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 3izn_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 KATGANVITN DATA SEQUENCE IKDLSAQDLG 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 0.000 176.086 176.094 -0.014 0.000 1.182 4911 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 4911 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 4912 L N 2.893 124.106 121.223 -0.017 0.000 2.307 4912 L HA 0.564 4.904 4.340 0.000 0.000 0.282 4912 L C -2.217 174.641 176.870 -0.020 0.000 1.051 4912 L CA -1.513 53.315 54.840 -0.020 0.000 0.804 4912 L CB 0.747 42.791 42.059 -0.025 0.000 1.197 4912 L HN 0.164 nan 8.230 nan 0.000 0.431 4913 P HA 0.101 nan 4.420 nan 0.000 0.268 4913 P C -0.738 176.549 177.300 -0.021 0.000 1.204 4913 P CA -0.234 62.856 63.100 -0.017 0.000 0.768 4913 P CB 0.445 32.136 31.700 -0.015 0.000 0.842 4914 E N 2.207 122.396 120.200 -0.019 0.000 2.360 4914 E HA 0.049 4.399 4.350 0.000 0.000 0.269 4914 E C 0.564 177.154 176.600 -0.018 0.000 1.022 4914 E CA 0.124 56.512 56.400 -0.021 0.000 0.887 4914 E CB 0.291 29.980 29.700 -0.018 0.000 0.990 4914 E HN 0.514 nan 8.360 nan 0.000 0.426 4915 N N 1.050 119.739 118.700 -0.019 0.000 2.993 4915 N HA -0.147 4.593 4.740 0.000 0.000 0.171 4915 N C -0.738 174.766 175.510 -0.010 0.000 1.446 4915 N CA 0.703 53.746 53.050 -0.011 0.000 1.542 4915 N CB -0.482 38.001 38.487 -0.007 0.000 1.042 4915 N HN 0.321 nan 8.380 nan 0.000 0.638 4916 M N 1.524 121.115 119.600 -0.016 0.000 2.250 4916 M HA 0.298 4.778 4.480 0.000 0.000 0.344 4916 M C -0.001 176.280 176.300 -0.032 0.000 1.150 4916 M CA 0.335 55.626 55.300 -0.015 0.000 1.147 4916 M CB 0.904 33.493 32.600 -0.018 0.000 1.498 4916 M HN 0.045 nan 8.290 nan 0.000 0.461 4917 K N 1.893 122.283 120.400 -0.018 0.000 2.244 4917 K HA 0.584 4.904 4.320 0.000 0.000 0.260 4917 K C -0.498 176.052 176.600 -0.083 0.000 0.951 4917 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 4917 K CB 2.405 34.932 32.500 0.044 0.000 1.108 4917 K HN 0.529 nan 8.250 nan 0.000 0.433 4918 R N 3.123 123.472 120.500 -0.251 0.000 2.538 4918 R HA 0.320 4.660 4.340 0.000 0.000 0.292 4918 R C -1.605 174.493 176.300 -0.336 0.000 1.008 4918 R CA -0.511 55.491 56.100 -0.164 0.000 0.896 4918 R CB 0.882 31.130 30.300 -0.087 0.000 1.187 4918 R HN 0.549 nan 8.270 nan 0.000 0.440 4919 Y N 3.286 123.590 120.300 0.006 0.000 2.562 4919 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 4919 Y C 0.232 176.133 175.900 0.001 0.000 1.025 4919 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 4919 Y CB 2.436 40.901 38.460 0.008 0.000 1.264 4919 Y HN 0.307 nan 8.280 nan 0.000 0.478 4920 M N 0.542 120.233 119.600 0.152 0.000 2.593 4920 M HA 0.584 5.064 4.480 0.000 0.000 0.290 4920 M C 0.457 176.793 176.300 0.059 0.000 1.244 4920 M CA -0.334 55.011 55.300 0.076 0.000 0.857 4920 M CB 2.471 35.095 32.600 0.039 0.000 1.738 4920 M HN 0.889 nan 8.290 nan 0.000 0.461 4921 G N 2.017 110.833 108.800 0.026 0.000 2.556 4921 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 4921 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 4921 G C 0.505 175.400 174.900 -0.010 0.000 1.177 4921 G CA 0.793 45.892 45.100 -0.001 0.000 0.978 4921 G HN 0.988 nan 8.290 nan 0.000 0.554 4922 R N 0.511 121.002 120.500 -0.014 0.000 2.237 4922 R HA 0.064 4.404 4.340 0.000 0.000 0.219 4922 R C 1.553 177.841 176.300 -0.021 0.000 1.080 4922 R CA 2.066 58.151 56.100 -0.025 0.000 0.995 4922 R CB -0.269 30.017 30.300 -0.024 0.000 0.875 4922 R HN 0.495 nan 8.270 nan 0.000 0.462 4923 D N 1.436 121.844 120.400 0.013 0.000 2.183 4923 D HA 0.007 4.647 4.640 0.000 0.000 0.205 4923 D C 1.960 178.248 176.300 -0.020 0.000 0.962 4923 D CA 1.350 55.358 54.000 0.013 0.000 0.849 4923 D CB -0.013 40.884 40.800 0.160 0.000 0.978 4923 D HN 0.391 nan 8.370 nan 0.000 0.488 4924 A N 1.160 124.020 122.820 0.067 0.000 1.902 4924 A HA -0.183 4.137 4.320 0.000 0.000 0.217 4924 A C 2.141 179.723 177.584 -0.003 0.000 1.181 4924 A CA 1.203 53.284 52.037 0.073 0.000 0.623 4924 A CB -0.286 18.762 19.000 0.080 0.000 0.818 4924 A HN 0.052 nan 8.150 nan 0.000 0.443 4925 Q N -0.724 119.060 119.800 -0.027 0.000 2.123 4925 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 4925 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 4925 Q CA 1.450 57.224 55.803 -0.050 0.000 0.845 4925 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 4925 Q HN 0.769 nan 8.270 nan 0.000 0.439 4926 R N -0.098 120.346 120.500 -0.094 0.000 2.070 4926 R HA -0.081 4.259 4.340 0.000 0.000 0.233 4926 R C 2.167 178.372 176.300 -0.158 0.000 1.137 4926 R CA 1.303 57.333 56.100 -0.117 0.000 0.945 4926 R CB 0.029 30.261 30.300 -0.115 0.000 0.845 4926 R HN 0.132 nan 8.270 nan 0.000 0.430 4927 M N 0.820 120.289 119.600 -0.217 0.000 2.132 4927 M HA -0.105 4.375 4.480 0.000 0.000 0.263 4927 M C 1.732 177.907 176.300 -0.208 0.000 1.065 4927 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 4927 M CB -1.135 31.209 32.600 -0.426 0.000 1.365 4927 M HN 0.165 nan 8.290 nan 0.000 0.411 4928 N N 0.658 119.279 118.700 -0.133 0.000 2.216 4928 N HA 0.002 4.742 4.740 0.000 0.000 0.183 4928 N C 1.850 177.221 175.510 -0.232 0.000 1.017 4928 N CA 1.101 54.065 53.050 -0.143 0.000 0.861 4928 N CB -0.258 38.273 38.487 0.073 0.000 0.986 4928 N HN 0.364 nan 8.380 nan 0.000 0.428 4929 I N 0.314 120.796 120.570 -0.148 0.000 2.252 4929 I HA -0.200 3.970 4.170 0.000 0.000 0.245 4929 I C 1.658 177.686 176.117 -0.148 0.000 1.102 4929 I CA 0.547 61.771 61.300 -0.126 0.000 1.385 4929 I CB -0.091 37.852 38.000 -0.096 0.000 1.064 4929 I HN 0.019 nan 8.210 nan 0.000 0.414 4930 L N 0.855 121.981 121.223 -0.162 0.000 2.127 4930 L HA -0.193 4.147 4.340 0.000 0.000 0.211 4930 L C 2.679 179.449 176.870 -0.166 0.000 1.089 4930 L CA 1.979 56.733 54.840 -0.144 0.000 0.757 4930 L CB -1.247 40.729 42.059 -0.137 0.000 0.899 4930 L HN 0.211 nan 8.230 nan 0.000 0.434 4931 A N -0.665 121.994 122.820 -0.268 0.000 1.908 4931 A HA -0.140 4.180 4.320 0.000 0.000 0.218 4931 A C 2.435 179.918 177.584 -0.168 0.000 1.181 4931 A CA 1.791 53.654 52.037 -0.290 0.000 0.627 4931 A CB -1.290 17.301 19.000 -0.682 0.000 0.818 4931 A HN 0.441 nan 8.150 nan 0.000 0.445 4932 G N -0.942 107.766 108.800 -0.154 0.000 2.402 4932 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 4932 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 4932 G C 1.727 176.588 174.900 -0.064 0.000 1.162 4932 G CA 0.861 45.913 45.100 -0.081 0.000 0.777 4932 G HN 0.451 nan 8.290 nan 0.000 0.539 4933 R N 0.503 120.959 120.500 -0.074 0.000 2.105 4933 R HA -0.025 4.315 4.340 0.000 0.000 0.239 4933 R C 2.511 178.780 176.300 -0.052 0.000 1.135 4933 R CA 1.121 57.187 56.100 -0.058 0.000 0.967 4933 R CB -0.476 29.788 30.300 -0.060 0.000 0.861 4933 R HN 0.456 nan 8.270 nan 0.000 0.442 4934 I N 0.814 121.348 120.570 -0.059 0.000 2.226 4934 I HA -0.307 3.863 4.170 0.000 0.000 0.245 4934 I C 2.214 178.311 176.117 -0.035 0.000 1.100 4934 I CA 0.845 62.117 61.300 -0.047 0.000 1.374 4934 I CB -0.229 37.741 38.000 -0.050 0.000 1.057 4934 I HN 0.114 nan 8.210 nan 0.000 0.413 4935 I N 1.027 121.577 120.570 -0.034 0.000 2.226 4935 I HA -0.254 3.916 4.170 0.000 0.000 0.245 4935 I C 2.850 178.954 176.117 -0.022 0.000 1.100 4935 I CA 1.691 62.978 61.300 -0.023 0.000 1.374 4935 I CB -1.558 36.431 38.000 -0.018 0.000 1.057 4935 I HN 0.183 nan 8.210 nan 0.000 0.413 4936 A N 0.450 123.254 122.820 -0.027 0.000 1.902 4936 A HA -0.197 4.123 4.320 0.000 0.000 0.217 4936 A C 2.231 179.799 177.584 -0.027 0.000 1.181 4936 A CA 1.442 53.463 52.037 -0.027 0.000 0.623 4936 A CB -0.608 18.373 19.000 -0.031 0.000 0.818 4936 A HN 0.470 nan 8.150 nan 0.000 0.443 4937 E N -0.896 119.287 120.200 -0.028 0.000 2.204 4937 E HA -0.106 4.244 4.350 0.000 0.000 0.194 4937 E C 1.946 178.532 176.600 -0.023 0.000 0.989 4937 E CA 1.397 57.781 56.400 -0.027 0.000 0.824 4937 E CB -0.185 29.498 29.700 -0.028 0.000 0.756 4937 E HN 0.629 nan 8.360 nan 0.000 0.477 4938 T N 0.692 115.234 114.554 -0.021 0.000 2.698 4938 T HA -0.113 4.237 4.350 0.000 0.000 0.260 4938 T C 2.174 176.864 174.700 -0.016 0.000 1.044 4938 T CA 1.544 63.634 62.100 -0.017 0.000 1.149 4938 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 4938 T HN 0.190 nan 8.240 nan 0.000 0.419 4939 V N 2.134 122.038 119.914 -0.016 0.000 3.129 4939 V HA 0.031 4.151 4.120 0.000 0.000 0.259 4939 V C 2.320 178.403 176.094 -0.019 0.000 1.116 4939 V CA 1.079 63.370 62.300 -0.015 0.000 1.127 4939 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 4939 V HN 0.478 nan 8.190 nan 0.000 0.474 4940 R N 2.773 123.260 120.500 -0.022 0.000 2.249 4940 R HA -0.134 4.206 4.340 0.000 0.000 0.230 4940 R C 2.015 178.299 176.300 -0.027 0.000 1.121 4940 R CA 1.779 57.864 56.100 -0.026 0.000 0.997 4940 R CB -1.209 29.074 30.300 -0.029 0.000 0.867 4940 R HN 0.706 nan 8.270 nan 0.000 0.465 4941 S N 0.293 115.979 115.700 -0.024 0.000 2.515 4941 S HA -0.083 4.387 4.470 0.000 0.000 0.231 4941 S C 1.733 176.318 174.600 -0.025 0.000 0.987 4941 S CA 0.864 59.049 58.200 -0.024 0.000 0.936 4941 S CB -0.056 63.132 63.200 -0.020 0.000 0.766 4941 S HN 0.588 nan 8.310 nan 0.000 0.528 4942 T N -0.684 113.856 114.554 -0.023 0.000 3.044 4942 T HA 0.390 4.740 4.350 0.000 0.000 0.250 4942 T C 0.513 175.197 174.700 -0.027 0.000 1.081 4942 T CA -0.475 61.612 62.100 -0.021 0.000 1.040 4942 T CB -0.501 68.359 68.868 -0.014 0.000 0.962 4942 T HN 0.301 nan 8.240 nan 0.000 0.506 4943 L N 2.220 123.423 121.223 -0.032 0.000 2.456 4943 L HA 0.504 4.844 4.340 0.000 0.000 0.272 4943 L C 1.194 178.034 176.870 -0.051 0.000 1.189 4943 L CA 0.941 55.759 54.840 -0.036 0.000 0.846 4943 L CB -0.156 41.881 42.059 -0.037 0.000 1.111 4943 L HN 0.670 nan 8.230 nan 0.000 0.475 4944 G N 3.183 111.953 108.800 -0.050 0.000 2.663 4944 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 4944 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 4944 G C -2.404 172.439 174.900 -0.095 0.000 1.246 4944 G CA -0.729 44.326 45.100 -0.076 0.000 0.795 4944 G HN 0.471 nan 8.290 nan 0.000 0.627 4945 P HA -0.009 nan 4.420 nan 0.000 0.218 4945 P C 1.256 178.367 177.300 -0.315 0.000 1.148 4945 P CA 1.294 64.287 63.100 -0.178 0.000 0.822 4945 P CB 0.159 31.708 31.700 -0.252 0.000 0.784 4946 K N -0.328 119.846 120.400 -0.378 0.000 2.576 4946 K HA 0.293 4.613 4.320 0.000 0.000 0.209 4946 K C 0.957 177.470 176.600 -0.145 0.000 1.049 4946 K CA -0.126 55.993 56.287 -0.281 0.000 1.140 4946 K CB -0.025 32.275 32.500 -0.335 0.000 0.871 4946 K HN 0.057 nan 8.250 nan 0.000 0.479 4947 G N 0.845 109.580 108.800 -0.109 0.000 2.634 4947 G HA2 0.238 4.198 3.960 0.000 0.000 0.255 4947 G HA3 0.238 4.198 3.960 0.000 0.000 0.255 4947 G C 0.281 175.154 174.900 -0.046 0.000 1.205 4947 G CA -0.393 44.667 45.100 -0.067 0.000 0.884 4947 G HN -0.027 nan 8.290 nan 0.000 0.549 4948 M N -0.152 119.427 119.600 -0.034 0.000 2.679 4948 M HA 0.441 4.921 4.480 0.000 0.000 0.287 4948 M C -0.589 175.704 176.300 -0.013 0.000 1.202 4948 M CA -0.640 54.647 55.300 -0.022 0.000 0.911 4948 M CB 1.271 33.858 32.600 -0.021 0.000 1.556 4948 M HN 0.344 nan 8.290 nan 0.000 0.511 4949 D N 0.138 120.534 120.400 -0.007 0.000 2.449 4949 D HA 0.600 5.240 4.640 0.000 0.000 0.250 4949 D C -0.699 175.602 176.300 0.001 0.000 1.050 4949 D CA -0.418 53.582 54.000 0.000 0.000 1.024 4949 D CB 1.495 42.300 40.800 0.007 0.000 1.218 4949 D HN 0.263 nan 8.370 nan 0.000 0.566 4950 K N 0.134 120.537 120.400 0.006 0.000 2.385 4950 K HA 0.546 4.866 4.320 0.000 0.000 0.248 4950 K C -0.799 175.811 176.600 0.016 0.000 0.955 4950 K CA -0.814 55.477 56.287 0.007 0.000 0.816 4950 K CB 2.825 35.328 32.500 0.005 0.000 1.250 4950 K HN 0.276 nan 8.250 nan 0.000 0.434 4951 M N 3.500 123.109 119.600 0.015 0.000 2.078 4951 M HA 0.314 4.794 4.480 0.000 0.000 0.320 4951 M C -1.871 174.443 176.300 0.024 0.000 0.969 4951 M CA -0.960 54.355 55.300 0.025 0.000 0.929 4951 M CB 0.579 33.188 32.600 0.014 0.000 1.504 4951 M HN 0.396 nan 8.290 nan 0.000 0.419 4952 L N 5.473 126.715 121.223 0.032 0.000 2.322 4952 L HA 0.625 4.965 4.340 0.000 0.000 0.281 4952 L C -0.880 176.009 176.870 0.032 0.000 1.014 4952 L CA -0.450 54.405 54.840 0.025 0.000 0.815 4952 L CB 2.163 44.234 42.059 0.019 0.000 1.247 4952 L HN 0.434 nan 8.230 nan 0.000 0.421 4953 V N 2.795 122.725 119.914 0.026 0.000 2.378 4953 V HA 0.358 4.478 4.120 0.000 0.000 0.288 4953 V C -0.312 175.793 176.094 0.019 0.000 1.016 4953 V CA -0.975 61.342 62.300 0.028 0.000 0.840 4953 V CB 1.448 33.287 31.823 0.026 0.000 0.994 4953 V HN 0.841 nan 8.190 nan 0.000 0.431 4954 D N 3.488 123.898 120.400 0.017 0.000 2.398 4954 D HA 0.002 4.642 4.640 0.000 0.000 0.264 4954 D C 1.032 177.338 176.300 0.010 0.000 1.263 4954 D CA -0.216 53.790 54.000 0.011 0.000 1.037 4954 D CB 0.470 41.274 40.800 0.007 0.000 1.101 4954 D HN 0.570 nan 8.370 nan 0.000 0.551 4955 D N -0.852 119.552 120.400 0.007 0.000 2.348 4955 D HA -0.122 4.518 4.640 0.000 0.000 0.216 4955 D C 1.662 177.966 176.300 0.006 0.000 0.970 4955 D CA 0.501 54.505 54.000 0.006 0.000 0.889 4955 D CB -0.155 40.648 40.800 0.005 0.000 0.912 4955 D HN 0.381 nan 8.370 nan 0.000 0.524 4956 L N -0.847 120.380 121.223 0.007 0.000 2.554 4956 L HA 0.306 4.646 4.340 0.000 0.000 0.225 4956 L C 1.850 178.726 176.870 0.010 0.000 1.104 4956 L CA 0.543 55.386 54.840 0.006 0.000 0.866 4956 L CB 0.256 42.317 42.059 0.004 0.000 1.047 4956 L HN 0.298 nan 8.230 nan 0.000 0.468 4957 G N -0.370 108.438 108.800 0.013 0.000 2.218 4957 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 4957 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 4957 G C 0.117 175.034 174.900 0.029 0.000 0.994 4957 G CA -0.021 45.091 45.100 0.020 0.000 0.637 4957 G HN 0.313 nan 8.290 nan 0.000 0.505 4958 D N 1.032 121.446 120.400 0.022 0.000 2.455 4958 D HA 0.394 5.034 4.640 0.000 0.000 0.241 4958 D C 0.484 176.811 176.300 0.045 0.000 1.138 4958 D CA 0.270 54.285 54.000 0.024 0.000 0.877 4958 D CB 1.237 42.035 40.800 -0.003 0.000 1.187 4958 D HN 0.273 nan 8.370 nan 0.000 0.451 4959 V N 4.368 124.339 119.914 0.095 0.000 2.398 4959 V HA 0.351 4.471 4.120 0.000 0.000 0.286 4959 V C 0.138 176.325 176.094 0.155 0.000 1.026 4959 V CA -0.807 61.592 62.300 0.165 0.000 0.868 4959 V CB 1.705 33.690 31.823 0.270 0.000 0.982 4959 V HN 0.346 nan 8.190 nan 0.000 0.443 4960 V N 5.482 125.462 119.914 0.109 0.000 2.495 4960 V HA 0.465 4.585 4.120 0.000 0.000 0.298 4960 V C -0.251 175.906 176.094 0.105 0.000 1.031 4960 V CA -0.646 61.696 62.300 0.070 0.000 0.871 4960 V CB 2.145 33.981 31.823 0.022 0.000 0.988 4960 V HN 0.598 nan 8.190 nan 0.000 0.432 4961 V N 4.194 124.180 119.914 0.120 0.000 2.347 4961 V HA 0.689 4.809 4.120 0.000 0.000 0.280 4961 V C 0.140 176.265 176.094 0.051 0.000 1.021 4961 V CA 0.058 62.413 62.300 0.091 0.000 0.847 4961 V CB 1.380 33.272 31.823 0.115 0.000 0.990 4961 V HN 1.004 nan 8.190 nan 0.000 0.444 4962 T N 2.926 117.500 114.554 0.034 0.000 2.821 4962 T HA 0.327 4.677 4.350 0.000 0.000 0.306 4962 T C 0.233 174.942 174.700 0.015 0.000 1.313 4962 T CA -0.416 61.697 62.100 0.022 0.000 1.012 4962 T CB 1.992 70.869 68.868 0.016 0.000 1.298 4962 T HN 0.634 nan 8.240 nan 0.000 0.502 4963 N N 1.042 119.749 118.700 0.011 0.000 2.210 4963 N HA 0.093 4.833 4.740 0.000 0.000 0.203 4963 N C -0.788 174.724 175.510 0.004 0.000 1.175 4963 N CA -0.020 53.033 53.050 0.006 0.000 0.894 4963 N CB 0.493 38.983 38.487 0.006 0.000 1.041 4963 N HN 0.571 nan 8.380 nan 0.000 0.506 4964 D N 0.287 120.690 120.400 0.006 0.000 2.412 4964 D HA 0.147 4.787 4.640 0.000 0.000 0.257 4964 D C 1.386 177.688 176.300 0.003 0.000 1.217 4964 D CA 0.266 54.269 54.000 0.004 0.000 0.897 4964 D CB 1.078 41.881 40.800 0.005 0.000 1.132 4964 D HN 0.305 nan 8.370 nan 0.000 0.493 4965 G N 1.818 110.618 108.800 0.001 0.000 2.421 4965 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 4965 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 4965 G C 1.585 176.485 174.900 0.001 0.000 1.171 4965 G CA 0.363 45.462 45.100 -0.001 0.000 0.775 4965 G HN 0.471 nan 8.290 nan 0.000 0.543 4966 V N 0.852 120.767 119.914 0.002 0.000 2.490 4966 V HA -0.151 3.969 4.120 0.000 0.000 0.250 4966 V C 2.952 179.048 176.094 0.003 0.000 1.061 4966 V CA 2.901 65.203 62.300 0.003 0.000 1.064 4966 V CB -0.625 31.200 31.823 0.004 0.000 0.670 4966 V HN 0.414 nan 8.190 nan 0.000 0.461 4967 T N 0.817 115.373 114.554 0.003 0.000 2.812 4967 T HA -0.052 4.298 4.350 0.000 0.000 0.264 4967 T C 1.848 176.551 174.700 0.004 0.000 1.042 4967 T CA 1.617 63.719 62.100 0.003 0.000 1.140 4967 T CB -0.184 68.686 68.868 0.004 0.000 0.870 4967 T HN 0.330 nan 8.240 nan 0.000 0.445 4968 I N 0.971 121.544 120.570 0.004 0.000 2.179 4968 I HA -0.068 4.102 4.170 0.000 0.000 0.242 4968 I C 2.175 178.294 176.117 0.004 0.000 1.088 4968 I CA 1.220 62.522 61.300 0.004 0.000 1.357 4968 I CB -1.195 36.806 38.000 0.002 0.000 1.051 4968 I HN 0.214 nan 8.210 nan 0.000 0.409 4969 L N 0.172 121.398 121.223 0.004 0.000 2.179 4969 L HA -0.042 4.298 4.340 0.000 0.000 0.208 4969 L C 2.607 179.480 176.870 0.006 0.000 1.096 4969 L CA 1.337 56.180 54.840 0.005 0.000 0.779 4969 L CB -0.964 41.098 42.059 0.004 0.000 0.922 4969 L HN 0.179 nan 8.230 nan 