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 3izk_1_K DATA FIRST_RESID 4911 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 4911 V HA 0.000 nan 4.120 nan 0.000 0.244 4911 V C 0.000 176.088 176.094 -0.010 0.000 1.182 4911 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 4911 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 4912 L N 1.838 123.054 121.223 -0.012 0.000 2.352 4912 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 4912 L C -2.289 174.576 176.870 -0.009 0.000 1.034 4912 L CA -1.672 53.161 54.840 -0.010 0.000 0.806 4912 L CB 0.683 42.735 42.059 -0.012 0.000 1.244 4912 L HN 0.139 nan 8.230 nan 0.000 0.447 4913 P HA 0.010 nan 4.420 nan 0.000 0.265 4913 P C -0.656 176.642 177.300 -0.004 0.000 1.193 4913 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 4913 P CB 0.393 32.093 31.700 -0.001 0.000 0.823 4914 E N 2.896 123.094 120.200 -0.004 0.000 2.480 4914 E HA -0.051 4.298 4.350 -0.001 0.000 0.258 4914 E C 0.689 177.288 176.600 -0.001 0.000 0.984 4914 E CA 0.952 57.349 56.400 -0.005 0.000 0.930 4914 E CB -0.322 29.376 29.700 -0.005 0.000 0.936 4914 E HN 0.533 nan 8.360 nan 0.000 0.466 4915 N N 2.103 120.803 118.700 -0.000 0.000 2.879 4915 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 4915 N C -0.658 174.860 175.510 0.014 0.000 1.554 4915 N CA 0.889 53.943 53.050 0.007 0.000 2.252 4915 N CB -1.205 37.288 38.487 0.010 0.000 1.232 4915 N HN 0.542 nan 8.380 nan 0.000 0.861 4916 M N 1.662 121.267 119.600 0.009 0.000 2.249 4916 M HA 0.319 4.798 4.480 -0.001 0.000 0.351 4916 M C -0.764 175.538 176.300 0.004 0.000 1.180 4916 M CA -0.095 55.215 55.300 0.017 0.000 1.127 4916 M CB 0.596 33.202 32.600 0.010 0.000 1.546 4916 M HN -0.046 nan 8.290 nan 0.000 0.461 4917 K N 4.163 124.578 120.400 0.024 0.000 2.267 4917 K HA 0.613 4.933 4.320 -0.001 0.000 0.246 4917 K C -1.005 175.571 176.600 -0.040 0.000 0.954 4917 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 4917 K CB 1.852 34.341 32.500 -0.018 0.000 1.167 4917 K HN 0.674 nan 8.250 nan 0.000 0.431 4918 R N 1.575 121.951 120.500 -0.206 0.000 2.686 4918 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 4918 R C -0.905 175.168 176.300 -0.379 0.000 0.969 4918 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 4918 R CB 1.274 31.533 30.300 -0.067 0.000 1.183 4918 R HN 0.558 nan 8.270 nan 0.000 0.456 4919 Y N 2.424 122.740 120.300 0.026 0.000 2.536 4919 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 4919 Y C 0.583 176.496 175.900 0.022 0.000 1.000 4919 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 4919 Y CB 1.973 40.457 38.460 0.040 0.000 1.259 4919 Y HN 0.362 nan 8.280 nan 0.000 0.468 4920 M N 0.817 120.512 119.600 0.159 0.000 2.520 4920 M HA 0.783 5.263 4.480 -0.001 0.000 0.280 4920 M C 0.025 176.369 176.300 0.073 0.000 1.232 4920 M CA -0.240 55.113 55.300 0.089 0.000 0.892 4920 M CB 1.276 33.902 32.600 0.044 0.000 1.728 4920 M HN 0.891 nan 8.290 nan 0.000 0.475 4921 G N 2.729 111.560 108.800 0.050 0.000 2.561 4921 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 4921 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 4921 G C 0.672 175.590 174.900 0.031 0.000 1.169 4921 G CA 0.529 45.648 45.100 0.032 0.000 0.980 4921 G HN 0.842 nan 8.290 nan 0.000 0.550 4922 R N 1.082 121.596 120.500 0.023 0.000 2.152 4922 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 4922 R C 2.102 178.421 176.300 0.032 0.000 1.117 4922 R CA 1.784 57.893 56.100 0.015 0.000 0.981 4922 R CB -0.794 29.510 30.300 0.007 0.000 0.870 4922 R HN 0.611 nan 8.270 nan 0.000 0.451 4923 D N 0.493 120.936 120.400 0.071 0.000 2.224 4923 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 4923 D C 1.692 178.057 176.300 0.109 0.000 0.965 4923 D CA 1.157 55.232 54.000 0.125 0.000 0.852 4923 D CB -0.035 40.910 40.800 0.240 0.000 0.947 4923 D HN 0.169 nan 8.370 nan 0.000 0.494 4924 A N 0.656 123.540 122.820 0.108 0.000 1.929 4924 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 4924 A C 2.092 179.694 177.584 0.030 0.000 1.176 4924 A CA 0.991 53.084 52.037 0.094 0.000 0.628 4924 A CB -0.205 18.850 19.000 0.092 0.000 0.816 4924 A HN 0.036 nan 8.150 nan 0.000 0.444 4925 Q N -0.444 119.363 119.800 0.012 0.000 2.016 4925 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 4925 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 4925 Q CA 1.893 57.689 55.803 -0.012 0.000 0.833 4925 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 4925 Q HN 0.631 nan 8.270 nan 0.000 0.427 4926 R N 0.916 121.385 120.500 -0.051 0.000 2.075 4926 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 4926 R C 2.183 178.387 176.300 -0.161 0.000 1.126 4926 R CA 1.523 57.572 56.100 -0.085 0.000 0.963 4926 R CB -0.618 29.643 30.300 -0.065 0.000 0.858 4926 R HN 0.306 nan 8.270 nan 0.000 0.435 4927 M N 0.297 119.761 119.600 -0.227 0.000 2.082 4927 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 4927 M C 1.018 177.150 176.300 -0.280 0.000 1.069 4927 M CA 2.104 57.189 55.300 -0.359 0.000 1.102 4927 M CB -0.264 32.098 32.600 -0.396 0.000 1.336 4927 M HN 0.178 nan 8.290 nan 0.000 0.404 4928 N N 0.754 119.355 118.700 -0.165 0.000 2.188 4928 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 4928 N C 1.655 177.072 175.510 -0.155 0.000 1.018 4928 N CA 1.364 54.319 53.050 -0.158 0.000 0.858 4928 N CB -0.428 38.040 38.487 -0.032 0.000 0.989 4928 N HN 0.395 nan 8.380 nan 0.000 0.426 4929 I N 0.548 121.049 120.570 -0.115 0.000 2.315 4929 I HA -0.141 4.028 4.170 -0.001 0.000 0.248 4929 I C 1.850 177.898 176.117 -0.114 0.000 1.117 4929 I CA 0.683 61.930 61.300 -0.089 0.000 1.404 4929 I CB -0.830 37.134 38.000 -0.061 0.000 1.071 4929 I HN 0.053 nan 8.210 nan 0.000 0.419 4930 L N 0.999 122.131 121.223 -0.151 0.000 2.093 4930 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 4930 L C 2.722 179.488 176.870 -0.173 0.000 1.085 4930 L CA 1.811 56.559 54.840 -0.153 0.000 0.755 4930 L CB -1.338 40.615 42.059 -0.178 0.000 0.904 4930 L HN 0.168 nan 8.230 nan 0.000 0.435 4931 A N -0.550 122.113 122.820 -0.261 0.000 1.902 4931 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 4931 A C 2.405 179.887 177.584 -0.170 0.000 1.181 4931 A CA 1.699 53.559 52.037 -0.294 0.000 0.623 4931 A CB -1.279 17.355 19.000 -0.610 0.000 0.818 4931 A HN 0.432 nan 8.150 nan 0.000 0.443 4932 G N -0.716 107.999 108.800 -0.141 0.000 2.422 4932 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 4932 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 4932 G C 1.672 176.530 174.900 -0.069 0.000 1.140 4932 G CA 1.138 46.188 45.100 -0.083 0.000 0.775 4932 G HN 0.520 nan 8.290 nan 0.000 0.545 4933 R N 0.637 121.090 120.500 -0.078 0.000 2.092 4933 R HA 0.108 4.448 4.340 -0.001 0.000 0.231 4933 R C 2.400 178.665 176.300 -0.058 0.000 1.119 4933 R CA 0.987 57.048 56.100 -0.064 0.000 0.970 4933 R CB -0.649 29.613 30.300 -0.065 0.000 0.864 4933 R HN 0.427 nan 8.270 nan 0.000 0.440 4934 I N 0.100 120.630 120.570 -0.066 0.000 2.127 4934 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 4934 I C 1.775 177.868 176.117 -0.041 0.000 1.075 4934 I CA 1.063 62.332 61.300 -0.052 0.000 1.334 4934 I CB -0.283 37.684 38.000 -0.056 0.000 1.040 4934 I HN 0.141 nan 8.210 nan 0.000 0.405 4935 I N 0.900 121.445 120.570 -0.042 0.000 2.233 4935 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 4935 I C 2.873 178.971 176.117 -0.032 0.000 1.093 4935 I CA 1.598 62.880 61.300 -0.031 0.000 1.380 4935 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 4935 I HN 0.167 nan 8.210 nan 0.000 0.413 4936 A N 0.441 123.238 122.820 -0.038 0.000 1.940 4936 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 4936 A C 2.281 179.843 177.584 -0.038 0.000 1.176 4936 A CA 2.096 54.110 52.037 -0.038 0.000 0.631 4936 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 4936 A HN 0.407 nan 8.150 nan 0.000 0.446 4937 E N -0.494 119.684 120.200 -0.038 0.000 2.107 4937 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 4937 E C 2.013 178.595 176.600 -0.031 0.000 0.982 4937 E CA 1.777 58.156 56.400 -0.035 0.000 0.809 4937 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 4937 E HN 0.505 nan 8.360 nan 0.000 0.459 4938 T N 0.114 114.651 114.554 -0.029 0.000 2.746 4938 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 4938 T C 1.880 176.565 174.700 -0.025 0.000 1.039 4938 T CA 1.791 63.876 62.100 -0.025 0.000 1.142 4938 T CB -0.321 68.534 68.868 -0.022 0.000 0.866 4938 T HN 0.267 nan 8.240 nan 0.000 0.444 4939 V N 1.863 121.762 119.914 -0.026 0.000 2.649 4939 V HA 0.014 4.134 4.120 -0.001 0.000 0.248 4939 V C 2.347 178.423 176.094 -0.030 0.000 1.054 4939 V CA 1.307 63.592 62.300 -0.026 0.000 1.073 4939 V CB -0.890 30.918 31.823 -0.025 0.000 0.699 4939 V HN 0.479 nan 8.190 nan 0.000 0.463 4940 R N 2.696 123.176 120.500 -0.033 0.000 2.241 4940 R HA -0.062 4.278 4.340 -0.001 0.000 0.224 4940 R C 2.015 178.292 176.300 -0.037 0.000 1.101 4940 R CA 1.591 57.669 56.100 -0.038 0.000 0.995 4940 R CB -0.984 29.292 30.300 -0.041 0.000 0.870 4940 R HN 0.690 nan 8.270 nan 0.000 0.463 4941 S N 0.030 115.710 115.700 -0.033 0.000 2.522 4941 S HA -0.073 4.396 4.470 -0.001 0.000 0.227 4941 S C 1.690 176.270 174.600 -0.033 0.000 0.986 4941 S CA 0.684 58.864 58.200 -0.033 0.000 0.929 4941 S CB 0.079 63.262 63.200 -0.029 0.000 0.769 4941 S HN 0.551 nan 8.310 nan 0.000 0.529 4942 T N -0.946 113.589 114.554 -0.031 0.000 3.069 4942 T HA 0.353 4.703 4.350 -0.001 0.000 0.252 4942 T C 0.322 175.002 174.700 -0.033 0.000 1.053 4942 T CA -0.522 61.560 62.100 -0.029 0.000 0.964 4942 T CB -0.435 68.419 68.868 -0.023 0.000 1.005 4942 T HN 0.258 nan 8.240 nan 0.000 0.532 4943 L N 2.928 124.128 121.223 -0.038 0.000 2.462 4943 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 4943 L C 0.703 177.541 176.870 -0.052 0.000 1.166 4943 L CA 1.609 56.424 54.840 -0.041 0.000 0.880 4943 L CB -0.749 41.283 42.059 -0.044 0.000 1.142 4943 L HN 0.697 nan 8.230 nan 0.000 0.473 4944 G N 4.398 113.169 108.800 -0.048 0.000 2.663 4944 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 4944 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 4944 G C -2.066 172.789 174.900 -0.075 0.000 1.288 4944 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 4944 G HN 0.553 nan 8.290 nan 0.000 0.584 4945 P HA 0.004 nan 4.420 nan 0.000 0.222 4945 P C 1.121 178.328 177.300 -0.155 0.000 1.147 4945 P CA 1.229 64.268 63.100 -0.103 0.000 0.790 4945 P CB 0.112 31.725 31.700 -0.145 0.000 0.780 4946 K N -0.209 120.062 120.400 -0.214 0.000 2.372 4946 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 4946 K C 1.172 177.713 176.600 -0.100 0.000 1.022 4946 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 4946 K CB -0.111 32.262 32.500 -0.212 0.000 0.855 4946 K HN 0.067 nan 8.250 nan 0.000 0.524 4947 G N 0.228 108.978 108.800 -0.082 0.000 2.616 4947 G HA2 0.245 4.204 3.960 -0.001 0.000 0.268 4947 G HA3 0.245 4.204 3.960 -0.001 0.000 0.268 4947 G C 0.018 174.893 174.900 -0.041 0.000 1.213 4947 G CA -0.513 44.553 45.100 -0.057 0.000 0.926 4947 G HN -0.069 nan 8.290 nan 0.000 0.523 4948 M N -0.046 119.534 119.600 -0.034 0.000 2.531 4948 M HA 0.401 4.881 4.480 -0.001 0.000 0.262 4948 M C -0.232 176.055 176.300 -0.021 0.000 1.168 4948 M CA -0.678 54.607 55.300 -0.026 0.000 0.926 4948 M CB 1.118 33.703 32.600 -0.025 0.000 1.445 4948 M HN 0.726 nan 8.290 nan 0.000 0.531 4949 D N -0.589 119.800 120.400 -0.018 0.000 2.493 4949 D HA 0.562 5.201 4.640 -0.001 0.000 0.239 4949 D C -1.301 174.989 176.300 -0.017 0.000 1.049 4949 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 4949 D CB 1.270 42.063 40.800 -0.013 0.000 1.398 4949 D HN 0.116 nan 8.370 nan 0.000 0.513 4950 K N 0.345 120.735 120.400 -0.016 0.000 2.259 4950 K HA 0.396 4.716 4.320 -0.001 0.000 0.252 4950 K C -0.949 175.641 176.600 -0.017 0.000 0.936 4950 K CA -0.719 55.559 56.287 -0.016 0.000 0.810 4950 K CB 1.969 34.460 32.500 -0.014 0.000 1.143 4950 K HN 0.677 nan 8.250 nan 0.000 0.427 4951 M N 4.062 123.651 119.600 -0.019 0.000 2.047 4951 M HA 0.253 4.732 4.480 -0.001 0.000 0.342 4951 M C -1.493 174.797 176.300 -0.017 0.000 1.058 4951 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 4951 M CB 0.365 32.950 32.600 -0.026 0.000 1.474 4951 M HN 0.347 nan 8.290 nan 0.000 0.419 4952 L N 6.054 127.268 121.223 -0.015 0.000 2.272 4952 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 4952 L C -0.796 176.067 176.870 -0.011 0.000 1.032 4952 L CA -0.252 54.581 54.840 -0.011 0.000 0.810 4952 L CB 1.667 43.722 42.059 -0.008 0.000 1.205 4952 L HN 0.414 nan 8.230 nan 0.000 0.422 4953 V N 2.816 122.724 119.914 -0.009 0.000 2.407 4953 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 4953 V C -0.351 175.740 176.094 -0.004 0.000 1.018 4953 V CA -0.941 61.354 62.300 -0.009 0.000 0.842 4953 V CB 1.529 33.346 31.823 -0.010 0.000 0.996 4953 V HN 0.806 nan 8.190 nan 0.000 0.426 4954 D N 2.247 122.645 120.400 -0.002 0.000 2.478 4954 D HA 0.093 4.733 4.640 -0.001 0.000 0.269 4954 D C 0.888 177.188 176.300 0.000 0.000 1.232 4954 D CA -0.493 53.506 54.000 -0.000 0.000 1.059 4954 D CB 0.704 41.505 40.800 0.001 0.000 1.104 4954 D HN 0.400 nan 8.370 nan 0.000 0.566 4955 D N -1.741 118.660 120.400 0.001 0.000 2.264 4955 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 4955 D C 1.451 177.752 176.300 0.002 0.000 0.966 4955 D CA 0.622 54.623 54.000 0.002 0.000 0.864 4955 D CB 0.002 40.803 40.800 0.002 0.000 0.933 4955 D HN 0.185 nan 8.370 nan 0.000 0.499 4956 L N -1.006 120.219 121.223 0.003 0.000 2.558 4956 L HA 0.351 4.691 4.340 -0.001 0.000 0.225 4956 L C 1.952 178.824 176.870 0.004 0.000 1.128 4956 L CA 0.909 55.752 54.840 0.004 0.000 0.868 4956 L CB 0.146 42.208 42.059 0.004 0.000 1.006 4956 L HN 0.255 nan 8.230 nan 0.000 0.454 4957 G N -1.320 107.481 108.800 0.003 0.000 2.179 4957 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 4957 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 4957 G C 0.243 175.144 174.900 0.002 0.000 0.990 4957 G CA 0.101 45.202 45.100 0.002 0.000 0.646 4957 G HN 0.322 nan 8.290 nan 0.000 0.517 4958 D N 1.165 121.567 120.400 0.003 0.000 2.382 4958 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 4958 D C 0.415 176.713 176.300 -0.003 0.000 1.224 4958 D CA 0.161 54.164 54.000 0.005 0.000 0.894 4958 D CB 1.100 41.904 40.800 0.008 0.000 1.127 4958 D HN 0.194 nan 8.370 nan 0.000 0.487 4959 V N 4.992 124.900 119.914 -0.009 0.000 2.347 4959 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 4959 V C 0.129 176.205 176.094 -0.029 0.000 1.021 4959 V CA -0.794 61.491 62.300 -0.025 0.000 0.847 4959 V CB 1.580 33.377 31.823 -0.043 0.000 0.990 4959 V HN 0.334 nan 8.190 nan 0.000 0.444 4960 V N 6.044 125.945 119.914 -0.022 0.000 2.378 4960 V HA 0.449 4.568 4.120 -0.001 0.000 0.288 4960 V C -0.222 175.859 176.094 -0.023 0.000 1.016 4960 V CA -0.560 61.730 62.300 -0.017 0.000 0.840 4960 V CB 1.943 33.763 31.823 -0.004 0.000 0.994 4960 V HN 0.589 nan 8.190 nan 0.000 0.431 4961 V N 4.449 124.346 119.914 -0.029 0.000 2.357 4961 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 4961 V C 0.104 176.190 176.094 -0.014 0.000 1.018 4961 V CA 0.020 62.303 62.300 -0.028 0.000 0.841 4961 V CB 1.587 33.383 31.823 -0.044 0.000 0.991 4961 V HN 0.976 nan 8.190 nan 0.000 0.437 4962 T N 2.641 117.188 114.554 -0.011 0.000 2.739 4962 T HA 0.306 4.655 4.350 -0.001 0.000 0.303 4962 T C 0.129 174.825 174.700 -0.007 0.000 1.389 4962 T CA -0.360 61.737 62.100 -0.005 0.000 1.001 4962 T CB 2.059 70.926 68.868 -0.001 0.000 1.436 4962 T HN 0.601 nan 8.240 nan 0.000 0.500 4963 N N 0.323 119.021 118.700 -0.004 0.000 2.210 4963 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 4963 N C -0.780 174.727 175.510 -0.006 0.000 1.175 4963 N CA -0.019 53.027 53.050 -0.006 0.000 0.894 4963 N CB 0.445 38.929 38.487 -0.004 0.000 1.041 4963 N HN 0.552 nan 8.380 nan 0.000 0.506 4964 D N 0.357 120.755 120.400 -0.003 0.000 2.450 4964 D HA 0.094 4.733 4.640 -0.001 0.000 0.247 4964 D C 1.282 177.579 176.300 -0.004 0.000 1.162 4964 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 4964 D CB 1.277 42.077 40.800 0.001 0.000 1.163 4964 D HN 0.290 nan 8.370 nan 0.000 0.472 4965 G N 1.658 110.454 108.800 -0.006 0.000 2.414 4965 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 4965 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 4965 G C 1.496 176.393 174.900 -0.005 0.000 1.188 4965 G CA 0.303 45.398 45.100 -0.008 0.000 0.783 4965 G HN 0.452 nan 8.290 nan 0.000 0.537 4966 V N 0.824 120.737 119.914 -0.003 0.000 2.515 4966 V HA -0.102 4.018 4.120 -0.001 0.000 0.250 4966 V C 2.969 179.063 176.094 0.000 0.000 1.058 4966 V CA 2.738 65.038 62.300 -0.001 0.000 1.064 4966 V CB -0.562 31.262 31.823 0.001 0.000 0.675 4966 V HN 0.400 nan 8.190 nan 0.000 0.461 4967 T N 0.566 115.120 114.554 0.000 0.000 2.777 4967 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 4967 T C 1.752 176.452 174.700 -0.000 0.000 1.040 4967 T CA 1.970 64.071 62.100 0.001 0.000 1.141 4967 T CB -0.257 68.612 68.868 0.001 0.000 0.868 4967 T HN 0.461 nan 8.240 nan 0.000 0.444 4968 I N 0.627 121.195 120.570 -0.002 0.000 2.208 4968 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 4968 I C 1.981 178.097 176.117 -0.002 0.000 1.097 4968 I CA 0.943 62.240 61.300 -0.003 0.000 1.363 4968 I CB -0.264 37.732 38.000 -0.006 0.000 1.051 4968 I HN 0.162 nan 8.210 nan 0.000 0.413 4969 L N 0.171 121.393 121.223 -0.001 0.000 2.217 4969 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 4969 L C 2.458 179.330 176.870 0.004 0.000 1.107 4969 L CA 1.560 56.401 54.840 0.001 0.000 0.783 4969 L CB -0.751 41.308 42.059 0.001 0.000 0.919 4969 L HN 0.104 nan 8.230 nan 0.000 0.442 4970 R N -1.071 119.431 120.500 0.003 0.000 2.100 4970 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 4970 R C 1.962 178.265 176.300 0.004 0.000 1.091 4970 R CA 0.660 56.762 56.100 0.004 0.000 0.986 4970 R CB 0.003 30.305 30.300 0.004 0.000 0.888 4970 R HN 0.273 nan 8.270 nan 0.000 0.444 4971 E N 0.986 121.187 120.200 0.003 0.000 2.086 4971 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 4971 E C 1.283 177.885 176.600 0.002 0.000 0.975 4971 E CA 0.560 56.962 56.400 0.002 0.000 0.813 4971 E CB -0.105 29.595 29.700 0.001 0.000 0.768 4971 E HN 0.333 nan 8.360 nan 0.000 0.457 4972 M N -0.207 119.394 119.600 