.632 347 G HN 1.577 nan 8.290 nan 0.000 0.529 348 N N 0.345 119.030 118.700 -0.024 0.000 2.235 348 N HA 0.146 4.886 4.740 0.000 0.000 0.209 348 N C -0.333 175.164 175.510 -0.021 0.000 1.122 348 N CA 0.476 53.514 53.050 -0.019 0.000 0.845 348 N CB 0.266 38.741 38.487 -0.019 0.000 1.004 348 N HN 0.308 nan 8.380 nan 0.000 0.499 349 T N 1.141 115.679 114.554 -0.026 0.000 2.779 349 T HA 0.225 4.576 4.350 0.000 0.000 0.280 349 T C -0.418 174.255 174.700 -0.045 0.000 0.987 349 T CA -0.496 61.583 62.100 -0.035 0.000 0.966 349 T CB 2.050 70.898 68.868 -0.034 0.000 0.933 349 T HN 0.019 nan 8.240 nan 0.000 0.442 350 L N 5.538 126.719 121.223 -0.069 0.000 2.485 350 L HA 0.340 4.680 4.340 0.000 0.000 0.279 350 L C -0.467 176.347 176.870 -0.094 0.000 1.124 350 L CA 0.097 54.874 54.840 -0.106 0.000 0.888 350 L CB -0.492 41.446 42.059 -0.203 0.000 1.217 350 L HN 0.545 nan 8.230 nan 0.000 0.464 351 L N 4.379 125.560 121.223 -0.070 0.000 2.436 351 L HA 0.199 4.539 4.340 0.000 0.000 0.265 351 L C 1.173 178.006 176.870 -0.062 0.000 1.168 351 L CA -0.733 54.074 54.840 -0.054 0.000 0.815 351 L CB 0.411 42.449 42.059 -0.035 0.000 1.109 351 L HN 0.553 nan 8.230 nan 0.000 0.462 352 D N 1.784 122.154 120.400 -0.050 0.000 2.133 352 D HA -0.196 4.444 4.640 0.000 0.000 0.195 352 D C 1.917 178.193 176.300 -0.039 0.000 0.997 352 D CA 1.843 55.816 54.000 -0.045 0.000 0.840 352 D CB 0.068 40.849 40.800 -0.032 0.000 0.947 352 D HN 0.712 nan 8.370 nan 0.000 0.452 353 A N 0.572 123.373 122.820 -0.031 0.000 2.015 353 A HA -0.163 4.158 4.320 0.000 0.000 0.219 353 A C 2.046 179.608 177.584 -0.036 0.000 1.163 353 A CA 1.283 53.304 52.037 -0.027 0.000 0.646 353 A CB -0.350 18.641 19.000 -0.016 0.000 0.806 353 A HN 0.222 nan 8.150 nan 0.000 0.448 354 E N -0.628 119.546 120.200 -0.043 0.000 2.046 354 E HA -0.143 4.207 4.350 0.000 0.000 0.190 354 E C 2.270 178.843 176.600 -0.046 0.000 0.982 354 E CA 0.912 57.281 56.400 -0.051 0.000 0.800 354 E CB -0.191 29.477 29.700 -0.054 0.000 0.756 354 E HN 0.564 nan 8.360 nan 0.000 0.449 355 R N 0.821 121.281 120.500 -0.066 0.000 2.096 355 R HA -0.204 4.136 4.340 0.000 0.000 0.240 355 R C 2.282 178.582 176.300 0.000 0.000 1.139 355 R CA 1.575 57.644 56.100 -0.051 0.000 0.952 355 R CB -0.281 29.956 30.300 -0.104 0.000 0.854 355 R HN 0.179 nan 8.270 nan 0.000 0.436 356 A N 0.476 123.284 122.820 -0.020 0.000 1.933 356 A HA -0.111 4.209 4.320 0.000 0.000 0.218 356 A C 2.333 179.902 177.584 -0.025 0.000 1.175 356 A CA 1.704 53.731 52.037 -0.016 0.000 0.628 356 A CB -0.723 18.265 19.000 -0.021 0.000 0.814 356 A HN 0.558 nan 8.150 nan 0.000 0.444 357 A N -0.231 122.565 122.820 -0.040 0.000 1.933 357 A HA -0.073 4.248 4.320 0.000 0.000 0.218 357 A C 2.089 179.635 177.584 -0.063 0.000 1.175 357 A CA 1.579 53.575 52.037 -0.068 0.000 0.628 357 A CB -0.544 18.400 19.000 -0.092 0.000 0.814 357 A HN 0.505 nan 8.150 nan 0.000 0.444 358 I N -0.716 119.836 120.570 -0.031 0.000 2.406 