0.000 0.443 4970 R N -0.132 120.371 120.500 0.005 0.000 2.066 4970 R HA -0.118 4.222 4.340 0.000 0.000 0.232 4970 R C 1.935 178.238 176.300 0.005 0.000 1.131 4970 R CA 1.341 57.444 56.100 0.005 0.000 0.955 4970 R CB 0.032 30.335 30.300 0.004 0.000 0.851 4970 R HN 0.355 nan 8.270 nan 0.000 0.432 4971 E N 0.925 121.128 120.200 0.005 0.000 2.076 4971 E HA -0.063 4.287 4.350 0.000 0.000 0.190 4971 E C 1.257 177.862 176.600 0.007 0.000 0.979 4971 E CA 0.513 56.916 56.400 0.006 0.000 0.807 4971 E CB -0.256 29.447 29.700 0.006 0.000 0.761 4971 E HN 0.435 nan 8.360 nan 0.000 0.454 4972 M N -0.094 119.510 119.600 0.007 0.000 2.219 4972 M HA 0.068 4.548 4.480 0.000 0.000 0.307 4972 M C 0.458 176.764 176.300 0.009 0.000 1.116 4972 M CA 0.507 55.811 55.300 0.008 0.000 1.181 4972 M CB 0.545 33.149 32.600 0.007 0.000 1.410 4972 M HN -0.267 nan 8.290 nan 0.000 0.454 4973 S N 2.252 117.958 115.700 0.010 0.000 2.512 4973 S HA 0.467 4.937 4.470 0.000 0.000 0.291 4973 S C -0.757 173.852 174.600 0.015 0.000 1.151 4973 S CA -0.808 57.399 58.200 0.011 0.000 1.120 4973 S CB -0.137 63.069 63.200 0.010 0.000 1.029 4973 S HN 0.531 nan 8.310 nan 0.000 0.485 4974 V N 5.099 125.024 119.914 0.018 0.000 2.607 4974 V HA 0.376 4.496 4.120 0.000 0.000 0.289 4974 V C 0.857 176.971 176.094 0.033 0.000 1.053 4974 V CA -0.310 62.007 62.300 0.028 0.000 0.996 4974 V CB 1.567 33.408 31.823 0.030 0.000 0.995 4974 V HN 0.751 nan 8.190 nan 0.000 0.476 4975 E N 0.943 121.172 120.200 0.049 0.000 2.228 4975 E HA 0.077 4.427 4.350 0.000 0.000 0.197 4975 E C 0.715 177.348 176.600 0.055 0.000 0.909 4975 E CA 0.159 56.586 56.400 0.044 0.000 0.911 4975 E CB -0.048 29.678 29.700 0.043 0.000 0.887 4975 E HN 0.701 nan 8.360 nan 0.000 0.481 4976 H N 2.435 121.505 119.070 0.001 0.000 2.764 4976 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 4976 H C -1.749 173.578 175.328 -0.001 0.000 1.072 4976 H CA -1.486 54.562 56.048 0.001 0.000 1.444 4976 H CB 1.604 31.363 29.762 -0.004 0.000 1.458 4976 H HN -0.209 nan 8.280 nan 0.000 0.572 4977 P HA -0.136 nan 4.420 nan 0.000 0.215 4977 P C 1.043 178.446 177.300 0.172 0.000 1.153 4977 P CA 2.170 65.284 63.100 0.024 0.000 0.853 4977 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 4978 A N -0.124 122.956 122.820 0.433 0.000 1.898 4978 A HA -0.042 4.278 4.320 0.000 0.000 0.216 4978 A C 2.311 179.950 177.584 0.092 0.000 1.181 4978 A CA 1.881 54.043 52.037 0.209 0.000 0.620 4978 A CB -1.552 17.517 19.000 0.114 0.000 0.819 4978 A HN 0.185 nan 8.150 nan 0.000 0.442 4979 A N -0.158 122.722 122.820 0.099 0.000 1.972 4979 A HA -0.129 4.192 4.320 0.000 0.000 0.219 4979 A C 2.053 179.665 177.584 0.046 0.000 1.169 4979 A CA 1.698 53.756 52.037 0.036 0.000 0.635 4979 A CB -0.374 18.642 19.000 0.027 0.000 0.810 4979 A HN 0.540 nan 8.150 nan 0.000 0.446 4980 K N -0.914 119.528 120.400 0.070 0.000 2.211 4980 K HA -0.029 4.291 4.320 0.000 0.000 0.203 4980 K C 1.789 178.410 176.600 0.034 0.000 1.050 4980 K CA 1.105 57.418 56.287 0.044 0.000 0.945 4980 K CB -0.180 32.343 32.500 0.040 0.000 0.732 4980 K HN 0.354 nan 8.250 nan 0.000 0.451 4981 M N 0.233 119.856 119.600 0.039 0.000 2.229 4981 M HA -0.092 4.388 4.480 0.000 0.000 0.264 4981 M C 1.860 178.172 176.300 0.021 0.000 1.063 4981 M CA 1.221 56.538 55.300 0.029 0.000 1.114 4981 M CB -0.655 31.964 32.600 0.031 0.000 1.387 4981 M HN 0.073 nan 8.290 nan 0.000 0.420 4982 L N -0.019 121.214 121.223 0.017 0.000 2.201 4982 L HA -0.061 4.279 4.340 0.000 0.000 0.212 4982 L C 2.254 179.130 176.870 0.010 0.000 1.105 4982 L CA 1.194 56.040 54.840 0.010 0.000 0.775 4982 L CB -0.809 41.251 42.059 0.002 0.000 0.913 4982 L HN 0.214 nan 8.230 nan 0.000 0.440 4983 I N -0.940 119.637 120.570 0.012 0.000 2.226 4983 I HA -0.270 3.900 4.170 0.000 0.000 0.245 4983 I C 2.458 178.581 176.117 0.011 0.000 1.100 4983 I CA 0.999 62.306 61.300 0.011 0.000 1.374 4983 I CB -0.145 37.863 38.000 0.013 0.000 1.057 4983 I HN 0.230 nan 8.210 nan 0.000 0.413 4984 E N 0.867 121.075 120.200 0.014 0.000 2.110 4984 E HA -0.156 4.194 4.350 0.000 0.000 0.193 4984 E C 2.130 178.738 176.600 0.014 0.000 0.988 4984 E CA 1.128 57.536 56.400 0.013 0.000 0.804 4984 E CB -0.088 29.621 29.700 0.015 0.000 0.745 4984 E HN 0.241 nan 8.360 nan 0.000 0.458 4985 V N 0.599 120.522 119.914 0.015 0.000 2.343 4985 V HA -0.268 3.852 4.120 0.000 0.000 0.247 4985 V C 2.320 178.421 176.094 0.012 0.000 1.051 4985 V CA 1.844 64.154 62.300 0.015 0.000 1.036 4985 V CB -0.901 30.931 31.823 0.015 0.000 0.654 4985 V HN 0.443 nan 8.190 nan 0.000 0.451 4986 A N -0.504 122.321 122.820 0.009 0.000 1.930 4986 A HA -0.206 4.114 4.320 0.000 0.000 0.217 4986 A C 2.298 179.887 177.584 0.007 0.000 1.175 4986 A CA 1.761 53.803 52.037 0.007 0.000 0.627 4986 A CB -0.377 18.625 19.000 0.005 0.000 0.815 4986 A HN 0.538 nan 8.150 nan 0.000 0.443 4987 K N -0.576 119.828 120.400 0.008 0.000 2.097 4987 K HA -0.100 4.220 4.320 0.000 0.000 0.205 4987 K C 2.228 178.833 176.600 0.008 0.000 1.050 4987 K CA 1.718 58.009 56.287 0.007 0.000 0.938 4987 K CB -0.309 32.195 32.500 0.008 0.000 0.718 4987 K HN 0.732 nan 8.250 nan 0.000 0.442 4988 T N -1.206 113.354 114.554 0.010 0.000 2.904 4988 T HA -0.140 4.210 4.350 0.000 0.000 0.267 4988 T C 2.000 176.706 174.700 0.011 0.000 1.059 4988 T CA 0.842 62.948 62.100 0.011 0.000 1.137 4988 T CB 0.005 68.882 68.868 0.014 0.000 0.879 4988 T HN 0.012 nan 8.240 nan 0.000 0.467 4989 Q N 1.339 121.145 119.800 0.011 0.000 2.083 4989 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 4989 Q C 2.394 178.399 176.000 0.008 0.000 0.969 4989 Q CA 1.569 57.378 55.803 0.010 0.000 0.838 4989 Q CB -0.415 28.329 28.738 0.009 0.000 0.900 4989 Q HN 0.624 nan 8.270 nan 0.000 0.436 4990 E N 0.544 120.748 120.200 0.007 0.000 2.051 4990 E HA -0.237 4.113 4.350 0.000 0.000 0.192 4990 E C 1.815 178.418 176.600 0.005 0.000 0.991 4990 E CA 1.480 57.883 56.400 0.005 0.000 0.799 4990 E CB -0.137 29.566 29.700 0.004 0.000 0.748 4990 E HN 0.368 nan 8.360 nan 0.000 0.449 4991 K N 0.166 120.569 120.400 0.005 0.000 2.057 4991 K HA -0.203 4.117 4.320 0.000 0.000 0.207 4991 K C 2.181 178.784 176.600 0.005 0.000 1.049 4991 K CA 1.768 58.058 56.287 0.005 0.000 0.931 4991 K CB -0.058 32.445 32.500 0.005 0.000 0.714 4991 K HN -0.066 nan 8.250 nan 0.000 0.440 4992 E N -0.416 119.789 120.200 0.007 0.000 2.086 4992 E HA -0.058 4.292 4.350 0.000 0.000 0.190 4992 E C 1.563 178.168 176.600 0.008 0.000 0.975 4992 E CA 1.109 57.513 56.400 0.008 0.000 0.813 4992 E CB 0.357 30.063 29.700 0.010 0.000 0.768 4992 E HN 0.132 nan 8.360 nan 0.000 0.457 4993 V N -1.594 118.325 119.914 0.008 0.000 2.911 4993 V HA 0.391 4.511 4.120 0.000 0.000 0.237 4993 V C 1.656 177.754 176.094 0.008 0.000 1.156 4993 V CA 0.849 63.154 62.300 0.008 0.000 1.180 4993 V CB 0.397 32.225 31.823 0.010 0.000 0.932 4993 V HN 0.506 nan 8.190 nan 0.000 0.483 4994 G N 0.132 108.936 108.800 0.007 0.000 4.391 4994 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 4994 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 4994 G C 0.143 175.048 174.900 0.007 0.000 1.547 4994 G CA 0.279 45.383 45.100 0.006 0.000 1.103 4994 G HN 0.441 nan 8.290 nan 0.000 0.637 4995 D N 1.706 122.111 120.400 0.008 0.000 2.387 4995 D HA 0.481 5.121 4.640 0.000 0.000 0.251 4995 D C 1.418 177.722 176.300 0.007 0.000 1.141 4995 D CA 1.263 55.269 54.000 0.009 0.000 0.987 4995 D CB 0.808 41.615 40.800 0.011 0.000 1.116 4995 D HN 1.722 nan 8.370 nan 0.000 0.491 4996 G N 0.432 109.235 108.800 0.006 0.000 2.143 4996 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 4996 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 4996 G C 1.010 175.911 174.900 0.001 0.000 0.981 4996 G CA 1.205 46.307 45.100 0.003 0.000 0.665 4996 G HN 0.613 nan 8.290 nan 0.000 0.528 4997 T N -3.142 111.413 114.554 0.002 0.000 2.821 4997 T HA -0.042 4.308 4.350 0.000 0.000 0.267 4997 T C 2.206 176.904 174.700 -0.002 0.000 1.046 4997 T CA 2.431 64.532 62.100 0.002 0.000 1.139 4997 T CB -0.410 68.460 68.868 0.002 0.000 0.871 4997 T HN 0.276 nan 8.240 nan 0.000 0.454 4998 T N 1.895 116.446 114.554 -0.005 0.000 2.812 4998 T HA -0.043 4.307 4.350 0.000 0.000 0.264 4998 T C 2.234 176.926 174.700 -0.014 0.000 1.042 4998 T CA 1.639 63.733 62.100 -0.010 0.000 1.140 4998 T CB -0.843 68.018 68.868 -0.012 0.000 0.870 4998 T HN 0.482 nan 8.240 nan 0.000 0.445 4999 T N 2.180 116.726 114.554 -0.013 0.000 2.684 4999 T HA -0.097 4.253 4.350 0.000 0.000 0.267 4999 T C 2.383 177.072 174.700 -0.018 0.000 1.036 4999 T CA 1.311 63.400 62.100 -0.018 0.000 1.148 4999 T CB -0.545 68.315 68.868 -0.014 0.000 0.863 4999 T HN 0.436 nan 8.240 nan 0.000 0.436 5000 A N 0.742 123.556 122.820 -0.009 0.000 1.902 5000 A HA -0.028 4.292 4.320 0.000 0.000 0.217 5000 A C 2.592 180.173 177.584 -0.006 0.000 1.181 5000 A CA 1.356 53.391 52.037 -0.003 0.000 0.623 5000 A CB -0.894 18.110 19.000 0.006 0.000 0.818 5000 A HN 0.365 nan 8.150 nan 0.000 0.443 5001 V N -0.962 118.947 119.914 -0.007 0.000 2.323 5001 V HA -0.175 3.945 4.120 0.000 0.000 0.244 5001 V C 2.468 178.552 176.094 -0.017 0.000 1.041 5001 V CA 1.788 64.083 62.300 -0.008 0.000 1.025 5001 V CB -0.632 31.187 31.823 -0.007 0.000 0.656 5001 V HN 0.375 nan 8.190 nan 0.000 0.451 5002 V N -0.377 119.523 119.914 -0.023 0.000 2.515 5002 V HA -0.167 3.953 4.120 0.000 0.000 0.250 5002 V C 2.321 178.389 176.094 -0.042 0.000 1.058 5002 V CA 1.930 64.211 62.300 -0.031 0.000 1.064 5002 V CB 0.320 32.123 31.823 -0.033 0.000 0.675 5002 V HN 0.386 nan 8.190 nan 0.000 0.461 5003 V N 0.339 120.225 119.914 -0.048 0.000 2.358 5003 V HA -0.152 3.968 4.120 0.000 0.000 0.246 5003 V C 2.770 178.827 176.094 -0.061 0.000 1.047 5003 V CA 1.887 64.141 62.300 -0.076 0.000 1.035 5003 V CB -1.066 30.704 31.823 -0.088 0.000 0.658 5003 V HN 0.617 nan 8.190 nan 0.000 0.452 5004 A N 0.496 123.300 122.820 -0.027 0.000 1.933 5004 A HA -0.097 4.223 4.320 0.000 0.000 0.218 5004 A C 2.374 179.954 177.584 -0.006 0.000 1.175 5004 A CA 1.997 54.033 52.037 -0.001 0.000 0.628 5004 A CB -1.080 17.925 19.000 0.008 0.000 0.814 5004 A HN 0.530 nan 8.150 nan 0.000 0.444 5005 G N -0.822 107.967 108.800 -0.020 0.000 2.394 5005 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 5005 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 5005 G C 1.463 176.347 174.900 -0.026 0.000 1.165 5005 G CA 1.139 46.223 45.100 -0.026 0.000 0.784 5005 G HN 0.532 nan 8.290 nan 0.000 0.535 5006 E N 0.330 120.512 120.200 -0.030 0.000 2.106 5006 E HA 0.035 4.385 4.350 0.000 0.000 0.192 5006 E C 2.498 179.095 176.600 -0.005 0.000 0.984 5006 E CA 0.473 56.854 56.400 -0.031 0.000 0.806 5006 E CB -0.330 29.337 29.700 -0.054 0.000 0.750 5006 E HN 0.426 nan 8.360 nan 0.000 0.458 5007 L N -0.329 120.899 121.223 0.009 0.000 2.046 5007 L HA -0.176 4.164 4.340 0.000 0.000 0.208 5007 L C 2.130 179.074 176.870 0.122 0.000 1.077 5007 L CA 0.527 55.447 54.840 0.133 0.000 0.747 5007 L CB -0.384 41.770 42.059 0.159 0.000 0.896 5007 L HN 0.229 nan 8.230 nan 0.000 0.432 5008 L N -0.245 120.991 121.223 0.022 0.000 2.083 5008 L HA -0.191 4.149 4.340 0.000 0.000 0.209 5008 L C 2.703 179.557 176.870 -0.027 0.000 1.083 5008 L CA 1.601 56.422 54.840 -0.033 0.000 0.752 5008 L CB -0.801 41.231 42.059 -0.044 0.000 0.899 5008 L HN 0.183 nan 8.230 nan 0.000 0.433 5009 R N -0.652 119.841 120.500 -0.011 0.000 2.073 5009 R HA -0.140 4.200 4.340 0.000 0.000 0.234 5009 R C 2.103 178.407 176.300 0.007 0.000 1.134 5009 R CA 1.151 57.242 56.100 -0.014 0.000 0.952 5009 R CB 0.053 30.342 30.300 -0.018 0.000 0.850 5009 R HN 0.131 nan 8.270 nan 0.000 0.433 5010 K N 0.109 120.536 120.400 0.044 0.000 2.155 5010 K HA 0.010 4.330 4.320 0.000 0.000 0.203 5010 K C 1.907 178.574 176.600 0.112 0.000 1.052 5010 K CA 1.089 57.423 56.287 0.080 0.000 0.948 5010 K CB -0.129 32.435 32.500 0.106 0.000 0.728 5010 K HN 0.258 nan 8.250 nan 0.000 0.448 5011 A N 1.587 124.469 122.820 0.102 0.000 1.930 5011 A HA -0.162 4.158 4.320 0.000 0.000 0.217 5011 A C 2.154 179.719 177.584 -0.033 0.000 1.175 5011 A CA 1.327 53.360 52.037 -0.007 0.000 0.627 5011 A CB -0.236 18.623 19.000 -0.234 0.000 0.815 5011 A HN 0.220 nan 8.150 nan 0.000 0.443 5012 E N -0.116 120.064 120.200 -0.033 0.000 2.106 5012 E HA -0.208 4.142 4.350 0.000 0.000 0.192 5012 E C 1.940 178.527 176.600 -0.021 0.000 0.984 5012 E CA 1.483 57.859 56.400 -0.040 0.000 0.806 5012 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 5012 E HN 0.626 nan 8.360 nan 0.000 0.458 5013 E N 0.491 120.689 120.200 -0.004 0.000 2.153 5013 E HA -0.157 4.193 4.350 0.000 0.000 0.194 5013 E C 2.047 178.655 176.600 0.013 0.000 0.988 5013 E CA 0.597 57.000 56.400 0.004 0.000 0.811 5013 E CB -0.327 29.380 29.700 0.012 0.000 0.746 5013 E HN 0.182 nan 8.360 nan 0.000 0.466 5014 L N -0.129 121.110 121.223 0.027 0.000 2.109 5014 L HA 0.011 4.351 4.340 0.000 0.000 0.207 5014 L C 2.011 178.889 176.870 0.013 0.000 1.086 5014 L CA 1.422 56.285 54.840 0.038 0.000 0.760 5014 L CB -0.318 41.790 42.059 0.082 0.000 0.910 5014 L HN 0.240 nan 8.230 nan 0.000 0.437 5015 L N -0.732 120.485 121.223 -0.010 0.000 2.141 5015 L HA -0.188 4.152 4.340 0.000 0.000 0.209 5015 L C 2.147 179.003 176.870 -0.023 0.000 1.094 5015 L CA 1.425 56.247 54.840 -0.030 0.000 0.763 5015 L CB -0.599 41.429 42.059 -0.053 0.000 0.908 5015 L HN 0.318 nan 8.230 nan 0.000 0.437 5016 D N -0.576 119.814 120.400 -0.017 0.000 2.178 5016 D HA -0.186 4.454 4.640 0.000 0.000 0.202 5016 D C 2.078 178.375 176.300 -0.005 0.000 0.974 5016 D CA 0.856 54.848 54.000 -0.013 0.000 0.841 5016 D CB 0.193 40.985 40.800 -0.013 0.000 0.953 5016 D HN 0.144 nan 8.370 nan 0.000 0.478 5017 Q N 0.190 119.991 119.800 0.002 0.000 2.482 5017 Q HA 0.024 4.364 4.340 0.000 0.000 0.209 5017 Q C -0.032 175.974 176.000 0.010 0.000 0.961 5017 Q CA 0.272 56.080 55.803 0.008 0.000 0.945 5017 Q CB -0.061 28.685 28.738 0.014 0.000 1.012 5017 Q HN 0.360 nan 8.270 nan 0.000 0.515 5018 N N -0.259 118.444 118.700 0.005 0.000 2.780 5018 N HA -0.127 4.613 4.740 0.000 0.000 0.247 5018 N C -1.185 174.339 175.510 0.024 0.000 1.076 5018 N CA 0.351 53.407 53.050 0.008 0.000 0.688 5018 N CB -1.630 36.865 38.487 0.014 0.000 0.957 5018 N HN -0.015 nan 8.380 nan 0.000 0.551 5019 V N 1.661 121.587 119.914 0.021 0.000 2.350 5019 V HA 0.129 4.249 4.120 0.000 0.000 0.276 5019 V C 0.982 177.101 176.094 0.041 0.000 1.028 5019 V CA -0.732 61.594 62.300 0.044 0.000 0.860 5019 V CB 1.438 33.288 31.823 0.046 0.000 0.990 5019 V HN 0.324 nan 8.190 nan 0.000 0.453 5020 H N 8.024 127.097 119.070 0.005 0.000 3.001 5020 H HA 0.036 4.592 4.556 0.000 0.000 0.334 5020 H C -1.698 173.629 175.328 -0.002 0.000 1.034 5020 H CA -1.054 54.995 56.048 0.002 0.000 1.420 5020 H CB 1.685 31.448 29.762 0.002 0.000 1.405 5020 H HN 0.376 nan 8.280 nan 0.000 0.593 5021 P HA -0.173 nan 4.420 nan 0.000 0.218 5021 P C 1.501 178.856 177.300 0.091 0.000 1.146 5021 P CA 1.695 64.736 63.100 -0.099 0.000 0.820 5021 P CB 0.033 31.619 31.700 -0.191 0.000 0.778 5022 T N -1.873 112.902 114.554 0.368 0.000 2.929 5022 T HA -0.097 4.253 4.350 0.000 0.000 0.271 5022 T C 1.505 176.275 174.700 0.116 0.000 1.085 5022 T CA 0.846 63.076 62.100 0.218 0.000 1.125 5022 T CB -0.472 68.483 68.868 0.145 0.000 0.874 5022 T HN -0.147 nan 8.240 nan 0.000 0.494 5023 I N 0.120 120.764 120.570 0.124 0.000 2.385 5023 I HA 0.072 4.242 4.170 0.000 0.000 0.244 5023 I C 2.562 178.730 176.117 0.086 0.000 1.089 5023 I CA 0.652 62.002 61.300 0.083 0.000 1.410 5023 I CB -1.529 36.520 38.000 0.082 0.000 1.117 5023 I HN 0.112 nan 8.210 nan 0.000 0.429 5024 V N 1.082 121.040 119.914 0.074 0.000 2.469 5024 V HA -0.216 3.904 4.120 0.000 0.000 0.251 5024 V C 2.548 178.675 176.094 0.056 0.000 1.064 5024 V CA 1.588 63.932 62.300 0.074 0.000 1.066 5024 V CB -0.086 31.697 31.823 -0.066 0.000 0.667 5024 V HN 0.184 nan 8.190 nan 0.000 0.461 5025 V N -0.084 119.843 119.914 0.022 0.000 2.427 5025 V HA -0.234 3.886 4.120 0.000 0.000 0.248 5025 V C 2.391 178.530 176.094 0.076 0.000 1.051 5025 V CA 2.489 64.806 62.300 0.028 0.000 1.048 5025 V CB -0.679 31.155 31.823 0.018 0.000 0.666 5025 V HN 0.608 nan 8.190 nan 0.000 0.456 5026 K N 0.207 120.649 120.400 0.070 0.000 2.021 5026 K HA -0.069 4.251 4.320 0.000 0.000 0.205 5026 K C 2.191 178.818 176.600 0.044 0.000 1.047 5026 K CA 1.425 57.740 56.287 0.046 0.000 0.943 5026 K CB -0.539 31.977 32.500 0.027 0.000 0.725 5026 K HN 0.439 nan 8.250 nan 0.000 0.439 5027 G N -0.207 108.638 108.800 0.075 0.000 2.408 5027 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 5027 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 5027 G C 1.148 176.039 174.900 -0.015 0.000 1.150 5027 G CA 0.670 45.782 45.100 0.019 0.000 0.776 5027 G HN 0.286 nan 8.290 nan 0.000 0.542 5028 Y N 0.409 120.678 120.300 -0.050 0.000 2.293 5028 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 5028 Y C 2.981 178.779 175.900 -0.170 0.000 1.137 5028 Y CA 1.367 59.432 58.100 -0.058 0.000 1.202 5028 Y CB -0.095 38.428 38.460 0.106 0.000 0.990 5028 Y HN 0.195 nan 8.280 nan 0.000 0.537 5029 Q N 0.367 120.203 119.800 0.060 0.000 2.049 5029 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 5029 Q C 2.396 178.351 176.000 -0.075 0.000 