0.002 0.000 2.184 4972 M HA 0.099 4.578 4.480 -0.001 0.000 0.296 4972 M C 0.517 176.821 176.300 0.005 0.000 1.165 4972 M CA 0.361 55.662 55.300 0.002 0.000 1.175 4972 M CB 0.479 33.080 32.600 0.001 0.000 1.392 4972 M HN -0.239 nan 8.290 nan 0.000 0.457 4973 S N 1.536 117.240 115.700 0.007 0.000 2.466 4973 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 4973 S C -0.894 173.715 174.600 0.015 0.000 1.078 4973 S CA -0.805 57.401 58.200 0.010 0.000 1.115 4973 S CB -0.014 63.192 63.200 0.010 0.000 1.006 4973 S HN 0.508 nan 8.310 nan 0.000 0.487 4974 V N 5.733 125.658 119.914 0.018 0.000 2.439 4974 V HA 0.426 4.545 4.120 -0.001 0.000 0.282 4974 V C 0.610 176.725 176.094 0.035 0.000 1.039 4974 V CA -0.405 61.911 62.300 0.028 0.000 0.913 4974 V CB 1.623 33.462 31.823 0.027 0.000 0.983 4974 V HN 0.793 nan 8.190 nan 0.000 0.460 4975 E N 1.146 121.377 120.200 0.052 0.000 2.228 4975 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 4975 E C 0.723 177.357 176.600 0.058 0.000 0.909 4975 E CA 0.112 56.539 56.400 0.046 0.000 0.911 4975 E CB -0.005 29.722 29.700 0.044 0.000 0.887 4975 E HN 0.693 nan 8.360 nan 0.000 0.481 4976 H N 2.736 121.810 119.070 0.006 0.000 2.886 4976 H HA 0.043 4.598 4.556 -0.001 0.000 0.329 4976 H C -1.713 173.618 175.328 0.005 0.000 1.044 4976 H CA -1.409 54.643 56.048 0.007 0.000 1.456 4976 H CB 1.528 31.289 29.762 -0.001 0.000 1.464 4976 H HN -0.206 nan 8.280 nan 0.000 0.573 4977 P HA -0.147 nan 4.420 nan 0.000 0.216 4977 P C 1.075 178.485 177.300 0.183 0.000 1.150 4977 P CA 2.024 65.159 63.100 0.058 0.000 0.843 4977 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 4978 A N 0.011 123.095 122.820 0.440 0.000 1.877 4978 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 4978 A C 2.329 179.962 177.584 0.083 0.000 1.186 4978 A CA 2.075 54.231 52.037 0.198 0.000 0.620 4978 A CB -1.565 17.460 19.000 0.043 0.000 0.822 4978 A HN 0.201 nan 8.150 nan 0.000 0.443 4979 A N -0.362 122.508 122.820 0.083 0.000 1.969 4979 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 4979 A C 2.078 179.688 177.584 0.043 0.000 1.169 4979 A CA 1.658 53.715 52.037 0.034 0.000 0.635 4979 A CB -0.359 18.657 19.000 0.027 0.000 0.810 4979 A HN 0.542 nan 8.150 nan 0.000 0.445 4980 K N -0.957 119.482 120.400 0.065 0.000 2.097 4980 K HA -0.034 4.285 4.320 -0.001 0.000 0.205 4980 K C 1.856 178.477 176.600 0.035 0.000 1.050 4980 K CA 1.294 57.606 56.287 0.043 0.000 0.938 4980 K CB -0.191 32.334 32.500 0.041 0.000 0.718 4980 K HN 0.347 nan 8.250 nan 0.000 0.442 4981 M N 0.623 120.248 119.600 0.041 0.000 2.288 4981 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 4981 M C 2.169 178.483 176.300 0.024 0.000 1.072 4981 M CA 1.035 56.354 55.300 0.032 0.000 1.132 4981 M CB -0.669 31.953 32.600 0.037 0.000 1.386 4981 M HN 0.200 nan 8.290 nan 0.000 0.432 4982 L N 0.370 121.606 121.223 0.021 0.000 2.046 4982 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 4982 L C 2.224 179.099 176.870 0.009 0.000 1.077 4982 L CA 1.225 56.071 54.840 0.010 0.000 0.747 4982 L CB -0.174 41.885 42.059 0.001 0.000 0.896 4982 L HN 0.156 nan 8.230 nan 0.000 0.432 4983 I N -0.333 120.244 120.570 0.012 0.000 2.208 4983 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 4983 I C 2.468 178.591 176.117 0.010 0.000 1.097 4983 I CA 1.053 62.359 61.300 0.010 0.000 1.363 4983 I CB -0.403 37.605 38.000 0.012 0.000 1.051 4983 I HN 0.310 nan 8.210 nan 0.000 0.413 4984 E N 0.467 120.674 120.200 0.013 0.000 2.118 4984 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 4984 E C 2.419 179.026 176.600 0.011 0.000 0.992 4984 E CA 1.160 57.567 56.400 0.012 0.000 0.804 4984 E CB -0.258 29.451 29.700 0.015 0.000 0.741 4984 E HN 0.367 nan 8.360 nan 0.000 0.458 4985 V N 1.468 121.389 119.914 0.011 0.000 2.358 4985 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 4985 V C 2.462 178.559 176.094 0.006 0.000 1.047 4985 V CA 1.714 64.020 62.300 0.010 0.000 1.035 4985 V CB -0.807 31.022 31.823 0.009 0.000 0.658 4985 V HN 0.239 nan 8.190 nan 0.000 0.452 4986 A N -0.317 122.505 122.820 0.004 0.000 1.933 4986 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 4986 A C 2.283 179.869 177.584 0.003 0.000 1.175 4986 A CA 1.824 53.862 52.037 0.001 0.000 0.628 4986 A CB -0.400 18.599 19.000 -0.000 0.000 0.814 4986 A HN 0.543 nan 8.150 nan 0.000 0.444 4987 K N -0.930 119.473 120.400 0.005 0.000 2.155 4987 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 4987 K C 1.970 178.574 176.600 0.006 0.000 1.052 4987 K CA 1.514 57.804 56.287 0.005 0.000 0.948 4987 K CB -0.279 32.225 32.500 0.006 0.000 0.728 4987 K HN 0.461 nan 8.250 nan 0.000 0.448 4988 T N 1.190 115.748 114.554 0.007 0.000 2.777 4988 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 4988 T C 1.830 176.534 174.700 0.007 0.000 1.040 4988 T CA 1.360 63.465 62.100 0.008 0.000 1.141 4988 T CB -0.128 68.746 68.868 0.010 0.000 0.868 4988 T HN 0.179 nan 8.240 nan 0.000 0.444 4989 Q N 1.395 121.198 119.800 0.005 0.000 2.096 4989 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 4989 Q C 2.099 178.102 176.000 0.004 0.000 0.982 4989 Q CA 1.922 57.728 55.803 0.004 0.000 0.850 4989 Q CB -0.264 28.474 28.738 0.001 0.000 0.901 4989 Q HN 0.679 nan 8.270 nan 0.000 0.422 4990 E N -0.743 119.459 120.200 0.003 0.000 2.072 4990 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 4990 E C 1.590 178.193 176.600 0.004 0.000 0.985 4990 E CA 0.973 57.375 56.400 0.003 0.000 0.801 4990 E CB 0.063 29.765 29.700 0.003 0.000 0.750 4990 E HN 0.139 nan 8.360 nan 0.000 0.452 4991 K N 0.373 120.776 120.400 0.004 0.000 2.147 4991 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 4991 K C 1.939 178.542 176.600 0.005 0.000 1.049 4991 K CA 0.998 57.287 56.287 0.005 0.000 0.936 4991 K CB 0.027 32.530 32.500 0.005 0.000 0.722 4991 K HN 0.239 nan 8.250 nan 0.000 0.446 4992 E N -0.010 120.193 120.200 0.006 0.000 2.045 4992 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 4992 E C 2.227 178.831 176.600 0.006 0.000 0.968 4992 E CA 0.759 57.163 56.400 0.006 0.000 0.813 4992 E CB -0.047 29.657 29.700 0.008 0.000 0.780 4992 E HN -0.025 nan 8.360 nan 0.000 0.455 4993 V N -0.790 119.127 119.914 0.006 0.000 2.788 4993 V HA 0.207 4.327 4.120 -0.001 0.000 0.241 4993 V C 1.678 177.775 176.094 0.005 0.000 1.083 4993 V CA 1.158 63.462 62.300 0.006 0.000 1.103 4993 V CB 0.279 32.105 31.823 0.005 0.000 0.800 4993 V HN 0.508 nan 8.190 nan 0.000 0.476 4994 G N 0.298 109.100 108.800 0.004 0.000 4.677 4994 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 4994 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 4994 G C 0.169 175.071 174.900 0.004 0.000 1.506 4994 G CA 0.327 45.430 45.100 0.004 0.000 1.016 4994 G HN 0.482 nan 8.290 nan 0.000 0.653 4995 D N 1.667 122.070 120.400 0.005 0.000 2.377 4995 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 4995 D C 1.483 177.784 176.300 0.003 0.000 1.196 4995 D CA 1.588 55.592 54.000 0.005 0.000 0.962 4995 D CB 0.389 41.194 40.800 0.008 0.000 1.127 4995 D HN 1.800 nan 8.370 nan 0.000 0.471 4996 G N 0.229 109.030 108.800 0.001 0.000 2.147 4996 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 4996 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 4996 G C 1.020 175.915 174.900 -0.007 0.000 1.005 4996 G CA 1.328 46.426 45.100 -0.004 0.000 0.713 4996 G HN 0.658 nan 8.290 nan 0.000 0.515 4997 T N -3.392 111.158 114.554 -0.006 0.000 2.833 4997 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 4997 T C 2.202 176.895 174.700 -0.012 0.000 1.054 4997 T CA 2.461 64.557 62.100 -0.007 0.000 1.135 4997 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 4997 T HN 0.308 nan 8.240 nan 0.000 0.466 4998 T N 1.882 116.427 114.554 -0.015 0.000 2.732 4998 T HA -0.044 4.306 4.350 -0.001 0.000 0.261 4998 T C 2.294 176.978 174.700 -0.027 0.000 1.040 4998 T CA 1.694 63.782 62.100 -0.021 0.000 1.145 4998 T CB -0.922 67.933 68.868 -0.022 0.000 0.866 4998 T HN 0.471 nan 8.240 nan 0.000 0.427 4999 T N 2.330 116.868 114.554 -0.026 0.000 2.665 4999 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 4999 T C 2.364 177.041 174.700 -0.038 0.000 1.035 4999 T CA 1.356 63.436 62.100 -0.034 0.000 1.151 4999 T CB -0.644 68.207 68.868 -0.029 0.000 0.862 4999 T HN 0.424 nan 8.240 nan 0.000 0.438 5000 A N 0.789 123.591 122.820 -0.030 0.000 1.908 5000 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 5000 A C 2.596 180.160 177.584 -0.034 0.000 1.181 5000 A CA 1.619 53.638 52.037 -0.029 0.000 0.627 5000 A CB -0.974 18.016 19.000 -0.017 0.000 0.818 5000 A HN 0.384 nan 8.150 nan 0.000 0.445 5001 V N -0.602 119.294 119.914 -0.030 0.000 2.453 5001 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 5001 V C 2.545 178.613 176.094 -0.043 0.000 1.048 5001 V CA 1.709 63.990 62.300 -0.031 0.000 1.049 5001 V CB -0.591 31.217 31.823 -0.026 0.000 0.672 5001 V HN 0.365 nan 8.190 nan 0.000 0.457 5002 V N -0.194 119.692 119.914 -0.047 0.000 2.343 5002 V HA -0.214 3.905 4.120 -0.001 0.000 0.247 5002 V C 2.438 178.488 176.094 -0.074 0.000 1.051 5002 V CA 1.881 64.147 62.300 -0.056 0.000 1.036 5002 V CB -0.417 31.373 31.823 -0.055 0.000 0.654 5002 V HN 0.400 nan 8.190 nan 0.000 0.451 5003 V N 0.358 120.223 119.914 -0.083 0.000 2.295 5003 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 5003 V C 2.705 178.722 176.094 -0.128 0.000 1.049 5003 V CA 2.105 64.334 62.300 -0.119 0.000 1.024 5003 V CB -1.125 30.626 31.823 -0.121 0.000 0.648 5003 V HN 0.562 nan 8.190 nan 0.000 0.447 5004 A N 0.328 123.094 122.820 -0.089 0.000 1.972 5004 A HA -0.050 4.270 4.320 -0.001 0.000 0.219 5004 A C 2.376 179.925 177.584 -0.058 0.000 1.169 5004 A CA 1.798 53.794 52.037 -0.068 0.000 0.635 5004 A CB -1.068 17.911 19.000 -0.035 0.000 0.810 5004 A HN 0.534 nan 8.150 nan 0.000 0.446 5005 G N -0.375 108.390 108.800 -0.059 0.000 2.404 5005 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.215 5005 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.215 5005 G C 1.483 176.350 174.900 -0.054 0.000 1.174 5005 G CA 1.276 46.346 45.100 -0.051 0.000 0.780 5005 G HN 0.545 nan 8.290 nan 0.000 0.537 5006 E N -0.003 120.153 120.200 -0.074 0.000 2.152 5006 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 5006 E C 2.284 178.832 176.600 -0.086 0.000 0.983 5006 E CA 0.369 56.722 56.400 -0.078 0.000 0.818 5006 E CB -0.406 29.235 29.700 -0.098 0.000 0.758 5006 E HN 0.258 nan 8.360 nan 0.000 0.467 5007 L N 0.111 121.259 121.223 -0.126 0.000 2.083 5007 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 5007 L C 2.025 178.892 176.870 -0.004 0.000 1.083 5007 L CA 1.586 56.327 54.840 -0.165 0.000 0.752 5007 L CB -0.412 41.500 42.059 -0.246 0.000 0.899 5007 L HN 0.256 nan 8.230 nan 0.000 0.433 5008 L N -1.165 120.066 121.223 0.013 0.000 2.093 5008 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 5008 L C 2.732 179.627 176.870 0.042 0.000 1.085 5008 L CA 0.977 55.849 54.840 0.054 0.000 0.755 5008 L CB -0.445 41.624 42.059 0.017 0.000 0.904 5008 L HN 0.216 nan 8.230 nan 0.000 0.435 5009 R N -0.121 120.384 120.500 0.009 0.000 2.081 5009 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 5009 R C 2.284 178.601 176.300 0.028 0.000 1.131 5009 R CA 0.925 57.027 56.100 0.004 0.000 0.960 5009 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 5009 R HN 0.218 nan 8.270 nan 0.000 0.436 5010 K N 0.375 120.803 120.400 0.046 0.000 2.148 5010 K HA -0.027 4.293 4.320 -0.001 0.000 0.204 5010 K C 2.025 178.723 176.600 0.163 0.000 1.050 5010 K CA 1.196 57.537 56.287 0.090 0.000 0.942 5010 K CB -0.159 32.389 32.500 0.080 0.000 0.724 5010 K HN 0.142 nan 8.250 nan 0.000 0.446 5011 A N 1.604 124.556 122.820 0.219 0.000 1.898 5011 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 5011 A C 2.137 179.756 177.584 0.059 0.000 1.181 5011 A CA 1.368 53.512 52.037 0.178 0.000 0.620 5011 A CB -0.288 18.851 19.000 0.230 0.000 0.819 5011 A HN 0.247 nan 8.150 nan 0.000 0.442 5012 E N 0.268 120.495 120.200 0.046 0.000 2.150 5012 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 5012 E C 1.775 178.381 176.600 0.010 0.000 0.985 5012 E CA 1.280 57.687 56.400 0.012 0.000 0.814 5012 E CB -0.150 29.550 29.700 0.001 0.000 0.752 5012 E HN 0.762 nan 8.360 nan 0.000 0.466 5013 E N 0.208 120.421 120.200 0.023 0.000 2.106 5013 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 5013 E C 2.345 178.956 176.600 0.019 0.000 0.984 5013 E CA 0.684 57.095 56.400 0.019 0.000 0.806 5013 E CB -0.007 29.709 29.700 0.026 0.000 0.750 5013 E HN 0.252 nan 8.360 nan 0.000 0.458 5014 L N 0.309 121.548 121.223 0.027 0.000 2.046 5014 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 5014 L C 2.225 179.089 176.870 -0.009 0.000 1.077 5014 L CA 0.507 55.355 54.840 0.012 0.000 0.747 5014 L CB -0.238 41.825 42.059 0.006 0.000 0.896 5014 L HN 0.168 nan 8.230 nan 0.000 0.432 5015 L N -0.181 121.031 121.223 -0.019 0.000 2.093 5015 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 5015 L C 2.104 178.961 176.870 -0.023 0.000 1.085 5015 L CA 1.719 56.538 54.840 -0.035 0.000 0.755 5015 L CB -0.786 41.248 42.059 -0.041 0.000 0.904 5015 L HN 0.247 nan 8.230 nan 0.000 0.435 5016 D N -1.281 119.113 120.400 -0.011 0.000 2.144 5016 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 5016 D C 1.790 178.089 176.300 -0.002 0.000 0.978 5016 D CA 0.773 54.769 54.000 -0.006 0.000 0.833 5016 D CB 0.163 40.961 40.800 -0.002 0.000 0.961 5016 D HN 0.223 nan 8.370 nan 0.000 0.470 5017 Q N 0.083 119.884 119.800 0.001 0.000 2.466 5017 Q HA 0.010 4.350 4.340 -0.001 0.000 0.210 5017 Q C 0.208 176.210 176.000 0.004 0.000 0.961 5017 Q CA 0.191 55.997 55.803 0.005 0.000 0.953 5017 Q CB -0.077 28.668 28.738 0.011 0.000 1.011 5017 Q HN 0.319 nan 8.270 nan 0.000 0.516 5018 N N -0.619 118.080 118.700 -0.002 0.000 2.776 5018 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 5018 N C -1.321 174.194 175.510 0.008 0.000 1.111 5018 N CA 0.300 53.350 53.050 0.000 0.000 0.711 5018 N CB -1.150 37.341 38.487 0.008 0.000 1.065 5018 N HN -0.025 nan 8.380 nan 0.000 0.556 5019 V N 1.927 121.840 119.914 -0.001 0.000 2.385 5019 V HA 0.126 4.245 4.120 -0.001 0.000 0.269 5019 V C 0.935 177.029 176.094 0.000 0.000 1.043 5019 V CA -0.728 61.578 62.300 0.009 0.000 0.906 5019 V CB 1.015 32.834 31.823 -0.005 0.000 0.995 5019 V HN 0.327 nan 8.190 nan 0.000 0.467 5020 H N 8.341 127.392 119.070 -0.032 0.000 3.034 5020 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 5020 H C -1.684 173.613 175.328 -0.052 0.000 1.015 5020 H CA -1.222 54.806 56.048 -0.034 0.000 1.429 5020 H CB 1.644 31.389 29.762 -0.028 0.000 1.429 5020 H HN 0.380 nan 8.280 nan 0.000 0.585 5021 P HA -0.178 nan 4.420 nan 0.000 0.217 5021 P C 1.522 178.853 177.300 0.050 0.000 1.148 5021 P CA 1.799 64.835 63.100 -0.106 0.000 0.834 5021 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 5022 T N -1.745 113.002 114.554 0.321 0.000 2.915 5022 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 5022 T C 1.571 176.295 174.700 0.040 0.000 1.071 5022 T CA 0.756 62.947 62.100 0.152 0.000 1.132 5022 T CB -0.515 68.403 68.868 0.084 0.000 0.878 5022 T HN -0.149 nan 8.240 nan 0.000 0.479 5023 I N 0.719 121.319 120.570 0.049 0.000 2.333 5023 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 5023 I C 2.539 178.593 176.117 -0.105 0.000 1.106 5023 I CA 0.813 62.102 61.300 -0.019 0.000 1.411 5023 I CB -1.314 36.688 38.000 0.004 0.000 1.082 5023 I HN 0.151 nan 8.210 nan 0.000 0.420 5024 V N 0.735 120.548 119.914 -0.168 0.000 2.343 5024 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 5024 V C 2.699 178.468 176.094 -0.543 0.000 1.051 5024 V CA 1.305 63.349 62.300 -0.427 0.000 1.036 5024 V CB -0.557 31.029 31.823 -0.395 0.000 0.654 5024 V HN 0.167 nan 8.190 nan 0.000 0.451 5025 V N 0.059 119.823 119.914 -0.249 0.000 2.261 5025 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 5025 V C 2.485 178.540 176.094 -0.066 0.000 1.047 5025 V CA 2.380 64.611 62.300 -0.116 0.000 1.015 5025 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 5025 V HN 0.530 nan 8.190 nan 0.000 0.446 5026 K N 1.114 121.476 120.400 -0.065 0.000 2.026 5026 K HA -0.105 4.215 4.320 -0.001 0.000 0.208 5026 K C 2.051 178.627 176.600 -0.039 0.000 1.048 5026 K CA 1.944 58.207 56.287 -0.040 0.000 0.929 5026 K CB -1.167 31.312 32.500 -0.035 0.000 0.713 5026 K HN 0.387 nan 8.250 nan 0.000 0.439 5027 G N -0.806 107.963 108.800 -0.051 0.000 2.418 5027 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 5027 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 5027 G C 1.210 176.145 174.900 0.058 0.000 1.158 5027 G CA 0.836 45.939 45.100 0.005 0.000 0.771 5027 G HN 0.268 nan 8.290 nan 0.000 0.545 5028 Y N 0.405 120.628 120.300 -0.128 0.000 2.200 5028 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 5028 Y C 2.891 178.545 175.900 -0.410 0.000 1.137 5028 Y CA 1.076 59.016 58.100 -0.267 0.000 1.163 5028 Y CB -0.947 37.544 38.460 0.051 0.000 0.988 5028 Y HN 0.270 nan 8.280 nan 0.000 0.518 5029 Q N 0.321 120.109 119.800 -0.019 0.000 2.123 5029 Q HA -0.031 4.308 4.340 -0.001 0.000 0.199 5029 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 5029 Q CA 1.529 57.301 55.803 -0.052 0.000 0.845 5029 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 5029 Q HN 0.328 nan 8.270 nan 0.000 0.439 5030 A N 0.269 123.017 122.820 -0.120 0.000 1.855 5030 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 5030 A C 2.278 179.769 177.584 -0.156 0.000 1.191 5030 A CA 1.860 53.833 52.037 -0.106 0.000 0.613 5030 A CB -1.195 17.765 19.000 -0.066 0.000 0.829 5030 A HN 0.494 nan 8.150 nan 0.000 0.442 5031 A N -0.318 122.318 122.820 -0.307 0.000 1.930 5031 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 5031 A C 2.458 179.793 177.584 -0.416 0.000 1.175 5031 A CA 1.874 53.683 52.037 -0.381 0.000 0.627 5031 A CB -0.905 17.730 19.000 -0.608 0.000 0.815 5031 A HN 1.028 nan 8.150 nan 0.000 0.443 5032 A N -1.076 121.365 122.820 -0.632 0.000 1.933 5032 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 5032 A C 2.098 179.662 177.584 -0.033 0.000 1.175 5032 A CA 1.545 53.474 52.037 -0.180 0.000 0.628 5032 A CB -0.399 18.545 19.000 -0.093 0.000 0.814 5032 A HN 0.481 nan 8.150 nan 0.000 0.444 5033 Q N -0.072 119.690 119.800 -0.063 0.000 2.119 5033 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 5033 Q C 1.751 177.759 176.000 0.013 