358 I HA -0.131 4.040 4.170 0.000 0.000 0.249 358 I C 2.222 178.330 176.117 -0.015 0.000 1.122 358 I CA 0.826 62.114 61.300 -0.020 0.000 1.431 358 I CB -0.217 37.815 38.000 0.053 0.000 1.087 358 I HN 0.196 nan 8.210 nan 0.000 0.424 359 E N 0.967 121.172 120.200 0.008 0.000 2.204 359 E HA -0.210 4.140 4.350 0.000 0.000 0.195 359 E C 1.898 178.489 176.600 -0.015 0.000 0.990 359 E CA 0.943 57.345 56.400 0.003 0.000 0.821 359 E CB -0.156 29.554 29.700 0.017 0.000 0.750 359 E HN 0.554 nan 8.360 nan 0.000 0.477 360 E N -0.017 120.168 120.200 -0.024 0.000 2.265 360 E HA -0.121 4.229 4.350 0.000 0.000 0.196 360 E C 1.626 178.208 176.600 -0.031 0.000 0.996 360 E CA 0.459 56.843 56.400 -0.027 0.000 0.832 360 E CB 0.127 29.806 29.700 -0.035 0.000 0.756 360 E HN 0.208 nan 8.360 nan 0.000 0.491 361 I N 0.007 120.554 120.570 -0.039 0.000 3.228 361 I HA -0.093 4.077 4.170 0.000 0.000 0.279 361 I C 2.221 178.311 176.117 -0.045 0.000 1.221 361 I CA 0.470 61.744 61.300 -0.044 0.000 1.458 361 I CB -0.774 37.194 38.000 -0.054 0.000 1.105 361 I HN -0.040 nan 8.210 nan 0.000 0.445 362 V N 2.836 122.725 119.914 -0.041 0.000 2.324 362 V HA -0.192 3.929 4.120 0.000 0.000 0.250 362 V C -0.040 176.031 176.094 -0.037 0.000 1.060 362 V CA 2.244 64.519 62.300 -0.041 0.000 1.042 362 V CB -2.014 29.788 31.823 -0.036 0.000 0.650 362 V HN 0.270 nan 8.190 nan 0.000 0.450 363 P HA -0.147 nan 4.420 nan 0.000 0.218 363 P C 1.729 179.005 177.300 -0.041 0.000 1.146 363 P CA 1.335 64.418 63.100 -0.029 0.000 0.813 363 P CB -0.128 31.559 31.700 -0.021 0.000 0.778 364 L N -1.805 119.386 121.223 -0.054 0.000 2.362 364 L HA -0.084 4.256 4.340 0.000 0.000 0.219 364 L C 2.200 179.011 176.870 -0.100 0.000 1.134 364 L CA 0.715 55.506 54.840 -0.082 0.000 0.807 364 L CB -0.824 41.179 42.059 -0.092 0.000 0.927 364 L HN 0.015 nan 8.230 nan 0.000 0.447 365 L N 0.045 121.224 121.223 -0.074 0.000 2.191 365 L HA -0.167 4.173 4.340 0.000 0.000 0.212 365 L C 2.895 179.727 176.870 -0.063 0.000 1.103 365 L CA 0.916 55.715 54.840 -0.068 0.000 0.769 365 L CB -0.721 41.311 42.059 -0.045 0.000 0.908 365 L HN 0.258 nan 8.230 nan 0.000 0.438 366 A N -0.247 122.541 122.820 -0.053 0.000 2.024 366 A HA -0.213 4.107 4.320 0.000 0.000 0.220 366 A C 1.700 179.255 177.584 -0.049 0.000 1.164 366 A CA 1.836 53.850 52.037 -0.038 0.000 0.643 366 A CB -0.352 18.632 19.000 -0.027 0.000 0.806 366 A HN 0.380 nan 8.150 nan 0.000 0.451 367 D N -0.627 119.719 120.400 -0.090 0.000 2.339 367 D HA 0.212 4.853 4.640 0.000 0.000 0.217 367 D C 0.684 176.855 176.300 -0.216 0.000 1.050 367 D CA 0.067 53.995 54.000 -0.120 0.000 0.856 367 D CB 0.109 40.827 40.800 -0.136 0.000 0.922 367 D HN 0.469 nan 8.370 nan 0.000 0.518 368 I N 0.000 120.462 120.570 -0.181 0.000 2.984 368 I HA 0.000 4.170 4.170 0.000 0.000 0.288 368 I CA 0.000 61.204 61.300 -0.160 0.000 1.566 368 I CB 0.000 37.965 38.000 -0.058 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494