0.971 5029 Q CA 1.495 57.300 55.803 0.003 0.000 0.833 5029 Q CB -0.314 28.440 28.738 0.027 0.000 0.896 5029 Q HN 0.444 nan 8.270 nan 0.000 0.434 5030 A N 0.919 123.689 122.820 -0.082 0.000 1.877 5030 A HA -0.085 4.235 4.320 0.000 0.000 0.216 5030 A C 2.326 179.879 177.584 -0.051 0.000 1.186 5030 A CA 2.171 54.179 52.037 -0.048 0.000 0.620 5030 A CB -0.917 18.029 19.000 -0.090 0.000 0.822 5030 A HN 0.495 nan 8.150 nan 0.000 0.443 5031 A N -0.350 122.289 122.820 -0.302 0.000 1.930 5031 A HA 0.221 4.541 4.320 0.000 0.000 0.217 5031 A C 2.479 179.596 177.584 -0.779 0.000 1.175 5031 A CA 1.943 53.660 52.037 -0.533 0.000 0.627 5031 A CB -0.918 17.508 19.000 -0.957 0.000 0.815 5031 A HN 1.018 nan 8.150 nan 0.000 0.443 5032 A N -0.784 121.510 122.820 -0.876 0.000 1.898 5032 A HA -0.196 4.124 4.320 0.000 0.000 0.216 5032 A C 2.187 179.707 177.584 -0.107 0.000 1.181 5032 A CA 1.740 53.564 52.037 -0.355 0.000 0.620 5032 A CB -0.559 18.383 19.000 -0.097 0.000 0.819 5032 A HN 0.643 nan 8.150 nan 0.000 0.442 5033 Q N -0.702 119.041 119.800 -0.095 0.000 2.119 5033 Q HA -0.225 4.116 4.340 0.000 0.000 0.201 5033 Q C 2.018 177.989 176.000 -0.048 0.000 0.972 5033 Q CA 1.902 57.683 55.803 -0.037 0.000 0.847 5033 Q CB -0.063 28.666 28.738 -0.015 0.000 0.903 5033 Q HN 0.453 nan 8.270 nan 0.000 0.433 5034 K N 0.272 120.628 120.400 -0.073 0.000 2.103 5034 K HA 0.001 4.322 4.320 0.000 0.000 0.204 5034 K C 1.699 178.248 176.600 -0.086 0.000 1.052 5034 K CA 1.302 57.505 56.287 -0.140 0.000 0.945 5034 K CB -0.473 31.854 32.500 -0.287 0.000 0.722 5034 K HN 0.266 nan 8.250 nan 0.000 0.443 5035 A N 0.698 123.498 122.820 -0.033 0.000 1.933 5035 A HA -0.227 4.093 4.320 0.000 0.000 0.218 5035 A C 2.205 179.813 177.584 0.039 0.000 1.175 5035 A CA 1.834 53.903 52.037 0.053 0.000 0.628 5035 A CB -0.638 18.482 19.000 0.199 0.000 0.814 5035 A HN 0.580 nan 8.150 nan 0.000 0.444 5036 Q N -0.345 119.470 119.800 0.025 0.000 2.084 5036 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 5036 Q C 1.898 177.899 176.000 0.001 0.000 0.978 5036 Q CA 1.823 57.638 55.803 0.020 0.000 0.844 5036 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 5036 Q HN 0.788 nan 8.270 nan 0.000 0.426 5037 E N 0.227 120.415 120.200 -0.020 0.000 2.110 5037 E HA -0.168 4.182 4.350 0.000 0.000 0.193 5037 E C 2.145 178.728 176.600 -0.028 0.000 0.988 5037 E CA 1.043 57.424 56.400 -0.031 0.000 0.804 5037 E CB -0.043 29.622 29.700 -0.058 0.000 0.745 5037 E HN 0.393 nan 8.360 nan 0.000 0.458 5038 L N 0.616 121.821 121.223 -0.030 0.000 2.056 5038 L HA -0.188 4.152 4.340 0.000 0.000 0.207 5038 L C 2.434 179.307 176.870 0.004 0.000 1.078 5038 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 5038 L CB -0.345 41.705 42.059 -0.015 0.000 0.901 5038 L HN 0.174 nan 8.230 nan 0.000 0.433 5039 L N -0.378 120.851 121.223 0.011 0.000 2.046 5039 L HA -0.211 4.129 4.340 0.000 0.000 0.208 5039 L C 2.590 179.467 176.870 0.012 0.000 1.077 5039 L CA 1.386 56.236 54.840 0.016 0.000 0.747 5039 L CB -0.432 41.640 42.059 0.021 0.000 0.896 5039 L HN 0.211 nan 8.230 nan 0.000 0.432 5040 K N -0.809 119.594 120.400 0.006 0.000 2.217 5040 K HA -0.080 4.240 4.320 0.000 0.000 0.202 5040 K C 2.057 178.658 176.600 0.001 0.000 1.051 5040 K CA 1.437 57.726 56.287 0.004 0.000 0.952 5040 K CB -0.138 32.362 32.500 -0.000 0.000 0.736 5040 K HN 0.275 nan 8.250 nan 0.000 0.453 5041 T N 2.059 116.612 114.554 -0.002 0.000 2.737 5041 T HA -0.077 4.273 4.350 0.000 0.000 0.265 5041 T C 1.898 176.601 174.700 0.005 0.000 1.038 5041 T CA 1.315 63.413 62.100 -0.003 0.000 1.144 5041 T CB -0.147 68.715 68.868 -0.010 0.000 0.866 5041 T HN 0.376 nan 8.240 nan 0.000 0.434 5042 I N -0.030 120.548 120.570 0.014 0.000 3.251 5042 I HA 0.395 4.565 4.170 0.000 0.000 0.277 5042 I C 1.113 177.241 176.117 0.018 0.000 1.268 5042 I CA -0.448 60.865 61.300 0.022 0.000 1.449 5042 I CB -0.555 37.470 38.000 0.042 0.000 1.083 5042 I HN -0.041 nan 8.210 nan 0.000 0.464 5043 A N 1.573 124.402 122.820 0.014 0.000 2.566 5043 A HA 0.124 4.444 4.320 0.000 0.000 0.245 5043 A C 0.111 177.701 177.584 0.010 0.000 1.056 5043 A CA -0.005 52.039 52.037 0.013 0.000 0.757 5043 A CB -0.298 18.708 19.000 0.010 0.000 0.979 5043 A HN 0.639 nan 8.150 nan 0.000 0.508 5044 C N 3.469 122.775 119.300 0.011 0.000 2.295 5044 C HA 0.481 4.941 4.460 0.000 0.000 0.331 5044 C C 0.524 175.518 174.990 0.007 0.000 1.280 5044 C CA -0.652 58.371 59.018 0.008 0.000 1.746 5044 C CB -0.295 27.451 27.740 0.009 0.000 2.328 5044 C HN 0.945 nan 8.230 nan 0.000 0.521 5045 E N 3.805 124.008 120.200 0.005 0.000 2.366 5045 E HA 0.424 4.774 4.350 0.000 0.000 0.266 5045 E C -0.258 176.344 176.600 0.004 0.000 1.015 5045 E CA -0.025 56.378 56.400 0.004 0.000 0.906 5045 E CB 0.728 30.429 29.700 0.003 0.000 0.979 5045 E HN 0.716 nan 8.360 nan 0.000 0.443 5046 V N 1.048 120.965 119.914 0.005 0.000 3.102 5046 V HA 0.718 4.838 4.120 0.000 0.000 0.312 5046 V C 0.364 176.460 176.094 0.004 0.000 1.135 5046 V CA -0.687 61.616 62.300 0.004 0.000 1.022 5046 V CB 1.505 33.331 31.823 0.005 0.000 1.056 5046 V HN 0.702 nan 8.190 nan 0.000 0.436 5047 G N 0.527 109.329 108.800 0.003 0.000 2.313 5047 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 5047 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 5047 G C 0.989 175.892 174.900 0.004 0.000 1.281 5047 G CA 0.223 45.325 45.100 0.003 0.000 0.917 5047 G HN 1.661 nan 8.290 nan 0.000 0.501 5048 A N 2.539 125.361 122.820 0.004 0.000 1.908 5048 A HA -0.092 4.228 4.320 0.000 0.000 0.218 5048 A C 2.057 179.643 177.584 0.004 0.000 1.181 5048 A CA 1.298 53.337 52.037 0.004 0.000 0.627 5048 A CB -0.067 18.935 19.000 0.004 0.000 0.818 5048 A HN 0.568 nan 8.150 nan 0.000 0.445 5049 Q N -0.315 119.487 119.800 0.004 0.000 2.198 5049 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 5049 Q C -0.734 175.269 176.000 0.004 0.000 0.848 5049 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 5049 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 5049 Q HN 0.745 nan 8.270 nan 0.000 0.494 5050 D N 1.143 121.545 120.400 0.004 0.000 2.389 5050 D HA -0.050 4.590 4.640 0.000 0.000 0.263 5050 D C 1.226 177.528 176.300 0.003 0.000 1.255 5050 D CA 0.144 54.146 54.000 0.003 0.000 0.914 5050 D CB 0.875 41.677 40.800 0.003 0.000 1.116 5050 D HN -0.228 nan 8.370 nan 0.000 0.502 5051 K N 3.628 124.030 120.400 0.003 0.000 2.015 5051 K HA -0.300 4.020 4.320 0.000 0.000 0.220 5051 K C 1.583 178.184 176.600 0.002 0.000 1.055 5051 K CA 2.238 58.527 56.287 0.003 0.000 0.951 5051 K CB -0.299 32.202 32.500 0.002 0.000 0.725 5051 K HN 0.682 nan 8.250 nan 0.000 0.449 5052 E N -0.543 119.657 120.200 0.001 0.000 2.048 5052 E HA -0.243 4.107 4.350 0.000 0.000 0.202 5052 E C 2.029 178.630 176.600 0.001 0.000 1.021 5052 E CA 1.897 58.297 56.400 -0.001 0.000 0.825 5052 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 5052 E HN 0.353 nan 8.360 nan 0.000 0.454 5053 I N 0.361 120.932 120.570 0.002 0.000 2.493 5053 I HA -0.184 3.987 4.170 0.000 0.000 0.254 5053 I C 1.863 177.983 176.117 0.006 0.000 1.160 5053 I CA 0.715 62.017 61.300 0.004 0.000 1.445 5053 I CB 0.000 38.004 38.000 0.005 0.000 1.086 5053 I HN 0.200 nan 8.210 nan 0.000 0.433 5054 L N -0.103 121.123 121.223 0.005 0.000 2.156 5054 L HA -0.094 4.246 4.340 0.000 0.000 0.208 5054 L C 2.632 179.506 176.870 0.006 0.000 1.095 5054 L CA 2.123 56.967 54.840 0.006 0.000 0.770 5054 L CB -1.438 40.625 42.059 0.006 0.000 0.914 5054 L HN 0.448 nan 8.230 nan 0.000 0.439 5055 T N -4.397 110.160 114.554 0.004 0.000 2.942 5055 T HA -0.108 4.242 4.350 0.000 0.000 0.265 5055 T C 1.893 176.595 174.700 0.003 0.000 1.062 5055 T CA 0.624 62.726 62.100 0.003 0.000 1.139 5055 T CB -0.146 68.722 68.868 -0.000 0.000 0.883 5055 T HN 0.185 nan 8.240 nan 0.000 0.468 5056 K N 0.756 121.158 120.400 0.003 0.000 2.097 5056 K HA 0.162 4.482 4.320 0.000 0.000 0.205 5056 K C 2.158 178.766 176.600 0.014 0.000 1.050 5056 K CA 1.108 57.397 56.287 0.005 0.000 0.938 5056 K CB -0.334 32.168 32.500 0.004 0.000 0.718 5056 K HN 0.373 nan 8.250 nan 0.000 0.442 5057 I N 1.033 121.611 120.570 0.014 0.000 2.163 5057 I HA -0.279 3.891 4.170 0.000 0.000 0.240 5057 I C 2.530 178.659 176.117 0.020 0.000 1.081 5057 I CA 1.142 62.453 61.300 0.018 0.000 1.353 5057 I CB -0.392 37.616 38.000 0.014 0.000 1.054 5057 I HN 0.132 nan 8.210 nan 0.000 0.407 5058 A N 0.652 123.481 122.820 0.016 0.000 1.883 5058 A HA -0.250 4.070 4.320 0.000 0.000 0.217 5058 A C 2.380 179.977 177.584 0.021 0.000 1.186 5058 A CA 1.860 53.906 52.037 0.016 0.000 0.624 5058 A CB -0.636 18.372 19.000 0.012 0.000 0.822 5058 A HN 0.340 nan 8.150 nan 0.000 0.444 5059 M N -0.305 119.307 119.600 0.019 0.000 2.086 5059 M HA -0.136 4.344 4.480 0.000 0.000 0.261 5059 M C 2.449 178.778 176.300 0.048 0.000 1.067 5059 M CA 2.095 57.409 55.300 0.023 0.000 1.116 5059 M CB -0.780 31.822 32.600 0.004 0.000 1.348 5059 M HN 0.711 nan 8.290 nan 0.000 0.407 5060 T N -2.695 111.890 114.554 0.052 0.000 2.915 5060 T HA -0.087 4.263 4.350 0.000 0.000 0.269 5060 T C 1.869 176.608 174.700 0.066 0.000 1.071 5060 T CA 1.545 63.693 62.100 0.080 0.000 1.132 5060 T CB -0.447 68.463 68.868 0.069 0.000 0.878 5060 T HN 0.317 nan 8.240 nan 0.000 0.479 5061 S N 1.112 116.839 115.700 0.045 0.000 2.355 5061 S HA 0.014 4.484 4.470 0.000 0.000 0.222 5061 S C 2.007 176.630 174.600 0.038 0.000 1.031 5061 S CA 0.876 59.097 58.200 0.035 0.000 0.993 5061 S CB -0.619 62.596 63.200 0.025 0.000 0.859 5061 S HN 0.598 nan 8.310 nan 0.000 0.453 5062 I N 1.759 122.354 120.570 0.042 0.000 2.361 5062 I HA -0.088 4.082 4.170 0.000 0.000 0.251 5062 I C 1.307 177.460 176.117 0.060 0.000 1.133 5062 I CA 0.877 62.203 61.300 0.044 0.000 1.413 5062 I CB -0.896 37.128 38.000 0.040 0.000 1.073 5062 I HN 0.444 nan 8.210 nan 0.000 0.424 5063 T N -0.624 113.983 114.554 0.089 0.000 2.903 5063 T HA 0.310 4.660 4.350 0.000 0.000 0.314 5063 T C 1.179 175.912 174.700 0.055 0.000 1.078 5063 T CA 0.102 62.277 62.100 0.124 0.000 1.114 5063 T CB 1.251 70.266 68.868 0.245 0.000 0.987 5063 T HN 0.595 nan 8.240 nan 0.000 0.548 5064 G N 1.291 110.106 108.800 0.026 0.000 2.159 5064 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 5064 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 5064 G C -0.076 174.825 174.900 0.002 0.000 0.977 5064 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 5064 G HN 0.946 nan 8.290 nan 0.000 0.531 5065 K N -0.986 119.427 120.400 0.021 0.000 2.395 5065 K HA 0.596 4.916 4.320 0.000 0.000 0.247 5065 K C 1.482 178.100 176.600 0.029 0.000 0.973 5065 K CA -0.608 55.693 56.287 0.022 0.000 0.828 5065 K CB 1.487 34.002 32.500 0.025 0.000 1.272 5065 K HN 0.188 nan 8.250 nan 0.000 0.439 5066 G N 0.625 109.441 108.800 0.027 0.000 2.462 5066 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 5066 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 5066 G C 1.199 176.120 174.900 0.034 0.000 1.121 5066 G CA 1.222 46.340 45.100 0.030 0.000 0.758 5066 G HN 0.624 nan 8.290 nan 0.000 0.559 5067 A N 1.299 124.139 122.820 0.034 0.000 2.168 5067 A HA 0.100 4.420 4.320 0.000 0.000 0.215 5067 A C 2.106 179.713 177.584 0.039 0.000 1.152 5067 A CA 1.486 53.543 52.037 0.033 0.000 0.716 5067 A CB -0.349 18.669 19.000 0.029 0.000 0.794 5067 A HN 0.650 nan 8.150 nan 0.000 0.465 5068 E N 1.496 121.727 120.200 0.051 0.000 2.267 5068 E HA -0.302 4.048 4.350 0.000 0.000 0.197 5068 E C 1.633 178.268 176.600 0.058 0.000 0.998 5068 E CA 1.398 57.840 56.400 0.069 0.000 0.830 5068 E CB -0.564 29.203 29.700 0.111 0.000 0.751 5068 E HN 0.782 nan 8.360 nan 0.000 0.491 5069 K N 0.928 121.357 120.400 0.048 0.000 2.218 5069 K HA -0.109 4.211 4.320 0.000 0.000 0.205 5069 K C 1.315 177.929 176.600 0.024 0.000 1.046 5069 K CA 1.581 57.890 56.287 0.037 0.000 0.933 5069 K CB -0.072 32.447 32.500 0.032 0.000 0.728 5069 K HN 0.164 nan 8.250 nan 0.000 0.454 5070 A N 1.694 124.528 122.820 0.023 0.000 2.674 5070 A HA 0.167 4.487 4.320 0.000 0.000 0.286 5070 A C 1.095 178.688 177.584 0.014 0.000 0.980 5070 A CA -0.677 51.369 52.037 0.015 0.000 1.028 5070 A CB 0.068 19.077 19.000 0.015 0.000 1.199 5070 A HN 0.408 nan 8.150 nan 0.000 0.499 5071 K N -0.131 120.279 120.400 0.016 0.000 2.280 5071 K HA -0.151 4.169 4.320 0.000 0.000 0.202 5071 K C 0.814 177.417 176.600 0.006 0.000 1.047 5071 K CA 1.808 58.105 56.287 0.016 0.000 0.942 5071 K CB -0.027 32.488 32.500 0.025 0.000 0.739 5071 K HN 0.311 nan 8.250 nan 0.000 0.457 5072 E N 1.549 121.748 120.200 -0.003 0.000 2.072 5072 E HA -0.135 4.215 4.350 0.000 0.000 0.190 5072 E C 1.886 178.485 176.600 -0.002 0.000 0.982 5072 E CA 1.235 57.630 56.400 -0.008 0.000 0.803 5072 E CB -0.037 29.654 29.700 -0.015 0.000 0.755 5072 E HN 0.251 nan 8.360 nan 0.000 0.453 5073 K N 0.650 121.051 120.400 0.002 0.000 2.097 5073 K HA -0.029 4.291 4.320 0.000 0.000 0.205 5073 K C 1.762 178.367 176.600 0.008 0.000 1.050 5073 K CA 0.931 57.221 56.287 0.005 0.000 0.938 5073 K CB -0.210 32.294 32.500 0.007 0.000 0.718 5073 K HN 0.084 nan 8.250 nan 0.000 0.442 5074 L N -0.169 121.060 121.223 0.010 0.000 2.056 5074 L HA -0.087 4.253 4.340 0.000 0.000 0.207 5074 L C 2.450 179.326 176.870 0.010 0.000 1.078 5074 L CA 1.203 56.050 54.840 0.012 0.000 0.749 5074 L CB -0.635 41.432 42.059 0.015 0.000 0.901 5074 L HN 0.254 nan 8.230 nan 0.000 0.433 5075 A N -0.156 122.669 122.820 0.009 0.000 1.933 5075 A HA -0.264 4.056 4.320 0.000 0.000 0.218 5075 A C 2.258 179.846 177.584 0.006 0.000 1.175 5075 A CA 1.888 53.929 52.037 0.008 0.000 0.628 5075 A CB -0.501 18.502 19.000 0.005 0.000 0.814 5075 A HN 0.494 nan 8.150 nan 0.000 0.444 5076 E N 0.319 120.522 120.200 0.005 0.000 2.031 5076 E HA -0.203 4.147 4.350 0.000 0.000 0.193 5076 E C 1.936 178.541 176.600 0.007 0.000 0.994 5076 E CA 1.760 58.163 56.400 0.005 0.000 0.800 5076 E CB -0.334 29.369 29.700 0.004 0.000 0.752 5076 E HN 0.773 nan 8.360 nan 0.000 0.447 5077 I N -1.661 118.914 120.570 0.009 0.000 2.676 5077 I HA -0.065 4.105 4.170 0.000 0.000 0.259 5077 I C 1.895 178.019 176.117 0.011 0.000 1.194 5077 I CA 0.510 61.816 61.300 0.011 0.000 1.473 5077 I CB -0.058 37.951 38.000 0.014 0.000 1.096 5077 I HN 0.044 nan 8.210 nan 0.000 0.443 5078 I N 0.835 121.411 120.570 0.010 0.000 2.406 5078 I HA -0.101 4.069 4.170 0.000 0.000 0.249 5078 I C 2.373 178.495 176.117 0.008 0.000 1.122 5078 I CA 1.051 62.356 61.300 0.009 0.000 1.431 5078 I CB -0.144 37.862 38.000 0.009 0.000 1.087 5078 I HN 0.042 nan 8.210 nan 0.000 0.424 5079 V N 0.183 120.101 119.914 0.008 0.000 2.453 5079 V HA -0.157 3.963 4.120 0.000 0.000 0.247 5079 V C 2.388 178.486 176.094 0.007 0.000 1.048 5079 V CA 1.359 63.663 62.300 0.007 0.000 1.049 5079 V CB -0.581 31.246 31.823 0.006 0.000 0.672 5079 V HN 0.358 nan 8.190 nan 0.000 0.457 5080 E N 0.528 120.732 120.200 0.008 0.000 2.106 5080 E HA -0.140 4.210 4.350 0.000 0.000 0.192 5080 E C 2.370 178.976 176.600 0.010 0.000 0.984 5080 E CA 1.374 57.779 56.400 0.009 0.000 0.806 5080 E CB -0.409 29.296 29.700 0.010 0.000 0.750 5080 E HN 0.559 nan 8.360 nan 0.000 0.458 5081 A N 1.090 123.915 122.820 0.009 0.000 1.902 5081 A HA -0.146 4.174 4.320 0.000 0.000 0.217 5081 A C 2.614 180.202 177.584 0.006 0.000 1.181 5081 A CA 1.511 53.553 52.037 0.008 0.000 0.623 5081 A CB -0.662 18.342 19.000 0.007 0.000 0.818 5081 A HN 0.131 nan 8.150 nan 0.000 0.443 5082 V N -0.335 119.583 119.914 0.006 0.000 2.307 5082 V HA -0.193 3.927 4.120 0.000 0.000 0.245 5082 V C 2.759 178.857 176.094 0.007 0.000 1.045 5082 V CA 2.284 64.587 62.300 0.006 0.000 1.024 5082 V CB -0.843 30.983 31.823 0.006 0.000 0.651 5082 V HN 0.545 nan 8.190 nan 0.000 0.449 5083 S N 0.183 115.888 115.700 0.008 0.000 2.399 5083 S HA -0.165 4.305 4.470 0.000 0.000 0.231 5083 S C 2.167 176.774 174.600 0.012 0.000 1.022 5083 S CA 1.354 59.559 58.200 0.009 0.000 0.983 5083 S CB -0.440 62.765 63.200 0.009 0.000 0.803 5083 S HN 0.646 nan 8.310 nan 0.000 0.480 5084 A N 1.172 124.000 122.820 0.012 0.000 1.873 5084 A HA -0.044 4.276 4.320 0.000 0.000 0.215 5084 A C 2.377 179.971 177.584 0.017 0.000 1.186 5084 A CA 1.759 53.805 52.037 0.016 0.000 0.616 5084 A CB -0.734 18.275 19.000 0.014 0.000 0.823 5084 A HN 0.562 nan 8.150 nan 0.000 0.442 5085 V N -3.411 116.510 119.914 0.011 0.000 3.174 5085 V HA 0.051 4.171 4.120 0.000 0.000 0.254 5085 V C 2.048 178.147 176.094 0.008 0.000 1.120 5085 V CA 1.218 63.523 62.300 0.009 0.000 1.114 5085 V CB -0.398 31.427 31.823 0.004 0.000 0.756 5085 V HN 0.192 nan 8.190 nan 0.000 0.467 5086 V N 0.732 120.650 119.914 0.007 0.000 2.626 5086 V HA -0.124 3.996 4.120 0.000 0.000 0.252 5086 V C 1.638 177.734 176.094 0.005 0.000 1.067 5086 V CA 2.547 64.850 62.300 0.005 0.000 1.081 5086 V CB -0.519 31.307 31.823 0.005 0.000 0.686 5086 V HN 0.847 nan 8.190 nan 0.000 0.468 5087 D N -0.727 119.677 120.400 0.008 0.000 4.438 5087 D HA -0.222 4.418 4.640 0.000 0.000 0.158 5087 D C 0.614 176.916 176.300 0.003 0.000 0.686 5087 D CA 1.959 55.963 54.000 0.006 0.000 1.183 5087 D CB -1.283 39.518 40.800 0.001 0.000 0.623 5087 D HN 0.585 nan 8.370 nan 0.000 0.521 5088 D N 1.134 121.534 120.400 -0.001 0.000 2.398 5088 D HA 0.316 4.956 4.640 0.000 0.000 0.247 5088 D C -0.311 175.989 176.300 -0.000 0.000 1.227 5088 D CA 0.210 54.209 54.000 -0.002 0.000 0.980 5088 D CB 0.492 41.289 40.800 -0.005 0.000 1.106 5088 D HN 0.118 nan 8.370 nan 0.000 0.493 5089 E N -0.406 119.793 120.200 -0.000 0.000 2.261 5089 E HA 0.618 4.968 4.350 0.000 0.000 0.239 5089 E C -0.235 176.365 176.600 0.000 0.000 0.991 5089 E CA -0.485 55.916 56.400 0.001 0.000 0.847 5089 E CB 0.969 30.670 29.700 0.001 0.000 1.223 5089 E HN 0.509 nan 8.360 nan 0.000 0.446 5090 G N 1.160 109.960 108.800 0.000 0.000 2.340 5090 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 5090 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 5090 G C -1.719 173.182 174.900 0.001 0.000 1.488 5090 G CA -0.906 44.194 45.100 0.001 0.000 0.878 5090 G HN 0.074 nan 8.290 nan 0.000 0.618 5091 K N 0.623 121.024 120.400 0.001 0.000 2.553 5091 K HA 0.572 4.892 4.320 0.000 0.000 0.250 5091 K C -1.327 175.273 176.600 0.001 0.000 0.953 5091 K CA -0.522 55.766 56.287 0.001 0.000 0.800 5091 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 5091 K HN 0.527 nan 8.250 nan 0.000 0.435 5092 V N 3.292 123.207 119.914 0.002 0.000 2.398 5092 V HA 0.304 4.424 4.120 0.000 0.000 0.286 5092 V C -0.417 175.677 176.094 0.001 0.000 1.026 5092 V CA -0.712 61.589 62.300 0.001 0.000 0.868 5092 V CB 1.549 33.374 31.823 0.003 0.000 0.982 5092 V HN 0.652 nan 8.190 nan 0.000 0.443 5093 D N 3.477 123.877 120.400 -0.001 0.000 2.471 5093 D HA 0.317 4.957 4.640 0.000 0.000 0.245 5093 D C 0.739 177.037 176.300 -0.003 0.000 1.116 5093 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 5093 D CB 1.791 42.588 40.800 -0.004 0.000 1.123 5093 D HN 0.417 nan 8.370 nan 0.000 0.540 5094 K N 1.990 122.388 120.400 -0.003 0.000 2.442 5094 K HA -0.139 4.181 4.320 0.000 0.000 0.198 5094 K C 0.915 177.510 176.600 -0.008 0.000 1.044 5094 K CA 0.756 57.041 56.287 -0.005 0.000 0.948 5094 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 5094 K HN 0.362 nan 8.250 nan 0.000 0.472 5095 D N 0.331 120.725 120.400 -0.009 0.000 2.219 5095 D HA -0.113 4.527 4.640 0.000 0.000 0.205 5095 D C 1.076 177.366 176.300 -0.017 0.000 0.970 5095 D CA 0.707 54.699 54.000 -0.014 0.000 0.851 5095 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 5095 D HN -0.027 nan 8.370 nan 0.000 0.488 5096 L N 0.524 121.739 121.223 -0.014 0.000 2.612 5096 L HA 0.246 4.586 4.340 0.000 0.000 0.230 5096 L C 0.056 176.917 176.870 -0.016 0.000 1.140 5096 L CA 0.471 55.301 54.840 -0.016 0.000 0.896 5096 L CB -0.526 41.527 42.059 -0.010 0.000 1.065 5096 L HN 0.161 nan 8.230 nan 0.000 0.447 5097 I N 0.318 120.879 120.570 -0.015 0.000 2.437 5097 I HA 0.196 4.366 4.170 0.000 0.000 0.279 5097 I C 0.321 176.426 176.117 -0.019 0.000 1.028 5097 I CA -0.351 60.940 61.300 -0.014 0.000 1.142 5097 I CB 1.698 39.693 38.000 -0.007 0.000 1.266 5097 I HN -0.038 nan 8.210 nan 0.000 0.461 5098 K N 6.466 126.849 120.400 -0.027 0.000 2.174 5098 K HA 0.478 4.798 4.320 0.000 0.000 0.275 5098 K C -0.708 175.874 176.600 -0.030 0.000 1.015 5098 K CA -0.542 55.724 56.287 -0.035 0.000 0.933 5098 K CB 1.061 33.529 32.500 -0.053 0.000 1.025 5098 K HN 0.438 nan 8.250 nan 0.000 0.463 5099 I N 4.693 125.246 120.570 -0.029 0.000 2.337 5099 I HA 0.238 4.408 4.170 0.000 0.000 0.285 5099 I C -0.154 175.945 176.117 -0.030 0.000 1.041 5099 I CA -0.406 60.881 61.300 -0.023 0.000 1.199 5099 I CB 0.958 38.949 38.000 -0.016 0.000 1.370 5099 I HN 0.610 nan 8.210 nan 0.000 0.470 5100 E N 6.322 126.503 120.200 -0.031 0.000 2.202 5100 E HA 0.516 4.866 4.350 0.000 0.000 0.272 5100 E C -0.362 176.226 176.600 -0.019 0.000 0.951 5100 E CA -0.643 55.735 56.400 -0.037 0.000 0.813 5100 E CB 2.952 32.615 29.700 -0.062 0.000 1.151 5100 E HN 0.506 nan 8.360 nan 0.000 0.398 5101 K N 0.585 120.974 120.400 -0.018 0.000 2.468 5101 K HA 0.674 4.994 4.320 0.000 0.000 0.252 5101 K C -0.959 175.638 176.600 -0.005 0.000 0.932 5101 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 5101 K CB 2.146 34.638 32.500 -0.014 0.000 1.241 5101 K HN 0.131 nan 8.250 nan 0.000 0.428 5102 K N 1.639 122.043 120.400 0.008 0.000 2.619 5102 K HA 0.187 4.507 4.320 0.000 0.000 0.251 5102 K C -1.085 175.527 176.600 0.020 0.000 0.987 5102 K CA -0.322 55.973 56.287 0.014 0.000 0.844 5102 K CB 1.812 34.328 32.500 0.027 0.000 1.237 5102 K HN 0.835 nan 8.250 nan 0.000 0.447 5103 S N 1.863 117.573 115.700 0.016 0.000 2.576 5103 S HA 0.694 5.164 4.470 0.000 0.000 0.272 5103 S C 0.496 175.111 174.600 0.025 0.000 1.352 5103 S CA 0.326 58.539 58.200 0.022 0.000 1.021 5103 S CB 0.697 63.912 63.200 0.024 0.000 0.887 5103 S HN 1.338 nan 8.310 nan 0.000 0.542 5104 G N -0.108 108.707 108.800 0.026 0.000 2.453 5104 G HA2 0.504 4.464 3.960 0.000 0.000 0.665 5104 G HA3 0.504 4.464 3.960 0.000 0.000 0.665 5104 G C -0.132 174.782 174.900 0.023 0.000 1.411 5104 G CA -0.131 44.984 45.100 0.024 0.000 0.889 5104 G HN 2.322 nan 8.290 nan 0.000 0.651 5105 A N -0.408 122.424 122.820 0.020 0.000 6.088 5105 A HA 0.405 4.725 4.320 0.000 0.000 0.261 5105 A C 1.369 178.964 177.584 0.018 0.000 2.138 5105 A CA 2.040 54.087 52.037 0.017 0.000 0.708 5105 A CB -1.814 17.197 19.000 0.018 0.000 1.068 5105 A HN 2.924 nan 8.150 nan 0.000 0.364 5106 S N -1.509 114.201 115.700 0.017 0.000 2.766 5106 S HA 0.781 5.251 4.470 0.000 0.000 0.307 5106 S C 1.071 175.682 174.600 0.019 0.000 1.121 5106 S CA -0.086 58.125 58.200 0.017 0.000 0.980 5106 S CB 1.089 64.298 63.200 0.014 0.000 1.159 5106 S HN 1.123 nan 8.310 nan 0.000 0.546 5107 I N 0.580 121.161 120.570 0.019 0.000 2.493 5107 I HA -0.093 4.077 4.170 0.000 0.000 0.254 5107 I C 2.166 178.293 176.117 0.017 0.000 1.160 5107 I CA 1.432 62.744 61.300 0.019 0.000 1.445 5107 I CB -0.492 37.519 38.000 0.020 0.000 1.086 5107 I HN 0.780 nan 8.210 nan 0.000 0.433 5108 D N 1.373 121.782 120.400 0.014 0.000 2.182 5108 D HA -0.223 4.417 4.640 0.000 0.000 0.201 5108 D C 1.387 177.694 176.300 0.013 0.000 0.986 5108 D CA 1.380 55.387 54.000 0.012 0.000 0.847 5108 D CB -0.024 40.781 40.800 0.009 0.000 0.942 5108 D HN 0.340 nan 8.370 nan 0.000 0.467 5109 D N -0.883 119.526 120.400 0.015 0.000 2.348 5109 D HA -0.019 4.621 4.640 0.000 0.000 0.216 5109 D C 0.247 176.561 176.300 0.024 0.000 0.970 5109 D CA 0.509 54.519 54.000 0.017 0.000 0.889 5109 D CB -0.069 40.742 40.800 0.017 0.000 0.912 5109 D HN 0.094 nan 8.370 nan 0.000 0.524 5110 T N 1.614 116.183 114.554 0.025 0.000 2.933 5110 T HA 0.100 4.450 4.350 0.000 0.000 0.306 5110 T C 0.271 174.989 174.700 0.031 0.000 1.045 5110 T CA 0.280 62.398 62.100 0.030 0.000 1.143 5110 T CB 0.339 69.222 68.868 0.024 0.000 1.003 5110 T HN 0.312 nan 8.240 nan 0.000 0.540 5111 E N 1.758 121.983 120.200 0.042 0.000 2.408 5111 E HA 0.602 4.952 4.350 0.000 0.000 0.275 5111 E C -1.562 175.069 176.600 0.053 0.000 0.935 5111 E CA -1.175 55.251 56.400 0.044 0.000 0.775 5111 E CB 1.256 30.984 29.700 0.047 0.000 1.277 5111 E HN 0.338 nan 8.360 nan 0.000 0.455 5112 L N 1.965 123.215 121.223 0.044 0.000 2.289 5112 L HA 0.477 4.817 4.340 0.000 0.000 0.285 5112 L C -1.429 175.477 176.870 0.061 0.000 1.049 5112 L CA -0.490 54.376 54.840 0.044 0.000 0.804 5112 L CB 1.061 43.137 42.059 0.028 0.000 1.195 5112 L HN 0.600 nan 8.230 nan 0.000 0.428 5113 I N 5.083 125.697 120.570 0.073 0.000 2.354 5113 I HA 0.289 4.459 4.170 0.000 0.000 0.286 5113 I C 0.208 176.361 176.117 0.060 0.000 1.007 5113 I CA -0.293 61.067 61.300 0.101 0.000 1.167 5113 I CB 1.184 39.290 38.000 0.176 0.000 1.320 5113 I HN 0.522 nan 8.210 nan 0.000 0.458 5114 K N 6.047 126.477 120.400 0.050 0.000 2.054 5114 K HA 0.473 4.793 4.320 0.000 0.000 0.242 5114 K C 0.323 176.941 176.600 0.030 0.000 1.157 5114 K CA 0.258 56.563 56.287 0.030 0.000 1.079 5114 K CB -0.406 32.106 32.500 0.020 0.000 1.331 5114 K HN 0.947 nan 8.250 nan 0.000 0.317 5115 G N 0.567 109.380 108.800 0.022 0.000 2.491 5115 G HA2 0.062 4.022 3.960 0.000 0.000 0.183 5115 G HA3 0.062 4.022 3.960 0.000 0.000 0.183 5115 G C -1.647 173.243 174.900 -0.017 0.000 1.221 5115 G CA -0.646 44.460 45.100 0.010 0.000 0.996 5115 G HN 0.171 nan 8.290 nan 0.000 0.474 5116 V N 0.803 120.693 119.914 -0.041 0.000 2.531 5116 V HA 0.704 4.824 4.120 0.000 0.000 0.301 5116 V C -0.833 175.175 176.094 -0.143 0.000 1.034 5116 V CA -0.594 61.645 62.300 -0.102 0.000 0.865 5116 V CB 1.453 33.185 31.823 -0.153 0.000 0.995 5116 V HN 0.945 nan 8.190 nan 0.000 0.424 5117 L N 7.513 128.615 121.223 -0.201 0.000 2.305 5117 L HA 0.838 5.178 4.340 0.000 0.000 0.284 5117 L C -0.367 176.336 176.870 -0.279 0.000 1.013 5117 L CA -0.173 54.448 54.840 -0.364 0.000 0.819 5117 L CB 1.686 43.432 42.059 -0.522 0.000 1.227 5117 L HN 0.582 nan 8.230 nan 0.000 0.417 5118 V N 1.564 121.327 119.914 -0.252 0.000 2.715 5118 V HA 0.632 4.752 4.120 0.000 0.000 0.310 5118 V C -0.354 175.668 176.094 -0.120 0.000 1.054 5118 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 5118 V CB 1.789 33.548 31.823 -0.106 0.000 1.007 5118 V HN 0.823 nan 8.190 nan 0.000 0.437 5119 D N 1.664 122.018 120.400 -0.076 0.000 3.134 5119 D HA 0.253 4.893 4.640 0.000 0.000 0.248 5119 D C 0.050 176.348 176.300 -0.004 0.000 1.273 5119 D CA -0.186 53.787 54.000 -0.045 0.000 0.904 5119 D CB -0.001 40.775 40.800 -0.040 0.000 1.089 5119 D HN 0.504 nan 8.370 nan 0.000 0.478 5120 K N 0.715 121.127 120.400 0.021 0.000 2.306 5120 K HA 0.412 4.732 4.320 0.000 0.000 0.236 5120 K C 0.525 177.157 176.600 0.053 0.000 1.013 5120 K CA -0.650 55.669 56.287 0.054 0.000 0.857 5120 K CB 2.336 34.905 32.500 0.114 0.000 1.214 5120 K HN 0.359 nan 8.250 nan 0.000 0.449 5121 E N 0.929 121.154 120.200 0.042 0.000 2.359 5121 E HA 0.360 4.710 4.350 0.000 0.000 0.266 5121 E C -0.686 175.920 176.600 0.010 0.000 0.920 5121 E CA -0.933 55.485 56.400 0.030 0.000 0.788 5121 E CB 1.283 30.997 29.700 0.023 0.000 1.279 5121 E HN 0.214 nan 8.360 nan 0.000 0.438 5122 R N 1.371 121.873 120.500 0.002 0.000 2.296 5122 R HA 0.097 4.437 4.340 0.000 0.000 0.323 5122 R C 1.379 177.671 176.300 -0.013 0.000 1.067 5122 R CA 0.230 56.319 56.100 -0.020 0.000 0.946 5122 R CB 0.417 30.706 30.300 -0.018 0.000 0.991 5122 R HN 0.568 nan 8.270 nan 0.000 0.448 5123 V N 0.011 119.913 119.914 -0.020 0.000 2.720 5123 V HA -0.090 4.030 4.120 0.000 0.000 0.256 5123 V C 0.923 177.014 176.094 -0.004 0.000 1.082 5123 V CA 1.149 63.444 62.300 -0.009 0.000 1.101 5123 V CB -0.254 31.563 31.823 -0.009 0.000 0.693 5123 V HN 0.520 nan 8.190 nan 0.000 0.479 5124 S N -1.076 114.621 115.700 -0.005 0.000 2.526 5124 S HA 0.777 5.247 4.470 0.000 0.000 0.293 5124 S C 0.898 175.495 174.600 -0.004 0.000 1.092 5124 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 5124 S CB 1.874 65.082 63.200 0.013 0.000 1.048 5124 S HN 0.708 nan 8.310 nan 0.000 0.483 5125 A N 2.951 125.766 122.820 -0.009 0.000 2.019 5125 A HA -0.082 4.238 4.320 0.000 0.000 0.219 5125 A C 1.906 179.490 177.584 -0.001 0.000 1.164 5125 A CA 1.718 53.751 52.037 -0.006 0.000 0.644 5125 A CB -0.650 18.343 19.000 -0.012 0.000 0.805 5125 A HN 0.901 nan 8.150 nan 0.000 0.449 5126 Q N -1.088 118.715 119.800 0.005 0.000 2.389 5126 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 5126 Q C 0.490 176.502 176.000 0.020 0.000 0.944 5126 Q CA -0.097 55.718 55.803 0.020 0.000 0.908 5126 Q CB -0.098 28.668 28.738 0.046 0.000 1.002 5126 Q HN 0.674 nan 8.270 nan 0.000 0.493 5127 M N 2.286 121.892 119.600 0.011 0.000 2.243 5127 M HA 0.186 4.666 4.480 0.000 0.000 0.341 5127 M C -2.026 174.271 176.300 -0.005 0.000 1.130 5127 M CA -1.788 53.512 55.300 -0.001 0.000 1.162 5127 M CB 0.406 32.998 32.600 -0.014 0.000 1.497 5127 M HN -0.044 nan 8.290 nan 0.000 0.456 5128 P HA 0.007 nan 4.420 nan 0.000 0.266 5128 P C -0.515 176.780 177.300 -0.009 0.000 1.193 5128 P CA 0.313 63.407 63.100 -0.010 0.000 0.770 5128 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 5129 K N 0.947 121.346 120.400 -0.001 0.000 2.367 5129 K HA 0.108 4.428 4.320 0.000 0.000 0.194 5129 K C 0.509 177.117 176.600 0.012 0.000 1.027 5129 K CA 0.350 56.641 56.287 0.006 0.000 1.075 5129 K CB 0.348 32.854 32.500 0.009 0.000 0.845 5129 K HN 0.330 nan 8.250 nan 0.000 0.529 5130 K N 0.974 121.377 120.400 0.006 0.000 2.550 5130 K HA 0.257 4.577 4.320 0.000 0.000 0.252 5130 K C -1.835 174.768 176.600 0.004 0.000 0.943 5130 K CA -0.494 55.799 56.287 0.010 0.000 0.806 5130 K CB 2.085 34.588 32.500 0.005 0.000 1.289 5130 K HN -0.239 nan 8.250 nan 0.000 0.435 5131 V N 2.885 122.805 119.914 0.010 0.000 2.531 5131 V HA 0.448 4.568 4.120 0.000 0.000 0.301 5131 V C -0.277 175.824 176.094 0.013 0.000 1.034 5131 V CA -0.716 61.587 62.300 0.006 0.000 0.865 5131 V CB 1.755 33.579 31.823 0.001 0.000 0.995 5131 V HN 0.936 nan 8.190 nan 0.000 0.424 5132 T N -0.089 114.469 114.554 0.007 0.000 2.859 5132 T HA 0.556 4.906 4.350 0.000 0.000 0.281 5132 T C -0.004 174.700 174.700 0.007 0.000 1.005 5132 T CA -0.334 61.770 62.100 0.007 0.000 1.025 5132 T CB 1.301 70.170 68.868 0.002 0.000 0.977 5132 T HN 0.778 nan 8.240 nan 0.000 0.458 5133 D N 0.667 121.072 120.400 0.008 0.000 2.697 5133 D HA -0.147 4.493 4.640 0.000 0.000 0.238 5133 D C 0.333 176.640 176.300 0.012 0.000 1.152 5133 D CA 0.867 54.872 54.000 0.008 0.000 0.666 5133 D CB -1.224 39.578 40.800 0.003 0.000 1.037 5133 D HN 1.118 nan 8.370 nan 0.000 0.423 5134 A N 1.485 124.317 122.820 0.020 0.000 2.462 5134 A HA 0.408 4.728 4.320 0.000 0.000 0.243 5134 A C 0.491 178.093 177.584 0.029 0.000 1.076 5134 A CA 0.127 52.179 52.037 0.026 0.000 0.773 5134 A CB 0.605 19.632 19.000 0.045 0.000 1.010 5134 A HN 0.160 nan 8.150 nan 0.000 0.493 5135 K N 2.633 123.046 120.400 0.023 0.000 2.389 5135 K HA 0.419 4.739 4.320 0.000 0.000 0.261 5135 K C -1.319 175.302 176.600 0.035 0.000 1.014 5135 K CA -0.163 56.139 56.287 0.024 0.000 0.920 5135 K CB 1.068 33.575 32.500 0.010 0.000 1.149 5135 K HN 0.530 nan 8.250 nan 0.000 0.444 5136 I N 2.072 122.680 120.570 0.063 0.000 2.331 5136 I HA 0.281 4.451 4.170 0.000 0.000 0.292 5136 I C 0.279 176.451 176.117 0.093 0.000 0.998 5136 I CA -0.317 61.048 61.300 0.109 0.000 1.267 5136 I CB 1.614 39.719 38.000 0.176 0.000 1.386 5136 I HN 0.502 nan 8.210 nan 0.000 0.476 5137 A N 7.370 130.245 122.820 0.092 0.000 2.330 5137 A HA 0.857 5.177 4.320 0.000 0.000 0.327 5137 A C -0.765 176.891 177.584 0.120 0.000 1.155 5137 A CA -0.561 51.521 52.037 0.075 0.000 0.803 5137 A CB 0.733 19.753 19.000 0.033 0.000 1.208 5137 A HN 0.674 nan 8.150 nan 0.000 0.477 5138 L N 3.182 124.462 121.223 0.094 0.000 2.324 5138 L HA 0.371 4.711 4.340 0.000 0.000 0.274 5138 L C -1.257 175.652 176.870 0.064 0.000 1.012 5138 L CA -0.552 54.347 54.840 0.098 0.000 0.859 5138 L CB 1.039 43.137 42.059 0.065 0.000 1.224 5138 L HN 0.499 nan 8.230 nan 0.000 0.429 5139 L N 2.771 124.035 121.223 0.068 0.000 2.309 5139 L HA 0.356 4.696 4.340 0.000 0.000 0.282 5139 L C 0.739 177.635 176.870 0.043 0.000 1.036 5139 L CA 0.211 55.078 54.840 0.045 0.000 0.806 5139 L CB 1.492 43.573 42.059 0.036 0.000 1.220 5139 L HN 0.422 nan 8.230 nan 0.000 0.429 5140 N N 0.460 119.178 118.700 0.030 0.000 2.407 5140 N HA 0.008 4.748 4.740 0.000 0.000 0.182 5140 N C 0.125 175.648 175.510 0.022 0.000 1.079 5140 N CA 0.012 53.077 53.050 0.025 0.000 0.882 5140 N CB 0.377 38.875 38.487 0.019 0.000 1.106 5140 N HN 0.586 nan 8.380 nan 0.000 0.461 5141 C N 1.912 121.224 119.300 0.020 0.000 2.585 5141 C HA 0.746 5.206 4.460 0.000 0.000 0.406 5141 C C 0.843 175.845 174.990 0.019 0.000 1.312 5141 C CA -0.959 58.070 59.018 0.018 0.000 1.924 5141 C CB -1.441 26.309 27.740 0.016 0.000 2.578 5141 C HN 0.507 nan 8.230 nan 0.000 0.580 5142 A N 6.288 129.119 122.820 0.018 0.000 2.540 5142 A HA 0.306 4.626 4.320 0.000 0.000 0.239 5142 A C 0.327 177.923 177.584 0.019 0.000 1.061 5142 A CA 0.118 52.167 52.037 0.019 0.000 0.758 5142 A CB -0.045 18.965 19.000 0.017 0.000 0.991 5142 A HN 0.898 nan 8.150 nan 0.000 0.502 5143 I N 2.581 123.163 120.570 0.020 0.000 2.204 5143 I HA 0.135 4.305 4.170 0.000 0.000 0.291 5143 I C -0.058 176.074 176.117 0.025 0.000 1.153 5143 I CA 0.615 61.928 61.300 0.022 0.000 1.546 5143 I CB -0.558 37.455 38.000 0.021 0.000 1.490 5143 I HN 0.627 nan 8.210 nan 0.000 0.697 5144 E N 4.656 124.870 120.200 0.022 0.000 2.302 5144 E HA 0.397 4.747 4.350 0.000 0.000 0.263 5144 E C -0.988 175.623 176.600 0.019 0.000 0.897 5144 E CA -0.599 55.814 56.400 0.021 0.000 0.809 5144 E CB 2.044 31.755 29.700 0.018 0.000 1.270 5144 E HN 0.235 nan 8.360 nan 0.000 0.410 5145 E N 1.902 122.114 120.200 0.020 0.000 2.275 5145 E HA 0.235 4.585 4.350 0.000 0.000 0.270 5145 E C -0.739 175.869 176.600 0.014 0.000 0.882 5145 E CA -0.612 55.798 56.400 0.017 0.000 0.758 5145 E CB 2.270 31.981 29.700 0.019 0.000 1.195 5145 E HN 0.287 nan 8.360 nan 0.000 0.419 5146 T N 1.491 116.052 114.554 0.010 0.000 2.946 5146 T HA 0.358 4.708 4.350 0.000 0.000 0.311 5146 T C 0.180 174.884 174.700 0.005 0.000 1.063 5146 T CA 0.840 62.944 62.100 0.007 0.000 1.139 5146 T CB 0.286 69.157 68.868 0.006 0.000 0.994 5146 T HN 0.732 nan 8.240 nan 0.000 0.547 5147 A N 2.899 125.720 122.820 0.002 0.000 2.435 5147 A HA -0.084 4.236 4.320 0.000 0.000 0.686 5147 A C 1.365 178.945 177.584 -0.006 0.000 0.138 5147 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 5147 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 