0.000 0.972 5033 Q CA 1.210 57.003 55.803 -0.017 0.000 0.847 5033 Q CB -0.268 28.452 28.738 -0.031 0.000 0.903 5033 Q HN 0.516 nan 8.270 nan 0.000 0.433 5034 K N 0.229 120.645 120.400 0.027 0.000 2.167 5034 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 5034 K C 1.945 178.634 176.600 0.148 0.000 1.052 5034 K CA 0.801 57.148 56.287 0.100 0.000 0.956 5034 K CB -0.103 32.505 32.500 0.179 0.000 0.735 5034 K HN 0.113 nan 8.250 nan 0.000 0.451 5035 A N 1.573 124.472 122.820 0.132 0.000 1.902 5035 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 5035 A C 2.131 179.779 177.584 0.107 0.000 1.181 5035 A CA 1.373 53.499 52.037 0.148 0.000 0.623 5035 A CB -0.381 18.757 19.000 0.229 0.000 0.818 5035 A HN 0.350 nan 8.150 nan 0.000 0.443 5036 Q N -0.878 118.974 119.800 0.087 0.000 2.172 5036 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 5036 Q C 1.882 177.916 176.000 0.057 0.000 0.964 5036 Q CA 1.100 56.941 55.803 0.064 0.000 0.855 5036 Q CB -0.089 28.679 28.738 0.051 0.000 0.918 5036 Q HN 0.581 nan 8.270 nan 0.000 0.444 5037 E N 0.531 120.768 120.200 0.062 0.000 2.110 5037 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 5037 E C 1.948 178.593 176.600 0.075 0.000 0.988 5037 E CA 0.799 57.234 56.400 0.058 0.000 0.804 5037 E CB 0.004 29.736 29.700 0.052 0.000 0.745 5037 E HN 0.218 nan 8.360 nan 0.000 0.458 5038 L N 0.456 121.739 121.223 0.100 0.000 2.093 5038 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 5038 L C 2.423 179.335 176.870 0.069 0.000 1.085 5038 L CA 1.123 56.023 54.840 0.100 0.000 0.755 5038 L CB -0.820 41.306 42.059 0.111 0.000 0.904 5038 L HN 0.095 nan 8.230 nan 0.000 0.435 5039 L N -1.032 120.228 121.223 0.062 0.000 2.093 5039 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 5039 L C 2.430 179.325 176.870 0.041 0.000 1.085 5039 L CA 1.193 56.061 54.840 0.047 0.000 0.755 5039 L CB -0.450 41.635 42.059 0.043 0.000 0.904 5039 L HN 0.231 nan 8.230 nan 0.000 0.435 5040 K N -0.772 119.653 120.400 0.041 0.000 2.155 5040 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 5040 K C 2.045 178.665 176.600 0.034 0.000 1.052 5040 K CA 1.442 57.749 56.287 0.033 0.000 0.948 5040 K CB -0.134 32.384 32.500 0.030 0.000 0.728 5040 K HN 0.263 nan 8.250 nan 0.000 0.448 5041 T N 1.951 116.530 114.554 0.042 0.000 2.777 5041 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 5041 T C 1.853 176.575 174.700 0.037 0.000 1.040 5041 T CA 1.264 63.389 62.100 0.042 0.000 1.141 5041 T CB -0.120 68.782 68.868 0.057 0.000 0.868 5041 T HN 0.384 nan 8.240 nan 0.000 0.444 5042 I N -0.452 120.142 120.570 0.040 0.000 3.728 5042 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 5042 I C 1.019 177.154 176.117 0.030 0.000 1.276 5042 I CA -0.596 60.726 61.300 0.037 0.000 1.285 5042 I CB -0.427 37.601 38.000 0.048 0.000 1.038 5042 I HN -0.056 nan 8.210 nan 0.000 0.445 5043 A N 1.502 124.339 122.820 0.028 0.000 2.567 5043 A HA 0.121 4.441 4.320 -0.001 0.000 0.240 5043 A C 0.098 177.693 177.584 0.019 0.000 1.053 5043 A CA 0.001 52.052 52.037 0.023 0.000 0.755 5043 A CB -0.185 18.828 19.000 0.022 0.000 0.978 5043 A HN 0.639 nan 8.150 nan 0.000 0.507 5044 C N 3.758 123.068 119.300 0.016 0.000 2.273 5044 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 5044 C C 0.317 175.313 174.990 0.011 0.000 1.275 5044 C CA -0.682 58.344 59.018 0.013 0.000 1.704 5044 C CB -0.791 26.956 27.740 0.012 0.000 2.326 5044 C HN 0.881 nan 8.230 nan 0.000 0.517 5045 E N 3.687 123.893 120.200 0.010 0.000 2.316 5045 E HA 0.424 4.773 4.350 -0.001 0.000 0.275 5045 E C -0.114 176.490 176.600 0.007 0.000 1.029 5045 E CA -0.062 56.343 56.400 0.008 0.000 0.871 5045 E CB 1.167 30.872 29.700 0.008 0.000 1.022 5045 E HN 0.700 nan 8.360 nan 0.000 0.418 5046 V N -0.512 119.406 119.914 0.006 0.000 3.040 5046 V HA 0.729 4.849 4.120 -0.001 0.000 0.312 5046 V C 0.320 176.417 176.094 0.005 0.000 1.115 5046 V CA -1.134 61.169 62.300 0.005 0.000 0.998 5046 V CB 1.673 33.499 31.823 0.005 0.000 1.042 5046 V HN 0.660 nan 8.190 nan 0.000 0.433 5047 G N 0.616 109.418 108.800 0.004 0.000 2.365 5047 G HA2 0.481 4.441 3.960 -0.001 0.000 0.249 5047 G HA3 0.481 4.441 3.960 -0.001 0.000 0.249 5047 G C 0.966 175.868 174.900 0.004 0.000 1.288 5047 G CA 0.127 45.230 45.100 0.003 0.000 0.887 5047 G HN 1.657 nan 8.290 nan 0.000 0.524 5048 A N 2.348 125.171 122.820 0.004 0.000 1.940 5048 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 5048 A C 1.942 179.529 177.584 0.004 0.000 1.176 5048 A CA 1.199 53.238 52.037 0.004 0.000 0.631 5048 A CB -0.002 19.000 19.000 0.004 0.000 0.814 5048 A HN 0.516 nan 8.150 nan 0.000 0.446 5049 Q N 0.003 119.805 119.800 0.003 0.000 2.201 5049 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 5049 Q C -0.945 175.056 176.000 0.002 0.000 0.857 5049 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 5049 Q CB 0.027 28.767 28.738 0.003 0.000 1.124 5049 Q HN 0.720 nan 8.270 nan 0.000 0.473 5050 D N 0.729 121.130 120.400 0.002 0.000 2.344 5050 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 5050 D C 1.250 177.551 176.300 0.001 0.000 1.255 5050 D CA 0.064 54.065 54.000 0.001 0.000 0.894 5050 D CB 0.884 41.685 40.800 0.001 0.000 1.067 5050 D HN -0.218 nan 8.370 nan 0.000 0.492 5051 K N 3.408 123.808 120.400 0.000 0.000 2.077 5051 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 5051 K C 1.553 178.151 176.600 -0.002 0.000 1.051 5051 K CA 2.070 58.357 56.287 -0.001 0.000 0.929 5051 K CB -0.106 32.394 32.500 -0.001 0.000 0.715 5051 K HN 0.660 nan 8.250 nan 0.000 0.451 5052 E N -0.452 119.747 120.200 -0.003 0.000 2.023 5052 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 5052 E C 1.993 178.591 176.600 -0.004 0.000 1.003 5052 E CA 1.659 58.056 56.400 -0.004 0.000 0.809 5052 E CB -0.275 29.423 29.700 -0.004 0.000 0.755 5052 E HN 0.340 nan 8.360 nan 0.000 0.449 5053 I N 0.582 121.151 120.570 -0.002 0.000 2.454 5053 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 5053 I C 1.877 177.994 176.117 0.000 0.000 1.156 5053 I CA 0.728 62.028 61.300 -0.000 0.000 1.433 5053 I CB -0.059 37.942 38.000 0.002 0.000 1.082 5053 I HN 0.212 nan 8.210 nan 0.000 0.432 5054 L N 0.064 121.287 121.223 -0.000 0.000 2.141 5054 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 5054 L C 2.643 179.513 176.870 -0.001 0.000 1.094 5054 L CA 2.296 57.136 54.840 0.001 0.000 0.763 5054 L CB -1.566 40.494 42.059 0.001 0.000 0.908 5054 L HN 0.493 nan 8.230 nan 0.000 0.437 5055 T N -4.951 109.601 114.554 -0.003 0.000 3.035 5055 T HA -0.068 4.282 4.350 -0.001 0.000 0.259 5055 T C 1.898 176.593 174.700 -0.009 0.000 1.078 5055 T CA 0.434 62.531 62.100 -0.006 0.000 1.132 5055 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 5055 T HN 0.178 nan 8.240 nan 0.000 0.480 5056 K N 0.616 121.011 120.400 -0.007 0.000 2.057 5056 K HA 0.098 4.417 4.320 -0.001 0.000 0.206 5056 K C 2.145 178.743 176.600 -0.003 0.000 1.050 5056 K CA 0.964 57.246 56.287 -0.008 0.000 0.935 5056 K CB -0.183 32.314 32.500 -0.006 0.000 0.715 5056 K HN 0.252 nan 8.250 nan 0.000 0.439 5057 I N 1.303 121.874 120.570 0.001 0.000 2.179 5057 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 5057 I C 2.518 178.638 176.117 0.006 0.000 1.088 5057 I CA 1.267 62.570 61.300 0.005 0.000 1.357 5057 I CB -1.345 36.659 38.000 0.006 0.000 1.051 5057 I HN 0.104 nan 8.210 nan 0.000 0.409 5058 A N 0.773 123.594 122.820 0.003 0.000 1.865 5058 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 5058 A C 2.397 179.982 177.584 0.002 0.000 1.191 5058 A CA 1.901 53.940 52.037 0.003 0.000 0.623 5058 A CB -0.660 18.340 19.000 0.000 0.000 0.826 5058 A HN 0.356 nan 8.150 nan 0.000 0.444 5059 M N -0.841 118.756 119.600 -0.005 0.000 2.159 5059 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 5059 M C 2.209 178.505 176.300 -0.006 0.000 1.063 5059 M CA 1.792 57.083 55.300 -0.014 0.000 1.110 5059 M CB -0.642 31.940 32.600 -0.031 0.000 1.374 5059 M HN 0.472 nan 8.290 nan 0.000 0.411 5060 T N -0.243 114.314 114.554 0.004 0.000 2.665 5060 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 5060 T C 1.954 176.679 174.700 0.043 0.000 1.035 5060 T CA 2.020 64.136 62.100 0.026 0.000 1.151 5060 T CB -0.320 68.563 68.868 0.026 0.000 0.862 5060 T HN 0.399 nan 8.240 nan 0.000 0.438 5061 S N 0.206 115.924 115.700 0.029 0.000 2.371 5061 S HA 0.033 4.503 4.470 -0.001 0.000 0.224 5061 S C 2.057 176.679 174.600 0.037 0.000 1.029 5061 S CA 0.572 58.791 58.200 0.031 0.000 0.978 5061 S CB -0.429 62.783 63.200 0.021 0.000 0.833 5061 S HN 0.451 nan 8.310 nan 0.000 0.466 5062 I N 1.679 122.265 120.570 0.028 0.000 2.226 5062 I HA -0.105 4.064 4.170 -0.001 0.000 0.245 5062 I C 1.322 177.466 176.117 0.045 0.000 1.100 5062 I CA 0.968 62.283 61.300 0.026 0.000 1.374 5062 I CB -0.935 37.071 38.000 0.010 0.000 1.057 5062 I HN 0.415 nan 8.210 nan 0.000 0.413 5063 T N -0.409 114.178 114.554 0.055 0.000 2.903 5063 T HA 0.326 4.676 4.350 -0.001 0.000 0.314 5063 T C 1.082 175.912 174.700 0.215 0.000 1.078 5063 T CA 0.089 62.250 62.100 0.101 0.000 1.114 5063 T CB 1.226 70.119 68.868 0.042 0.000 0.987 5063 T HN 0.636 nan 8.240 nan 0.000 0.548 5064 G N 0.494 109.470 108.800 0.294 0.000 2.141 5064 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 5064 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 5064 G C -0.134 174.831 174.900 0.109 0.000 0.982 5064 G CA 0.316 45.548 45.100 0.220 0.000 0.662 5064 G HN 0.947 nan 8.290 nan 0.000 0.527 5065 K N -0.201 120.256 120.400 0.095 0.000 2.328 5065 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 5065 K C 1.565 178.197 176.600 0.052 0.000 0.955 5065 K CA 0.179 56.500 56.287 0.058 0.000 0.817 5065 K CB 0.971 33.498 32.500 0.045 0.000 1.208 5065 K HN 0.282 nan 8.250 nan 0.000 0.432 5066 G N 1.154 109.978 108.800 0.039 0.000 2.450 5066 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.220 5066 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.220 5066 G C 1.049 175.966 174.900 0.028 0.000 1.130 5066 G CA 1.036 46.156 45.100 0.033 0.000 0.760 5066 G HN 0.638 nan 8.290 nan 0.000 0.557 5067 A N 1.346 124.182 122.820 0.027 0.000 2.209 5067 A HA 0.092 4.411 4.320 -0.001 0.000 0.212 5067 A C 2.090 179.683 177.584 0.015 0.000 1.158 5067 A CA 1.497 53.546 52.037 0.020 0.000 0.742 5067 A CB -0.381 18.631 19.000 0.020 0.000 0.790 5067 A HN 0.661 nan 8.150 nan 0.000 0.472 5068 E N 1.378 121.590 120.200 0.019 0.000 2.333 5068 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 5068 E C 1.558 178.154 176.600 -0.006 0.000 1.007 5068 E CA 1.301 57.705 56.400 0.005 0.000 0.845 5068 E CB -0.541 29.164 29.700 0.009 0.000 0.766 5068 E HN 0.792 nan 8.360 nan 0.000 0.507 5069 K N 0.802 121.203 120.400 0.002 0.000 2.281 5069 K HA -0.081 4.239 4.320 -0.001 0.000 0.203 5069 K C 1.467 178.064 176.600 -0.005 0.000 1.046 5069 K CA 1.467 57.753 56.287 -0.002 0.000 0.938 5069 K CB -0.010 32.493 32.500 0.005 0.000 0.737 5069 K HN 0.164 nan 8.250 nan 0.000 0.458 5070 A N 1.782 124.600 122.820 -0.003 0.000 2.606 5070 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 5070 A C 1.347 178.928 177.584 -0.006 0.000 1.174 5070 A CA -0.561 51.474 52.037 -0.004 0.000 0.958 5070 A CB -0.041 18.960 19.000 0.001 0.000 1.194 5070 A HN 0.414 nan 8.150 nan 0.000 0.526 5071 K N 0.187 120.581 120.400 -0.011 0.000 2.281 5071 K HA -0.198 4.122 4.320 -0.001 0.000 0.203 5071 K C 0.834 177.425 176.600 -0.015 0.000 1.046 5071 K CA 1.906 58.185 56.287 -0.014 0.000 0.938 5071 K CB -0.115 32.370 32.500 -0.026 0.000 0.737 5071 K HN 0.314 nan 8.250 nan 0.000 0.458 5072 E N 1.298 121.488 120.200 -0.016 0.000 2.072 5072 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 5072 E C 1.754 178.349 176.600 -0.008 0.000 0.982 5072 E CA 1.243 57.635 56.400 -0.014 0.000 0.803 5072 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 5072 E HN 0.258 nan 8.360 nan 0.000 0.453 5073 K N 0.331 120.728 120.400 -0.005 0.000 2.057 5073 K HA 0.006 4.325 4.320 -0.001 0.000 0.206 5073 K C 1.971 178.571 176.600 0.001 0.000 1.050 5073 K CA 0.751 57.037 56.287 -0.001 0.000 0.935 5073 K CB -0.306 32.195 32.500 0.001 0.000 0.715 5073 K HN 0.057 nan 8.250 nan 0.000 0.439 5074 L N 0.102 121.325 121.223 0.000 0.000 2.046 5074 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 5074 L C 2.374 179.244 176.870 0.001 0.000 1.077 5074 L CA 1.405 56.246 54.840 0.002 0.000 0.747 5074 L CB -0.604 41.457 42.059 0.003 0.000 0.896 5074 L HN 0.196 nan 8.230 nan 0.000 0.432 5075 A N -0.239 122.580 122.820 -0.002 0.000 1.933 5075 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 5075 A C 2.176 179.759 177.584 -0.001 0.000 1.175 5075 A CA 1.811 53.847 52.037 -0.003 0.000 0.628 5075 A CB -0.428 18.567 19.000 -0.007 0.000 0.814 5075 A HN 0.387 nan 8.150 nan 0.000 0.444 5076 E N 0.197 120.397 120.200 -0.001 0.000 2.051 5076 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 5076 E C 1.755 178.357 176.600 0.003 0.000 0.991 5076 E CA 1.425 57.825 56.400 0.000 0.000 0.799 5076 E CB -0.230 29.470 29.700 -0.000 0.000 0.748 5076 E HN 0.469 nan 8.360 nan 0.000 0.449 5077 I N 0.274 120.846 120.570 0.004 0.000 2.226 5077 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 5077 I C 2.135 178.256 176.117 0.006 0.000 1.100 5077 I CA 0.955 62.259 61.300 0.006 0.000 1.374 5077 I CB -0.798 37.207 38.000 0.008 0.000 1.057 5077 I HN 0.197 nan 8.210 nan 0.000 0.413 5078 I N -0.064 120.509 120.570 0.004 0.000 2.406 5078 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 5078 I C 2.487 178.606 176.117 0.004 0.000 1.122 5078 I CA 0.896 62.198 61.300 0.004 0.000 1.431 5078 I CB -0.404 37.599 38.000 0.004 0.000 1.087 5078 I HN -0.095 nan 8.210 nan 0.000 0.424 5079 V N 0.281 120.197 119.914 0.003 0.000 2.358 5079 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 5079 V C 2.449 178.545 176.094 0.004 0.000 1.047 5079 V CA 1.529 63.831 62.300 0.003 0.000 1.035 5079 V CB -0.580 31.244 31.823 0.002 0.000 0.658 5079 V HN 0.380 nan 8.190 nan 0.000 0.452 5080 E N 0.384 120.587 120.200 0.004 0.000 2.072 5080 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 5080 E C 2.378 178.982 176.600 0.006 0.000 0.985 5080 E CA 1.414 57.817 56.400 0.005 0.000 0.801 5080 E CB -0.458 29.245 29.700 0.006 0.000 0.750 5080 E HN 0.555 nan 8.360 nan 0.000 0.452 5081 A N 1.137 123.960 122.820 0.006 0.000 1.902 5081 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 5081 A C 2.623 180.210 177.584 0.005 0.000 1.181 5081 A CA 1.447 53.488 52.037 0.006 0.000 0.623 5081 A CB -0.689 18.314 19.000 0.005 0.000 0.818 5081 A HN 0.124 nan 8.150 nan 0.000 0.443 5082 V N -0.259 119.658 119.914 0.004 0.000 2.261 5082 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 5082 V C 2.763 178.859 176.094 0.005 0.000 1.047 5082 V CA 2.369 64.671 62.300 0.004 0.000 1.015 5082 V CB -0.834 30.991 31.823 0.004 0.000 0.642 5082 V HN 0.549 nan 8.190 nan 0.000 0.446 5083 S N 0.010 115.714 115.700 0.005 0.000 2.419 5083 S HA -0.126 4.344 4.470 -0.001 0.000 0.233 5083 S C 2.137 176.742 174.600 0.007 0.000 1.016 5083 S CA 1.238 59.442 58.200 0.006 0.000 0.974 5083 S CB -0.394 62.809 63.200 0.006 0.000 0.786 5083 S HN 0.645 nan 8.310 nan 0.000 0.492 5084 A N 1.056 123.881 122.820 0.008 0.000 1.930 5084 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 5084 A C 2.239 179.830 177.584 0.011 0.000 1.175 5084 A CA 1.654 53.697 52.037 0.010 0.000 0.627 5084 A CB -0.537 18.468 19.000 0.009 0.000 0.815 5084 A HN 0.580 nan 8.150 nan 0.000 0.443 5085 V N -3.655 116.264 119.914 0.008 0.000 3.660 5085 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 5085 V C 1.870 177.968 176.094 0.006 0.000 1.317 5085 V CA 0.869 63.173 62.300 0.007 0.000 1.097 5085 V CB -0.302 31.523 31.823 0.004 0.000 0.863 5085 V HN 0.155 nan 8.190 nan 0.000 0.438 5086 V N 1.000 120.918 119.914 0.006 0.000 2.568 5086 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 5086 V C 1.623 177.721 176.094 0.006 0.000 1.072 5086 V CA 2.602 64.905 62.300 0.005 0.000 1.084 5086 V CB -0.596 31.230 31.823 0.005 0.000 0.676 5086 V HN 0.897 nan 8.190 nan 0.000 0.469 5087 D N -1.055 119.350 120.400 0.008 0.000 4.438 5087 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 5087 D C 0.617 176.921 176.300 0.007 0.000 0.686 5087 D CA 1.920 55.925 54.000 0.008 0.000 1.183 5087 D CB -1.234 39.569 40.800 0.005 0.000 0.623 5087 D HN 0.573 nan 8.370 nan 0.000 0.521 5088 D N 1.619 122.021 120.400 0.004 0.000 2.414 5088 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 5088 D C -0.200 176.103 176.300 0.004 0.000 1.252 5088 D CA 0.299 54.301 54.000 0.003 0.000 0.999 5088 D CB 0.407 41.208 40.800 0.002 0.000 1.093 5088 D HN 0.199 nan 8.370 nan 0.000 0.515 5089 E N -0.303 119.899 120.200 0.003 0.000 2.373 5089 E HA 0.549 4.898 4.350 -0.001 0.000 0.233 5089 E C -0.237 176.364 176.600 0.003 0.000 1.035 5089 E CA -0.622 55.780 56.400 0.004 0.000 0.930 5089 E CB 0.625 30.327 29.700 0.004 0.000 1.278 5089 E HN 0.450 nan 8.360 nan 0.000 0.452 5090 G N 1.453 110.254 108.800 0.003 0.000 2.340 5090 G HA2 0.259 4.218 3.960 -0.001 0.000 0.298 5090 G HA3 0.259 4.218 3.960 -0.001 0.000 0.298 5090 G C -1.745 173.157 174.900 0.003 0.000 1.498 5090 G CA -0.736 44.366 45.100 0.003 0.000 0.847 5090 G HN 0.021 nan 8.290 nan 0.000 0.594 5091 K N 0.467 120.868 120.400 0.003 0.000 2.550 5091 K HA 0.542 4.861 4.320 -0.001 0.000 0.252 5091 K C -1.384 175.218 176.600 0.003 0.000 0.943 5091 K CA -0.541 55.747 56.287 0.003 0.000 0.806 5091 K CB 2.262 34.763 32.500 0.002 0.000 1.289 5091 K HN 0.512 nan 8.250 nan 0.000 0.435 5092 V N 3.415 123.330 119.914 0.003 0.000 2.370 5092 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 5092 V C -0.250 175.845 176.094 0.002 0.000 1.029 5092 V CA -0.717 61.584 62.300 0.002 0.000 0.870 5092 V CB 1.320 33.145 31.823 0.003 0.000 0.984 5092 V HN 0.606 nan 8.190 nan 0.000 0.451 5093 D N 4.023 124.424 120.400 0.001 0.000 2.427 5093 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 5093 D C 0.975 177.274 176.300 -0.002 0.000 1.076 5093 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 5093 D CB 1.424 42.223 40.800 -0.002 0.000 1.052 5093 D HN 0.511 nan 8.370 nan 0.000 0.515 5094 K N 2.754 123.153 120.400 -0.002 0.000 2.160 5094 K HA -0.231 4.088 4.320 -0.001 0.000 0.206 5094 K C 0.964 177.561 176.600 -0.006 0.000 1.047 5094 K CA 1.324 57.609 56.287 -0.003 0.000 0.930 