5147 A HN 0.801 nan 8.150 nan 0.000 0.548 5148 S N 0.522 116.212 115.700 -0.018 0.000 2.406 5148 S HA -0.078 4.392 4.470 0.000 0.000 0.228 5148 S C 1.689 176.262 174.600 -0.045 0.000 1.020 5148 S CA 1.334 59.513 58.200 -0.035 0.000 0.965 5148 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 5148 S HN 0.736 nan 8.310 nan 0.000 0.488 5149 E N 1.136 121.315 120.200 -0.036 0.000 2.072 5149 E HA -0.009 4.341 4.350 0.000 0.000 0.191 5149 E C 1.962 178.559 176.600 -0.006 0.000 0.985 5149 E CA 0.857 57.239 56.400 -0.031 0.000 0.801 5149 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 5149 E HN 0.409 nan 8.360 nan 0.000 0.452 5150 M N 0.015 119.615 119.600 0.000 0.000 2.200 5150 M HA -0.065 4.415 4.480 0.000 0.000 0.265 5150 M C 2.315 178.629 176.300 0.024 0.000 1.066 5150 M CA 0.731 56.038 55.300 0.012 0.000 1.127 5150 M CB -0.810 31.796 32.600 0.009 0.000 1.379 5150 M HN 0.090 nan 8.290 nan 0.000 0.420 5151 L N 0.668 121.905 121.223 0.024 0.000 2.072 5151 L HA -0.069 4.271 4.340 0.000 0.000 0.205 5151 L C 2.119 179.037 176.870 0.079 0.000 1.079 5151 L CA 1.841 56.705 54.840 0.041 0.000 0.752 5151 L CB -0.570 41.510 42.059 0.034 0.000 0.906 5151 L HN 0.162 nan 8.230 nan 0.000 0.436 5152 K N -0.674 119.772 120.400 0.077 0.000 2.283 5152 K HA -0.169 4.151 4.320 0.000 0.000 0.202 5152 K C 1.691 178.418 176.600 0.212 0.000 1.048 5152 K CA 1.083 57.481 56.287 0.185 0.000 0.948 5152 K CB -0.156 32.303 32.500 -0.067 0.000 0.742 5152 K HN 0.315 nan 8.250 nan 0.000 0.458 5153 D N 0.839 121.301 120.400 0.103 0.000 2.117 5153 D HA -0.131 4.509 4.640 0.000 0.000 0.197 5153 D C 1.795 178.134 176.300 0.064 0.000 0.987 5153 D CA 1.101 55.147 54.000 0.077 0.000 0.829 5153 D CB 0.174 41.000 40.800 0.043 0.000 0.961 5153 D HN -0.012 nan 8.370 nan 0.000 0.460 5154 M N -0.044 119.591 119.600 0.058 0.000 2.117 5154 M HA -0.095 4.385 4.480 0.000 0.000 0.262 5154 M C 2.331 178.646 176.300 0.024 0.000 1.065 5154 M CA 0.638 55.961 55.300 0.037 0.000 1.114 5154 M CB -0.876 31.746 32.600 0.036 0.000 1.361 5154 M HN -0.017 nan 8.290 nan 0.000 0.408 5155 V N 0.478 120.419 119.914 0.045 0.000 2.358 5155 V HA -0.193 3.927 4.120 0.000 0.000 0.246 5155 V C 2.717 178.751 176.094 -0.100 0.000 1.047 5155 V CA 1.723 64.007 62.300 -0.027 0.000 1.035 5155 V CB -1.329 30.497 31.823 0.006 0.000 0.658 5155 V HN 0.473 nan 8.190 nan 0.000 0.452 5156 A N -0.462 122.349 122.820 -0.015 0.000 1.930 5156 A HA -0.223 4.097 4.320 0.000 0.000 0.217 5156 A C 2.177 179.746 177.584 -0.025 0.000 1.175 5156 A CA 1.756 53.780 52.037 -0.021 0.000 0.627 5156 A CB -0.420 18.631 19.000 0.085 0.000 0.815 5156 A HN 0.614 nan 8.150 nan 0.000 0.443 5157 E N -0.386 119.811 120.200 -0.006 0.000 2.106 5157 E HA -0.116 4.234 4.350 0.000 0.000 0.192 5157 E C 1.838 178.427 176.600 -0.019 0.000 0.984 5157 E CA 0.995 57.391 56.400 -0.006 0.000 0.806 5157 E CB -0.251 29.451 29.700 0.005 0.000 0.750 5157 E HN 0.709 nan 8.360 nan 0.000 0.458 5158 I N 1.116 121.667 120.570 -0.032 0.000 2.179 5158 I HA -0.282 3.888 4.170 0.000 0.000 0.242 5158 I C 2.485 178.572 176.117 -0.050 0.000 1.088 5158 I CA 1.060 62.337 61.300 -0.039 0.000 1.357 5158 I CB -0.152 37.818 38.000 -0.050 0.000 1.051 5158 I HN -0.021 nan 8.210 nan 0.000 0.409 5159 K N 1.629 121.983 120.400 -0.076 0.000 2.057 5159 K HA -0.124 4.196 4.320 0.000 0.000 0.207 5159 K C 2.038 178.610 176.600 -0.047 0.000 1.049 5159 K CA 1.728 57.968 56.287 -0.079 0.000 0.931 5159 K CB -0.407 32.020 32.500 -0.121 0.000 0.714 5159 K HN 0.277 nan 8.250 nan 0.000 0.440 5160 A N -0.101 122.697 122.820 -0.036 0.000 1.933 5160 A HA -0.121 4.199 4.320 0.000 0.000 0.218 5160 A C 2.177 179.753 177.584 -0.014 0.000 1.175 5160 A CA 2.089 54.114 52.037 -0.019 0.000 0.628 5160 A CB -0.755 18.238 19.000 -0.010 0.000 0.814 5160 A HN 0.365 nan 8.150 nan 0.000 0.444 5161 S N -1.742 113.950 115.700 -0.014 0.000 2.474 5161 S HA 0.248 4.718 4.470 0.000 0.000 0.235 5161 S C 1.509 176.104 174.600 -0.008 0.000 0.997 5161 S CA 1.158 59.354 58.200 -0.008 0.000 0.949 5161 S CB -0.140 63.057 63.200 -0.005 0.000 0.766 5161 S HN 1.678 nan 8.310 nan 0.000 0.517 5162 G N 0.688 109.478 108.800 -0.015 0.000 2.159 5162 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 5162 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 5162 G C 0.109 174.998 174.900 -0.017 0.000 0.986 5162 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 5162 G HN 0.827 nan 8.290 nan 0.000 0.523 5163 A N 0.038 122.846 122.820 -0.021 0.000 2.477 5163 A HA 0.637 4.957 4.320 0.000 0.000 0.246 5163 A C 1.106 178.668 177.584 -0.037 0.000 1.078 5163 A CA 0.722 52.747 52.037 -0.021 0.000 0.770 5163 A CB 0.216 19.204 19.000 -0.020 0.000 1.011 5163 A HN 0.333 nan 8.150 nan 0.000 0.494 5164 N N 0.607 119.287 118.700 -0.032 0.000 2.257 5164 N HA 0.125 4.865 4.740 0.000 0.000 0.200 5164 N C -0.678 174.794 175.510 -0.063 0.000 1.163 5164 N CA 0.448 53.472 53.050 -0.044 0.000 0.891 5164 N CB 1.046 39.516 38.487 -0.029 0.000 1.067 5164 N HN 0.383 nan 8.380 nan 0.000 0.497 5165 V N 2.512 122.389 119.914 -0.062 0.000 2.540 5165 V HA 0.458 4.578 4.120 0.000 0.000 0.302 5165 V C -0.696 175.311 176.094 -0.145 0.000 1.035 5165 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 5165 V CB 2.993 34.781 31.823 -0.058 0.000 0.992 5165 V HN 0.023 nan 8.190 nan 0.000 0.428 5166 L N 5.632 126.682 121.223 -0.287 0.000 2.446 5166 L HA 0.603 4.943 4.340 0.000 0.000 0.268 5166 L C -1.829 174.831 176.870 -0.351 0.000 0.975 5166 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 5166 L CB 1.469 43.454 42.059 -0.123 0.000 1.225 5166 L HN 0.581 nan 8.230 nan 0.000 0.410 5167 F N 4.419 124.367 119.950 -0.004 0.000 2.388 5167 F HA 0.335 4.862 4.527 -0.000 0.000 0.358 5167 F C 0.527 176.325 175.800 -0.004 0.000 1.122 5167 F CA -0.406 57.591 58.000 -0.005 0.000 1.056 5167 F CB 1.346 40.342 39.000 -0.007 0.000 1.155 5167 F HN 0.445 nan 8.300 nan 0.000 0.461 5168 C N 5.264 124.646 119.300 0.137 0.000 2.303 5168 C HA 0.217 4.677 4.460 0.000 0.000 0.326 5168 C C 1.630 176.670 174.990 0.085 0.000 1.285 5168 C CA -0.463 58.605 59.018 0.085 0.000 1.675 5168 C CB 0.641 28.406 27.740 0.042 0.000 2.289 5168 C HN 0.952 nan 8.230 nan 0.000 0.512 5169 Q N 3.202 123.041 119.800 0.066 0.000 2.124 5169 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 5169 Q C 1.088 177.109 176.000 0.035 0.000 0.977 5169 Q CA 1.590 57.421 55.803 0.046 0.000 0.850 5169 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 5169 Q HN 0.704 nan 8.270 nan 0.000 0.429 5170 K N -0.710 119.709 120.400 0.031 0.000 2.842 5170 K HA 0.350 4.670 4.320 0.000 0.000 0.310 5170 K C 0.495 177.110 176.600 0.026 0.000 0.992 5170 K CA 0.059 56.361 56.287 0.024 0.000 1.207 5170 K CB -0.739 31.773 32.500 0.020 0.000 1.478 5170 K HN 0.131 nan 8.250 nan 0.000 0.601 5171 G N 0.260 109.072 108.800 0.021 0.000 2.562 5171 G HA2 0.534 4.494 3.960 0.000 0.000 0.275 5171 G HA3 0.534 4.494 3.960 0.000 0.000 0.275 5171 G C -0.472 174.440 174.900 0.019 0.000 1.196 5171 G CA -0.557 44.554 45.100 0.019 0.000 0.908 5171 G HN 0.313 nan 8.290 nan 0.000 0.524 5172 I N 0.676 121.257 120.570 0.018 0.000 2.478 5172 I HA 0.166 4.336 4.170 0.000 0.000 0.287 5172 I C -0.530 175.601 176.117 0.022 0.000 1.042 5172 I CA -0.766 60.545 61.300 0.019 0.000 1.067 5172 I CB 2.038 40.045 38.000 0.012 0.000 1.233 5172 I HN 0.415 nan 8.210 nan 0.000 0.431 5173 D N 4.930 125.347 120.400 0.027 0.000 2.414 5173 D HA -0.049 4.591 4.640 0.000 0.000 0.242 5173 D C 0.612 176.936 176.300 0.040 0.000 1.129 5173 D CA 0.174 54.192 54.000 0.031 0.000 0.885 5173 D CB 1.342 42.161 40.800 0.033 0.000 1.198 5173 D HN 0.484 nan 8.370 nan 0.000 0.437 5174 D N 2.789 123.211 120.400 0.036 0.000 2.158 5174 D HA -0.185 4.455 4.640 0.000 0.000 0.197 5174 D C 1.771 178.118 176.300 0.079 0.000 0.995 5174 D CA 0.610 54.635 54.000 0.042 0.000 0.846 5174 D CB -0.032 40.782 40.800 0.024 0.000 0.941 5174 D HN 0.454 nan 8.370 nan 0.000 0.456 5175 L N 0.189 121.461 121.223 0.081 0.000 2.056 5175 L HA -0.140 4.200 4.340 0.000 0.000 0.207 5175 L C 2.184 179.136 176.870 0.136 0.000 1.078 5175 L CA 1.419 56.327 54.840 0.112 0.000 0.749 5175 L CB -0.165 41.934 42.059 0.067 0.000 0.901 5175 L HN -0.021 nan 8.230 nan 0.000 0.433 5176 A N -0.639 122.244 122.820 0.105 0.000 1.933 5176 A HA -0.251 4.069 4.320 0.000 0.000 0.218 5176 A C 2.085 179.733 177.584 0.107 0.000 1.175 5176 A CA 1.645 53.748 52.037 0.111 0.000 0.628 5176 A CB -0.486 18.555 19.000 0.069 0.000 0.814 5176 A HN 0.638 nan 8.150 nan 0.000 0.444 5177 Q N -1.417 118.439 119.800 0.093 0.000 2.084 5177 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 5177 Q C 2.050 178.135 176.000 0.142 0.000 0.978 5177 Q CA 1.628 57.478 55.803 0.079 0.000 0.844 5177 Q CB -0.389 28.382 28.738 0.054 0.000 0.898 5177 Q HN 0.944 nan 8.270 nan 0.000 0.426 5178 H N -0.856 118.247 119.070 0.056 0.000 2.293 5178 H HA -0.196 4.360 4.556 0.000 0.000 0.300 5178 H C 1.941 177.349 175.328 0.134 0.000 1.082 5178 H CA 1.174 57.265 56.048 0.070 0.000 1.308 5178 H CB 0.114 29.910 29.762 0.057 0.000 1.375 5178 H HN 0.238 nan 8.280 nan 0.000 0.495 5179 Y N 1.303 121.598 120.300 -0.007 0.000 2.293 5179 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 5179 Y C 2.334 178.213 175.900 -0.036 0.000 1.137 5179 Y CA 0.921 58.965 58.100 -0.094 0.000 1.202 5179 Y CB -0.557 37.854 38.460 -0.082 0.000 0.990 5179 Y HN 0.206 nan 8.280 nan 0.000 0.537 5180 L N -0.575 120.644 121.223 -0.007 0.000 2.042 5180 L HA -0.256 4.084 4.340 0.000 0.000 0.210 5180 L C 2.713 179.543 176.870 -0.066 0.000 1.076 5180 L CA 1.341 56.120 54.840 -0.100 0.000 0.749 5180 L CB -0.882 41.149 42.059 -0.047 0.000 0.893 5180 L HN 0.234 nan 8.230 nan 0.000 0.432 5181 A N -0.161 122.669 122.820 0.017 0.000 1.933 5181 A HA -0.212 4.108 4.320 0.000 0.000 0.218 5181 A C 2.290 179.893 177.584 0.031 0.000 1.175 5181 A CA 1.582 53.641 52.037 0.036 0.000 0.628 5181 A CB -0.317 18.739 19.000 0.094 0.000 0.814 5181 A HN 0.331 nan 8.150 nan 0.000 0.444 5182 K N -0.406 120.023 120.400 0.048 0.000 2.211 5182 K HA -0.067 4.253 4.320 0.000 0.000 0.203 5182 K C 1.136 177.722 176.600 -0.024 0.000 1.050 5182 K CA 1.109 57.423 56.287 0.046 0.000 0.945 5182 K CB 0.025 32.605 32.500 0.134 0.000 0.732 5182 K HN 0.390 nan 8.250 nan 0.000 0.451 5183 E N -0.399 119.728 120.200 -0.122 0.000 2.479 5183 E HA 0.027 4.377 4.350 0.000 0.000 0.193 5183 E C 0.809 177.350 176.600 -0.097 0.000 1.049 5183 E CA 0.380 56.685 56.400 -0.158 0.000 0.870 5183 E CB 0.745 30.262 29.700 -0.305 0.000 0.944 5183 E HN 0.447 nan 8.360 nan 0.000 0.492 5184 G N 2.042 110.803 108.800 -0.066 0.000 2.160 5184 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 5184 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 5184 G C 0.235 175.100 174.900 -0.058 0.000 1.008 5184 G CA 0.179 45.251 45.100 -0.046 0.000 0.724 5184 G HN 0.265 nan 8.290 nan 0.000 0.514 5185 I N 0.939 121.462 120.570 -0.078 0.000 2.331 5185 I HA 0.438 4.608 4.170 0.000 0.000 0.292 5185 I C 0.984 177.051 176.117 -0.083 0.000 0.998 5185 I CA -1.154 60.094 61.300 -0.087 0.000 1.267 5185 I CB 1.633 39.568 38.000 -0.108 0.000 1.386 5185 I HN 0.144 nan 8.210 nan 0.000 0.476 5186 V N 3.749 123.605 119.914 -0.096 0.000 2.509 5186 V HA 0.915 5.035 4.120 0.000 0.000 0.284 5186 V C 0.049 176.034 176.094 -0.181 0.000 1.047 5186 V CA -0.260 61.971 62.300 -0.115 0.000 0.952 5186 V CB 1.161 32.919 31.823 -0.108 0.000 0.988 5186 V HN 0.828 nan 8.190 nan 0.000 0.469 5187 A N 3.605 126.324 122.820 -0.169 0.000 2.515 5187 A HA 1.007 5.327 4.320 0.000 0.000 0.298 5187 A C -0.350 177.131 177.584 -0.172 0.000 1.059 5187 A CA -0.298 51.620 52.037 -0.198 0.000 0.698 5187 A CB 1.858 20.790 19.000 -0.113 0.000 1.289 5187 A HN 2.349 nan 8.150 nan 0.000 0.404 5188 A N 1.757 124.460 122.820 -0.195 0.000 2.374 5188 A HA 0.772 5.092 4.320 0.000 0.000 0.305 5188 A C -0.081 177.505 177.584 0.003 0.000 1.053 5188 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 5188 A CB 0.932 19.916 19.000 -0.027 0.000 1.229 5188 A HN 1.237 nan 8.150 nan 0.000 0.431 5189 R N 1.661 122.173 120.500 0.020 0.000 2.691 5189 R HA 0.734 5.074 4.340 0.000 0.000 0.259 5189 R C -0.401 175.926 176.300 0.046 0.000 1.048 5189 R CA -0.788 55.332 56.100 0.033 0.000 1.086 5189 R CB 0.446 30.758 30.300 0.020 0.000 1.166 5189 R HN 0.523 nan 8.270 nan 0.000 0.526 5190 R N -0.892 119.632 120.500 0.040 0.000 3.525 5190 R HA -0.109 4.231 4.340 0.000 0.000 0.276 5190 R C -0.745 175.580 176.300 0.041 0.000 1.116 5190 R CA 0.537 56.657 56.100 0.033 0.000 0.745 5190 R CB -2.607 27.708 30.300 0.024 0.000 1.185 5190 R HN 0.534 nan 8.270 nan 0.000 0.454 5191 V N 1.490 121.441 119.914 0.061 0.000 2.572 5191 V HA 0.049 4.169 4.120 0.000 0.000 0.291 5191 V C 1.474 177.582 176.094 0.023 0.000 1.039 5191 V CA -0.174 62.164 62.300 0.065 0.000 1.055 5191 V CB 1.237 33.134 31.823 0.123 0.000 0.969 5191 V HN 0.147 nan 8.190 nan 0.000 0.482 5192 K N 3.484 123.883 120.400 -0.001 0.000 2.484 5192 K HA -0.045 4.275 4.320 0.000 0.000 0.280 5192 K C 1.203 177.791 176.600 -0.021 0.000 1.013 5192 K CA -0.137 56.142 56.287 -0.014 0.000 1.029 5192 K CB 0.423 32.907 32.500 -0.027 0.000 0.902 5192 K HN 0.607 nan 8.250 nan 0.000 0.481 5193 K N 2.347 122.739 120.400 -0.014 0.000 2.103 5193 K HA -0.168 4.152 4.320 0.000 0.000 0.207 5193 K C 1.889 178.473 176.600 -0.026 0.000 1.048 5193 K CA 2.047 58.326 56.287 -0.014 0.000 0.930 5193 K CB -0.407 32.088 32.500 -0.008 0.000 0.716 5193 K HN 0.577 nan 8.250 nan 0.000 0.444 5194 S N 0.245 115.926 115.700 -0.030 0.000 2.368 5194 S HA -0.144 4.326 4.470 0.000 0.000 0.225 5194 S C 1.338 175.903 174.600 -0.058 0.000 1.030 5194 S CA 1.654 59.831 58.200 -0.038 0.000 0.999 5194 S CB -0.465 62.715 63.200 -0.035 0.000 0.844 5194 S HN 0.394 nan 8.310 nan 0.000 0.459 5195 D N 0.847 121.204 120.400 -0.072 0.000 2.218 5195 D HA -0.036 4.604 4.640 0.000 0.000 0.204 5195 D C 1.946 178.157 176.300 -0.148 0.000 0.976 5195 D CA 0.795 54.726 54.000 -0.116 0.000 0.853 5195 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 5195 D HN 0.390 nan 8.370 nan 0.000 0.481 5196 M N 0.344 119.883 119.600 -0.101 0.000 2.117 5196 M HA -0.105 4.375 4.480 0.000 0.000 0.262 5196 M C 2.022 178.277 176.300 -0.075 0.000 1.065 5196 M CA 1.013 56.261 55.300 -0.087 0.000 1.114 5196 M CB -0.776 31.805 32.600 -0.032 0.000 1.361 5196 M HN 0.047 nan 8.290 nan 0.000 0.408 5197 E N 0.993 121.158 120.200 -0.059 0.000 2.150 5197 E HA -0.154 4.196 4.350 0.000 0.000 0.193 5197 E C 1.774 178.340 176.600 -0.057 0.000 0.985 5197 E CA 1.038 57.410 56.400 -0.046 0.000 0.814 5197 E CB 0.085 29.765 29.700 -0.034 0.000 0.752 5197 E HN 0.488 nan 8.360 nan 0.000 0.466 5198 K N 0.202 120.555 120.400 -0.077 0.000 2.057 5198 K HA -0.070 4.250 4.320 0.000 0.000 0.206 5198 K C 2.422 178.963 176.600 -0.098 0.000 1.050 5198 K CA 0.995 57.233 56.287 -0.083 0.000 0.935 5198 K CB -0.102 32.339 32.500 -0.099 0.000 0.715 5198 K HN 0.157 nan 8.250 nan 0.000 0.439 5199 L N 0.525 121.661 121.223 -0.144 0.000 2.093 5199 L HA -0.153 4.187 4.340 0.000 0.000 0.208 5199 L C 2.580 179.403 176.870 -0.079 0.000 1.085 5199 L CA 0.939 55.682 54.840 -0.161 0.000 0.755 5199 L CB -0.524 41.360 42.059 -0.292 0.000 0.904 5199 L HN 0.199 nan 8.230 nan 0.000 0.435 5200 A N -0.223 122.563 122.820 -0.057 0.000 1.898 5200 A HA -0.167 4.153 4.320 0.000 0.000 0.216 5200 A C 2.350 179.925 177.584 -0.015 0.000 1.181 5200 A CA 1.349 53.371 52.037 -0.024 0.000 0.620 5200 A CB -0.245 18.744 19.000 -0.019 0.000 0.819 5200 A HN 0.172 nan 8.150 nan 0.000 0.442 5201 K N -0.138 120.249 120.400 -0.022 0.000 2.057 5201 K HA -0.012 4.308 4.320 0.000 0.000 0.206 5201 K C 2.316 178.915 176.600 -0.003 0.000 1.050 5201 K CA 1.289 57.570 56.287 -0.011 0.000 0.935 5201 K CB -0.681 31.810 32.500 -0.016 0.000 0.715 5201 K HN 0.442 nan 8.250 nan 0.000 0.439 5202 A N 1.240 124.050 122.820 -0.016 0.000 1.832 5202 A HA -0.139 4.181 4.320 0.000 0.000 0.214 5202 A C 2.337 179.924 177.584 0.005 0.000 1.200 5202 A CA 2.615 54.647 52.037 -0.009 0.000 0.610 5202 A CB -1.072 17.910 19.000 -0.030 0.000 0.842 5202 A HN 0.475 nan 8.150 nan 0.000 0.444 5203 T N -4.204 110.349 114.554 -0.000 0.000 3.043 5203 T HA 0.364 4.714 4.350 0.000 0.000 0.263 5203 T C 1.419 176.134 174.700 0.025 0.000 1.094 5203 T CA 1.222 63.331 62.100 0.015 0.000 1.127 5203 T CB -0.129 68.753 68.868 0.023 0.000 0.905 5203 T HN 1.861 nan 8.240 nan 0.000 0.490 5204 G N 1.391 110.204 108.800 0.021 0.000 2.147 5204 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 5204 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 5204 G C 0.216 175.129 174.900 0.022 0.000 1.005 5204 G CA -0.036 45.078 45.100 0.024 0.000 0.713 5204 G HN 1.171 nan 8.290 nan 0.000 0.515 5205 A N -0.414 122.418 122.820 0.020 0.000 2.371 5205 A HA 0.643 4.963 4.320 0.000 0.000 0.257 5205 A C 0.385 177.980 177.584 0.019 0.000 1.089 5205 A CA 0.281 52.333 52.037 0.026 0.000 0.794 5205 A CB 0.521 19.544 19.000 0.038 0.000 1.029 5205 A HN 0.756 nan 8.150 nan 0.000 0.488 5206 N N 1.275 119.988 118.700 0.022 0.000 2.424 5206 N HA 0.369 5.109 4.740 0.000 0.000 0.271 5206 N C -0.917 174.605 175.510 0.020 0.000 0.985 5206 N CA -0.344 52.716 53.050 0.016 0.000 0.921 5206 N CB 1.274 39.770 38.487 0.015 0.000 1.149 5206 N HN 0.280 nan 8.380 nan 0.000 0.492 5207 V N 4.928 124.850 119.914 0.014 0.000 2.446 5207 V HA 0.148 4.268 4.120 0.000 0.000 0.276 5207 V C 0.481 176.584 176.094 0.016 0.000 1.030 5207 V CA -0.169 62.141 62.300 0.016 0.000 1.033 5207 V CB -0.834 30.994 31.823 0.009 0.000 0.993 5207 V HN 0.579 nan 8.190 nan 0.000 0.477 5208 I N 2.372 122.954 120.570 0.020 0.000 2.603 5208 I HA 0.633 4.803 4.170 0.000 0.000 0.300 5208 I C 0.663 176.790 176.117 0.016 0.000 1.017 5208 I CA 0.108 61.418 61.300 0.016 0.000 1.098 5208 I CB 1.964 39.974 38.000 0.017 0.000 1.279 5208 I HN 0.341 nan 8.210 nan 0.000 0.437 5209 T N 1.388 115.950 114.554 0.013 0.000 2.815 5209 T HA 0.091 4.441 4.350 0.000 0.000 0.244 5209 T C 0.727 175.435 174.700 0.013 0.000 1.040 5209 T CA 0.872 62.979 62.100 0.013 0.000 1.176 5209 T CB -0.259 68.615 68.868 0.010 0.000 0.880 5209 T HN 0.677 nan 8.240 nan 0.000 0.414 5210 N N 1.125 119.832 118.700 0.012 0.000 2.472 5210 N HA 0.240 4.980 4.740 0.000 0.000 0.277 5210 N C 0.873 176.390 175.510 0.012 0.000 1.081 5210 N CA -0.129 52.928 53.050 0.011 0.000 0.973 5210 N CB 0.674 39.167 38.487 0.010 0.000 1.105 5210 N HN 0.175 nan 8.380 nan 0.000 0.470 5211 I N 2.352 122.930 120.570 0.012 0.000 2.361 5211 I HA -0.248 3.922 4.170 0.000 0.000 0.251 5211 I C 2.020 178.143 176.117 0.010 0.000 1.133 5211 I CA 0.857 62.164 61.300 0.012 0.000 1.413 5211 I CB -0.041 37.966 38.000 0.013 0.000 1.073 5211 I HN 0.510 nan 8.210 nan 0.000 0.424 5212 K N 1.390 121.796 120.400 0.010 0.000 2.103 5212 K HA -0.222 4.098 4.320 0.000 0.000 0.207 5212 K C 1.332 177.937 176.600 0.008 0.000 1.048 5212 K CA 1.782 58.075 56.287 0.009 0.000 0.930 5212 K CB -0.231 32.274 32.500 0.009 0.000 0.716 5212 K HN 0.252 nan 8.250 nan 0.000 0.444 5213 D N -0.509 119.896 120.400 0.009 0.000 2.277 5213 D HA -0.029 4.611 4.640 0.000 0.000 0.208 5213 D C -0.170 176.135 176.300 0.009 0.000 0.962 5213 D CA 0.173 54.178 54.000 0.008 0.000 0.865 5213 D CB -0.012 40.793 40.800 0.009 0.000 0.939 5213 D HN 0.089 nan 8.370 nan 0.000 0.510 5214 L N 1.170 122.399 121.223 0.009 0.000 2.601 5214 L HA 0.104 4.444 4.340 0.000 0.000 0.277 5214 L C 0.159 177.034 176.870 0.007 0.000 1.219 5214 L CA 0.311 55.156 54.840 0.009 0.000 0.915 5214 L CB 0.047 42.112 42.059 0.009 0.000 1.160 5214 L HN -0.008 nan 8.230 nan 0.000 0.494 5215 S N 3.291 118.996 115.700 0.008 0.000 2.661 5215 S HA 0.788 5.258 4.470 0.000 0.000 0.285 5215 S C 0.774 175.378 174.600 0.007 0.000 1.138 5215 S CA -0.393 57.811 58.200 0.006 0.000 0.855 5215 S CB 1.269 64.473 63.200 0.006 0.000 1.136 5215 S HN 0.842 nan 8.310 nan 0.000 0.484 5216 A N 0.560 123.384 122.820 0.005 0.000 1.978 5216 A HA -0.083 4.237 4.320 0.000 0.000 0.220 5216 A C 1.991 179.581 177.584 0.009 0.000 1.170 5216 A CA 1.353 53.394 52.037 0.006 0.000 0.636 5216 A CB -0.869 18.134 19.000 0.004 0.000 0.810 5216 A HN 0.735 nan 8.150 nan 0.000 0.448 5217 Q N 0.056 119.862 119.800 0.009 0.000 2.437 5217 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 5217 Q C 0.573 176.581 176.000 0.013 0.000 0.972 5217 Q CA 1.063 56.873 55.803 0.011 0.000 0.903 5217 Q CB -0.215 28.529 28.738 0.009 0.000 0.967 5217 Q HN 0.671 nan 8.270 nan 0.000 0.486 5218 D N -0.409 120.000 120.400 0.014 0.000 2.354 5218 D HA 0.021 4.661 4.640 0.000 0.000 0.209 5218 D C 0.069 176.383 176.300 0.022 0.000 1.015 5218 D CA 0.013 54.023 54.000 0.017 0.000 0.867 5218 D CB 0.465 41.275 40.800 0.016 0.000 0.933 5218 D HN 0.104 nan 8.370 nan 0.000 0.520 5219 L N 0.924 122.160 121.223 0.022 0.000 2.397 5219 L HA 0.370 4.710 4.340 0.000 0.000 0.271 5219 L C 1.218 178.106 176.870 0.030 0.000 1.148 5219 L CA -0.103 54.754 54.840 0.028 0.000 0.825 5219 L CB 1.161 43.233 42.059 0.022 0.000 1.117 5219 L HN -0.176 nan 8.230 nan 0.000 0.456 5220 G N 1.069 109.892 108.800 0.038 0.000 2.491 5220 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 5220 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 5220 G C -1.329 173.594 174.900 0.038 0.000 1.189 5220 G CA -0.414 44.708 45.100 0.037 0.000 0.956 5220 G HN 0.570 nan 8.290 nan 0.000 0.491 5221 D N -0.685 119.735 120.400 0.033 0.000 2.350 5221 D HA 0.651 5.291 4.640 0.000 0.000 0.245 5221 D C -0.200 176.116 176.300 0.026 0.000 1.036 5221 D CA 0.141 54.157 54.000 0.027 0.000 0.848 5221 D CB 2.007 42.818 40.800 0.018 0.000 1.307 5221 D HN 0.610 nan 8.370 nan 0.000 0.469 5222 A N 0.648 123.487 122.820 0.030 0.000 2.488 5222 A HA 0.624 4.944 4.320 0.000 0.000 0.298 5222 A C 1.000 178.600 177.584 0.026 0.000 1.044 5222 A CA -0.498 51.557 52.037 0.031 0.000 0.693 5222 A CB 1.509 20.542 19.000 0.055 0.000 1.272 5222 A HN 0.585 nan 8.150 nan 0.000 0.402 5223 G N 0.620 109.429 108.800 0.015 0.000 2.408 5223 G HA2 0.245 4.205 3.960 0.000 0.000 0.217 5223 G HA3 0.245 4.205 3.960 0.000 0.000 0.217 5223 G C 0.393 175.304 174.900 0.020 0.000 1.150 5223 G CA 0.888 45.994 45.100 0.010 0.000 0.776 5223 G HN 0.612 nan 8.290 nan 0.000 0.542 5224 L N 0.262 121.505 121.223 0.033 0.000 2.436 5224 L HA 0.523 4.863 4.340 0.000 0.000 0.268 5224 L C -1.383 175.533 176.870 0.077 0.000 0.974 5224 L CA -0.806 54.060 54.840 0.043 0.000 0.826 5224 L CB 3.084 45.161 42.059 0.032 0.000 1.291 5224 L HN -0.222 nan 8.230 nan 0.000 0.406 5225 V N 2.468 122.430 119.914 0.080 0.000 2.409 5225 V HA 0.493 4.613 4.120 0.000 0.000 0.290 5225 V C -0.579 175.574 176.094 0.098 0.000 1.017 5225 V CA -0.442 61.929 62.300 0.118 0.000 0.841 5225 V CB 1.833 33.727 31.823 0.119 0.000 1.003 5225 V HN 0.783 nan 8.190 nan 0.000 0.426 5226 E N 3.038 123.321 120.200 0.138 0.000 2.343 5226 E HA 0.394 4.744 4.350 0.000 0.000 0.278 5226 E C -1.156 175.545 176.600 0.168 0.000 0.910 5226 E CA -0.659 55.806 56.400 0.108 0.000 0.757 5226 E CB 2.351 32.085 29.700 0.057 0.000 1.218 5226 E HN 0.747 nan 8.360 nan 0.000 0.435 5227 E N 4.134 124.402 120.200 0.113 0.000 2.152 5227 E HA 0.252 4.602 4.350 0.000 0.000 0.285 5227 E C -0.942 175.725 176.600 0.112 0.000 1.043 5227 E CA -0.256 56.220 56.400 0.127 0.000 0.839 5227 E CB 0.673 30.416 29.700 0.072 0.000 1.069 5227 E HN 0.322 nan 8.360 nan 0.000 0.399 5228 R N 3.668 124.275 120.500 0.178 0.000 2.686 5228 R HA 0.386 4.726 4.340 0.000 0.000 0.286 5228 R C -0.739 175.647 176.300 0.144 0.000 0.969 5228 R CA -0.911 55.252 56.100 0.105 0.000 0.898 5228 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 5228 R HN 0.319 nan 8.270 nan 0.000 0.456 5229 K N 2.417 122.863 120.400 0.076 0.000 2.211 5229 K HA 0.380 4.700 4.320 0.000 0.000 0.275 5229 K C -0.672 175.971 176.600 0.071 0.000 1.024 5229 K CA -0.467 55.864 56.287 0.073 0.000 0.887 5229 K CB 1.097 33.623 32.500 0.043 0.000 1.084 5229 K HN 0.295 nan 8.250 nan 0.000 0.463 5230 I N 2.042 122.666 120.570 0.090 0.000 2.390 5230 I HA 0.069 4.239 4.170 0.000 0.000 0.283 5230 I C -0.031 176.119 176.117 0.054 0.000 1.016 5230 I CA -0.062 61.285 61.300 0.078 0.000 1.151 5230 I CB 1.660 39.732 38.000 0.120 0.000 1.293 5230 I HN 0.594 nan 8.210 nan 0.000 0.458 5231 S N 4.343 120.066 115.700 0.039 0.000 3.698 5231 S HA -0.178 4.292 4.470 0.000 0.000 0.338 5231 S C 1.312 175.929 174.600 0.028 0.000 1.089 5231 S CA 0.975 59.193 58.200 0.030 0.000 0.991 5231 S CB -1.411 61.806 63.200 0.029 0.000 0.909 5231 S HN 1.454 nan 8.310 nan 0.000 0.485 5232 G N 0.642 109.459 108.800 0.029 0.000 2.579 5232 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 5232 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 5232 G C -0.351 174.568 174.900 0.032 0.000 1.201 5232 G CA 0.108 45.224 45.100 0.026 0.000 0.710 5232 G HN 0.614 nan 8.290 nan 0.000 0.516 5233 D N 2.483 122.904 120.400 0.034 0.000 2.401 5233 D HA 0.435 5.075 4.640 0.000 0.000 0.254 5233 D C 1.041 177.373 176.300 0.054 0.000 1.192 5233 D CA 0.989 55.011 54.000 0.036 0.000 0.885 5233 D CB 1.236 42.053 40.800 0.030 0.000 1.147 5233 D HN 0.687 nan 8.370 nan 0.000 0.478 5234 S N 2.599 118.329 115.700 0.052 0.000 2.565 5234 S HA 0.584 5.054 4.470 0.000 0.000 0.274 5234 S C 0.103 174.748 174.600 0.074 0.000 1.309 5234 S CA -0.665 57.578 58.200 0.072 0.000 1.043 5234 S CB 1.289 64.523 63.200 0.057 0.000 0.939 5234 S HN 0.397 nan 8.310 nan 0.000 0.504 5235 M N 2.061 121.732 119.600 0.117 0.000 2.593 5235 M HA 0.508 4.988 4.480 0.000 0.000 0.290 5235 M C -1.237 175.137 176.300 0.124 0.000 1.244 5235 M CA -0.593 54.745 55.300 0.064 0.000 0.857 5235 M CB 2.240 34.823 32.600 -0.028 0.000 1.738 5235 M HN 0.566 nan 8.290 nan 0.000 0.461 5236 I N 1.662 122.251 120.570 0.032 0.000 2.339 5236 I HA 0.373 4.543 4.170 0.000 0.000 0.290 5236 I C -1.363 174.751 176.117 -0.004 0.000 0.994 5236 I CA -0.369 61.011 61.300 0.133 0.000 1.191 5236 I CB 0.916 39.043 38.000 0.211 0.000 1.343 5236 I HN 0.425 nan 8.210 nan 0.000 0.458 5237 F N 5.911 125.906 119.950 0.075 0.000 2.405 5237 F HA 0.365 4.892 4.527 0.000 0.000 0.355 5237 F C 0.193 176.036 175.800 0.071 0.000 1.121 5237 F CA -0.736 57.297 58.000 0.053 0.000 1.112 5237 F CB 1.377 40.397 39.000 0.032 0.000 1.126 5237 F HN 0.031 nan 8.300 nan 0.000 0.481 5238 V N 4.354 124.370 119.914 0.170 0.000 2.275 5238 V HA 0.316 4.436 4.120 0.000 0.000 0.272 5238 V C -0.303 175.851 176.094 0.099 0.000 1.028 5238 V CA -0.578 61.800 62.300 0.131 0.000 0.810 5238 V CB 0.253 32.118 31.823 0.070 0.000 1.043 5238 V HN 0.806 nan 8.190 nan 0.000 0.453 5239 E N 3.000 123.266 120.200 0.110 0.000 2.378 5239 E HA 0.679 5.029 4.350 0.000 0.000 0.265 5239 E C -0.618 176.010 176.600 0.046 0.000 0.932 5239 E CA -0.889 55.561 56.400 0.082 0.000 0.795 5239 E CB 1.699 31.463 29.700 0.106 0.000 1.296 5239 E HN 0.208 nan 8.360 nan 0.000 0.438 5240 E N -0.839 119.376 120.200 0.025 0.000 2.596 5240 E HA -0.147 4.203 4.350 0.000 0.000 0.272 5240 E C -0.663 175.929 176.600 -0.014 0.000 1.039 5240 E CA 0.514 56.914 56.400 0.001 0.000 0.804 5240 E CB -2.239 27.462 29.700 0.002 0.000 1.373 5240 E HN 0.597 nan 8.360 nan 0.000 0.404 5241 C N 0.711 120.004 119.300 -0.012 0.000 2.689 5241 C HA 0.068 4.528 4.460 0.000 0.000 0.409 5241 C C 2.296 177.239 174.990 -0.079 0.000 1.293 5241 C CA -0.078 58.925 59.018 -0.024 0.000 2.136 5241 C CB 0.444 28.179 27.740 -0.007 0.000 2.719 5241 C HN 0.384 nan 8.230 nan 0.000 0.644 5242 K N 0.619 120.955 120.400 -0.107 0.000 1.969 5242 K HA -0.090 4.230 4.320 0.000 0.000 0.216 5242 K C 0.416 176.715 176.600 -0.502 0.000 1.048 5242 K CA 1.378 57.498 56.287 -0.279 0.000 0.948 5242 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 5242 K HN 0.686 nan 8.250 nan 0.000 0.442 5243 H N 0.197 119.271 119.070 0.006 0.000 2.488 5243 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 5243 H C -2.534 172.794 175.328 0.001 0.000 1.395 5243 H CA -1.998 54.052 56.048 0.003 0.000 1.491 5243 H CB 0.750 30.513 29.762 0.002 0.000 1.567 5243 H HN 0.193 nan 8.280 nan 0.000 0.508 5244 P HA 0.133 nan 4.420 nan 0.000 0.275 5244 P C 0.267 177.591 177.300 0.040 0.000 1.227 5244 P CA -0.511 62.611 63.100 0.038 0.000 0.781 5244 P CB 1.808 33.516 31.700 0.014 0.000 0.906 5245 K N 0.664 121.078 120.400 0.024 0.000 2.374 5245 K HA 0.449 4.769 4.320 0.000 0.000 0.202 5245 K C 0.285 176.887 176.600 0.002 0.000 1.040 5245 K CA 0.039 56.336 56.287 0.015 0.000 1.085 5245 K CB 0.696 33.203 32.500 0.011 0.000 0.873 5245 K HN 0.534 nan 8.250 nan 0.000 0.539 5246 A N 0.523 123.341 122.820 -0.004 0.000 2.449 5246 A HA 0.686 5.006 4.320 0.000 0.000 0.302 5246 A C -0.902 176.674 177.584 -0.014 0.000 1.048 5246 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 5246 A CB 1.254 20.235 19.000 -0.030 0.000 1.274 5246 A HN -0.004 nan 8.150 nan 0.000 0.410 5247 V N -1.153 118.752 119.914 -0.014 0.000 3.074 5247 V HA 0.978 5.098 4.120 0.000 0.000 0.314 5247 V C -0.428 175.654 176.094 -0.020 0.000 1.117 5247 V CA -0.585 61.709 62.300 -0.010 0.000 1.014 5247 V CB 1.659 33.483 31.823 0.002 0.000 1.057 5247 V HN 0.880 nan 8.190 nan 0.000 0.438 5248 T N 3.307 117.851 114.554 -0.016 0.000 2.886 5248 T HA 0.632 4.982 4.350 0.000 0.000 0.292 5248 T C -0.557 174.141 174.700 -0.003 0.000 1.012 5248 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 5248 T CB 1.492 70.319 68.868 -0.068 0.000 1.018 5248 T HN 0.748 nan 8.240 nan 0.000 0.451 5249 M N 3.405 123.002 119.600 -0.005 0.000 2.072 5249 M HA 0.382 4.862 4.480 0.000 0.000 0.331 5249 M C -0.954 175.353 176.300 0.011 0.000 1.004 5249 M CA -0.905 54.403 55.300 0.013 0.000 0.952 5249 M CB 1.323 33.929 32.600 0.010 0.000 1.511 5249 M HN 0.343 nan 8.290 nan 0.000 0.422 5250 L N 5.787 127.032 121.223 0.036 0.000 2.315 5250 L HA 0.465 4.805 4.340 0.000 0.000 0.283 5250 L C -0.796 176.100 176.870 0.042 0.000 1.089 5250 L CA 0.250 55.115 54.840 0.042 0.000 0.833 5250 L CB 0.248 42.370 42.059 0.105 0.000 1.170 5250 L HN 0.557 nan 8.230 nan 0.000 0.442 5251 I N 6.029 126.615 120.570 0.026 0.000 2.331 5251 I HA 0.391 4.561 4.170 0.000 0.000 0.292 5251 I C 0.336 176.469 176.117 0.027 0.000 0.998 5251 I CA -0.420 60.894 61.300 0.023 0.000 1.267 5251 I CB 0.734 38.741 38.000 0.013 0.000 1.386 5251 I HN 0.611 nan 8.210 nan 0.000 0.476 5252 R N 3.698 124.216 120.500 0.029 0.000 2.828 5252 R HA 0.896 5.236 4.340 0.000 0.000 0.264 5252 R C -0.351 175.964 176.300 0.024 0.000 1.022 5252 R CA -0.969 55.148 56.100 0.028 0.000 1.021 5252 R CB 2.206 32.525 30.300 0.031 0.000 1.163 5252 R HN 0.843 nan 8.270 nan 0.000 0.494 5253 G N -0.774 108.040 108.800 0.024 0.000 2.340 5253 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 5253 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 5253 G C 0.034 174.950 174.900 0.027 0.000 1.498 5253 G CA -0.677 44.438 45.100 0.025 0.000 0.847 5253 G HN 0.398 nan 8.290 nan 0.000 0.594 5254 T N 0.342 114.913 114.554 0.028 0.000 2.881 5254 T HA 0.158 4.508 4.350 0.000 0.000 0.270 5254 T C 0.918 175.639 174.700 0.035 0.000 1.068 5254 T CA 2.099 64.215 62.100 0.028 0.000 1.131 5254 T CB -0.179 68.704 68.868 0.025 0.000 0.871 5254 T HN 0.674 nan 8.240 nan 0.000 0.479 5255 T N 0.175 114.756 114.554 0.045 0.000 2.868 5255 T HA 0.230 4.580 4.350 0.000 0.000 0.306 5255 T C 0.358 175.098 174.700 0.067 0.000 1.224 5255 T CA -0.798 61.341 62.100 0.065 0.000 1.012 5255 T CB 2.434 71.351 68.868 0.082 0.000 1.221 5255 T HN -0.179 nan 8.240 nan 0.000 0.499 5256 E N 0.648 120.888 120.200 0.066 0.000 2.097 5256 E HA -0.180 4.170 4.350 0.000 0.000 0.196 5256 E C 1.565 178.139 176.600 -0.044 0.000 1.000 5256 E CA 1.822 58.221 56.400 -0.002 0.000 0.804 5256 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 5256 E HN 0.605 nan 8.360 nan 0.000 0.454 5257 H N -0.493 118.581 119.070 0.007 0.000 2.457 5257 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 5257 H C 2.121 177.453 175.328 0.007 0.000 1.064 5257 H CA 0.956 57.008 56.048 0.006 0.000 1.330 5257 H CB 0.112 29.878 29.762 0.005 0.000 1.395 5257 H HN -0.061 nan 8.280 nan 0.000 0.541 5258 V N 1.279 121.265 119.914 0.120 0.000 2.323 5258 V HA -0.194 3.926 4.120 0.000 0.000 0.244 5258 V C 2.320 178.438 176.094 0.042 0.000 1.041 5258 V CA 1.805 64.147 62.300 0.070 0.000 1.025 5258 V CB -0.471 31.385 31.823 0.055 0.000 0.656 5258 V HN 0.544 nan 8.190 nan 0.000 0.451 5259 I N -1.728 118.860 120.570 0.029 0.000 2.830 5259 I HA -0.099 4.071 4.170 0.000 0.000 0.263 5259 I C 2.108 178.226 176.117 0.000 0.000 1.230 5259 I CA 1.426 62.734 61.300 0.013 0.000 1.480 5259 I CB -0.578 37.427 38.000 0.008 0.000 1.095 5259 I HN 0.303 nan 8.210 nan 0.000 0.455 5260 E N 1.488 121.683 120.200 -0.009 0.000 2.072 5260 E HA -0.247 4.103 4.350 0.000 0.000 0.191 5260 E C 2.009 178.610 176.600 0.001 0.000 0.985 5260 E CA 1.471 57.858 56.400 -0.021 0.000 0.801 5260 E CB 0.009 29.677 29.700 -0.054 0.000 0.750 5260 E HN 0.559 nan 8.360 nan 0.000 0.452 5261 E N 0.604 120.815 120.200 0.019 0.000 2.106 5261 E HA -0.130 4.220 4.350 0.000 0.000 0.192 5261 E C 1.928 178.539 176.600 0.019 0.000 0.984 5261 E CA 0.803 57.217 56.400 0.023 0.000 0.806 5261 E CB 0.028 29.748 29.700 0.034 0.000 0.750 5261 E HN 0.003 nan 8.360 nan 0.000 0.458 5262 V N 0.950 120.875 119.914 0.019 0.000 2.343 5262 V HA -0.240 3.880 4.120 0.000 0.000 0.247 5262 V C 2.405 178.505 176.094 0.011 0.000 1.051 5262 V CA 1.743 64.053 62.300 0.017 0.000 1.036 5262 V CB -0.957 30.877 31.823 0.018 0.000 0.654 5262 V HN 0.474 nan 8.190 nan 0.000 0.451 5263 A N -0.124 122.700 122.820 0.006 0.000 1.940 5263 A HA -0.202 4.118 4.320 0.000 0.000 0.219 5263 A C 2.354 179.939 177.584 0.002 0.000 1.176 5263 A CA 1.502 53.539 52.037 0.000 0.000 0.631 5263 A CB -0.409 18.587 19.000 -0.007 0.000 0.814 5263 A HN 0.416 nan 8.150 nan 0.000 0.446 5264 R N -0.582 119.921 120.500 0.004 0.000 2.115 5264 R HA 0.048 4.388 4.340 0.000 0.000 0.226 5264 R C 2.388 178.693 176.300 0.009 0.000 1.100 5264 R CA 1.207 57.310 56.100 0.006 0.000 0.980 5264 R CB -0.940 29.364 30.300 0.007 0.000 0.875 5264 R HN 0.527 nan 8.270 nan 0.000 0.445 5265 A N 1.161 123.988 122.820 0.013 0.000 1.898 5265 A HA -0.116 4.204 4.320 0.000 0.000 0.216 5265 A C 2.269 179.862 177.584 0.015 0.000 1.181 5265 A CA 1.797 53.844 52.037 0.017 0.000 0.620 5265 A CB -0.521 18.492 19.000 