5094 K CB 0.161 32.660 32.500 -0.002 0.000 0.720 5094 K HN 0.331 nan 8.250 nan 0.000 0.450 5095 D N 0.190 120.586 120.400 -0.007 0.000 2.309 5095 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 5095 D C 1.389 177.682 176.300 -0.012 0.000 0.968 5095 D CA 0.699 54.693 54.000 -0.010 0.000 0.882 5095 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 5095 D HN 0.263 nan 8.370 nan 0.000 0.503 5096 L N -0.304 120.914 121.223 -0.009 0.000 2.554 5096 L HA 0.172 4.511 4.340 -0.001 0.000 0.226 5096 L C 0.370 177.234 176.870 -0.010 0.000 1.137 5096 L CA 0.180 55.015 54.840 -0.009 0.000 0.863 5096 L CB 0.085 42.142 42.059 -0.004 0.000 0.985 5096 L HN 0.009 nan 8.230 nan 0.000 0.451 5097 I N 0.270 120.834 120.570 -0.010 0.000 2.382 5097 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 5097 I C 0.076 176.184 176.117 -0.015 0.000 1.002 5097 I CA -0.461 60.833 61.300 -0.010 0.000 1.135 5097 I CB 1.679 39.676 38.000 -0.005 0.000 1.288 5097 I HN -0.113 nan 8.210 nan 0.000 0.448 5098 K N 6.626 127.014 120.400 -0.021 0.000 2.172 5098 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 5098 K C -0.705 175.881 176.600 -0.023 0.000 1.013 5098 K CA -0.594 55.676 56.287 -0.028 0.000 0.913 5098 K CB 1.265 33.739 32.500 -0.042 0.000 1.055 5098 K HN 0.452 nan 8.250 nan 0.000 0.461 5099 I N 3.975 124.532 120.570 -0.021 0.000 2.307 5099 I HA 0.175 4.344 4.170 -0.001 0.000 0.287 5099 I C 0.099 176.202 176.117 -0.022 0.000 1.054 5099 I CA -0.584 60.706 61.300 -0.016 0.000 1.218 5099 I CB 0.584 38.578 38.000 -0.010 0.000 1.398 5099 I HN 0.518 nan 8.210 nan 0.000 0.475 5100 E N 7.315 127.500 120.200 -0.025 0.000 2.199 5100 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 5100 E C -0.949 175.639 176.600 -0.019 0.000 0.899 5100 E CA -0.745 55.635 56.400 -0.032 0.000 0.772 5100 E CB 1.406 31.073 29.700 -0.054 0.000 1.155 5100 E HN 0.541 nan 8.360 nan 0.000 0.408 5101 K N 2.911 123.300 120.400 -0.019 0.000 2.471 5101 K HA 0.613 4.932 4.320 -0.001 0.000 0.252 5101 K C -0.929 175.663 176.600 -0.014 0.000 0.938 5101 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 5101 K CB 1.591 34.086 32.500 -0.009 0.000 1.161 5101 K HN 0.097 nan 8.250 nan 0.000 0.425 5102 K N 2.028 122.425 120.400 -0.006 0.000 2.507 5102 K HA 0.217 4.537 4.320 -0.001 0.000 0.251 5102 K C -0.643 175.955 176.600 -0.002 0.000 0.943 5102 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 5102 K CB 2.138 34.644 32.500 0.009 0.000 1.188 5102 K HN 0.992 nan 8.250 nan 0.000 0.428 5103 S N 0.431 116.123 115.700 -0.014 0.000 2.584 5103 S HA 0.674 5.143 4.470 -0.001 0.000 0.270 5103 S C 0.565 175.164 174.600 -0.001 0.000 1.346 5103 S CA 0.327 58.520 58.200 -0.013 0.000 1.018 5103 S CB 0.821 64.004 63.200 -0.029 0.000 0.899 5103 S HN 0.931 nan 8.310 nan 0.000 0.542 5104 G N -0.194 108.607 108.800 0.002 0.000 2.640 5104 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 5104 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 5104 G C -0.042 174.864 174.900 0.010 0.000 1.229 5104 G CA -0.124 44.980 45.100 0.007 0.000 0.796 5104 G HN 2.406 nan 8.290 nan 0.000 0.654 5105 A N -0.332 122.494 122.820 0.009 0.000 5.953 5105 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 5105 A C 1.187 178.777 177.584 0.009 0.000 2.116 5105 A CA 1.972 54.014 52.037 0.010 0.000 0.711 5105 A CB -1.624 17.384 19.000 0.012 0.000 1.100 5105 A HN 2.749 nan 8.150 nan 0.000 0.364 5106 S N -2.833 112.872 115.700 0.009 0.000 2.851 5106 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 5106 S C 1.196 175.802 174.600 0.010 0.000 1.144 5106 S CA -0.109 58.097 58.200 0.010 0.000 0.862 5106 S CB 0.629 63.834 63.200 0.008 0.000 1.259 5106 S HN 1.019 nan 8.310 nan 0.000 0.564 5107 I N 2.010 122.586 120.570 0.010 0.000 2.546 5107 I HA -0.033 4.136 4.170 -0.001 0.000 0.255 5107 I C 1.515 177.637 176.117 0.009 0.000 1.163 5107 I CA 1.181 62.487 61.300 0.010 0.000 1.457 5107 I CB -1.347 36.659 38.000 0.011 0.000 1.092 5107 I HN 0.586 nan 8.210 nan 0.000 0.434 5108 D N 1.248 121.653 120.400 0.007 0.000 2.218 5108 D HA -0.172 4.467 4.640 -0.001 0.000 0.204 5108 D C 1.341 177.646 176.300 0.007 0.000 0.976 5108 D CA 1.195 55.199 54.000 0.005 0.000 0.853 5108 D CB -0.116 40.686 40.800 0.004 0.000 0.939 5108 D HN 0.432 nan 8.370 nan 0.000 0.481 5109 D N -0.174 120.231 120.400 0.009 0.000 2.347 5109 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 5109 D C 0.329 176.639 176.300 0.016 0.000 0.976 5109 D CA 0.425 54.431 54.000 0.012 0.000 0.884 5109 D CB -0.014 40.794 40.800 0.012 0.000 0.915 5109 D HN -0.045 nan 8.370 nan 0.000 0.526 5110 T N 1.784 116.347 114.554 0.016 0.000 2.905 5110 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 5110 T C 0.227 174.939 174.700 0.020 0.000 1.024 5110 T CA 0.381 62.492 62.100 0.019 0.000 1.151 5110 T CB 0.225 69.102 68.868 0.014 0.000 0.987 5110 T HN 0.302 nan 8.240 nan 0.000 0.535 5111 E N 2.037 122.253 120.200 0.027 0.000 2.408 5111 E HA 0.596 4.945 4.350 -0.001 0.000 0.275 5111 E C -1.490 175.130 176.600 0.033 0.000 0.935 5111 E CA -1.188 55.229 56.400 0.029 0.000 0.775 5111 E CB 1.302 31.023 29.700 0.034 0.000 1.277 5111 E HN 0.326 nan 8.360 nan 0.000 0.455 5112 L N 2.511 123.751 121.223 0.028 0.000 2.275 5112 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 5112 L C -1.233 175.660 176.870 0.038 0.000 1.046 5112 L CA -0.388 54.468 54.840 0.028 0.000 0.805 5112 L CB 0.880 42.950 42.059 0.018 0.000 1.193 5112 L HN 0.610 nan 8.230 nan 0.000 0.426 5113 I N 5.221 125.819 120.570 0.047 0.000 2.359 5113 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 5113 I C -0.130 176.016 176.117 0.047 0.000 1.018 5113 I CA -0.855 60.486 61.300 0.068 0.000 1.173 5113 I CB 0.997 39.072 38.000 0.124 0.000 1.326 5113 I HN 0.477 nan 8.210 nan 0.000 0.462 5114 K N 5.298 125.722 120.400 0.039 0.000 2.081 5114 K HA 0.442 4.761 4.320 -0.001 0.000 0.230 5114 K C 0.306 176.923 176.600 0.029 0.000 1.199 5114 K CA -0.077 56.226 56.287 0.026 0.000 1.130 5114 K CB -0.030 32.481 32.500 0.018 0.000 1.386 5114 K HN 0.848 nan 8.250 nan 0.000 0.280 5115 G N -1.251 107.565 108.800 0.027 0.000 2.335 5115 G HA2 0.268 4.227 3.960 -0.001 0.000 0.291 5115 G HA3 0.268 4.227 3.960 -0.001 0.000 0.291 5115 G C -1.704 173.194 174.900 -0.004 0.000 1.261 5115 G CA -0.803 44.310 45.100 0.022 0.000 0.871 5115 G HN 0.033 nan 8.290 nan 0.000 0.491 5116 V N 0.713 120.614 119.914 -0.022 0.000 2.409 5116 V HA 0.656 4.775 4.120 -0.001 0.000 0.291 5116 V C -0.719 175.299 176.094 -0.126 0.000 1.020 5116 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 5116 V CB 1.243 33.002 31.823 -0.106 0.000 0.990 5116 V HN 0.818 nan 8.190 nan 0.000 0.430 5117 L N 7.908 129.015 121.223 -0.193 0.000 2.313 5117 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 5117 L C -0.350 176.357 176.870 -0.271 0.000 1.013 5117 L CA -0.151 54.464 54.840 -0.375 0.000 0.816 5117 L CB 1.751 43.489 42.059 -0.535 0.000 1.236 5117 L HN 0.562 nan 8.230 nan 0.000 0.419 5118 V N 1.533 121.297 119.914 -0.250 0.000 2.864 5118 V HA 0.611 4.730 4.120 -0.001 0.000 0.314 5118 V C -0.358 175.662 176.094 -0.123 0.000 1.073 5118 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 5118 V CB 1.857 33.631 31.823 -0.082 0.000 1.023 5118 V HN 0.828 nan 8.190 nan 0.000 0.435 5119 D N 1.059 121.413 120.400 -0.076 0.000 3.085 5119 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 5119 D C -0.153 176.141 176.300 -0.010 0.000 1.232 5119 D CA -0.275 53.696 54.000 -0.048 0.000 0.913 5119 D CB 0.308 41.084 40.800 -0.040 0.000 1.108 5119 D HN 0.528 nan 8.370 nan 0.000 0.468 5120 K N 0.474 120.880 120.400 0.009 0.000 2.340 5120 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 5120 K C 0.161 176.785 176.600 0.041 0.000 0.973 5120 K CA -0.810 55.500 56.287 0.038 0.000 0.828 5120 K CB 2.271 34.823 32.500 0.087 0.000 1.226 5120 K HN 0.265 nan 8.250 nan 0.000 0.437 5121 E N 0.546 120.763 120.200 0.029 0.000 2.334 5121 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 5121 E C -0.657 175.943 176.600 0.000 0.000 0.958 5121 E CA -1.153 55.261 56.400 0.023 0.000 0.821 5121 E CB 0.900 30.610 29.700 0.017 0.000 1.269 5121 E HN 0.091 nan 8.360 nan 0.000 0.413 5122 R N 1.203 121.699 120.500 -0.006 0.000 2.242 5122 R HA 0.084 4.423 4.340 -0.001 0.000 0.334 5122 R C 0.854 177.135 176.300 -0.032 0.000 1.071 5122 R CA -0.153 55.928 56.100 -0.030 0.000 0.922 5122 R CB 0.877 31.164 30.300 -0.022 0.000 1.023 5122 R HN 0.581 nan 8.270 nan 0.000 0.458 5123 V N 1.978 121.863 119.914 -0.048 0.000 2.546 5123 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 5123 V C 0.737 176.801 176.094 -0.050 0.000 1.076 5123 V CA 2.010 64.281 62.300 -0.050 0.000 1.087 5123 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 5123 V HN 0.714 nan 8.190 nan 0.000 0.470 5124 S N -2.207 113.466 115.700 -0.044 0.000 2.536 5124 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 5124 S C 0.749 175.342 174.600 -0.012 0.000 1.101 5124 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 5124 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 5124 S HN 0.517 nan 8.310 nan 0.000 0.481 5125 A N 2.988 125.807 122.820 -0.002 0.000 2.125 5125 A HA -0.070 4.250 4.320 -0.001 0.000 0.219 5125 A C 1.868 179.459 177.584 0.011 0.000 1.156 5125 A CA 1.627 53.667 52.037 0.006 0.000 0.671 5125 A CB -0.586 18.420 19.000 0.009 0.000 0.794 5125 A HN 0.894 nan 8.150 nan 0.000 0.459 5126 Q N -1.089 118.722 119.800 0.018 0.000 2.389 5126 Q HA 0.118 4.458 4.340 -0.001 0.000 0.204 5126 Q C 0.488 176.498 176.000 0.018 0.000 0.944 5126 Q CA 0.045 55.864 55.803 0.026 0.000 0.908 5126 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 5126 Q HN 0.684 nan 8.270 nan 0.000 0.493 5127 M N 1.903 121.507 119.600 0.007 0.000 2.255 5127 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 5127 M C -2.080 174.219 176.300 -0.002 0.000 1.135 5127 M CA -2.022 53.278 55.300 -0.001 0.000 1.145 5127 M CB 0.683 33.273 32.600 -0.017 0.000 1.473 5127 M HN -0.083 nan 8.290 nan 0.000 0.462 5128 P HA 0.015 nan 4.420 nan 0.000 0.266 5128 P C -0.470 176.829 177.300 -0.003 0.000 1.193 5128 P CA 0.280 63.379 63.100 -0.001 0.000 0.770 5128 P CB 0.455 32.154 31.700 -0.002 0.000 0.836 5129 K N 1.443 121.845 120.400 0.003 0.000 2.393 5129 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 5129 K C 0.592 177.201 176.600 0.016 0.000 1.026 5129 K CA 0.546 56.839 56.287 0.009 0.000 1.064 5129 K CB 0.093 32.599 32.500 0.010 0.000 0.833 5129 K HN 0.507 nan 8.250 nan 0.000 0.521 5130 K N -0.870 119.537 120.400 0.012 0.000 2.568 5130 K HA 0.396 4.715 4.320 -0.001 0.000 0.273 5130 K C -1.328 175.280 176.600 0.014 0.000 0.951 5130 K CA -0.920 55.378 56.287 0.019 0.000 0.854 5130 K CB 2.128 34.638 32.500 0.017 0.000 1.424 5130 K HN -0.279 nan 8.250 nan 0.000 0.427 5131 V N 1.447 121.373 119.914 0.021 0.000 2.577 5131 V HA 0.400 4.520 4.120 -0.001 0.000 0.303 5131 V C -0.404 175.705 176.094 0.025 0.000 1.042 5131 V CA -0.599 61.712 62.300 0.018 0.000 0.872 5131 V CB 1.809 33.640 31.823 0.013 0.000 0.998 5131 V HN 1.005 nan 8.190 nan 0.000 0.423 5132 T N -0.051 114.514 114.554 0.018 0.000 2.902 5132 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 5132 T C 0.167 174.878 174.700 0.018 0.000 1.009 5132 T CA -0.219 61.891 62.100 0.018 0.000 1.051 5132 T CB 1.274 70.149 68.868 0.011 0.000 0.999 5132 T HN 0.800 nan 8.240 nan 0.000 0.474 5133 D N 0.398 120.810 120.400 0.019 0.000 2.689 5133 D HA -0.161 4.479 4.640 -0.001 0.000 0.237 5133 D C 0.323 176.638 176.300 0.025 0.000 1.148 5133 D CA 0.837 54.848 54.000 0.019 0.000 0.656 5133 D CB -1.258 39.551 40.800 0.014 0.000 1.050 5133 D HN 1.107 nan 8.370 nan 0.000 0.426 5134 A N 1.393 124.233 122.820 0.034 0.000 2.477 5134 A HA 0.353 4.673 4.320 -0.001 0.000 0.246 5134 A C 0.505 178.117 177.584 0.047 0.000 1.078 5134 A CA 0.189 52.252 52.037 0.043 0.000 0.770 5134 A CB 0.547 19.584 19.000 0.062 0.000 1.011 5134 A HN 0.156 nan 8.150 nan 0.000 0.494 5135 K N 3.017 123.443 120.400 0.044 0.000 2.347 5135 K HA 0.386 4.706 4.320 -0.001 0.000 0.262 5135 K C -1.196 175.441 176.600 0.061 0.000 1.052 5135 K CA -0.244 56.070 56.287 0.046 0.000 0.946 5135 K CB 0.934 33.453 32.500 0.032 0.000 1.220 5135 K HN 0.524 nan 8.250 nan 0.000 0.450 5136 I N 2.143 122.766 120.570 0.088 0.000 2.342 5136 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 5136 I C 0.372 176.561 176.117 0.120 0.000 1.010 5136 I CA -0.172 61.213 61.300 0.142 0.000 1.308 5136 I CB 1.363 39.482 38.000 0.199 0.000 1.400 5136 I HN 0.508 nan 8.210 nan 0.000 0.488 5137 A N 7.591 130.486 122.820 0.125 0.000 2.330 5137 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 5137 A C -0.767 176.905 177.584 0.145 0.000 1.155 5137 A CA -0.562 51.535 52.037 0.099 0.000 0.803 5137 A CB 0.639 19.674 19.000 0.058 0.000 1.208 5137 A HN 0.658 nan 8.150 nan 0.000 0.477 5138 L N 3.453 124.741 121.223 0.108 0.000 2.318 5138 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 5138 L C -1.045 175.866 176.870 0.069 0.000 1.008 5138 L CA -0.101 54.802 54.840 0.105 0.000 0.846 5138 L CB 1.039 43.138 42.059 0.067 0.000 1.220 5138 L HN 0.571 nan 8.230 nan 0.000 0.423 5139 L N 3.119 124.385 121.223 0.071 0.000 2.341 5139 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 5139 L C 0.530 177.427 176.870 0.044 0.000 1.005 5139 L CA -0.568 54.301 54.840 0.047 0.000 0.818 5139 L CB 1.962 44.044 42.059 0.039 0.000 1.259 5139 L HN 0.584 nan 8.230 nan 0.000 0.418 5140 N N 0.191 118.910 118.700 0.031 0.000 2.353 5140 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 5140 N C 0.238 175.760 175.510 0.020 0.000 1.098 5140 N CA -0.209 52.856 53.050 0.025 0.000 0.872 5140 N CB 0.173 38.671 38.487 0.018 0.000 0.970 5140 N HN 0.412 nan 8.380 nan 0.000 0.467 5141 C N 1.505 120.817 119.300 0.019 0.000 2.435 5141 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 5141 C C 0.948 175.947 174.990 0.015 0.000 1.281 5141 C CA -0.986 58.041 59.018 0.015 0.000 1.963 5141 C CB -1.247 26.502 27.740 0.015 0.000 2.490 5141 C HN 0.577 nan 8.230 nan 0.000 0.557 5142 A N 6.574 129.401 122.820 0.010 0.000 2.520 5142 A HA 0.363 4.682 4.320 -0.001 0.000 0.235 5142 A C 0.420 178.007 177.584 0.005 0.000 1.065 5142 A CA 0.003 52.044 52.037 0.006 0.000 0.764 5142 A CB 0.072 19.074 19.000 0.003 0.000 1.002 5142 A HN 0.815 nan 8.150 nan 0.000 0.502 5143 I N 2.440 123.011 120.570 0.001 0.000 2.191 5143 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 5143 I C 0.116 176.230 176.117 -0.005 0.000 1.141 5143 I CA 0.728 62.028 61.300 0.001 0.000 1.430 5143 I CB -1.539 36.458 38.000 -0.004 0.000 1.497 5143 I HN 0.609 nan 8.210 nan 0.000 0.636 5144 E N 2.943 123.143 120.200 -0.000 0.000 2.283 5144 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 5144 E C -0.794 175.809 176.600 0.006 0.000 0.893 5144 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 5144 E CB 2.335 32.032 29.700 -0.006 0.000 1.242 5144 E HN 0.199 nan 8.360 nan 0.000 0.414 5145 E N 1.893 122.098 120.200 0.009 0.000 2.278 5145 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 5145 E C -1.155 175.456 176.600 0.018 0.000 0.890 5145 E CA -0.553 55.857 56.400 0.017 0.000 0.770 5145 E CB 1.894 31.611 29.700 0.028 0.000 1.212 5145 E HN 0.276 nan 8.360 nan 0.000 0.415 5146 T N 2.891 117.455 114.554 0.016 0.000 2.940 5146 T HA 0.483 4.832 4.350 -0.001 0.000 0.309 5146 T C -0.242 174.474 174.700 0.026 0.000 1.056 5146 T CA 0.893 63.003 62.100 0.017 0.000 1.137 5146 T CB -0.254 68.622 68.868 0.013 0.000 0.976 5146 T HN 1.324 nan 8.240 nan 0.000 0.547 5147 A N 3.180 126.017 122.820 0.029 0.000 2.435 5147 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 5147 A C 1.256 178.881 177.584 0.069 0.000 0.138 5147 A CA 0.499 52.562 52.037 0.042 0.000 0.024 5147 A CB -1.853 17.169 19.000 0.036 0.000 3.974 5147 A HN 1.873 nan 8.150 nan 0.000 0.548 5148 S N 0.625 116.383 115.700 0.096 0.000 2.489 5148 S HA -0.012 4.457 4.470 -0.001 0.000 0.228 5148 S C 1.366 176.086 174.600 0.199 0.000 0.995 5148 S CA 1.428 59.743 58.200 0.192 0.000 0.934 5148 S CB 0.077 63.415 63.200 0.229 0.000 0.771 5148 S HN 1.162 nan 8.310 nan 0.000 0.522 5149 E N 1.883 122.144 120.200 0.102 0.000 2.046 5149 E HA 0.046 4.396 4.350 -0.001 0.000 0.190 5149 E C 1.994 178.622 176.600 0.046 0.000 0.982 5149 E CA 1.404 57.836 56.400 0.053 0.000 0.800 5149 E CB -0.417 29.302 29.700 0.032 0.000 0.756 5149 E HN 0.594 nan 8.360 nan 0.000 0.449 5150 M N -0.521 119.111 119.600 0.053 0.000 2.200 5150 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 5150 M C 2.037 178.373 176.300 0.060 0.000 1.066 5150 M CA 0.648 55.974 55.300 0.043 0.000 1.127 5150 M CB -0.109 32.512 32.600 0.035 0.000 1.379 5150 M HN 0.194 nan 8.290 nan 0.000 0.420 5151 L N 0.959 122.238 121.223 0.093 0.000 2.093 5151 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 5151 L C 2.410 179.391 176.870 0.186 0.000 1.085 5151 L CA 1.825 56.739 54.840 0.123 0.000 0.755 5151 L CB -0.697 41.436 42.059 0.125 0.000 0.904 5151 L HN 0.147 nan 8.230 nan 0.000 0.435 5152 K N -0.372 120.152 120.400 0.207 0.000 2.057 5152 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 5152 K C 1.568 178.166 176.600 -0.004 0.000 1.049 5152 K CA 1.825 58.141 56.287 0.049 0.000 0.931 5152 K CB -0.298 32.078 32.500 -0.206 0.000 0.714 5152 K HN 0.374 nan 8.250 nan 0.000 0.440 5153 D N 0.616 121.021 120.400 0.009 0.000 2.178 5153 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 5153 D C 2.013 178.322 176.300 0.015 0.000 0.974 5153 D CA 1.025 55.026 54.000 0.001 0.000 0.841 5153 D CB -0.083 40.720 40.800 0.005 0.000 0.953 5153 D HN 0.290 nan 8.370 nan 0.000 0.478 5154 M N -0.133 119.488 119.600 0.034 0.000 2.117 5154 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 5154 M C 2.251 178.574 176.300 0.037 0.000 1.065 5154 M CA 0.864 56.186 55.300 0.036 0.000 1.114 5154 M CB -0.042 32.585 32.600 0.044 0.000 1.361 5154 M HN -0.115 nan 8.290 nan 0.000 0.408 5155 V N 0.203 120.151 119.914 0.056 0.000 2.358 5155 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 5155 V C 2.579 178.689 176.094 0.026 0.000 1.047 5155 V CA 1.905 64.240 62.300 0.058 0.000 1.035 5155 V CB -1.127 30.766 31.823 0.117 0.000 0.658 5155 V HN 0.511 nan 8.190 nan 0.000 0.452 5156 A N -0.085 122.738 122.820 0.006 0.000 1.969 5156 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 5156 A C 2.175 179.759 177.584 -0.001 0.000 1.169 5156 A CA 1.925 53.956 52.037 -0.010 0.000 0.635 5156 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 5156 A HN 0.551 nan 8.150 nan 0.000 0.445 5157 E N 0.283 120.487 120.200 0.006 0.000 2.107 5157 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 5157 E C 1.653 178.260 176.600 0.011 0.000 0.982 5157 E CA 1.150 57.554 56.400 0.008 0.000 0.809 5157 E CB -0.358 29.349 29.700 0.011 0.000 0.756 5157 E HN 0.644 nan 8.360 nan 0.000 0.459 5158 I N 0.248 120.826 120.570 0.014 0.000 2.252 5158 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 5158 I C 2.271 178.395 176.117 0.011 0.000 1.102 5158 I CA 1.140 62.448 61.300 0.014 0.000 1.385 5158 I CB -0.240 37.770 38.000 0.016 0.000 1.064 5158 I HN 0.061 nan 8.210 nan 0.000 0.414 5159 K N 1.795 122.200 120.400 0.009 0.000 2.063 5159 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 5159 K C 2.035 178.638 176.600 0.005 0.000 1.048 5159 K CA 1.731 58.022 56.287 0.006 0.000 0.928 5159 K CB -0.392 32.109 32.500 0.002 0.000 0.713 5159 K HN 0.270 nan 8.250 nan 0.000 0.442 5160 A N 0.278 123.101 122.820 0.004 0.000 1.972 5160 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 5160 A C 2.140 179.728 177.584 0.007 0.000 1.169 5160 A CA 2.139 54.178 52.037 0.004 0.000 0.635 5160 A CB -1.015 17.987 19.000 0.003 0.000 0.810 5160 A HN 0.568 nan 8.150 nan 0.000 0.446 5161 S N -1.669 114.036 115.700 0.009 0.000 2.442 5161 S HA 0.239 4.708 4.470 -0.001 0.000 0.236 5161 S C 1.647 176.254 174.600 0.013 0.000 1.007 5161 S CA 1.454 59.662 58.200 0.012 0.000 0.965 5161 S CB -0.559 62.651 63.200 0.016 0.000 0.773 5161 S HN 1.988 nan 8.310 nan 0.000 0.504 5162 G N 0.655 109.462 108.800 0.011 0.000 2.175 5162 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.244 5162 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.244 5162 G C 0.253 175.162 174.900 0.014 0.000 0.982 5162 G CA 0.027 45.134 45.100 0.012 0.000 0.641 5162 G HN 1.367 nan 8.290 nan 0.000 0.527 5163 A N 0.000 122.830 122.820 0.015 0.000 2.498 5163 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 5163 A C 1.171 178.760 177.584 0.008 0.000 1.068 5163 A CA 0.959 53.007 52.037 0.017 0.000 0.766 5163 A CB 0.196 19.208 19.000 0.020 0.000 1.003 5163 A HN 0.363 nan 8.150 nan 0.000 0.497 5164 N N 0.333 119.037 118.700 0.007 0.000 2.382 5164 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 5164 N C -0.644 174.850 175.510 -0.027 0.000 1.122 5164 N CA 0.491 53.539 53.050 -0.004 0.000 0.870 5164 N CB 0.884 39.373 38.487 0.004 0.000 1.176 5164 N HN 0.381 nan 8.380 nan 0.000 0.474 5165 V N 2.359 122.255 119.914 -0.030 0.000 2.495 5165 V HA 0.441 4.560 4.120 -0.001 0.000 0.298 5165 V C -0.875 175.148 176.094 -0.119 0.000 1.031 5165 V CA -0.825 61.414 62.300 -0.103 0.000 0.871 5165 V CB 2.364 34.161 31.823 -0.044 0.000 0.988 5165 V HN 0.002 nan 8.190 nan 0.000 0.432 5166 L N 5.630 126.705 121.223 -0.245 0.000 2.372 5166 L HA 0.670 5.010 4.340 -0.001 0.000 0.274 5166 L C -1.325 175.348 176.870 -0.329 0.000 0.988 5166 L CA 0.013 54.751 54.840 -0.170 0.000 0.833 5166 L CB 1.285 43.290 42.059 -0.089 0.000 1.236 5166 L HN 0.472 nan 8.230 nan 0.000 0.410 5167 F N 4.946 124.897 119.950 0.002 0.000 2.361 5167 F HA 0.419 4.945 4.527 -0.001 0.000 0.364 5167 F C 0.256 176.055 175.800 -0.003 0.000 1.117 5167 F CA -0.313 57.685 58.000 -0.003 0.000 1.071 5167 F CB 1.239 40.237 39.000 -0.004 0.000 1.188 5167 F HN 0.489 nan 8.300 nan 0.000 0.464 5168 C N 5.169 124.544 119.300 0.125 0.000 2.295 5168 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 5168 C C 1.680 176.716 174.990 0.077 0.000 1.280 5168 C CA -0.463 58.601 59.018 0.076 0.000 1.746 5168 C CB 0.637 28.394 27.740 0.029 0.000 2.328 5168 C HN 0.937 nan 8.230 nan 0.000 0.521 5169 Q N 3.341 123.177 119.800 0.061 0.000 2.084 5169 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 5169 Q C 0.853 176.870 176.000 0.029 0.000 0.978 5169 Q CA 1.631 57.459 55.803 0.043 0.000 0.844 5169 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 5169 Q HN 0.760 nan 8.270 nan 0.000 0.426 5170 K N -1.145 119.269 120.400 0.023 0.000 2.646 5170 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 5170 K C 0.393 176.998 176.600 0.009 0.000 1.026 5170 K CA -0.190 56.105 56.287 0.013 0.000 1.043 5170 K CB 0.061 32.567 32.500 0.009 0.000 1.383 5170 K HN 0.105 nan 8.250 nan 0.000 0.513 5171 G N 0.278 109.079 108.800 0.000 0.000 2.634 5171 G HA2 0.398 4.358 3.960 -0.001 0.000 0.255 5171 G HA3 0.398 4.358 3.960 -0.001 0.000 0.255 5171 G C -0.499 174.392 174.900 -0.015 0.000 1.205 5171 G CA -0.524 44.570 45.100 -0.009 0.000 0.884 5171 G HN 0.371 nan 8.290 nan 0.000 0.549 5172 I N 0.452 121.005 120.570 -0.028 0.000 2.447 5172 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 5172 I C -0.516 175.565 176.117 -0.059 0.000 1.023 5172 I CA -0.748 60.528 61.300 -0.041 0.000 1.083 5172 I CB 2.040 40.010 38.000 -0.049 0.000 1.245 5172 I HN 0.414 nan 8.210 nan 0.000 0.434 5173 D N 5.365 125.729 120.400 -0.059 0.000 2.414 5173 D HA -0.042 4.597 4.640 -0.001 0.000 0.242 5173 D C 0.668 176.892 176.300 -0.127 0.000 1.129 5173 D CA 0.162 54.118 54.000 -0.074 0.000 0.885 5173 D CB 1.314 42.079 40.800 -0.058 0.000 1.198 5173 D HN 0.500 nan 8.370 nan 0.000 0.437 5174 D N 3.189 123.503 120.400 -0.144 0.000 2.190 5174 D HA -0.183 4.457 4.640 -0.001 0.000 0.200 5174 D C 1.845 177.927 176.300 -0.362 0.000 0.992 5174 D CA 0.555 54.404 54.000 -0.251 0.000 0.854 5174 D CB 0.154 40.848 40.800 -0.177 0.000 0.936 5174 D HN 0.475 nan 8.370 nan 0.000 0.462 5175 L N 0.529 121.631 121.223 -0.201 0.000 2.056 5175 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 5175 L C 2.327 178.980 176.870 -0.362 0.000 1.078 5175 L CA 1.248 55.960 54.840 -0.215 0.000 0.749 5175 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 5175 L HN -0.046 nan 8.230 nan 0.000 0.433 5176 A N -0.848 121.839 122.820 -0.221 0.000 1.969 5176 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 5176 A C 2.063 179.579 177.584 -0.114 0.000 1.169 5176 A CA 1.448 53.410 52.037 -0.125 0.000 0.635 5176 A CB -0.408 18.562 19.000 -0.050 0.000 0.810 5176 A HN 0.595 nan 8.150 nan 0.000 0.445 5177 Q N -1.116 118.564 119.800 -0.199 0.000 2.170 5177 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 5177 Q C 1.933 177.841 176.000 -0.154 0.000 0.976 5177 Q CA 1.358 57.046 55.803 -0.192 0.000 0.858 5177 Q CB -0.252 28.317 28.738 -0.280 0.000 0.907 5177 Q HN 0.748 nan 8.270 nan 0.000 0.433 5178 H N -0.797 118.207 119.070 -0.110 0.000 2.321 5178 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 5178 H C 1.744 177.113 175.328 0.068 0.000 1.087 5178 H CA 1.261 57.263 56.048 -0.077 0.000 1.319 5178 H CB -0.217 29.432 29.762 -0.189 0.000 1.379 5178 H HN 0.305 nan 8.280 nan 0.000 0.501 5179 Y N 0.657 121.024 120.300 0.113 0.000 2.314 5179 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 5179 Y C 2.810 178.727 175.900 0.028 0.000 1.129 5179 Y CA 0.109 58.243 58.100 0.057 0.000 1.201 5179 Y CB -0.902 37.583 38.460 0.041 0.000 0.999 5179 Y HN 0.056 nan 8.280 nan 0.000 0.541 5180 L N -0.761 120.562 121.223 0.167 0.000 2.046 5180 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 5180 L C 2.631 179.534 176.870 0.056 0.000 1.077 5180 L CA 1.254 56.139 54.840 0.076 0.000 0.747 5180 L CB -0.778 41.294 42.059 0.021 0.000 0.896 5180 L HN 0.158 nan 8.230 nan 0.000 0.432 5181 A N -0.051 122.808 122.820 0.065 0.000 1.930 5181 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 5181 A C 2.299 179.923 177.584 0.066 0.000 1.175 5181 A CA 1.507 53.577 52.037 0.056 0.000 0.627 5181 A CB -0.308 18.733 19.000 0.067 0.000 0.815 5181 A HN 0.313 nan 8.150 nan 0.000 0.443 5182 K N -0.382 120.078 120.400 0.100 0.000 2.211 5182 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 5182 K C 1.190 177.816 176.600 0.044 0.000 1.050 5182 K CA 1.163 57.497 56.287 0.079 0.000 0.945 5182 K CB 0.006 32.572 32.500 0.110 0.000 0.732 5182 K HN 0.359 nan 8.250 nan 0.000 0.451 5183 E N -0.469 119.758 120.200 0.045 0.000 2.489 5183 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 5183 E C 0.875 177.484 176.600 0.016 0.000 1.057 5183 E CA 0.420 56.833 56.400 0.022 0.000 0.866 5183 E CB 0.641 30.355 29.700 0.022 0.000 0.916 5183 E HN 0.451 nan 8.360 nan 0.000 0.500 5184 G N 1.921 110.732 108.800 0.019 0.000 2.160 5184 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 5184 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 5184 G C 0.234 175.135 174.900 0.000 0.000 1.008 5184 G CA 0.174 45.280 45.100 0.010 0.000 0.724 5184 G HN 0.269 nan 8.290 nan 0.000 0.514 5185 I N 1.043 121.612 120.570 -0.000 0.000 2.342 5185 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 5185 I C 1.019 177.114 176.117 -0.036 0.000 1.010 5185 I CA -1.087 60.202 61.300 -0.017 0.000 1.308 5185 I CB 1.549 39.542 38.000 -0.012 0.000 1.400 5185 I HN 0.148 nan 8.210 nan 0.000 0.488 5186 V N 3.809 123.687 119.914 -0.061 0.000 2.509 5186 V HA 0.911 5.031 4.120 -0.001 0.000 0.284 5186 V C 0.063 176.062 176.094 -0.158 0.000 1.047 5186 V CA -0.282 61.963 62.300 -0.092 0.000 0.952 5186 V CB 1.172 32.942 31.823 -0.089 0.000 0.988 5186 V HN 0.820 nan 8.190 nan 0.000 0.469 5187 A N 3.623 126.345 122.820 -0.162 0.000 2.515 5187 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 5187 A C -0.329 177.137 177.584 -0.197 0.000 1.059 5187 A CA -0.315 51.601 52.037 -0.202 0.000 0.698 5187 A CB 1.878 20.805 19.000 -0.121 0.000 1.289 5187 A HN 2.330 nan 8.150 nan 0.000 0.404 5188 A N 1.912 124.590 122.820 -0.237 0.000 2.359 5188 A HA 0.739 5.058 4.320 -0.001 0.000 0.303 5188 A C -0.009 177.561 177.584 -0.023 0.000 1.066 5188 A CA -0.649 51.322 52.037 -0.109 0.000 0.730 5188 A CB 0.780 19.735 19.000 -0.076 0.000 1.211 5188 A HN 1.205 nan 8.150 nan 0.000 0.439 5189 R N 1.839 122.335 120.500 -0.007 0.000 2.700 5189 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 5189 R C -0.362 175.954 176.300 0.027 0.000 1.091 5189 R CA -0.782 55.324 56.100 0.009 0.000 1.104 5189 R CB 0.405 30.698 30.300 -0.012 0.000 1.202 5189 R HN 0.493 nan 8.270 nan 0.000 0.532 5190 R N -0.928 119.586 120.500 0.023 0.000 3.516 5190 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 5190 R C -0.681 175.638 176.300 0.032 0.000 1.098 5190 R CA 0.569 56.681 56.100 0.021 0.000 0.732 5190 R CB -2.620 27.686 30.300 0.010 0.000 1.152 5190 R HN 0.528 nan 8.270 nan 0.000 0.455 5191 V N 1.410 121.356 119.914 0.053 0.000 2.572 5191 V HA 0.037 4.156 4.120 -0.001 0.000 0.291 5191 V C 1.467 177.575 176.094 0.024 0.000 1.039 5191 V CA -0.024 62.313 62.300 0.061 0.000 1.055 5191 V CB 1.185 33.076 31.823 0.114 0.000 0.969 5191 V HN 0.153 nan 8.190 nan 0.000 0.482 5192 K N 3.305 123.708 120.400 0.005 0.000 2.382 5192 K HA 0.031 4.350 4.320 -0.001 0.000 0.275 5192 K C 1.209 177.800 176.600 -0.015 0.000 1.009 5192 K CA -0.320 55.963 56.287 -0.008 0.000 0.970 5192 K CB 0.549 33.039 32.500 -0.017 0.000 0.934 5192 K HN 0.608 nan 8.250 nan 0.000 0.479 5193 K N 1.974 122.367 120.400 -0.012 0.000 2.074 5193 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 5193 K C 1.914 178.499 176.600 -0.026 0.000 1.048 5193 K CA 2.229 58.508 56.287 -0.014 0.000 0.926 5193 K CB -0.554 31.941 32.500 -0.010 0.000 0.713 5193 K HN 0.583 nan 8.250 nan 0.000 0.444 5194 S N 0.180 115.863 115.700 -0.029 0.000 2.359 5194 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 5194 S C 1.401 175.966 174.600 -0.058 0.000 1.035 5194 S CA 1.785 59.962 58.200 -0.038 0.000 1.018 5194 S CB -0.554 62.626 63.200 -0.034 0.000 0.876 5194 S HN 0.424 nan 8.310 nan 0.000 0.448 5195 D N 0.912 121.272 120.400 -0.067 0.000 2.144 5195 D HA -0.059 4.580 4.640 -0.001 0.000 0.199 5195 D C 2.000 178.213 176.300 -0.145 0.000 0.984 5195 D CA 0.977 54.911 54.000 -0.110 0.000 0.834 5195 D CB -0.273 40.467 40.800 -0.101 0.000 0.955 5195 D HN 0.382 nan 8.370 nan 0.000 0.465 5196 M N 0.478 120.021 119.600 -0.096 0.000 2.159 5196 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 5196 M C 1.887 178.139 176.300 -0.080 0.000 1.063 5196 M CA 1.199 56.449 55.300 -0.085 0.000 1.110 5196 M CB -0.751 31.830 32.600 -0.031 0.000 1.374 5196 M HN 0.118 nan 8.290 nan 0.000 0.411 5197 E N 0.017 120.178 120.200 -0.065 0.000 2.076 5197 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 5197 E C 2.063 178.625 176.600 -0.064 0.000 0.979 5197 E CA 0.793 57.161 56.400 -0.052 0.000 0.807 5197 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 5197 E HN 0.494 nan 8.360 nan 0.000 0.454 5198 K N 0.681 121.031 120.400 -0.082 0.000 2.097 5198 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 5198 K C 2.197 178.732 176.600 -0.107 0.000 1.049 5198 K CA 0.834 57.069 56.287 -0.086 0.000 0.933 5198 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 5198 K HN 0.106 nan 8.250 nan 0.000 0.442 5199 L N 0.475 121.601 121.223 -0.162 0.000 2.093 5199 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 5199 L C 2.580 179.385 176.870 -0.108 0.000 1.085 5199 L CA 1.029 55.749 54.840 -0.200 0.000 0.755 5199 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 5199 L HN 0.193 nan 8.230 nan 0.000 0.435 5200 A N 0.090 122.863 122.820 -0.078 0.000 1.930 5200 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 5200 A C 2.321 179.890 177.584 -0.025 0.000 1.175 5200 A CA 1.526 53.541 52.037 -0.037 0.000 0.627 5200 A CB -0.280 18.703 19.000 -0.028 0.000 0.815 5200 A HN 0.306 nan 8.150 nan 0.000 0.443 5201 K N -0.314 120.067 120.400 -0.032 0.000 2.026 5201 K HA -0.041 4.278 4.320 -0.001 0.000 0.208 5201 K C 2.333 178.928 176.600 -0.008 0.000 1.048 5201 K CA 1.199 57.475 56.287 -0.019 0.000 0.929 5201 K CB -0.284 32.202 32.500 -0.024 0.000 0.713 5201 K HN 0.437 nan 8.250 nan 0.000 0.439 5202 A N 1.022 123.830 122.820 -0.020 0.000 1.855 5202 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 5202 A C 2.287 179.877 177.584 0.009 0.000 1.195 5202 A CA 2.035 54.067 52.037 -0.007 0.000 0.610 5202 A CB -0.943 18.041 19.000 -0.027 0.000 0.837 5202 A HN 0.452 nan 8.150 nan 0.000 0.444 5203 T N -4.298 110.256 114.554 0.001 0.000 3.043 5203 T HA 0.357 4.706 4.350 -0.001 0.000 0.263 5203 T C 1.486 176.204 174.700 0.030 0.000 1.094 5203 T CA 1.236 63.348 62.100 0.020 0.000 1.127 5203 T CB -0.137 68.744 68.868 0.021 0.000 0.905 5203 T HN 1.773 nan 8.240 nan 0.000 0.490 5204 G N 1.527 110.340 108.800 0.020 0.000 2.143 5204 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 5204 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 5204 G C 0.281 175.193 174.900 0.020 0.000 0.991 5204 G CA 0.036 45.148 45.100 0.022 0.000 0.689 5204 G HN 1.208 nan 8.290 nan 0.000 0.522 5205 A N -0.327 122.504 122.820 0.018 0.000 2.445 5205 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 5205 A C 0.459 178.053 177.584 0.017 0.000 1.075 5205 A CA 0.551 52.603 52.037 0.025 0.000 0.777 5205 A CB 0.378 19.398 19.000 0.034 0.000 1.013 5205 A HN 0.818 nan 8.150 nan 0.000 0.493 5206 N N 1.658 120.370 118.700 0.021 0.000 2.444 5206 N HA 0.359 5.098 4.740 -0.001 0.000 0.262 5206 N C -0.874 174.647 175.510 0.020 0.000 0.974 5206 N CA -0.356 52.703 53.050 0.016 0.000 0.933 5206 N CB 1.161 39.657 38.487 0.015 0.000 1.137 5206 N HN 0.288 nan 8.380 nan 0.000 0.498 5207 V N 4.912 124.834 119.914 0.014 0.000 2.485 5207 V HA 0.142 4.261 4.120 -0.001 0.000 0.287 5207 V C 0.399 176.503 176.094 0.017 0.000 1.022 5207 V CA -0.065 62.245 62.300 0.017 0.000 1.067 5207 V CB -0.122 31.706 31.823 0.009 0.000 0.967 5207 V HN 0.516 nan 8.190 nan 0.000 0.479 5208 I N 4.132 124.715 120.570 0.022 0.000 2.441 5208 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 5208 I C 0.986 177.114 176.117 0.018 0.000 0.994 5208 I CA -0.338 60.974 61.300 0.019 0.000 1.144 5208 I CB 1.315 39.328 38.000 0.021 0.000 1.314 5208 I HN 0.635 nan 8.210 nan 0.000 0.445 5209 A N 5.621 128.450 122.820 0.014 0.000 1.832 5209 A HA 0.355 4.674 4.320 -0.001 0.000 0.214 5209 A C 1.079 178.671 177.584 0.014 0.000 1.204 5209 A CA 1.095 53.140 52.037 0.013 0.000 0.606 5209 A CB -0.176 18.830 19.000 0.010 0.000 0.849 5209 A HN 0.733 nan 8.150 nan 0.000 0.445 5210 A N -1.023 121.805 122.820 0.013 0.000 2.317 5210 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 5210 A C 0.737 178.329 177.584 0.014 0.000 1.178 5210 A CA -0.593 51.451 52.037 0.013 0.000 0.817 5210 A CB 0.403 19.409 19.000 0.011 0.000 1.189 5210 A HN 0.364 nan 8.150 nan 0.000 0.489 5211 I N 1.821 122.399 120.570 0.015 0.000 2.335 5211 I HA -0.331 3.839 4.170 -0.001 0.000 0.251 5211 I C 2.755 178.880 176.117 0.014 0.000 1.129 5211 I CA 1.634 62.944 61.300 0.016 0.000 1.402 5211 I CB -0.246 37.764 38.000 0.016 0.000 1.069 5211 I HN 0.778 nan 8.210 nan 0.000 0.424 5212 A N 0.820 123.647 122.820 0.012 0.000 1.917 5212 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 5212 A C 2.505 180.095 177.584 0.010 0.000 1.182 5212 A CA 2.091 54.134 52.037 0.010 0.000 0.633 5212 A CB -0.745 18.261 19.000 0.009 0.000 0.819 5212 A HN 0.459 nan 8.150 nan 0.000 0.448 5213 A N -1.296 121.530 122.820 0.011 0.000 2.067 5213 A HA 0.291 4.610 4.320 -0.001 0.000 0.217 5213 A C 1.024 178.615 177.584 0.012 0.000 1.156 5213 A CA 0.474 52.517 52.037 0.011 0.000 0.683 5213 A CB -0.451 18.555 19.000 0.010 0.000 0.808 5213 A HN 0.598 nan 8.150 nan 0.000 0.455 5214 L N 1.819 123.050 121.223 0.014 0.000 2.477 5214 L HA 0.360 4.699 4.340 -0.001 0.000 0.272 5214 L C 0.379 177.258 176.870 0.015 0.000 1.157 5214 L CA 0.503 55.353 54.840 0.016 0.000 0.889 5214 L CB 0.386 42.456 42.059 0.019 0.000 1.158 5214 L HN 0.344 nan 8.230 nan 0.000 0.473 5215 S N 3.375 119.084 115.700 0.015 0.000 2.704 5215 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 5215 S C 0.836 175.445 174.600 0.016 0.000 1.138 5215 S CA -0.349 57.859 58.200 0.014 0.000 0.875 5215 S CB 1.277 64.484 63.200 0.012 0.000 1.151 5215 S HN 0.810 nan 8.310 nan 0.000 0.500 5216 A N 0.372 123.201 122.820 0.015 0.000 2.024 5216 A HA -0.082 4.238 4.320 -0.001 0.000 0.220 5216 A C 2.021 179.616 177.584 0.018 0.000 1.164 5216 A CA 1.527 53.574 52.037 0.016 0.000 0.643 5216 A CB -1.059 17.950 19.000 0.014 0.000 0.806 5216 A HN 0.857 nan 8.150 nan 0.000 0.451 5217 Q N -0.519 119.291 119.800 0.016 0.000 2.436 5217 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 