0.021 0.000 0.819 5265 A HN 0.209 nan 8.150 nan 0.000 0.442 5266 V N -2.494 117.427 119.914 0.012 0.000 2.951 5266 V HA -0.050 4.070 4.120 0.000 0.000 0.255 5266 V C 1.834 177.932 176.094 0.007 0.000 1.088 5266 V CA 2.090 64.396 62.300 0.010 0.000 1.109 5266 V CB -0.543 31.285 31.823 0.008 0.000 0.724 5266 V HN 0.392 nan 8.190 nan 0.000 0.471 5267 D N 1.236 121.639 120.400 0.005 0.000 2.117 5267 D HA -0.164 4.476 4.640 0.000 0.000 0.198 5267 D C 1.764 178.067 176.300 0.005 0.000 0.982 5267 D CA 1.726 55.727 54.000 0.002 0.000 0.828 5267 D CB -0.132 40.668 40.800 0.001 0.000 0.967 5267 D HN 0.488 nan 8.370 nan 0.000 0.464 5268 D N -0.299 120.105 120.400 0.007 0.000 2.103 5268 D HA -0.018 4.622 4.640 0.000 0.000 0.199 5268 D C 1.955 178.261 176.300 0.010 0.000 0.978 5268 D CA 1.384 55.389 54.000 0.009 0.000 0.829 5268 D CB -0.472 40.335 40.800 0.011 0.000 0.981 5268 D HN 0.241 nan 8.370 nan 0.000 0.464 5269 A N 0.649 123.477 122.820 0.012 0.000 1.877 5269 A HA -0.129 4.191 4.320 0.000 0.000 0.216 5269 A C 2.380 179.970 177.584 0.010 0.000 1.186 5269 A CA 1.288 53.333 52.037 0.013 0.000 0.620 5269 A CB -0.905 18.104 19.000 0.015 0.000 0.822 5269 A HN 0.181 nan 8.150 nan 0.000 0.443 5270 V N -0.023 119.896 119.914 0.008 0.000 2.759 5270 V HA -0.081 4.039 4.120 0.000 0.000 0.256 5270 V C 2.299 178.396 176.094 0.006 0.000 1.080 5270 V CA 2.091 64.395 62.300 0.006 0.000 1.101 5270 V CB -0.677 31.148 31.823 0.004 0.000 0.698 5270 V HN 0.570 nan 8.190 nan 0.000 0.477 5271 G N -0.126 108.678 108.800 0.006 0.000 2.404 5271 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 5271 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 5271 G C 1.618 176.522 174.900 0.007 0.000 1.189 5271 G CA 1.327 46.431 45.100 0.006 0.000 0.789 5271 G HN 0.661 nan 8.290 nan 0.000 0.533 5272 V N -1.064 118.855 119.914 0.009 0.000 2.809 5272 V HA -0.006 4.114 4.120 0.000 0.000 0.256 5272 V C 2.629 178.729 176.094 0.010 0.000 1.080 5272 V CA 1.119 63.425 62.300 0.010 0.000 1.102 5272 V CB -0.423 31.407 31.823 0.012 0.000 0.705 5272 V HN 0.118 nan 8.190 nan 0.000 0.475 5273 V N 2.103 122.022 119.914 0.009 0.000 2.407 5273 V HA -0.081 4.039 4.120 0.000 0.000 0.248 5273 V C 2.849 178.948 176.094 0.007 0.000 1.055 5273 V CA 2.317 64.622 62.300 0.008 0.000 1.049 5273 V CB -1.323 30.505 31.823 0.008 0.000 0.662 5273 V HN 0.629 nan 8.190 nan 0.000 0.455 5274 G N -1.459 107.345 108.800 0.007 0.000 2.403 5274 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 5274 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 5274 G C 1.717 176.621 174.900 0.006 0.000 1.154 5274 G CA 1.143 46.246 45.100 0.005 0.000 0.784 5274 G HN 0.529 nan 8.290 nan 0.000 0.538 5275 C N 0.568 119.872 119.300 0.007 0.000 2.425 5275 C HA -0.015 4.445 4.460 0.000 0.000 0.277 5275 C C 3.192 178.187 174.990 0.007 0.000 1.280 5275 C CA 1.536 60.558 59.018 0.007 0.000 1.744 5275 C CB -0.917 26.828 27.740 0.008 0.000 1.989 5275 C HN 0.412 nan 8.230 nan 0.000 0.491 5276 T N 0.962 115.521 114.554 0.008 0.000 2.951 5276 T HA 0.024 4.374 4.350 0.000 0.000 0.268 5276 T C 1.553 176.256 174.700 0.006 0.000 1.073 5276 T CA 0.957 63.062 62.100 0.008 0.000 1.134 5276 T CB -0.195 68.678 68.868 0.008 0.000 0.884 5276 T HN 0.497 nan 8.240 nan 0.000 0.479 5277 I N 0.744 121.317 120.570 0.006 0.000 2.439 5277 I HA -0.078 4.092 4.170 0.000 0.000 0.251 5277 I C 2.466 178.586 176.117 0.004 0.000 1.139 5277 I CA 1.189 62.492 61.300 0.005 0.000 1.438 5277 I CB -0.200 37.802 38.000 0.005 0.000 1.085 5277 I HN 0.298 nan 8.210 nan 0.000 0.427 5278 E N 0.125 120.328 120.200 0.005 0.000 2.086 5278 E HA -0.047 4.303 4.350 0.000 0.000 0.190 5278 E C 0.004 176.607 176.600 0.004 0.000 0.975 5278 E CA 0.661 57.063 56.400 0.004 0.000 0.813 5278 E CB 0.281 29.983 29.700 0.004 0.000 0.768 5278 E HN 0.328 nan 8.360 nan 0.000 0.457 5279 D N -0.134 120.269 120.400 0.005 0.000 2.453 5279 D HA 0.147 4.787 4.640 0.000 0.000 0.238 5279 D C 0.020 176.324 176.300 0.006 0.000 1.088 5279 D CA -0.122 53.882 54.000 0.006 0.000 0.854 5279 D CB 1.603 42.407 40.800 0.007 0.000 1.076 5279 D HN 0.107 nan 8.370 nan 0.000 0.533 5280 G N 2.168 110.971 108.800 0.005 0.000 3.279 5280 G HA2 -0.029 3.931 3.960 0.000 0.000 0.230 5280 G HA3 -0.029 3.931 3.960 0.000 0.000 0.230 5280 G C 0.711 175.614 174.900 0.006 0.000 1.230 5280 G CA -0.039 45.064 45.100 0.005 0.000 0.891 5280 G HN 0.074 nan 8.290 nan 0.000 0.518 5281 R N -0.298 120.206 120.500 0.007 0.000 2.589 5281 R HA 0.741 5.081 4.340 0.000 0.000 0.293 5281 R C -0.856 175.449 176.300 0.010 0.000 0.963 5281 R CA -0.647 55.458 56.100 0.008 0.000 0.905 5281 R CB 1.875 32.179 30.300 0.007 0.000 1.144 5281 R HN 0.172 nan 8.270 nan 0.000 0.459 5282 I N 2.416 122.993 120.570 0.011 0.000 2.828 5282 I HA 0.642 4.812 4.170 0.000 0.000 0.302 5282 I C -1.097 175.029 176.117 0.016 0.000 1.101 5282 I CA -1.113 60.194 61.300 0.013 0.000 1.031 5282 I CB 2.015 40.023 38.000 0.013 0.000 1.231 5282 I HN 0.472 nan 8.210 nan 0.000 0.427 5283 V N 2.386 122.311 119.914 0.018 0.000 2.914 5283 V HA 0.669 4.789 4.120 0.000 0.000 0.314 5283 V C -0.105 176.004 176.094 0.025 0.000 1.084 5283 V CA -0.614 61.699 62.300 0.022 0.000 0.963 5283 V CB 1.383 33.219 31.823 0.023 0.000 1.025 5283 V HN 0.811 nan 8.190 nan 0.000 0.432 5284 S N 2.207 117.925 115.700 0.031 0.000 2.562 5284 S HA 0.634 5.104 4.470 0.000 0.000 0.281 5284 S C 0.525 175.145 174.600 0.033 0.000 1.333 5284 S CA 0.185 58.406 58.200 0.035 0.000 1.052 5284 S CB 0.780 64.006 63.200 0.043 0.000 0.884 5284 S HN 1.775 nan 8.310 nan 0.000 0.506 5285 G N 0.428 109.249 108.800 0.035 0.000 2.782 5285 G HA2 0.566 4.526 3.960 0.000 0.000 0.201 5285 G HA3 0.566 4.526 3.960 0.000 0.000 0.201 5285 G C 0.860 175.779 174.900 0.031 0.000 1.374 5285 G CA -0.559 44.560 45.100 0.031 0.000 1.039 5285 G HN 2.024 nan 8.290 nan 0.000 0.576 5286 G N -1.843 106.974 108.800 0.028 0.000 2.225 5286 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 5286 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 5286 G C 1.456 176.357 174.900 0.003 0.000 1.024 5286 G CA 1.218 46.330 45.100 0.019 0.000 0.784 5286 G HN 2.470 nan 8.290 nan 0.000 0.507 5287 G N -1.454 107.343 108.800 -0.005 0.000 2.162 5287 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 5287 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 5287 G C 1.485 176.372 174.900 -0.023 0.000 0.976 5287 G CA 1.679 46.767 45.100 -0.020 0.000 0.655 5287 G HN 1.972 nan 8.290 nan 0.000 0.533 5288 S N 0.048 115.747 115.700 -0.001 0.000 2.368 5288 S HA -0.164 4.306 4.470 0.000 0.000 0.225 5288 S C 2.807 177.394 174.600 -0.022 0.000 1.030 5288 S CA 2.755 60.961 58.200 0.010 0.000 0.999 5288 S CB -0.581 62.651 63.200 0.052 0.000 0.844 5288 S HN 1.376 nan 8.310 nan 0.000 0.459 5289 T N 0.122 114.670 114.554 -0.010 0.000 2.595 5289 T HA -0.101 4.249 4.350 0.000 0.000 0.264 5289 T C 1.573 176.240 174.700 -0.054 0.000 1.058 5289 T CA 1.637 63.727 62.100 -0.016 0.000 1.166 5289 T CB -1.080 67.789 68.868 0.001 0.000 0.863 5289 T HN 0.426 nan 8.240 nan 0.000 0.415 5290 E N 1.029 121.198 120.200 -0.050 0.000 2.187 5290 E HA -0.094 4.256 4.350 0.000 0.000 0.199 5290 E C 2.284 178.824 176.600 -0.100 0.000 1.004 5290 E CA 1.086 57.447 56.400 -0.064 0.000 0.813 5290 E CB -0.863 28.799 29.700 -0.062 0.000 0.736 5290 E HN 0.421 nan 8.360 nan 0.000 0.468 5291 V N 1.002 120.833 119.914 -0.139 0.000 2.307 5291 V HA -0.232 3.888 4.120 0.000 0.000 0.245 5291 V C 2.386 178.251 176.094 -0.382 0.000 1.045 5291 V CA 1.874 64.040 62.300 -0.224 0.000 1.024 5291 V CB -0.448 31.236 31.823 -0.232 0.000 0.651 5291 V HN 0.301 nan 8.190 nan 0.000 0.449 5292 E N 0.324 120.240 120.200 -0.474 0.000 2.118 5292 E HA -0.207 4.143 4.350 0.000 0.000 0.195 5292 E C 2.155 178.676 176.600 -0.131 0.000 0.992 5292 E CA 1.492 57.641 56.400 -0.418 0.000 0.804 5292 E CB -0.145 29.503 29.700 -0.086 0.000 0.741 5292 E HN 0.586 nan 8.360 nan 0.000 0.458 5293 L N 0.148 121.322 121.223 -0.081 0.000 2.027 5293 L HA -0.138 4.202 4.340 0.000 0.000 0.206 5293 L C 2.860 179.739 176.870 0.015 0.000 1.074 5293 L CA 1.298 56.137 54.840 -0.002 0.000 0.745 5293 L CB -0.579 41.498 42.059 0.029 0.000 0.898 5293 L HN 0.105 nan 8.230 nan 0.000 0.433 5294 S N -0.453 115.231 115.700 -0.027 0.000 2.368 5294 S HA -0.174 4.296 4.470 0.000 0.000 0.225 5294 S C 2.137 176.736 174.600 -0.001 0.000 1.030 5294 S CA 1.106 59.300 58.200 -0.011 0.000 0.999 5294 S CB -0.005 63.169 63.200 -0.043 0.000 0.844 5294 S HN 0.195 nan 8.310 nan 0.000 0.459 5295 M N 0.958 120.539 119.600 -0.032 0.000 2.086 5295 M HA -0.019 4.461 4.480 0.000 0.000 0.261 5295 M C 2.243 178.567 176.300 0.039 0.000 1.067 5295 M CA 1.649 56.952 55.300 0.005 0.000 1.116 5295 M CB -1.255 31.351 32.600 0.011 0.000 1.348 5295 M HN 0.266 nan 8.290 nan 0.000 0.407 5296 K N 0.669 121.092 120.400 0.038 0.000 2.062 5296 K HA 0.013 4.333 4.320 0.000 0.000 0.205 5296 K C 1.892 178.538 176.600 0.076 0.000 1.051 5296 K CA 0.994 57.308 56.287 0.045 0.000 0.941 5296 K CB -0.321 32.189 32.500 0.017 0.000 0.719 5296 K HN 0.263 nan 8.250 nan 0.000 0.440 5297 L N 0.246 121.525 121.223 0.092 0.000 2.275 5297 L HA -0.058 4.282 4.340 0.000 0.000 0.215 5297 L C 2.356 179.310 176.870 0.140 0.000 1.119 5297 L CA 0.873 55.812 54.840 0.166 0.000 0.790 5297 L CB -0.264 41.900 42.059 0.175 0.000 0.919 5297 L HN 0.153 nan 8.230 nan 0.000 0.443 5298 R N 0.015 120.568 120.500 0.088 0.000 2.081 5298 R HA -0.200 4.140 4.340 0.000 0.000 0.235 5298 R C 2.185 178.523 176.300 0.064 0.000 1.131 5298 R CA 1.509 57.644 56.100 0.058 0.000 0.960 5298 R CB -0.175 30.148 30.300 0.038 0.000 0.856 5298 R HN 0.376 nan 8.270 nan 0.000 0.436 5299 E N -0.250 119.999 120.200 0.082 0.000 2.152 5299 E HA -0.202 4.148 4.350 0.000 0.000 0.192 5299 E C 1.588 178.270 176.600 0.136 0.000 0.983 5299 E CA 0.696 57.147 56.400 0.085 0.000 0.818 5299 E CB -0.013 29.731 29.700 0.074 0.000 0.758 5299 E HN 0.253 nan 8.360 nan 0.000 0.467 5300 Y N 0.932 121.228 120.300 -0.007 0.000 2.181 5300 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 5300 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 5300 Y CA 1.267 59.356 58.100 -0.018 0.000 1.164 5300 Y CB -0.826 37.616 38.460 -0.030 0.000 0.982 5300 Y HN 0.130 nan 8.280 nan 0.000 0.515 5301 A N 0.157 122.959 122.820 -0.030 0.000 1.908 5301 A HA -0.180 4.140 4.320 0.000 0.000 0.218 5301 A C 2.145 179.682 177.584 -0.079 0.000 1.181 5301 A CA 1.895 53.865 52.037 -0.110 0.000 0.627 5301 A CB -0.525 18.448 19.000 -0.045 0.000 0.818 5301 A HN 0.478 nan 8.150 nan 0.000 0.445 5302 E N -0.570 119.618 120.200 -0.021 0.000 2.106 5302 E HA -0.105 4.245 4.350 0.000 0.000 0.192 5302 E C 2.174 178.767 176.600 -0.013 0.000 0.984 5302 E CA 1.104 57.498 56.400 -0.009 0.000 0.806 5302 E CB -0.638 29.070 29.700 0.013 0.000 0.750 5302 E HN 0.591 nan 8.360 nan 0.000 0.458 5303 G N 1.102 109.903 108.800 0.002 0.000 2.403 5303 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 5303 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 5303 G C 1.748 176.625 174.900 -0.039 0.000 1.154 5303 G CA 0.286 45.395 45.100 0.015 0.000 0.784 5303 G HN 0.151 nan 8.290 nan 0.000 0.538 5304 I N -0.172 120.319 120.570 -0.132 0.000 2.202 5304 I HA -0.013 4.157 4.170 0.000 0.000 0.242 5304 I C 1.739 177.795 176.117 -0.102 0.000 1.091 5304 I CA 0.762 61.957 61.300 -0.176 0.000 1.368 5304 I CB -0.281 37.519 38.000 -0.334 0.000 1.058 5304 I HN 0.313 nan 8.210 nan 0.000 0.410 5305 S N -1.116 114.532 115.700 -0.087 0.000 3.443 5305 S HA -0.141 4.329 4.470 0.000 0.000 0.635 5305 S C 0.560 175.131 174.600 -0.049 0.000 2.555 5305 S CA 0.868 59.037 58.200 -0.052 0.000 2.778 5305 S CB -1.385 61.795 63.200 -0.034 0.000 0.331 5305 S HN 1.356 nan 8.310 nan 0.000 1.765 5306 G N 0.782 109.564 108.800 -0.030 0.000 2.547 5306 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 5306 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 5306 G C 0.366 175.256 174.900 -0.016 0.000 1.209 5306 G CA 1.067 46.154 45.100 -0.022 0.000 0.959 5306 G HN 1.148 nan 8.290 nan 0.000 0.563 5307 R N 0.572 121.066 120.500 -0.010 0.000 2.127 5307 R HA 0.134 4.474 4.340 0.000 0.000 0.217 5307 R C 2.483 178.785 176.300 0.003 0.000 1.074 5307 R CA 1.509 57.612 56.100 0.005 0.000 0.991 5307 R CB -0.189 30.122 30.300 0.018 0.000 0.895 5307 R HN 0.603 nan 8.270 nan 0.000 0.450 5308 E N 1.266 121.456 120.200 -0.018 0.000 2.204 5308 E HA -0.236 4.114 4.350 0.000 0.000 0.195 5308 E C 1.985 178.550 176.600 -0.057 0.000 0.990 5308 E CA 1.417 57.797 56.400 -0.034 0.000 0.821 5308 E CB -0.093 29.563 29.700 -0.072 0.000 0.750 5308 E HN 0.469 nan 8.360 nan 0.000 0.477 5309 Q N 0.200 119.963 119.800 -0.062 0.000 2.170 5309 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 5309 Q C 1.716 177.696 176.000 -0.033 0.000 0.976 5309 Q CA 1.043 56.804 55.803 -0.069 0.000 0.858 5309 Q CB -0.209 28.497 28.738 -0.054 0.000 0.907 5309 Q HN 0.205 nan 8.270 nan 0.000 0.433 5310 L N 1.071 122.292 121.223 -0.004 0.000 2.109 5310 L HA -0.014 4.326 4.340 0.000 0.000 0.207 5310 L C 2.532 179.431 176.870 0.048 0.000 1.086 5310 L CA 1.866 56.719 54.840 0.022 0.000 0.760 5310 L CB -0.980 41.099 42.059 0.034 0.000 0.910 5310 L HN 0.393 nan 8.230 nan 0.000 0.437 5311 A N -1.324 121.537 122.820 0.069 0.000 1.929 5311 A HA -0.093 4.227 4.320 0.000 0.000 0.216 5311 A C 2.321 179.857 177.584 -0.079 0.000 1.176 5311 A CA 1.546 53.675 52.037 0.153 0.000 0.628 5311 A CB -0.738 18.410 19.000 0.247 0.000 0.816 5311 A HN 0.191 nan 8.150 nan 0.000 0.444 5312 V N 0.001 119.856 119.914 -0.098 0.000 2.427 5312 V HA -0.191 3.929 4.120 0.000 0.000 0.248 5312 V C 2.635 178.699 176.094 -0.050 0.000 1.051 5312 V CA 2.196 64.412 62.300 -0.139 0.000 1.048 5312 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 5312 V HN 0.599 nan 8.190 nan 0.000 0.456 5313 R N 1.204 121.686 120.500 -0.030 0.000 2.081 5313 R HA -0.061 4.279 4.340 0.000 0.000 0.235 5313 R C 2.154 178.452 176.300 -0.003 0.000 1.131 5313 R CA 1.851 57.949 56.100 -0.003 0.000 0.960 5313 R CB -0.921 29.381 30.300 0.002 0.000 0.856 5313 R HN 0.436 nan 8.270 nan 0.000 0.436 5314 A N -0.504 122.313 122.820 -0.005 0.000 1.930 5314 A HA -0.121 4.199 4.320 0.000 0.000 0.217 5314 A C 2.161 179.701 177.584 -0.074 0.000 1.175 5314 A CA 1.335 53.381 52.037 0.015 0.000 0.627 5314 A CB -0.820 18.269 19.000 0.149 0.000 0.815 5314 A HN 0.481 nan 8.150 nan 0.000 0.443 5315 F N 0.881 120.570 119.950 -0.435 0.000 2.075 5315 F HA -0.065 4.462 4.527 0.000 0.000 0.297 5315 F C 2.553 178.237 175.800 -0.194 0.000 1.113 5315 F CA 1.537 59.249 58.000 -0.481 0.000 1.218 5315 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 5315 F HN 0.244 nan 8.300 nan 0.000 0.472 5316 A N -0.159 122.722 122.820 0.103 0.000 1.933 5316 A HA -0.188 4.132 4.320 0.000 0.000 0.218 5316 A C 1.892 179.449 177.584 -0.045 0.000 1.175 5316 A CA 2.006 54.082 52.037 0.064 0.000 0.628 5316 A CB -0.962 18.094 19.000 0.093 0.000 0.814 5316 A HN 0.463 nan 8.150 nan 0.000 0.444 5317 D N -0.050 120.322 120.400 -0.046 0.000 2.149 5317 D HA 0.021 4.661 4.640 0.000 0.000 0.201 5317 D C 2.187 178.441 176.300 -0.078 0.000 0.972 5317 D CA 1.348 55.319 54.000 -0.048 0.000 0.835 5317 D CB -0.368 40.417 40.800 -0.024 0.000 0.966 5317 D HN 0.415 nan 8.370 nan 0.000 0.476 5318 A N 0.477 123.226 122.820 -0.117 0.000 1.969 5318 A HA -0.117 4.203 4.320 0.000 0.000 0.218 5318 A C 2.019 179.497 177.584 -0.177 0.000 1.169 5318 A CA 0.763 52.718 52.037 -0.137 0.000 0.635 5318 A CB -0.529 18.378 19.000 -0.154 0.000 0.810 5318 A HN 0.140 nan 8.150 nan 0.000 0.445 5319 L N 0.273 121.351 121.223 -0.242 0.000 2.191 5319 L HA -0.139 4.201 4.340 0.000 0.000 0.212 5319 L C 1.998 178.794 176.870 -0.124 0.000 1.103 5319 L CA 1.660 56.373 54.840 -0.212 0.000 0.769 5319 L CB -0.756 41.174 42.059 -0.215 0.000 0.908 5319 L HN 0.479 nan 8.230 nan 0.000 0.438 5320 E N -1.382 118.758 120.200 -0.099 0.000 2.515 5320 E HA -0.130 4.220 4.350 0.000 0.000 0.201 5320 E C 2.188 178.750 176.600 -0.064 0.000 1.071 5320 E CA 0.259 56.616 56.400 -0.072 0.000 0.880 5320 E CB -0.063 29.602 29.700 -0.058 0.000 0.828 5320 E HN 0.294 nan 8.360 nan 0.000 0.540 5321 V N 1.044 120.915 119.914 -0.071 0.000 2.594 5321 V HA -0.238 3.882 4.120 0.000 0.000 0.253 5321 V C 1.717 177.779 176.094 -0.053 0.000 1.069 5321 V CA 1.238 63.503 62.300 -0.059 0.000 1.082 5321 V CB -0.172 31.613 31.823 -0.062 0.000 0.680 5321 V HN 0.275 nan 8.190 nan 0.000 0.469 5322 I N 0.352 120.888 120.570 -0.057 0.000 2.162 5322 I HA -0.017 4.153 4.170 0.000 0.000 0.238 5322 I C 0.244 176.334 176.117 -0.045 0.000 1.076 5322 I CA 1.413 62.684 61.300 -0.049 0.000 1.353 5322 I CB -2.837 35.134 38.000 -0.048 0.000 1.063 5322 I HN 0.304 nan 8.210 nan 0.000 0.408 5323 P HA -0.193 nan 4.420 nan 0.000 0.216 5323 P C 1.842 179.119 177.300 -0.038 0.000 1.157 5323 P CA 1.540 64.617 63.100 -0.040 0.000 0.880 5323 P CB -0.217 31.458 31.700 -0.042 0.000 0.791 5324 R N -0.009 120.467 120.500 -0.039 0.000 2.096 5324 R HA -0.140 4.200 4.340 0.000 0.000 0.240 5324 R C 1.921 178.199 176.300 -0.036 0.000 1.139 5324 R CA 2.768 58.847 56.100 -0.036 0.000 0.952 5324 R CB -1.486 28.792 