5217 Q C 0.546 176.557 176.000 0.018 0.000 0.965 5217 Q CA 0.980 56.792 55.803 0.016 0.000 0.910 5217 Q CB 0.012 28.758 28.738 0.013 0.000 0.980 5217 Q HN 0.612 nan 8.270 nan 0.000 0.491 5218 D N -0.202 120.209 120.400 0.020 0.000 2.350 5218 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 5218 D C -0.146 176.171 176.300 0.028 0.000 1.031 5218 D CA 0.223 54.236 54.000 0.022 0.000 0.861 5218 D CB 0.374 41.186 40.800 0.021 0.000 0.926 5218 D HN 0.096 nan 8.370 nan 0.000 0.520 5219 L N 0.967 122.208 121.223 0.031 0.000 2.380 5219 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 5219 L C 1.285 178.178 176.870 0.040 0.000 1.138 5219 L CA -0.031 54.833 54.840 0.039 0.000 0.832 5219 L CB 1.012 43.093 42.059 0.036 0.000 1.124 5219 L HN -0.174 nan 8.230 nan 0.000 0.454 5220 G N 1.182 110.011 108.800 0.048 0.000 2.488 5220 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 5220 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 5220 G C -1.111 173.820 174.900 0.051 0.000 1.188 5220 G CA -0.460 44.667 45.100 0.046 0.000 0.944 5220 G HN 0.529 nan 8.290 nan 0.000 0.495 5221 D N -0.395 120.034 120.400 0.047 0.000 2.350 5221 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 5221 D C -0.250 176.076 176.300 0.044 0.000 1.036 5221 D CA 0.067 54.093 54.000 0.045 0.000 0.848 5221 D CB 1.971 42.794 40.800 0.039 0.000 1.307 5221 D HN 0.592 nan 8.370 nan 0.000 0.469 5222 A N 0.303 123.151 122.820 0.046 0.000 2.488 5222 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 5222 A C 0.961 178.567 177.584 0.037 0.000 1.044 5222 A CA -0.413 51.651 52.037 0.045 0.000 0.693 5222 A CB 1.614 20.655 19.000 0.069 0.000 1.272 5222 A HN 0.487 nan 8.150 nan 0.000 0.402 5223 G N 0.328 109.143 108.800 0.025 0.000 2.408 5223 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 5223 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 5223 G C 0.284 175.200 174.900 0.026 0.000 1.150 5223 G CA 1.652 46.763 45.100 0.018 0.000 0.776 5223 G HN 1.220 nan 8.290 nan 0.000 0.542 5224 L N 0.122 121.368 121.223 0.039 0.000 2.562 5224 L HA 0.583 4.923 4.340 -0.001 0.000 0.266 5224 L C -1.331 175.585 176.870 0.077 0.000 0.949 5224 L CA -0.733 54.136 54.840 0.047 0.000 0.879 5224 L CB 2.420 44.499 42.059 0.033 0.000 1.278 5224 L HN -0.148 nan 8.230 nan 0.000 0.404 5225 V N 4.495 124.460 119.914 0.084 0.000 2.334 5225 V HA 0.625 4.745 4.120 -0.001 0.000 0.281 5225 V C -0.364 175.792 176.094 0.103 0.000 1.016 5225 V CA -0.426 61.947 62.300 0.121 0.000 0.832 5225 V CB 1.390 33.295 31.823 0.136 0.000 0.999 5225 V HN 0.823 nan 8.190 nan 0.000 0.439 5226 E N 3.270 123.552 120.200 0.138 0.000 2.292 5226 E HA 0.388 4.738 4.350 -0.001 0.000 0.272 5226 E C -0.880 175.820 176.600 0.167 0.000 0.881 5226 E CA -0.681 55.784 56.400 0.108 0.000 0.754 5226 E CB 2.065 31.799 29.700 0.057 0.000 1.201 5226 E HN 0.742 nan 8.360 nan 0.000 0.425 5227 E N 4.422 124.690 120.200 0.114 0.000 2.129 5227 E HA 0.199 4.549 4.350 -0.001 0.000 0.283 5227 E C -0.865 175.801 176.600 0.110 0.000 1.080 5227 E CA -0.156 56.320 56.400 0.128 0.000 0.867 5227 E CB 0.601 30.344 29.700 0.072 0.000 1.056 5227 E HN 0.346 nan 8.360 nan 0.000 0.404 5228 R N 3.597 124.206 120.500 0.183 0.000 2.750 5228 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 5228 R C -0.682 175.707 176.300 0.149 0.000 0.972 5228 R CA -0.924 55.229 56.100 0.088 0.000 0.912 5228 R CB 1.967 32.185 30.300 -0.136 0.000 1.187 5228 R HN 0.329 nan 8.270 nan 0.000 0.464 5229 K N 1.969 122.412 120.400 0.071 0.000 2.159 5229 K HA 0.459 4.779 4.320 -0.001 0.000 0.266 5229 K C -0.758 175.886 176.600 0.073 0.000 0.975 5229 K CA -0.459 55.872 56.287 0.074 0.000 0.865 5229 K CB 1.739 34.262 32.500 0.038 0.000 1.087 5229 K HN 0.434 nan 8.250 nan 0.000 0.446 5230 I N 1.411 122.036 120.570 0.091 0.000 2.468 5230 I HA 0.057 4.226 4.170 -0.001 0.000 0.285 5230 I C -0.635 175.512 176.117 0.051 0.000 1.039 5230 I CA -0.018 61.331 61.300 0.080 0.000 1.074 5230 I CB 1.325 39.404 38.000 0.132 0.000 1.228 5230 I HN 0.700 nan 8.210 nan 0.000 0.436 5231 S N 4.742 120.462 115.700 0.033 0.000 3.587 5231 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 5231 S C 1.070 175.681 174.600 0.019 0.000 1.119 5231 S CA 1.182 59.395 58.200 0.021 0.000 0.976 5231 S CB -1.612 61.599 63.200 0.018 0.000 0.922 5231 S HN 1.595 nan 8.310 nan 0.000 0.503 5232 G N 0.089 108.903 108.800 0.022 0.000 2.284 5232 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 5232 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 5232 G C -0.417 174.498 174.900 0.026 0.000 1.021 5232 G CA 0.123 45.235 45.100 0.020 0.000 0.619 5232 G HN 0.596 nan 8.290 nan 0.000 0.510 5233 D N 1.263 121.682 120.400 0.031 0.000 2.308 5233 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 5233 D C 0.303 176.636 176.300 0.054 0.000 1.127 5233 D CA 0.496 54.517 54.000 0.034 0.000 0.876 5233 D CB 1.614 42.429 40.800 0.025 0.000 1.176 5233 D HN 0.197 nan 8.370 nan 0.000 0.446 5234 S N 2.911 118.640 115.700 0.048 0.000 2.481 5234 S HA 0.398 4.868 4.470 -0.001 0.000 0.276 5234 S C -0.229 174.413 174.600 0.070 0.000 1.247 5234 S CA -0.400 57.840 58.200 0.066 0.000 1.053 5234 S CB 0.034 63.263 63.200 0.047 0.000 0.925 5234 S HN 0.313 nan 8.310 nan 0.000 0.491 5235 M N 4.478 124.148 119.600 0.117 0.000 2.619 5235 M HA 0.532 5.011 4.480 -0.001 0.000 0.297 5235 M C -1.069 175.306 176.300 0.124 0.000 1.229 5235 M CA -0.637 54.701 55.300 0.063 0.000 0.860 5235 M CB 2.153 34.737 32.600 -0.026 0.000 1.741 5235 M HN 0.437 nan 8.290 nan 0.000 0.462 5236 I N 1.689 122.271 120.570 0.021 0.000 2.339 5236 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 5236 I C -1.345 174.753 176.117 -0.030 0.000 0.994 5236 I CA -0.368 61.002 61.300 0.116 0.000 1.191 5236 I CB 0.931 39.033 38.000 0.169 0.000 1.343 5236 I HN 0.437 nan 8.210 nan 0.000 0.458 5237 F N 5.972 125.959 119.950 0.061 0.000 2.385 5237 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 5237 F C 0.093 175.926 175.800 0.056 0.000 1.122 5237 F CA -0.771 57.255 58.000 0.044 0.000 1.090 5237 F CB 1.359 40.376 39.000 0.027 0.000 1.150 5237 F HN 0.016 nan 8.300 nan 0.000 0.472 5238 V N 4.423 124.432 119.914 0.157 0.000 2.311 5238 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 5238 V C -0.299 175.852 176.094 0.094 0.000 1.022 5238 V CA -0.534 61.837 62.300 0.117 0.000 0.830 5238 V CB 0.568 32.426 31.823 0.057 0.000 1.012 5238 V HN 0.839 nan 8.190 nan 0.000 0.452 5239 E N 3.140 123.398 120.200 0.097 0.000 2.446 5239 E HA 0.622 4.971 4.350 -0.001 0.000 0.276 5239 E C -0.669 175.957 176.600 0.044 0.000 0.969 5239 E CA -0.877 55.566 56.400 0.072 0.000 0.800 5239 E CB 1.680 31.435 29.700 0.091 0.000 1.341 5239 E HN 0.220 nan 8.360 nan 0.000 0.460 5240 E N -1.202 119.012 120.200 0.023 0.000 3.181 5240 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 5240 E C -0.552 176.043 176.600 -0.009 0.000 0.936 5240 E CA 0.749 57.150 56.400 0.002 0.000 0.975 5240 E CB -2.398 27.305 29.700 0.006 0.000 1.496 5240 E HN 0.593 nan 8.360 nan 0.000 0.429 5241 C N 0.967 120.264 119.300 -0.005 0.000 2.689 5241 C HA 0.068 4.527 4.460 -0.001 0.000 0.409 5241 C C 2.304 177.257 174.990 -0.061 0.000 1.293 5241 C CA -0.028 58.984 59.018 -0.011 0.000 2.136 5241 C CB 0.419 28.162 27.740 0.005 0.000 2.719 5241 C HN 0.355 nan 8.230 nan 0.000 0.644 5242 K N 0.417 120.773 120.400 -0.072 0.000 2.001 5242 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 5242 K C 0.064 176.375 176.600 -0.481 0.000 1.050 5242 K CA 1.783 57.938 56.287 -0.221 0.000 0.934 5242 K CB -0.136 32.325 32.500 -0.064 0.000 0.718 5242 K HN 0.732 nan 8.250 nan 0.000 0.443 5243 H N -0.405 118.670 119.070 0.007 0.000 2.488 5243 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 5243 H C -2.591 172.738 175.328 0.002 0.000 1.395 5243 H CA -1.751 54.299 56.048 0.005 0.000 1.491 5243 H CB 0.699 30.463 29.762 0.003 0.000 1.567 5243 H HN 0.121 nan 8.280 nan 0.000 0.508 5244 P HA 0.064 nan 4.420 nan 0.000 0.271 5244 P C 0.147 177.471 177.300 0.040 0.000 1.220 5244 P CA -0.519 62.603 63.100 0.037 0.000 0.768 5244 P CB 1.571 33.280 31.700 0.015 0.000 0.848 5245 K N 1.050 121.466 120.400 0.027 0.000 2.399 5245 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 5245 K C 0.373 176.975 176.600 0.004 0.000 1.023 5245 K CA -0.292 56.007 56.287 0.019 0.000 1.127 5245 K CB 0.493 33.002 32.500 0.015 0.000 0.856 5245 K HN 0.543 nan 8.250 nan 0.000 0.514 5246 A N 0.513 123.332 122.820 -0.002 0.000 2.486 5246 A HA 0.662 4.982 4.320 -0.001 0.000 0.300 5246 A C -0.598 176.980 177.584 -0.010 0.000 1.048 5246 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 5246 A CB 1.475 20.459 19.000 -0.027 0.000 1.278 5246 A HN -0.040 nan 8.150 nan 0.000 0.405 5247 V N -1.091 118.817 119.914 -0.010 0.000 3.074 5247 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 5247 V C -0.435 175.651 176.094 -0.014 0.000 1.117 5247 V CA -0.578 61.718 62.300 -0.006 0.000 1.014 5247 V CB 1.714 33.538 31.823 0.003 0.000 1.057 5247 V HN 0.853 nan 8.190 nan 0.000 0.438 5248 T N 4.096 118.644 114.554 -0.010 0.000 2.841 5248 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 5248 T C -0.516 174.182 174.700 -0.003 0.000 0.991 5248 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 5248 T CB 1.346 70.185 68.868 -0.049 0.000 0.962 5248 T HN 0.957 nan 8.240 nan 0.000 0.438 5249 M N 4.894 124.490 119.600 -0.006 0.000 2.063 5249 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 5249 M C -1.155 175.147 176.300 0.003 0.000 1.180 5249 M CA -0.709 54.594 55.300 0.004 0.000 1.059 5249 M CB 0.274 32.875 32.600 0.002 0.000 1.544 5249 M HN 0.532 nan 8.290 nan 0.000 0.447 5250 L N 7.304 128.539 121.223 0.019 0.000 2.259 5250 L HA 0.467 4.807 4.340 -0.001 0.000 0.288 5250 L C -1.042 175.843 176.870 0.025 0.000 1.051 5250 L CA -0.411 54.444 54.840 0.025 0.000 0.824 5250 L CB 0.445 42.542 42.059 0.064 0.000 1.206 5250 L HN 0.754 nan 8.230 nan 0.000 0.429 5251 I N 5.533 126.112 120.570 0.014 0.000 2.325 5251 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 5251 I C 0.226 176.352 176.117 0.014 0.000 1.019 5251 I CA -0.305 61.003 61.300 0.013 0.000 1.302 5251 I CB 0.862 38.866 38.000 0.007 0.000 1.401 5251 I HN 0.578 nan 8.210 nan 0.000 0.485 5252 R N 4.032 124.541 120.500 0.016 0.000 2.828 5252 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 5252 R C -0.238 176.069 176.300 0.012 0.000 1.022 5252 R CA -0.975 55.135 56.100 0.016 0.000 1.021 5252 R CB 2.153 32.465 30.300 0.020 0.000 1.163 5252 R HN 0.831 nan 8.270 nan 0.000 0.494 5253 G N -0.905 107.901 108.800 0.010 0.000 2.340 5253 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 5253 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 5253 G C -0.090 174.815 174.900 0.007 0.000 1.498 5253 G CA -0.479 44.627 45.100 0.010 0.000 0.847 5253 G HN 0.413 nan 8.290 nan 0.000 0.594 5254 T N -0.669 113.891 114.554 0.010 0.000 2.995 5254 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 5254 T C 0.783 175.487 174.700 0.006 0.000 1.091 5254 T CA 2.171 64.277 62.100 0.009 0.000 1.128 5254 T CB -0.219 68.657 68.868 0.013 0.000 0.891 5254 T HN 0.701 nan 8.240 nan 0.000 0.492 5255 T N 1.030 115.588 114.554 0.006 0.000 2.956 5255 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 5255 T C 0.275 174.960 174.700 -0.026 0.000 1.151 5255 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 5255 T CB 2.165 71.050 68.868 0.029 0.000 1.140 5255 T HN -0.109 nan 8.240 nan 0.000 0.473 5256 E N 1.013 121.157 120.200 -0.093 0.000 2.070 5256 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 5256 E C 1.667 178.192 176.600 -0.125 0.000 1.004 5256 E CA 1.671 57.981 56.400 -0.150 0.000 0.805 5256 E CB -0.070 29.470 29.700 -0.266 0.000 0.744 5256 E HN 0.560 nan 8.360 nan 0.000 0.451 5257 H N -0.239 118.834 119.070 0.005 0.000 2.491 5257 H HA -0.009 4.546 4.556 -0.001 0.000 0.290 5257 H C 2.266 177.596 175.328 0.005 0.000 1.050 5257 H CA 0.614 56.665 56.048 0.004 0.000 1.309 5257 H CB -0.040 29.724 29.762 0.004 0.000 1.392 5257 H HN -0.009 nan 8.280 nan 0.000 0.554 5258 V N 1.897 121.877 119.914 0.109 0.000 2.323 5258 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 5258 V C 2.582 178.702 176.094 0.044 0.000 1.041 5258 V CA 1.605 63.944 62.300 0.065 0.000 1.025 5258 V CB -0.456 31.395 31.823 0.046 0.000 0.656 5258 V HN 0.413 nan 8.190 nan 0.000 0.451 5259 I N -1.906 118.681 120.570 0.028 0.000 3.111 5259 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 5259 I C 2.061 178.189 176.117 0.019 0.000 1.268 5259 I CA 1.216 62.526 61.300 0.017 0.000 1.467 5259 I CB -0.556 37.446 38.000 0.004 0.000 1.087 5259 I HN 0.279 nan 8.210 nan 0.000 0.467 5260 E N 1.533 121.752 120.200 0.032 0.000 2.106 5260 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 5260 E C 1.960 178.583 176.600 0.039 0.000 0.984 5260 E CA 1.114 57.539 56.400 0.042 0.000 0.806 5260 E CB 0.041 29.790 29.700 0.082 0.000 0.750 5260 E HN 0.537 nan 8.360 nan 0.000 0.458 5261 E N 0.330 120.556 120.200 0.043 0.000 2.107 5261 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 5261 E C 2.316 178.931 176.600 0.025 0.000 0.982 5261 E CA 0.554 56.973 56.400 0.032 0.000 0.809 5261 E CB -0.043 29.677 29.700 0.034 0.000 0.756 5261 E HN 0.126 nan 8.360 nan 0.000 0.459 5262 V N 1.840 121.768 119.914 0.024 0.000 2.358 5262 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 5262 V C 2.499 178.601 176.094 0.014 0.000 1.047 5262 V CA 1.722 64.033 62.300 0.018 0.000 1.035 5262 V CB -0.885 30.948 31.823 0.017 0.000 0.658 5262 V HN 0.223 nan 8.190 nan 0.000 0.452 5263 A N 0.443 123.271 122.820 0.013 0.000 1.892 5263 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 5263 A C 2.318 179.907 177.584 0.009 0.000 1.188 5263 A CA 2.479 54.522 52.037 0.009 0.000 0.631 5263 A CB -0.550 18.455 19.000 0.007 0.000 0.822 5263 A HN 0.468 nan 8.150 nan 0.000 0.447 5264 R N -0.069 120.438 120.500 0.012 0.000 2.092 5264 R HA 0.069 4.408 4.340 -0.001 0.000 0.231 5264 R C 2.161 178.467 176.300 0.011 0.000 1.119 5264 R CA 1.761 57.867 56.100 0.011 0.000 0.970 5264 R CB -0.882 29.425 30.300 0.012 0.000 0.864 5264 R HN 0.390 nan 8.270 nan 0.000 0.440 5265 A N 0.143 122.971 122.820 0.013 0.000 1.908 5265 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 5265 A C 2.161 179.752 177.584 0.012 0.000 1.181 5265 A CA 1.972 54.018 52.037 0.014 0.000 0.627 5265 A CB -0.853 18.158 19.000 0.017 0.000 0.818 5265 A HN 0.314 nan 8.150 nan 0.000 0.445 5266 V N -2.280 117.640 119.914 0.010 0.000 2.951 5266 V HA -0.046 4.074 4.120 -0.001 0.000 0.255 5266 V C 1.775 177.872 176.094 0.006 0.000 1.088 5266 V CA 2.140 64.445 62.300 0.008 0.000 1.109 5266 V CB -0.664 31.163 31.823 0.007 0.000 0.724 5266 V HN 0.452 nan 8.190 nan 0.000 0.471 5267 D N 1.153 121.556 120.400 0.005 0.000 2.178 5267 D HA -0.189 4.451 4.640 -0.001 0.000 0.201 5267 D C 1.682 177.985 176.300 0.004 0.000 0.980 5267 D CA 1.773 55.775 54.000 0.004 0.000 0.842 5267 D CB -0.043 40.759 40.800 0.003 0.000 0.948 5267 D HN 0.514 nan 8.370 nan 0.000 0.472 5268 D N -0.509 119.894 120.400 0.006 0.000 2.149 5268 D HA 0.034 4.674 4.640 -0.001 0.000 0.206 5268 D C 2.042 178.346 176.300 0.007 0.000 0.967 5268 D CA 1.253 55.257 54.000 0.007 0.000 0.848 5268 D CB -0.611 40.194 40.800 0.009 0.000 0.998 5268 D HN 0.253 nan 8.370 nan 0.000 0.474 5269 A N 0.848 123.673 122.820 0.008 0.000 1.908 5269 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 5269 A C 2.368 179.956 177.584 0.006 0.000 1.181 5269 A CA 1.423 53.465 52.037 0.008 0.000 0.627 5269 A CB -0.923 18.082 19.000 0.008 0.000 0.818 5269 A HN 0.188 nan 8.150 nan 0.000 0.445 5270 V N -0.154 119.763 119.914 0.005 0.000 2.759 5270 V HA -0.073 4.047 4.120 -0.001 0.000 0.256 5270 V C 2.259 178.356 176.094 0.004 0.000 1.080 5270 V CA 2.114 64.416 62.300 0.004 0.000 1.101 5270 V CB -0.616 31.209 31.823 0.003 0.000 0.698 5270 V HN 0.569 nan 8.190 nan 0.000 0.477 5271 G N -0.240 108.562 108.800 0.004 0.000 2.395 5271 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 5271 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 5271 G C 1.616 176.519 174.900 0.005 0.000 1.177 5271 G CA 1.220 46.322 45.100 0.004 0.000 0.794 5271 G HN 0.660 nan 8.290 nan 0.000 0.532 5272 V N -1.076 118.842 119.914 0.006 0.000 2.871 5272 V HA 0.002 4.122 4.120 -0.001 0.000 0.256 5272 V C 2.574 178.671 176.094 0.006 0.000 1.082 5272 V CA 1.198 63.502 62.300 0.007 0.000 1.105 5272 V CB -0.361 31.466 31.823 0.008 0.000 0.713 5272 V HN 0.114 nan 8.190 nan 0.000 0.473 5273 V N 2.012 121.929 119.914 0.006 0.000 2.379 5273 V HA -0.005 4.115 4.120 -0.001 0.000 0.245 5273 V C 2.919 179.016 176.094 0.005 0.000 1.044 5273 V CA 2.123 64.426 62.300 0.005 0.000 1.036 5273 V CB -1.316 30.509 31.823 0.004 0.000 0.664 5273 V HN 0.605 nan 8.190 nan 0.000 0.453 5274 G N -1.365 107.438 108.800 0.005 0.000 2.418 5274 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 5274 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 5274 G C 1.887 176.790 174.900 0.005 0.000 1.158 5274 G CA 1.200 46.303 45.100 0.004 0.000 0.771 5274 G HN 0.529 nan 8.290 nan 0.000 0.545 5275 C N 0.535 119.838 119.300 0.005 0.000 2.429 5275 C HA -0.022 4.438 4.460 -0.001 0.000 0.277 5275 C C 3.151 178.145 174.990 0.007 0.000 1.262 5275 C CA 2.002 61.024 59.018 0.006 0.000 1.733 5275 C CB -1.052 26.692 27.740 0.007 0.000 2.010 5275 C HN 0.400 nan 8.230 nan 0.000 0.483 5276 T N 1.017 115.575 114.554 0.007 0.000 2.833 5276 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 5276 T C 1.570 176.274 174.700 0.006 0.000 1.054 5276 T CA 1.813 63.917 62.100 0.007 0.000 1.135 5276 T CB -0.247 68.624 68.868 0.006 0.000 0.869 5276 T HN 0.590 nan 8.240 nan 0.000 0.466 5277 I N 0.633 121.206 120.570 0.005 0.000 2.286 5277 I HA -0.074 4.095 4.170 -0.001 0.000 0.245 5277 I C 2.538 178.659 176.117 0.005 0.000 1.104 5277 I CA 1.205 62.508 61.300 0.005 0.000 1.397 5277 I CB -0.254 37.748 38.000 0.005 0.000 1.072 5277 I HN 0.261 nan 8.210 nan 0.000 0.417 5278 E N 0.161 120.365 120.200 0.005 0.000 2.152 5278 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 5278 E C -0.114 176.489 176.600 0.006 0.000 0.983 5278 E CA 0.699 57.103 56.400 0.005 0.000 0.818 5278 E CB 0.221 29.924 29.700 0.005 0.000 0.758 5278 E HN 0.375 nan 8.360 nan 0.000 0.467 5279 D N -0.533 119.871 120.400 0.007 0.000 2.505 5279 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 5279 D C -0.060 176.244 176.300 0.008 0.000 1.164 5279 D CA -0.165 53.840 54.000 0.008 0.000 0.870 5279 D CB 1.720 42.525 40.800 0.009 0.000 1.160 5279 D HN 0.084 nan 8.370 nan 0.000 0.549 5280 G N 2.060 110.865 108.800 0.008 0.000 3.279 5280 G HA2 0.005 3.964 3.960 -0.001 0.000 0.230 5280 G HA3 0.005 3.964 3.960 -0.001 0.000 0.230 5280 G C 0.616 175.521 174.900 0.009 0.000 1.230 5280 G CA -0.096 45.009 45.100 0.007 0.000 0.891 5280 G HN 0.096 nan 8.290 nan 0.000 0.518 5281 R N -0.068 120.438 120.500 0.010 0.000 2.437 5281 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 5281 R C -0.476 175.831 176.300 0.012 0.000 0.955 5281 R CA -0.574 55.533 56.100 0.012 0.000 0.851 5281 R CB 1.519 31.827 30.300 0.013 0.000 1.161 5281 R HN 0.305 nan 8.270 nan 0.000 0.446 5282 I N -0.197 120.381 120.570 0.013 0.000 3.042 5282 I HA 0.843 5.012 4.170 -0.001 0.000 0.310 5282 I C -0.546 175.580 176.117 0.016 0.000 1.117 5282 I CA -1.245 60.062 61.300 0.013 0.000 1.003 5282 I CB 2.160 40.167 38.000 0.011 0.000 1.228 5282 I HN 0.315 nan 8.210 nan 0.000 0.443 5283 V N 0.137 120.062 119.914 0.017 0.000 3.130 5283 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 5283 V C 0.072 176.180 176.094 0.023 0.000 1.158 5283 V CA -0.405 61.908 62.300 0.021 0.000 1.029 5283 V CB 1.161 32.998 31.823 0.024 0.000 1.057 5283 V HN 1.156 nan 8.190 nan 0.000 0.436 5284 S N 1.512 117.229 115.700 0.028 0.000 2.576 5284 S HA 0.700 5.170 4.470 -0.001 0.000 0.276 5284 S C 0.488 175.106 174.600 0.031 0.000 1.339 5284 S CA 0.154 58.372 58.200 0.030 0.000 1.039 5284 S CB 0.897 64.120 63.200 0.037 0.000 0.902 5284 S HN 1.803 nan 8.310 nan 0.000 0.516 5285 G N 0.068 108.886 108.800 0.031 0.000 2.641 5285 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 5285 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 5285 G C 0.893 175.812 174.900 0.031 0.000 1.402 5285 G CA -0.563 44.554 45.100 0.029 0.000 1.046 5285 G HN 2.025 nan 8.290 nan 0.000 0.565 5286 G N -2.223 106.594 108.800 0.029 0.000 2.155 5286 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 5286 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 5286 G C 1.460 176.361 174.900 0.003 0.000 0.983 5286 G CA 1.159 46.274 45.100 0.025 0.000 0.676 5286 G HN 2.515 nan 8.290 nan 0.000 0.528 5287 G N -1.296 107.499 108.800 -0.009 0.000 2.157 5287 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.248 5287 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.248 5287 G C 1.417 176.288 174.900 -0.049 0.000 0.979 5287 G CA 1.654 46.733 45.100 -0.036 0.000 0.650 5287 G HN 1.938 nan 8.290 nan 0.000 0.529 5288 S N 0.057 115.753 115.700 -0.007 0.000 2.368 5288 S HA -0.162 4.308 4.470 -0.001 0.000 0.225 5288 S C 2.799 177.390 174.600 -0.015 0.000 1.030 5288 S CA 2.800 61.015 58.200 0.026 0.000 0.999 5288 S CB -0.528 62.739 63.200 0.112 0.000 0.844 5288 S HN 1.409 nan 8.310 nan 0.000 0.459 5289 T N -0.393 114.161 114.554 0.001 0.000 2.701 5289 T HA -0.047 4.303 4.350 -0.001 0.000 0.263 5289 T C 1.565 176.230 174.700 -0.058 0.000 1.040 5289 T CA 1.541 63.641 62.100 -0.001 0.000 1.147 5289 T CB -0.874 67.999 68.868 0.008 0.000 0.865 5289 T HN 0.405 nan 8.240 nan 0.000 0.426 5290 E N 1.053 121.207 120.200 -0.076 0.000 2.130 5290 E HA -0.076 4.273 4.350 -0.001 0.000 0.196 5290 E C 2.289 178.798 176.600 -0.153 0.000 0.998 5290 E CA 1.076 57.413 56.400 -0.105 0.000 0.806 5290 E CB -0.767 28.873 29.700 -0.101 0.000 0.738 5290 E HN 0.434 nan 8.360 nan 0.000 0.459 5291 V N 0.439 120.215 119.914 -0.230 0.000 2.323 5291 V HA -0.222 3.898 4.120 -0.001 0.000 0.244 5291 V C 2.286 178.141 176.094 -0.399 0.000 1.041 5291 V CA 1.843 63.928 62.300 -0.360 0.000 1.025 5291 V CB -0.437 31.053 31.823 -0.555 0.000 0.656 5291 V HN 0.212 nan 8.190 nan 0.000 0.451 5292 E N 0.617 120.576 120.200 -0.402 0.000 2.097 5292 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 5292 E C 2.033 178.599 176.600 -0.057 0.000 1.000 5292 E CA 1.714 58.080 56.400 -0.056 0.000 0.804 5292 E CB -0.398 29.383 29.700 0.135 0.000 0.740 5292 E HN 0.557 nan 8.360 nan 0.000 0.454 5293 L N -0.149 121.030 121.223 -0.072 0.000 2.056 5293 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 5293 L C 2.542 179.364 176.870 -0.080 0.000 1.078 5293 L CA 1.270 56.076 54.840 -0.056 0.000 0.749 5293 L CB -0.390 41.653 42.059 -0.027 0.000 0.901 5293 L HN 0.110 nan 8.230 nan 0.000 0.433 5294 S N -0.561 115.079 115.700 -0.099 0.000 2.382 5294 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 5294 S C 2.015 176.560 174.600 -0.091 0.000 1.027 5294 S CA 1.224 59.369 58.200 -0.091 0.000 0.991 5294 S CB -0.109 63.028 63.200 -0.104 0.000 0.823 5294 S HN 0.270 nan 8.310 nan 0.000 0.469 5295 M N 1.383 120.924 119.600 -0.097 0.000 2.064 5295 M HA -0.049 4.430 4.480 -0.001 0.000 0.260 5295 M C 2.042 178.258 176.300 -0.140 0.000 1.073 5295 M CA 1.608 56.861 55.300 -0.077 0.000 1.124 5295 M CB -1.105 31.484 32.600 -0.018 0.000 1.326 5295 M HN 0.224 nan 8.290 nan 0.000 0.410 5296 K N 0.252 120.522 120.400 -0.216 0.000 2.103 5296 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 5296 K C 2.061 178.148 176.600 -0.854 0.000 1.052 5296 K CA 0.872 56.867 56.287 -0.486 0.000 0.945 5296 K CB -0.178 32.049 32.500 -0.455 0.000 0.722 5296 K HN 0.261 nan 8.250 nan 0.000 0.443 5297 L N 0.534 121.464 121.223 -0.488 0.000 2.201 5297 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 5297 L C 2.340 179.153 176.870 -0.096 0.000 1.105 5297 L CA 0.963 55.646 54.840 -0.262 0.000 0.775 5297 L CB -0.275 41.778 42.059 -0.009 0.000 0.913 5297 L HN 0.129 nan 8.230 nan 0.000 0.440 5298 R N 0.043 120.484 120.500 -0.098 0.000 2.115 5298 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 5298 R C 2.082 178.379 176.300 -0.005 0.000 1.111 5298 R CA 1.222 57.306 56.100 -0.027 0.000 0.976 5298 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 5298 R HN 0.463 nan 8.270 nan 0.000 0.445 5299 E N -0.523 119.646 120.200 -0.051 0.000 2.107 5299 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 5299 E C 1.574 178.295 176.600 0.202 0.000 0.982 5299 E CA 0.808 57.234 56.400 0.044 0.000 0.809 5299 E CB 0.015 29.729 29.700 0.023 0.000 0.756 5299 E HN 0.320 nan 8.360 nan 0.000 0.459 5300 Y N 0.654 120.969 120.300 0.026 0.000 2.224 5300 Y HA -0.087 4.463 4.550 -0.001 0.000 0.289 5300 Y C 2.399 178.311 175.900 0.019 0.000 1.146 5300 Y CA 0.586 58.699 58.100 0.020 0.000 1.182 5300 Y CB -1.157 37.315 38.460 0.020 0.000 0.983 5300 Y HN 0.033 nan 8.280 nan 0.000 0.524 5301 A N 0.269 123.200 122.820 0.186 0.000 1.940 5301 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 5301 A C 2.175 179.810 177.584 0.085 0.000 1.176 5301 A CA 1.673 53.779 52.037 0.114 0.000 0.631 5301 A CB -0.395 18.660 19.000 0.092 0.000 0.814 5301 A HN 0.318 nan 8.150 nan 0.000 0.446 5302 E N -0.546 119.704 120.200 0.084 0.000 2.106 5302 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 5302 E C 2.147 178.780 176.600 0.055 0.000 0.984 5302 E CA 1.140 57.577 56.400 0.062 0.000 0.806 5302 E CB -0.611 29.124 29.700 0.058 0.000 0.750 5302 E HN 0.595 nan 8.360 nan 0.000 0.458 5303 G N 0.915 109.756 108.800 0.069 0.000 2.430 5303 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 5303 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 5303 G C 1.742 176.658 174.900 0.027 0.000 1.146 5303 G CA 0.161 45.287 45.100 0.043 0.000 0.793 5303 G HN 0.142 nan 8.290 nan 0.000 0.537 5304 I N -0.105 120.487 120.570 0.037 0.000 2.163 5304 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 5304 I C 1.762 177.891 176.117 0.019 0.000 1.081 5304 I CA 0.830 62.144 61.300 0.023 0.000 1.353 5304 I CB -0.306 37.715 38.000 0.034 0.000 1.054 5304 I HN 0.307 nan 8.210 nan 0.000 0.407 5305 S N -1.136 114.581 115.700 0.028 0.000 3.513 5305 S HA -0.119 4.351 4.470 -0.001 0.000 0.636 5305 S C 0.448 175.059 174.600 0.017 0.000 2.452 5305 S CA 0.755 58.969 58.200 0.022 0.000 2.644 5305 S CB -1.419 61.791 63.200 0.016 0.000 0.331 5305 S HN 1.458 nan 8.310 nan 0.000 1.787 5306 G N 0.665 109.472 108.800 0.013 0.000 2.601 5306 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 5306 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 5306 G C 0.329 175.236 174.900 0.011 0.000 1.289 5306 G CA 0.967 46.072 45.100 0.008 0.000 0.920 5306 G HN 1.090 nan 8.290 nan 0.000 0.571 5307 R N 0.214 120.718 120.500 0.007 0.000 2.115 5307 R HA 0.026 4.365 4.340 -0.001 0.000 0.226 5307 R C 2.534 178.841 176.300 0.011 0.000 1.100 5307 R CA 1.371 57.477 56.100 0.010 0.000 0.980 5307 R CB -0.234 30.070 30.300 0.007 0.000 0.875 5307 R HN 0.716 nan 8.270 nan 0.000 0.445 5308 E N 0.952 121.156 120.200 0.007 0.000 2.171 5308 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 5308 E C 2.058 178.676 176.600 0.030 0.000 0.997 5308 E CA 1.076 57.480 56.400 0.008 0.000 0.810 5308 E CB 0.100 29.801 29.700 0.001 0.000 0.738 5308 E HN 0.205 nan 8.360 nan 0.000 0.467 5309 Q N 0.595 120.416 119.800 0.035 0.000 2.226 5309 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 5309 Q C 2.144 178.182 176.000 0.063 0.000 0.975 5309 Q CA 0.923 56.757 55.803 0.051 0.000 0.866 5309 Q CB -0.067 28.697 28.738 0.043 0.000 0.915 5309 Q HN 0.431 nan 8.270 nan 0.000 0.440 5310 L N 0.049 121.303 121.223 0.053 0.000 2.027 5310 L HA -0.140 4.200 4.340 -0.001 0.000 0.206 5310 L C 2.606 179.534 176.870 0.096 0.000 1.074 5310 L CA 1.266 56.142 54.840 0.060 0.000 0.745 5310 L CB -0.657 41.426 42.059 0.039 0.000 0.898 5310 L HN 0.166 nan 8.230 nan 0.000 0.433 5311 A N -0.552 122.324 122.820 0.092 0.000 1.929 5311 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 5311 A C 2.312 180.097 177.584 0.336 0.000 1.176 5311 A CA 1.280 53.416 52.037 0.166 0.000 0.628 5311 A CB -0.679 18.304 19.000 -0.029 0.000 0.816 5311 A HN 0.178 nan 8.150 nan 0.000 0.444 5312 V N 0.136 120.175 119.914 0.209 0.000 2.343 5312 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 5312 V C 2.672 178.897 176.094 0.217 0.000 1.051 5312 V CA 2.327 64.747 62.300 0.200 0.000 1.036 5312 V CB -0.789 31.102 31.823 0.112 0.000 0.654 5312 V HN 0.623 nan 8.190 nan 0.000 0.451 5313 R N 1.128 121.724 120.500 0.160 0.000 2.081 5313 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 5313 R C 2.158 178.532 176.300 0.124 0.000 1.131 5313 R CA 1.922 58.093 56.100 0.118 0.000 0.960 5313 R CB -0.991 29.358 30.300 0.081 0.000 0.856 5313 R HN 0.431 nan 8.270 nan 0.000 0.436 5314 A N -0.454 122.465 122.820 0.165 0.000 1.933 5314 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 5314 A C 2.157 179.808 177.584 0.111 0.000 1.175 5314 A CA 1.331 53.459 52.037 0.151 0.000 0.628 5314 A CB -0.840 18.291 19.000 0.218 0.000 0.814 5314 A HN 0.486 nan 8.150 nan 0.000 0.444 5315 F N 0.983 120.944 119.950 0.018 0.000 2.075 5315 F HA -0.103 4.424 4.527 -0.001 0.000 0.297 5315 F C 2.536 178.258 175.800 -0.130 0.000 1.113 5315 F CA 1.517 59.400 58.000 -0.195 0.000 1.218 5315 F CB -0.397 38.518 39.000 -0.142 0.000 0.984 5315 F HN 0.245 nan 8.300 nan 0.000 0.472 5316 A N -0.170 122.722 122.820 0.121 0.000 1.902 5316 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 5316 A C 1.889 179.419 177.584 -0.089 0.000 1.181 5316 A CA 1.964 54.010 52.037 0.014 0.000 0.623 5316 A CB -0.977 18.064 19.000 0.069 0.000 0.818 5316 A HN 0.457 nan 8.150 nan 0.000 0.443 5317 D N 0.022 120.387 120.400 -0.058 0.000 2.219 5317 D HA 0.024 4.664 4.640 -0.001 0.000 0.205 5317 D C 2.116 178.348 176.300 -0.113 0.000 0.970 5317 D CA 1.191 55.151 54.000 -0.067 0.000 0.851 5317 D CB -0.350 40.434 40.800 -0.027 0.000 0.943 5317 D HN 0.426 nan 8.370 nan 0.000 0.488 5318 A N 0.620 123.336 122.820 -0.172 0.000 2.024 5318 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 5318 A C 2.244 179.696 177.584 -0.220 0.000 1.164 5318 A CA 0.766 52.674 52.037 -0.215 0.000 0.643 5318 A CB -0.714 18.086 19.000 -0.333 0.000 0.806 5318 A HN 0.245 nan 8.150 nan 0.000 0.451 5319 L N -0.359 120.719 121.223 -0.243 0.000 2.265 5319 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 5319 L C 2.014 178.799 176.870 -0.142 0.000 1.117 5319 L CA 0.769 55.488 54.840 -0.202 0.000 0.782 5319 L CB -0.452 41.490 42.059 -0.195 0.000 0.914 5319 L HN 0.326 nan 8.230 nan 0.000 0.441 5320 E N -0.322 119.804 120.200 -0.123 0.000 2.409 5320 E HA -0.141 4.208 4.350 -0.001 0.000 0.198 5320 E C 2.181 178.731 176.600 -0.084 0.000 1.024 5320 E CA 0.607 56.950 56.400 -0.095 0.000 0.861 5320 E CB -0.192 29.460 29.700 -0.080 0.000 0.788 5320 E HN 0.306 nan 8.360 nan 0.000 0.521 5321 V N 0.864 120.723 119.914 -0.092 0.000 2.759 5321 V HA -0.187 3.932 4.120 -0.001 0.000 0.256 5321 V C 1.781 177.831 176.094 -0.073 0.000 1.080 5321 V CA 0.911 63.163 62.300 -0.079 0.000 1.101 5321 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 5321 V HN 0.127 nan 8.190 nan 0.000 0.477 5322 I N 0.491 121.013 120.570 -0.080 0.000 2.296 5322 I HA 0.018 4.187 4.170 -0.001 0.000 0.242 5322 I C 0.129 176.208 176.117 -0.063 0.000 1.087 5322 I CA 1.183 62.441 61.300 -0.071 0.000 1.393 5322 I CB -2.735 35.221 38.000 -0.074 0.000 1.093 5322 I HN 0.307 nan 8.210 nan 0.000 0.421 5323 P HA -0.162 nan 4.420 nan 0.000 0.216 5323 P C 1.826 179.094 177.300 -0.053 0.000 1.150 5323 P CA 1.426 64.491 63.100 -0.058 0.000 0.843 5323 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 5324 R N -0.627 119.840 120.500 -0.055 0.000 2.052 5324 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 5324 R C 1.932 178.203 176.300 -0.048 0.000 1.145 5324 R CA 1.994 58.064 56.100 -0.049 0.000 0.952 5324 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 5324 R HN 0.057 nan 8.270 nan 0.000 0.431 5325 T N 2.608 117.131 114.554 -0.051 0.000 2.833 5325 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 5325 T C 1.724 176.391 174.700 -0.054 0.000 1.054 5325 T CA 1.137 63.207 62.100 -0.050 0.000 1.135 5325 T CB -0.219 68.619 68.868 -0.051 0.000 0.869 5325 T HN 0.113 nan 8.240 nan 0.000 0.466 5326 L N 1.608 122.797 121.223 -0.057 0.000 1.994 5326 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 5326 L C 2.618 179.447 176.870 -0.068 0.000 1.071 5326 L CA 2.045 56.846 54.840 -0.065 0.000 0.745 5326 L CB -1.064 40.959 42.059 -0.061 0.000 0.892 5326 L HN 0.206 nan 8.230 nan 0.000 0.431 5327 A N -1.176 121.609 122.820 -0.057 0.000 2.019 5327 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 5327 A C 2.210 179.764 177.584 -0.050 0.000 1.164 5327 A CA 1.649 53.654 52.037 -0.053 0.000 0.644 5327 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 5327 A HN 0.574 nan 8.150 nan 0.000 0.449 5328 E N 0.580 120.751 120.200 -0.048 0.000 2.072 5328 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 5328 E C 1.704 178.276 176.600 -0.047 0.000 0.985 5328 E CA 1.448 57.822 56.400 -0.043 0.000 0.801 5328 E CB -0.162 29.514 29.700 -0.041 0.000 0.750 5328 E HN 0.548 nan 8.360 nan 0.000 0.452 5329 N N -0.056 118.611 118.700 -0.055 0.000 2.309 5329 N HA -0.090 4.650 4.740 -0.001 0.000 0.182 5329 N C 1.270 176.737 175.510 -0.071 0.000 1.018 5329 N CA 1.138 54.151 53.050 -0.061 0.000 0.876 5329 N CB -0.249 38.198 38.487 -0.067 0.000 0.972 5329 N HN 0.246 nan 8.380 nan 0.000 0.434 5330 A N -0.076 122.697 122.820 -0.079 0.000 2.119 5330 A HA 0.315 4.635 4.320 -0.001 0.000 0.216 5330 A C 1.481 179.029 177.584 -0.060 0.000 1.152 5330 A CA 1.031 53.017 52.037 -0.086 0.000 0.708 5330 A CB -0.395 18.547 19.000 -0.096 0.000 0.805 5330 A HN 0.308 nan 8.150 nan 0.000 0.460 5331 G N -1.274 107.497 108.800 -0.048 0.000 2.149 5331 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 5331 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 5331 G C -0.032 174.849 174.900 -0.030 0.000 1.018 5331 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 5331 G HN 0.443 nan 8.290 nan 0.000 0.508 5332 L N -0.214 120.989 121.223 -0.033 0.000 2.387 5332 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 5332 L C 0.539 177.395 176.870 -0.024 0.000 1.059 5332 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 5332 L CB 0.781 42.822 42.059 -0.029 0.000 1.223 5332 L HN 0.100 nan 8.230 nan 0.000 0.456 5333 D N 0.800 121.188 120.400 -0.019 0.000 2.363 5333 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 5333 D C 0.747 177.035 176.300 -0.021 0.000 1.258 5333 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 5333 D CB 1.743 42.535 40.800 -0.014 0.000 1.107 5333 D HN 0.629 nan 8.370 nan 0.000 0.495 5334 A N 5.318 128.124 122.820 -0.023 0.000 1.940 5334 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 5334 A C 2.071 179.641 177.584 -0.024 0.000 1.176 5334 A CA 0.945 52.966 52.037 -0.026 0.000 0.631 5334 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 5334 A HN 0.698 nan 8.150 nan 0.000 0.446 5335 I N -0.708 119.850 120.570 -0.020 0.000 2.296 5335 I HA -0.120 4.050 4.170 -0.001 0.000 0.242 5335 I C 2.437 178.545 176.117 -0.015 0.000 1.087 5335 I CA 1.585 62.875 61.300 -0.018 0.000 1.393 5335 I CB -1.525 36.467 38.000 -0.015 0.000 1.093 5335 I HN 0.563 nan 8.210 nan 0.000 0.421 5336 E N 1.256 121.449 120.200 -0.013 0.000 2.077 5336 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 5336 E C 2.327 178.921 176.600 -0.010 0.000 0.989 5336 E CA 1.160 57.554 56.400 -0.010 0.000 0.800 5336 E CB 0.177 29.872 29.700 -0.008 0.000 0.746 5336 E HN 0.208 nan 8.360 nan 0.000 0.452 5337 I N 0.877 121.439 120.570 -0.013 0.000 2.127 5337 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 5337 I C 2.416 178.525 176.117 -0.014 0.000 1.075 5337 I CA 1.014 62.306 61.300 -0.013 0.000 1.334 5337 I CB -0.984 37.005 38.000 -0.019 0.000 1.040 5337 I HN 0.275 nan 8.210 nan 0.000 0.405 5338 L N 0.009 121.220 121.223 -0.020 0.000 2.131 5338 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 5338 L C 2.541 179.400 176.870 -0.019 0.000 1.092 5338 L CA 1.254 56.079 54.840 -0.025 0.000 0.759 5338 L CB -0.952 41.088 42.059 -0.031 0.000 0.903 5338 L HN 0.004 nan 8.230 nan 0.000 0.435 5339 V N -1.155 118.751 119.914 -0.013 0.000 2.323 5339 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 5339 V C 2.487 178.582 176.094 0.001 0.000 1.041 5339 V CA 1.377 63.673 62.300 -0.006 0.000 1.025 5339 V CB -0.391 31.429 31.823 -0.005 0.000 0.656 5339 V HN 0.300 nan 8.190 nan 0.000 0.451 5340 K N -0.185 120.216 120.400 0.001 0.000 2.155 5340 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 5340 K C 1.864 178.473 176.600 0.015 0.000 1.052 5340 K CA 0.852 57.144 56.287 0.007 0.000 0.948 5340 K CB -0.438 32.065 32.500 0.005 0.000 0.728 5340 K HN 0.313 nan 8.250 nan 0.000 0.448 5341 V N 0.508 120.430 119.914 0.013 0.000 2.346 5341 V HA -0.157 3.963 4.120 -0.001 0.000 0.244 5341 V C 2.064 178.184 176.094 0.043 0.000 1.037 5341 V CA 1.531 63.845 62.300 0.023 0.000 1.029 5341 V CB -0.296 31.528 31.823 0.002 0.000 0.663 5341 V HN 0.224 nan 8.190 nan 0.000 0.454 5342 R N 0.154 120.664 120.500 0.017 0.000 2.115 5342 R HA -0.056 4.284 4.340 -0.001 0.000 0.230 5342 R C 2.390 178.727 176.300 0.061 0.000 1.111 5342 R CA 1.325 57.439 56.100 0.024 0.000 0.976 5342 R CB -0.492 29.801 30.300 -0.012 0.000 0.870 5342 R HN 0.534 nan 8.270 nan 0.000 0.445 5343 A N 1.273 124.116 122.820 0.039 0.000 1.873 5343 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 5343 A C 2.364 179.972 177.584 0.040 0.000 1.186 5343 A CA 1.551 53.609 52.037 0.034 0.000 0.616 5343 A CB -0.611 18.400 19.000 0.019 0.000 0.823 5343 A HN 0.365 nan 8.150 nan 0.000 0.442 5344 A N -1.069 121.778 122.820 0.045 0.000 1.933 5344 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 5344 A C 2.005 179.616 177.584 0.044 0.000 1.175 5344 A CA 2.072 54.131 52.037 0.037 0.000 0.628 5344 A CB -0.857 18.165 19.000 0.036 0.000 0.814 5344 A HN 0.781 nan 8.150 nan 0.000 0.444 5345 H N -0.207 118.859 119.070 -0.007 0.000 2.326 5345 H HA 0.054 4.609 4.556 -0.001 0.000 0.301 5345 H C 2.216 177.539 175.328 -0.008 0.000 1.081 5345 H CA 1.971 58.014 56.048 -0.008 0.000 1.334 5345 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 5345 H HN 0.388 nan 8.280 nan 0.000 0.504 5346 A N -0.640 122.243 122.820 0.104 0.000 1.908 5346 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 5346 A C 2.568 180.141 177.584 -0.019 0.000 1.181 5346 A CA 2.060 54.129 52.037 0.053 0.000 0.627 5346 A CB -1.064 17.974 19.000 0.063 0.000 0.818 5346 A HN 0.515 nan 8.150 nan 0.000 0.445 5347 S N -0.640 115.049 115.700 -0.019 0.000 2.341 5347 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 5347 S C 1.875 176.446 174.600 -0.048 0.000 1.034 5347 S CA 1.060 59.244 58.200 -0.025 0.000 0.964 5347 S CB -0.397 62.797 63.200 -0.011 0.000 0.882 5347 S HN 0.596 nan 8.310 nan 0.000 0.469 5348 N N 1.085 119.750 118.700 -0.058 0.000 2.354 5348 N HA 0.231 4.971 4.740 -0.001 0.000 0.179 5348 N C 1.063 176.508 175.510 -0.109 0.000 1.021 5348 N CA 1.018 54.029 53.050 -0.065 0.000 0.887 5348 N CB -0.129 38.332 38.487 -0.044 0.000 0.974 5348 N HN 0.623 nan 8.380 nan 0.000 0.437 5349 G N 0.670 109.346 108.800 -0.206 0.000 2.498 5349 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 5349 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 5349 G C 0.145 174.785 174.900 -0.433 0.000 1.284 5349 G CA 0.043 44.960 45.100 -0.305 0.000 0.950 5349 G HN 0.349 nan 8.290 nan 0.000 0.511 5350 N N -0.308 118.191 118.700 -0.335 0.000 2.446 5350 N HA 0.003 4.743 4.740 -0.001 0.000 0.179 5350 N C 1.592 177.098 175.510 -0.006 0.000 1.054 5350 N CA 1.611 54.600 53.050 -0.101 0.000 0.905 5350 N CB -0.077 38.454 38.487 0.073 0.000 0.973 5350 N HN 0.883 nan 8.380 nan 0.000 0.448 5351 K N -1.002 119.376 120.400 -0.037 0.000 2.374 5351 K HA 0.266 4.585 4.320 -0.001 0.000 0.196 5351 K C -0.321 176.271 176.600 -0.013 0.000 1.023 5351 K CA -0.016 56.264 56.287 -0.012 0.000 1.103 5351 K CB 0.078 32.570 32.500 -0.015 0.000 0.848 5351 K HN 0.118 nan 8.250 nan 0.000 0.528 5352 C N 1.521 120.804 119.300 -0.027 0.000 3.114 5352 C HA 0.688 5.148 4.460 -0.001 0.000 0.215 5352 C C 0.142 175.132 174.990 -0.001 0.000 1.759 5352 C CA -0.706 58.301 59.018 -0.017 0.000 1.455 5352 C CB -0.570 27.149 27.740 -0.035 0.000 2.528 5352 C HN 0.599 nan 8.230 nan 0.000 0.511 5353 A N 0.077 122.917 122.820 0.034 0.000 2.593 5353 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 5353 A C -0.075 177.554 177.584 0.075 0.000 1.233 5353 A CA 0.222 52.307 52.037 0.079 0.000 0.661 5353 A CB 0.342 19.452 19.000 0.183 0.000 1.338 5353 A HN 1.915 nan 8.150 nan 0.000 0.495 5354 G N -2.106 106.740 108.800 0.077 0.000 2.699 5354 G HA2 0.413 4.373 3.960 -0.001 0.000 0.686 5354 G HA3 0.413 4.373 3.960 -0.001 0.000 0.686 5354 G C -0.982 173.941 174.900 0.038 0.000 1.301 5354 G CA -0.096 45.033 45.100 0.048 0.000 0.816 5354 G HN 2.063 nan 8.290 nan 0.000 0.595 5355 L N 0.537 121.776 121.223 0.026 0.000 2.289 5355 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 5355 L C 0.181 177.075 176.870 0.039 0.000 1.049 5355 L CA -1.027 53.825 54.840 0.021 0.000 0.804 5355 L CB 1.602 43.660 42.059 -0.002 0.000 1.195 5355 L HN 0.721 nan 8.230 nan 0.000 0.428 5356 N N 2.998 121.730 118.700 0.054 0.000 2.527 5356 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 5356 N C 0.767 176.316 175.510 0.064 0.000 0.999 5356 N CA -0.221 52.892 53.050 0.105 0.000 0.935 5356 N CB 1.054 39.615 38.487 0.124 0.000 1.132 5356 N HN 0.525 nan 8.380 nan 0.000 0.511 5357 V N 1.323 121.228 119.914 -0.014 0.000 2.970 5357 V HA 0.022 4.141 4.120 -0.001 0.000 0.260 5357 V C 1.346 177.341 176.094 -0.164 0.000 1.100 5357 V CA 1.122 63.342 62.300 -0.134 0.000 1.122 5357 V CB -1.155 30.517 31.823 -0.251 0.000 0.721 5357 V HN 0.398 nan 8.190 nan 0.000 0.483 5358 F N 2.703 122.651 119.950 -0.004 0.000 2.234 5358 F HA -0.021 4.506 4.527 -0.001 0.000 0.299 5358 F C 2.596 178.394 175.800 -0.003 0.000 1.087 5358 F CA 1.872 59.870 58.000 -0.003 0.000 1.340 5358 F CB -0.570 38.428 39.000 -0.002 0.000 1.031 5358 F HN 0.425 nan 8.300 nan 0.000 0.500 5359 T N -4.559 110.096 114.554 0.167 0.000 2.985 5359 T HA 0.415 4.764 4.350 -0.001 0.000 0.254 5359 T C 1.428 176.156 174.700 0.046 0.000 1.021 5359 T CA 0.370 62.523 62.100 0.089 0.000 0.957 5359 T CB 0.345 69.258 68.868 0.075 0.000 1.047 5359 T HN 0.344 nan 8.240 nan 0.000 0.511 5360 G N 1.170 109.990 108.800 0.032 0.000 2.291 5360 G HA2 0.289 4.248 3.960 -0.001 0.000 0.271 5360 G HA3 0.289 4.248 3.960 -0.001 0.000 0.271 5360 G C 0.025 174.931 174.900 0.010 0.000 1.099 5360 G CA -0.220 44.883 45.100 0.005 0.000 0.919 5360 G HN 1.402 nan 8.290 nan 0.000 0.496 5361 A N -1.347 121.485 122.820 0.019 0.000 2.604 5361 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 5361 A C 0.028 177.625 177.584 0.023 0.000 1.067 5361 A CA 0.096 52.144 52.037 0.018 0.000 0.683 5361 A CB 1.673 20.686 19.000 0.021 0.000 1.281 5361 A HN 1.783 nan 8.150 nan 0.000 0.407 5362 V N 1.866 121.791 119.914 0.019 0.000 2.599 5362 V HA 0.428 4.548 4.120 -0.001 0.000 0.300 5362 V C -0.224 175.887 176.094 0.027 0.000 1.034 5362 V CA 0.862 63.176 62.300 0.023 0.000 1.115 5362 V CB 0.538 32.373 31.823 0.021 0.000 0.934 5362 V HN 0.872 nan 8.190 nan 0.000 0.485 5363 E N 3.680 123.900 120.200 0.033 0.000 2.458 5363 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 5363 E C -1.425 175.194 176.600 0.031 0.000 1.004 5363 E CA -0.716 55.703 56.400 0.032 0.000 0.823 5363 E CB 1.473 31.197 29.700 0.039 0.000 1.396 5363 E HN 0.715 nan 8.360 nan 0.000 0.463 5364 D N 1.923 122.338 120.400 0.024 0.000 2.393 5364 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 5364 D C 0.928 177.242 176.300 0.023 0.000 1.192 5364 D CA -0.153 53.859 54.000 0.020 0.000 0.882 5364 D CB 0.543 41.349 40.800 0.010 0.000 1.038 5364 D HN 0.214 nan 8.370 nan 0.000 0.499 5365 M N 2.191 121.810 119.600 0.031 0.000 2.159 5365 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 5365 M C 2.346 178.660 176.300 0.023 0.000 1.063 5365 M CA 0.640 55.961 55.300 0.034 0.000 1.110 5365 M CB -1.181 31.444 32.600 0.042 0.000 1.374 5365 M HN 0.535 nan 8.290 nan 0.000 0.411 5366 C N 0.712 120.023 119.300 0.019 0.000 2.453 5366 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 5366 C C 2.688 177.682 174.990 0.005 0.000 1.262 5366 C CA 1.358 60.383 59.018 0.012 0.000 1.718 5366 C CB -0.915 26.832 27.740 0.010 0.000 2.031 5366 C HN 0.638 nan 8.230 nan 0.000 0.480 5367 E N 0.158 120.361 120.200 0.004 0.000 2.118 5367 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 5367 E C 1.391 177.989 176.600 -0.004 0.000 0.992 5367 E CA 1.351 57.751 56.400 -0.000 0.000 0.804 5367 E CB -0.209 29.492 29.700 0.000 0.000 0.741 5367 E HN 0.661 nan 8.360 nan 0.000 0.458 5368 N N -0.417 118.282 118.700 -0.002 0.000 2.461 5368 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 5368 N C 0.769 176.267 175.510 -0.020 0.000 1.134 5368 N CA 0.935 53.977 53.050 -0.013 0.000 0.878 5368 N CB 0.907 39.389 38.487 -0.007 0.000 0.972 5368 N HN 0.343 nan 8.380 nan 0.000 0.456 5369 G N 0.459 109.253 108.800 -0.010 0.000 2.147 5369 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 5369 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 5369 G C -0.001 174.896 174.900 -0.004 0.000 1.005 5369 G CA 0.049 45.143 45.100 -0.010 0.000 0.713 5369 G HN 0.197 nan 8.290 nan 0.000 0.515 5370 V N 1.478 121.397 119.914 0.007 0.000 2.222 5370 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 5370 V C 0.829 176.939 176.094 0.026 0.000 1.210 5370 V CA 0.158 62.472 62.300 0.024 0.000 1.079 5370 V CB 0.409 32.260 31.823 0.047 0.000 1.265 5370 V HN 1.047 nan 8.190 nan 0.000 0.494 5371 V N 1.925 121.851 119.914 0.020 0.000 3.130 5371 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 5371 V C -0.760 175.345 176.094 0.018 0.000 1.158 5371 V CA -0.909 61.402 62.300 0.019 0.000 1.029 5371 V CB 2.437 34.268 31.823 0.014 0.000 1.057 5371 V HN 0.777 nan 8.190 nan 0.000 0.436 5372 E N 0.955 121.165 120.200 0.017 0.000 2.390 5372 E HA 0.658 5.008 4.350 -0.001 0.000 0.277 5372 E C -3.278 173.330 176.600 0.013 0.000 0.939 5372 E CA -2.370 54.039 56.400 0.015 0.000 0.769 5372 E CB 2.338 32.047 29.700 0.015 0.000 1.251 5372 E HN 0.453 nan 8.360 nan 0.000 0.450 5373 P HA -0.046 nan 4.420 nan 0.000 0.266 5373 P C 0.519 177.826 177.300 0.013 0.000 1.195 5373 P CA -0.340 62.767 63.100 0.012 0.000 0.768 5373 P CB 0.507 32.213 31.700 0.010 0.000 0.838 5374 L N 4.470 125.702 121.223 0.014 0.000 2.012 5374 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 5374 L C 2.417 179.297 176.870 0.016 0.000 1.073 5374 L CA 1.865 56.715 54.840 0.016 0.000 0.748 5374 L CB -0.835 41.235 42.059 0.017 0.000 0.891 5374 L HN 0.311 nan 8.230 nan 0.000 0.431 5375 R N -0.968 119.541 120.500 0.014 0.000 2.133 5375 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 5375 R C 2.030 178.338 176.300 0.012 0.000 1.151 5375 R CA 2.132 58.240 56.100 0.013 0.000 0.971 5375 R CB -0.405 29.902 30.300 0.012 0.000 0.866 5375 R HN 0.395 nan 8.270 nan 0.000 0.447 5376 V N 1.044 120.964 119.914 0.011 0.000 2.295 5376 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 5376 V C 2.333 178.431 176.094 0.007 0.000 1.049 5376 V CA 2.084 64.389 62.300 0.008 0.000 1.024 5376 V CB -0.482 31.345 31.823 0.008 0.000 0.648 5376 V HN 0.283 nan 8.190 nan 0.000 0.447 5377 K N 0.790 121.195 120.400 0.009 0.000 2.103 5377 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 5377 K C 2.224 178.833 176.600 0.014 0.000 1.052 5377 K CA 1.932 58.224 56.287 0.008 0.000 0.945 5377 K CB -0.669 31.837 32.500 0.011 0.000 0.722 5377 K HN 0.678 nan 8.250 nan 0.000 0.443 5378 T N -2.124 112.441 114.554 0.019 0.000 2.942 5378 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 5378 T C 1.875 176.591 174.700 0.026 0.000 1.062 5378 T CA 0.819 62.935 62.100 0.027 0.000 1.139 5378 T CB -0.153 68.731 68.868 0.027 0.000 0.883 5378 T HN 0.104 nan 8.240 nan 0.000 0.468 5379 Q N 1.902 121.713 119.800 0.019 0.000 2.123 5379 Q HA 0.258 4.598 4.340 -0.001 0.000 0.199 5379 Q C 2.417 178.426 176.000 0.015 0.000 0.966 5379 Q CA 1.726 57.540 55.803 0.017 0.000 0.845 5379 Q CB -0.995 27.750 28.738 0.013 0.000 0.907 5379 Q HN 0.627 nan 8.270 nan 0.000 0.439 5380 A N 0.576 123.401 122.820 0.009 0.000 1.908 5380 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 5380 A C 1.946 179.532 177.584 0.003 0.000 1.181 5380 A CA 1.645 53.681 52.037 -0.001 0.000 0.627 5380 A CB -0.720 18.273 19.000 -0.012 0.000 0.818 5380 A HN 0.453 nan 8.150 nan 0.000 0.445 5381 I N -0.471 120.110 120.570 0.019 0.000 2.202 5381 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 5381 I C 2.645 178.806 176.117 0.072 0.000 1.091 5381 I CA 1.936 63.267 61.300 0.051 0.000 1.368 5381 I CB -1.434 36.615 38.000 0.082 0.000 1.058 5381 I HN 0.470 nan 8.210 nan 0.000 0.410 5382 Q N 1.263 121.096 119.800 0.055 0.000 2.030 5382 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 5382 Q C 2.412 178.441 176.000 0.048 0.000 0.986 5382 Q CA 2.595 58.429 55.803 0.052 0.000 0.843 5382 Q CB -0.301 28.460 28.738 0.037 0.000 0.904 5382 Q HN 0.345 nan 8.270 nan 0.000 0.420 5383 S N 0.010 115.730 115.700 0.034 0.000 2.368 5383 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 5383 S C 1.901 176.520 174.600 0.031 0.000 1.030 5383 S CA 0.969 59.186 58.200 0.028 0.000 0.999 5383 S CB -0.629 62.581 63.200 0.017 0.000 0.844 5383 S HN 0.595 nan 8.310 nan 0.000 0.459 5384 A N 1.570 124.405 122.820 0.025 0.000 1.877 5384 A HA 0.127 4.446 4.320 -0.001 0.000 0.216 5384 A C 2.353 179.969 177.584 0.053 0.000 1.186 5384 A CA 1.709 53.755 52.037 0.016 0.000 0.620 5384 A CB -1.109 17.876 19.000 -0.025 0.000 0.822 5384 A HN 0.508 nan 8.150 nan 0.000 0.443 5385 A N 0.739 123.617 122.820 0.097 0.000 1.898 5385 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 5385 A C 1.996 179.660 177.584 0.133 0.000 1.181 5385 A CA 1.741 53.879 52.037 0.168 0.000 0.620 5385 A CB -0.641 18.483 19.000 0.206 0.000 0.819 5385 A HN 0.786 nan 8.150 nan 0.000 0.442 5386 E N 0.285 120.540 120.200 0.091 0.000 2.208 5386 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 5386 E C 1.819 178.458 176.600 0.065 0.000 0.988 5386 E CA 1.396 57.839 56.400 0.072 0.000 0.828 5386 E CB -0.344 29.387 29.700 0.052 0.000 0.763 5386 E HN 0.634 nan 8.360 nan 0.000 0.478 5387 S N 0.287 116.023 115.700 0.061 0.000 2.446 5387 S HA -0.037 4.432 4.470 -0.001 0.000 0.225 5387 S C 2.005 176.642 174.600 0.063 0.000 1.016 5387 S CA 0.946 59.176 58.200 0.050 0.000 0.943 5387 S CB -0.276 62.945 63.200 0.035 0.000 0.786 5387 S HN 0.205 nan 8.310 nan 0.000 0.508 5388 T N 2.294 116.901 114.554 0.089 0.000 2.737 5388 T HA -0.044 4.306 4.350 -0.001 0.000 0.265 5388 T C 1.737 176.519 174.700 0.136 0.000 1.038 5388 T CA 1.571 63.748 62.100 0.128 0.000 1.144 5388 T CB -0.384 68.601 68.868 0.196 0.000 0.866 5388 T HN 0.660 nan 8.240 nan 0.000 0.434 5389 E N 0.717 120.999 120.200 0.137 0.000 2.110 5389 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 5389 E C 2.231 178.869 176.600 0.063 0.000 0.988 5389 E CA 0.851 57.310 56.400 0.099 0.000 0.804 5389 E CB -0.210 29.545 29.700 0.092 0.000 0.745 5389 E HN 0.451 nan 8.360 nan 0.000 0.458 5390 M N 0.684 120.320 119.600 0.059 0.000 2.073 5390 M HA -0.234 4.246 4.480 -0.001 0.000 0.258 5390 M C 2.358 178.683 176.300 0.040 0.000 1.070 5390 M CA 1.596 56.922 55.300 0.044 0.000 1.103 5390 M CB -0.200 32.425 32.600 0.041 0.000 1.321 5390 M HN 0.338 nan 8.290 nan 0.000 0.405 5391 L N 0.526 121.776 121.223 0.045 0.000 2.012 5391 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 5391 L C 2.248 179.136 176.870 0.031 0.000 1.073 5391 L CA 1.448 56.311 54.840 0.038 0.000 0.748 5391 L CB -0.322 41.759 42.059 0.038 0.000 0.891 5391 L HN 0.419 nan 8.230 nan 0.000 0.431 5392 L N -0.684 120.559 121.223 0.034 0.000 2.131 5392 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 5392 L C 2.684 179.560 176.870 0.011 0.000 1.092 5392 L CA 1.130 55.979 54.840 0.015 0.000 0.759 5392 L CB -0.468 41.599 42.059 0.013 0.000 0.903 5392 L HN 0.246 nan 8.230 nan 0.000 0.435 5393 R N -0.202 120.311 120.500 0.022 0.000 2.189 5393 R HA 0.061 4.400 4.340 -0.001 0.000 0.218 5393 R C 0.434 176.746 176.300 0.019 0.000 1.074 5393 R CA 0.527 56.639 56.100 0.021 0.000 0.991 5393 R CB -0.072 30.243 30.300 0.025 0.000 0.883 5393 R HN 0.278 nan 8.270 nan 0.000 0.457 5394 I N 0.834 121.416 120.570 0.020 0.000 2.331 5394 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 5394 I C 0.264 176.391 176.117 0.017 0.000 0.998 5394 I CA 0.023 61.336 61.300 0.021 0.000 1.267 5394 I CB 1.519 39.536 38.000 0.028 0.000 1.386 5394 I HN -0.118 nan 8.210 nan 0.000 0.476 5395 D N 3.377 123.787 120.400 0.016 0.000 2.539 5395 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 5395 D C -0.799 175.512 176.300 0.019 0.000 1.256 5395 D CA 0.238 54.245 54.000 0.011 0.000 0.810 5395 D CB 0.513 41.314 40.800 0.002 0.000 1.090 5395 D HN 0.432 nan 8.370 nan 0.000 0.519 5396 D N 0.036 120.450 120.400 0.023 0.000 2.861 5396 D HA 0.199 4.838 4.640 -0.001 0.000 0.216 5396 D C -1.363 174.951 176.300 0.024 0.000 1.323 5396 D CA -0.403 53.611 54.000 0.024 0.000 0.917 5396 D CB 1.900 42.711 40.800 0.018 0.000 1.582 5396 D HN -0.263 nan 8.370 nan 0.000 0.576 5397 V N 5.178 125.108 119.914 0.028 0.000 2.347 5397 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 5397 V C 0.409 176.509 176.094 0.010 0.000 1.021 5397 V CA -0.551 61.761 62.300 0.021 0.000 0.847 5397 V CB 1.275 33.115 31.823 0.028 0.000 0.990 5397 V HN 0.477 nan 8.190 nan 0.000 0.444 5398 I N 4.913 125.485 120.570 0.003 0.000 2.371 5398 I HA 0.646 4.816 4.170 -0.001 0.000 0.282 5398 I C 0.395 176.507 176.117 -0.009 0.000 1.031 5398 I CA -0.210 61.089 61.300 -0.001 0.000 1.180 5398 I CB 1.294 39.295 38.000 0.001 0.000 1.336 5398 I HN 0.657 nan 8.210 nan 0.000 0.467 5399 A N 4.867 127.678 122.820 -0.015 0.000 2.337 5399 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 5399 A C 0.105 177.679 177.584 -0.017 0.000 1.146 5399 A CA -0.500 51.523 52.037 -0.023 0.000 0.800 5399 A CB 1.206 20.183 19.000 -0.039 0.000 1.220 5399 A HN 0.718 nan 8.150 nan 0.000 0.472 5400 A N 1.764 124.574 122.820 -0.016 0.000 2.313 5400 A HA 0.548 4.867 4.320 -0.001 0.000 0.261 5400 A C 0.413 177.989 177.584 -0.014 0.000 1.090 5400 A CA -0.270 51.759 52.037 -0.013 0.000 0.807 5400 A CB -0.175 18.819 19.000 -0.010 0.000 1.055 5400 A HN 0.893 nan 8.150 nan 0.000 0.492 5401 E N 0.000 120.193 120.200 -0.011 0.000 2.725 5401 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 5401 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 5401 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 5401 E HN 0.000 nan 8.360 nan 0.000 0.440