30.300 -0.036 0.000 0.854 5324 R HN 0.283 nan 8.270 nan 0.000 0.436 5325 T N -1.579 112.952 114.554 -0.039 0.000 3.067 5325 T HA 0.020 4.370 4.350 0.000 0.000 0.257 5325 T C 2.005 176.677 174.700 -0.046 0.000 1.105 5325 T CA 0.098 62.174 62.100 -0.040 0.000 1.104 5325 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 5325 T HN 0.025 nan 8.240 nan 0.000 0.498 5326 L N 1.674 122.867 121.223 -0.049 0.000 2.083 5326 L HA 0.229 4.569 4.340 0.000 0.000 0.209 5326 L C 2.926 179.757 176.870 -0.066 0.000 1.083 5326 L CA 1.626 56.430 54.840 -0.061 0.000 0.752 5326 L CB -1.201 40.825 42.059 -0.055 0.000 0.899 5326 L HN 0.455 nan 8.230 nan 0.000 0.433 5327 A N -1.535 121.254 122.820 -0.050 0.000 1.935 5327 A HA -0.117 4.203 4.320 0.000 0.000 0.214 5327 A C 2.230 179.789 177.584 -0.043 0.000 1.178 5327 A CA 1.008 53.017 52.037 -0.046 0.000 0.640 5327 A CB -0.366 18.614 19.000 -0.033 0.000 0.825 5327 A HN 0.341 nan 8.150 nan 0.000 0.447 5328 E N 1.614 121.791 120.200 -0.038 0.000 2.033 5328 E HA -0.258 4.092 4.350 0.000 0.000 0.199 5328 E C 1.682 178.260 176.600 -0.036 0.000 1.011 5328 E CA 2.053 58.433 56.400 -0.034 0.000 0.815 5328 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 5328 E HN 0.767 nan 8.360 nan 0.000 0.451 5329 N N -0.126 118.549 118.700 -0.042 0.000 2.467 5329 N HA 0.014 4.754 4.740 0.000 0.000 0.184 5329 N C 1.077 176.555 175.510 -0.054 0.000 1.106 5329 N CA 1.054 54.078 53.050 -0.044 0.000 0.892 5329 N CB -0.195 38.265 38.487 -0.044 0.000 0.969 5329 N HN 0.189 nan 8.380 nan 0.000 0.454 5330 A N -0.223 122.559 122.820 -0.065 0.000 2.208 5330 A HA 0.480 4.800 4.320 0.000 0.000 0.209 5330 A C 1.626 179.178 177.584 -0.054 0.000 1.161 5330 A CA 0.468 52.458 52.037 -0.078 0.000 0.782 5330 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 5330 A HN 0.615 nan 8.150 nan 0.000 0.477 5331 G N -1.629 107.147 108.800 -0.040 0.000 2.132 5331 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 5331 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 5331 G C -0.169 174.717 174.900 -0.023 0.000 0.989 5331 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 5331 G HN 0.278 nan 8.290 nan 0.000 0.522 5332 L N 0.790 121.997 121.223 -0.027 0.000 2.344 5332 L HA 0.517 4.857 4.340 0.000 0.000 0.272 5332 L C 0.283 177.142 176.870 -0.019 0.000 1.035 5332 L CA -0.846 53.982 54.840 -0.021 0.000 0.807 5332 L CB 1.368 43.413 42.059 -0.023 0.000 1.237 5332 L HN 0.211 nan 8.230 nan 0.000 0.442 5333 D N 1.426 121.818 120.400 -0.014 0.000 2.346 5333 D HA 0.112 4.752 4.640 0.000 0.000 0.260 5333 D C 0.829 177.120 176.300 -0.015 0.000 1.252 5333 D CA 0.112 54.104 54.000 -0.013 0.000 0.895 5333 D CB 1.602 42.397 40.800 -0.009 0.000 1.097 5333 D HN 0.642 nan 8.370 nan 0.000 0.489 5334 A N 5.458 128.267 122.820 -0.017 0.000 1.908 5334 A HA -0.192 4.128 4.320 0.000 0.000 0.218 5334 A C 2.139 179.713 177.584 -0.016 0.000 1.181 5334 A CA 0.881 52.906 52.037 -0.019 0.000 0.627 5334 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 5334 A HN 0.710 nan 8.150 nan 0.000 0.445 5335 I N -0.258 120.304 120.570 -0.013 0.000 2.163 5335 I HA -0.200 3.970 4.170 0.000 0.000 0.240 5335 I C 2.475 178.588 176.117 -0.007 0.000 1.081 5335 I CA 1.857 63.151 61.300 -0.010 0.000 1.353 5335 I CB -1.517 36.477 38.000 -0.009 0.000 1.054 5335 I HN 0.572 nan 8.210 nan 0.000 0.407 5336 E N 0.939 121.135 120.200 -0.006 0.000 2.077 5336 E HA -0.207 4.143 4.350 0.000 0.000 0.193 5336 E C 2.313 178.912 176.600 -0.002 0.000 0.989 5336 E CA 1.123 57.522 56.400 -0.003 0.000 0.800 5336 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 5336 E HN 0.238 nan 8.360 nan 0.000 0.452 5337 I N 0.860 121.427 120.570 -0.005 0.000 2.202 5337 I HA -0.234 3.936 4.170 0.000 0.000 0.242 5337 I C 2.398 178.514 176.117 -0.003 0.000 1.091 5337 I CA 0.808 62.106 61.300 -0.003 0.000 1.368 5337 I CB -0.964 37.031 38.000 -0.008 0.000 1.058 5337 I HN 0.244 nan 8.210 nan 0.000 0.410 5338 L N 0.136 121.354 121.223 -0.008 0.000 2.131 5338 L HA -0.146 4.194 4.340 0.000 0.000 0.210 5338 L C 2.574 179.442 176.870 -0.003 0.000 1.092 5338 L CA 1.265 56.099 54.840 -0.010 0.000 0.759 5338 L CB -1.000 41.049 42.059 -0.016 0.000 0.903 5338 L HN -0.001 nan 8.230 nan 0.000 0.435 5339 V N -0.825 119.089 119.914 -0.000 0.000 2.358 5339 V HA -0.272 3.848 4.120 0.000 0.000 0.246 5339 V C 2.422 178.523 176.094 0.011 0.000 1.047 5339 V CA 1.564 63.867 62.300 0.004 0.000 1.035 5339 V CB -0.491 31.334 31.823 0.003 0.000 0.658 5339 V HN 0.427 nan 8.190 nan 0.000 0.452 5340 K N -0.408 119.998 120.400 0.010 0.000 2.097 5340 K HA -0.075 4.245 4.320 0.000 0.000 0.205 5340 K C 2.018 178.632 176.600 0.023 0.000 1.050 5340 K CA 1.115 57.411 56.287 0.015 0.000 0.938 5340 K CB -0.204 32.303 32.500 0.012 0.000 0.718 5340 K HN 0.324 nan 8.250 nan 0.000 0.442 5341 V N 1.153 121.080 119.914 0.022 0.000 2.346 5341 V HA -0.164 3.956 4.120 0.000 0.000 0.244 5341 V C 2.135 178.259 176.094 0.051 0.000 1.037 5341 V CA 1.453 63.773 62.300 0.033 0.000 1.029 5341 V CB -0.388 31.445 31.823 0.017 0.000 0.663 5341 V HN 0.230 nan 8.190 nan 0.000 0.454 5342 R N 0.377 120.895 120.500 0.030 0.000 2.096 5342 R HA -0.104 4.236 4.340 0.000 0.000 0.235 5342 R C 2.410 178.752 176.300 0.071 0.000 1.127 5342 R CA 1.475 57.596 56.100 0.035 0.000 0.968 5342 R CB -0.586 29.718 30.300 0.006 0.000 0.861 5342 R HN 0.530 nan 8.270 nan 0.000 0.440 5343 A N 1.257 124.107 122.820 0.050 0.000 1.898 5343 A HA -0.069 4.251 4.320 0.000 0.000 0.216 5343 A C 2.376 179.992 177.584 0.054 0.000 1.181 5343 A CA 1.537 53.602 52.037 0.047 0.000 0.620 5343 A CB -0.606 18.411 19.000 0.029 0.000 0.819 5343 A HN 0.382 nan 8.150 nan 0.000 0.442 5344 A N -1.184 121.670 122.820 0.057 0.000 1.933 5344 A HA -0.224 4.096 4.320 0.000 0.000 0.218 5344 A C 2.137 179.758 177.584 0.062 0.000 1.175 5344 A CA 1.776 53.843 52.037 0.050 0.000 0.628 5344 A CB -0.913 18.115 19.000 0.047 0.000 0.814 5344 A HN 0.766 nan 8.150 nan 0.000 0.444 5345 H N 0.014 119.087 119.070 0.004 0.000 2.299 5345 H HA -0.047 4.509 4.556 0.000 0.000 0.302 5345 H C 2.330 177.661 175.328 0.004 0.000 1.078 5345 H CA 1.772 57.823 56.048 0.005 0.000 1.323 5345 H CB -0.283 29.482 29.762 0.005 0.000 1.381 5345 H HN 0.390 nan 8.280 nan 0.000 0.498 5346 A N 0.013 122.901 122.820 0.113 0.000 1.940 5346 A HA -0.178 4.142 4.320 0.000 0.000 0.219 5346 A C 2.776 180.346 177.584 -0.023 0.000 1.176 5346 A CA 2.100 54.169 52.037 0.052 0.000 0.631 5346 A CB -0.826 18.224 19.000 0.083 0.000 0.814 5346 A HN 0.518 nan 8.150 nan 0.000 0.446 5347 S N -0.655 115.035 115.700 -0.017 0.000 2.341 5347 S HA -0.068 4.402 4.470 0.000 0.000 0.216 5347 S C 1.861 176.433 174.600 -0.047 0.000 1.034 5347 S CA 0.966 59.152 58.200 -0.023 0.000 0.964 5347 S CB -0.386 62.811 63.200 -0.006 0.000 0.882 5347 S HN 0.639 nan 8.310 nan 0.000 0.469 5348 N N 0.983 119.651 118.700 -0.054 0.000 2.416 5348 N HA 0.214 4.954 4.740 0.000 0.000 0.177 5348 N C 1.043 176.494 175.510 -0.098 0.000 1.036 5348 N CA 0.942 53.958 53.050 -0.058 0.000 0.901 5348 N CB 0.462 38.929 38.487 -0.033 0.000 0.976 5348 N HN 0.595 nan 8.380 nan 0.000 0.444 5349 G N 0.649 109.336 108.800 -0.189 0.000 2.352 5349 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 5349 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 5349 G C -0.113 174.548 174.900 -0.399 0.000 1.249 5349 G CA -0.191 44.755 45.100 -0.258 0.000 1.053 5349 G HN 0.242 nan 8.290 nan 0.000 0.492 5350 N N -0.274 118.281 118.700 -0.242 0.000 2.368 5350 N HA 0.095 4.835 4.740 0.000 0.000 0.176 5350 N C 1.616 177.143 175.510 0.029 0.000 1.021 5350 N CA 0.913 53.909 53.050 -0.090 0.000 0.888 5350 N CB 0.108 38.598 38.487 0.005 0.000 0.995 5350 N HN 0.281 nan 8.380 nan 0.000 0.437 5351 K N -0.208 120.189 120.400 -0.005 0.000 2.374 5351 K HA 0.271 4.591 4.320 0.000 0.000 0.196 5351 K C -0.646 175.963 176.600 0.015 0.000 1.023 5351 K CA 0.147 56.444 56.287 0.015 0.000 1.103 5351 K CB 0.546 33.049 32.500 0.005 0.000 0.848 5351 K HN 0.115 nan 8.250 nan 0.000 0.528 5352 C N 1.002 120.303 119.300 0.001 0.000 3.094 5352 C HA 0.816 5.277 4.460 0.000 0.000 0.262 5352 C C 0.350 175.357 174.990 0.027 0.000 1.459 5352 C CA -0.723 58.297 59.018 0.003 0.000 1.570 5352 C CB -1.224 26.501 27.740 -0.024 0.000 2.056 5352 C HN 0.467 nan 8.230 nan 0.000 0.499 5353 A N 0.475 123.334 122.820 0.064 0.000 5.650 5353 A HA 0.952 5.272 4.320 0.000 0.000 0.194 5353 A C 0.231 177.860 177.584 0.075 0.000 0.895 5353 A CA 0.396 52.487 52.037 0.091 0.000 0.804 5353 A CB -0.452 18.655 19.000 0.178 0.000 2.103 5353 A HN 2.020 nan 8.150 nan 0.000 1.022 5354 G N -1.921 106.922 108.800 0.071 0.000 2.888 5354 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 5354 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 5354 G C -0.832 174.088 174.900 0.033 0.000 1.461 5354 G CA -0.069 45.055 45.100 0.041 0.000 0.897 5354 G HN 1.440 nan 8.290 nan 0.000 0.547 5355 L N 0.508 121.743 121.223 0.020 0.000 2.292 5355 L HA 0.497 4.837 4.340 0.000 0.000 0.284 5355 L C 0.578 177.464 176.870 0.027 0.000 1.065 5355 L CA -0.455 54.393 54.840 0.013 0.000 0.806 5355 L CB 1.612 43.665 42.059 -0.010 0.000 1.175 5355 L HN 0.626 nan 8.230 nan 0.000 0.431 5356 N N 1.204 119.928 118.700 0.040 0.000 2.699 5356 N HA 0.211 4.951 4.740 0.000 0.000 0.232 5356 N C 0.843 176.378 175.510 0.042 0.000 1.027 5356 N CA -0.359 52.739 53.050 0.080 0.000 0.920 5356 N CB 0.961 39.511 38.487 0.105 0.000 1.148 5356 N HN 0.446 nan 8.380 nan 0.000 0.509 5357 V N 0.781 120.666 119.914 -0.048 0.000 2.913 5357 V HA -0.033 4.087 4.120 0.000 0.000 0.260 5357 V C 1.439 177.425 176.094 -0.181 0.000 1.098 5357 V CA 1.228 63.436 62.300 -0.153 0.000 1.121 5357 V CB -1.200 30.464 31.823 -0.265 0.000 0.714 5357 V HN 0.409 nan 8.190 nan 0.000 0.487 5358 F N 2.505 122.456 119.950 0.001 0.000 2.206 5358 F HA -0.055 4.472 4.527 0.000 0.000 0.298 5358 F C 2.728 178.529 175.800 0.002 0.000 1.090 5358 F CA 1.863 59.864 58.000 0.002 0.000 1.323 5358 F CB -0.386 38.616 39.000 0.002 0.000 1.028 5358 F HN 0.366 nan 8.300 nan 0.000 0.492 5359 T N -3.771 110.890 114.554 0.179 0.000 3.022 5359 T HA 0.363 4.713 4.350 0.000 0.000 0.250 5359 T C 1.437 176.169 174.700 0.052 0.000 1.060 5359 T CA 0.421 62.579 62.100 0.096 0.000 1.013 5359 T CB 0.271 69.186 68.868 0.079 0.000 0.982 5359 T HN 0.376 nan 8.240 nan 0.000 0.508 5360 G N 1.057 109.879 108.800 0.037 0.000 2.291 5360 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 5360 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 5360 G C 0.036 174.943 174.900 0.012 0.000 1.099 5360 G CA -0.230 44.875 45.100 0.008 0.000 0.919 5360 G HN 1.393 nan 8.290 nan 0.000 0.496 5361 A N -1.508 121.324 122.820 0.020 0.000 2.601 5361 A HA 0.903 5.223 4.320 0.000 0.000 0.291 5361 A C 0.036 177.635 177.584 0.024 0.000 1.075 5361 A CA 0.110 52.159 52.037 0.020 0.000 0.671 5361 A CB 1.398 20.412 19.000 0.023 0.000 1.277 5361 A HN 1.818 nan 8.150 nan 0.000 0.417 5362 V N 1.419 121.346 119.914 0.022 0.000 2.673 5362 V HA 0.451 4.571 4.120 0.000 0.000 0.303 5362 V C -0.041 176.072 176.094 0.032 0.000 1.046 5362 V CA 0.935 63.252 62.300 0.027 0.000 1.126 5362 V CB 0.516 32.355 31.823 0.026 0.000 0.934 5362 V HN 0.908 nan 8.190 nan 0.000 0.487 5363 E N 3.613 123.835 120.200 0.037 0.000 2.350 5363 E HA 0.448 4.798 4.350 0.000 0.000 0.243 5363 E C -1.649 174.973 176.600 0.037 0.000 0.959 5363 E CA -0.716 55.706 56.400 0.037 0.000 0.883 5363 E CB 0.865 30.591 29.700 0.044 0.000 1.820 5363 E HN 0.659 nan 8.360 nan 0.000 0.441 5364 D N 1.404 121.824 120.400 0.033 0.000 2.427 5364 D HA 0.234 4.874 4.640 0.000 0.000 0.226 5364 D C 1.086 177.407 176.300 0.035 0.000 1.076 5364 D CA -0.304 53.715 54.000 0.030 0.000 0.849 5364 D CB 1.020 41.832 40.800 0.019 0.000 1.052 5364 D HN 0.162 nan 8.370 nan 0.000 0.515 5365 M N 0.387 120.012 119.600 0.043 0.000 2.099 5365 M HA -0.123 4.357 4.480 0.000 0.000 0.262 5365 M C 2.285 178.607 176.300 0.036 0.000 1.067 5365 M CA 0.884 56.212 55.300 0.047 0.000 1.124 5365 M CB -0.826 31.804 32.600 0.051 0.000 1.353 5365 M HN 0.502 nan 8.290 nan 0.000 0.410 5366 C N 0.700 120.018 119.300 0.031 0.000 2.429 5366 C HA -0.162 4.298 4.460 0.000 0.000 0.277 5366 C C 2.707 177.706 174.990 0.015 0.000 1.262 5366 C CA 1.345 60.376 59.018 0.022 0.000 1.733 5366 C CB -0.929 26.823 27.740 0.020 0.000 2.010 5366 C HN 0.633 nan 8.230 nan 0.000 0.483 5367 E N 0.130 120.338 120.200 0.014 0.000 2.118 5367 E HA -0.202 4.148 4.350 0.000 0.000 0.195 5367 E C 1.206 177.810 176.600 0.005 0.000 0.992 5367 E CA 1.354 57.759 56.400 0.008 0.000 0.804 5367 E CB -0.144 29.560 29.700 0.008 0.000 0.741 5367 E HN 0.630 nan 8.360 nan 0.000 0.458 5368 N N -0.527 118.180 118.700 0.011 0.000 2.398 5368 N HA 0.041 4.781 4.740 0.000 0.000 0.188 5368 N C 0.591 176.099 175.510 -0.002 0.000 1.122 5368 N CA 0.910 53.963 53.050 0.003 0.000 0.866 5368 N CB 0.945 39.441 38.487 0.015 0.000 0.970 5368 N HN 0.320 nan 8.380 nan 0.000 0.462 5369 G N 0.152 108.955 108.800 0.005 0.000 2.160 5369 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 5369 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 5369 G C -0.076 174.834 174.900 0.017 0.000 1.008 5369 G CA 0.150 45.253 45.100 0.005 0.000 0.724 5369 G HN 0.196 nan 8.290 nan 0.000 0.514 5370 V N 1.377 121.311 119.914 0.034 0.000 2.222 5370 V HA 0.482 4.602 4.120 0.000 0.000 0.253 5370 V C 0.789 176.912 176.094 0.047 0.000 1.210 5370 V CA 0.111 62.445 62.300 0.058 0.000 1.079 5370 V CB 0.494 32.370 31.823 0.088 0.000 1.265 5370 V HN 1.022 nan 8.190 nan 0.000 0.494 5371 V N 1.233 121.170 119.914 0.038 0.000 2.876 5371 V HA 0.795 4.915 4.120 0.000 0.000 0.312 5371 V C -0.703 175.409 176.094 0.029 0.000 1.085 5371 V CA -0.819 61.499 62.300 0.031 0.000 0.945 5371 V CB 2.484 34.321 31.823 0.023 0.000 1.017 5371 V HN 0.625 nan 8.190 nan 0.000 0.428 5372 E N 2.856 123.071 120.200 0.025 0.000 2.317 5372 E HA 0.532 4.882 4.350 0.000 0.000 0.270 5372 E C -2.972 173.639 176.600 0.018 0.000 0.885 5372 E CA -2.264 54.149 56.400 0.022 0.000 0.760 5372 E CB 2.745 32.458 29.700 0.021 0.000 1.227 5372 E HN 0.550 nan 8.360 nan 0.000 0.434 5373 P HA -0.098 nan 4.420 nan 0.000 0.266 5373 P C 0.507 177.815 177.300 0.014 0.000 1.193 5373 P CA -0.099 63.009 63.100 0.014 0.000 0.770 5373 P CB 0.529 32.236 31.700 0.013 0.000 0.836 5374 L N 4.074 125.306 121.223 0.014 0.000 2.042 5374 L HA -0.172 4.168 4.340 0.000 0.000 0.210 5374 L C 2.345 179.223 176.870 0.014 0.000 1.076 5374 L CA 1.868 56.716 54.840 0.014 0.000 0.749 5374 L CB -0.839 41.227 42.059 0.013 0.000 0.893 5374 L HN 0.308 nan 8.230 nan 0.000 0.432 5375 R N -0.967 119.541 120.500 0.013 0.000 2.127 5375 R HA -0.150 4.190 4.340 0.000 0.000 0.238 5375 R C 2.045 178.354 176.300 0.014 0.000 1.134 5375 R CA 1.791 57.899 56.100 0.013 0.000 0.975 5375 R CB -0.299 30.008 30.300 0.012 0.000 0.865 5375 R HN 0.395 nan 8.270 nan 0.000 0.447 5376 V N 1.441 121.363 119.914 0.014 0.000 2.255 5376 V HA -0.275 3.845 4.120 0.000 0.000 0.247 5376 V C 2.285 178.388 176.094 0.014 0.000 1.051 5376 V CA 1.876 64.184 62.300 0.013 0.000 1.018 5376 V CB -0.358 31.473 31.823 0.013 0.000 0.641 5376 V HN 0.292 nan 8.190 nan 0.000 0.445 5377 K N -0.391 120.018 120.400 0.015 0.000 2.167 5377 K HA -0.008 4.312 4.320 0.000 0.000 0.203 5377 K C 2.176 178.790 176.600 0.023 0.000 1.052 5377 K CA 1.292 57.589 56.287 0.016 0.000 0.956 5377 K CB -0.656 31.853 32.500 0.015 0.000 0.735 5377 K HN 0.494 nan 8.250 nan 0.000 0.451 5378 T N 1.372 115.940 114.554 0.023 0.000 2.812 5378 T HA -0.133 4.217 4.350 0.000 0.000 0.264 5378 T C 1.911 176.630 174.700 0.031 0.000 1.042 5378 T CA 1.289 63.405 62.100 0.028 0.000 1.140 5378 T CB -0.033 68.848 68.868 0.022 0.000 0.870 5378 T HN 0.121 nan 8.240 nan 0.000 0.445 5379 Q N 1.322 121.137 119.800 0.025 0.000 2.123 5379 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 5379 Q C 2.248 178.264 176.000 0.028 0.000 0.966 5379 Q CA 1.521 57.339 55.803 0.025 0.000 0.845 5379 Q CB -0.668 28.081 28.738 0.019 0.000 0.907 5379 Q HN 0.471 nan 8.270 nan 0.000 0.439 5380 A N 0.524 123.358 122.820 0.024 0.000 1.883 5380 A HA -0.156 4.165 4.320 0.000 0.000 0.217 5380 A C 1.939 179.541 177.584 0.030 0.000 1.186 5380 A CA 1.593 53.642 52.037 0.020 0.000 0.624 5380 A CB -0.679 18.327 19.000 0.011 0.000 0.822 5380 A HN 0.444 nan 8.150 nan 0.000 0.444 5381 I N -0.372 120.225 120.570 0.044 0.000 2.252 5381 I HA -0.177 3.993 4.170 0.000 0.000 0.245 5381 I C 2.661 178.839 176.117 0.101 0.000 1.102 5381 I CA 1.160 62.508 61.300 0.081 0.000 1.385 5381 I CB -1.430 36.632 38.000 0.103 0.000 1.064 5381 I HN 0.361 nan 8.210 nan 0.000 0.414 5382 Q N 0.704 120.548 119.800 0.074 0.000 2.002 5382 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 5382 Q C 2.505 178.546 176.000 0.067 0.000 0.988 5382 Q CA 1.883 57.727 55.803 0.069 0.000 0.843 5382 Q CB -0.551 28.215 28.738 0.047 0.000 0.908 5382 Q HN 0.387 nan 8.270 nan 0.000 0.420 5383 S N 0.820 116.551 115.700 0.051 0.000 2.356 5383 S HA -0.132 4.338 4.470 0.000 0.000 0.223 5383 S C 1.944 176.576 174.600 0.052 0.000 1.032 5383 S CA 1.150 59.377 58.200 0.044 0.000 1.005 5383 S CB -0.276 62.942 63.200 0.031 0.000 0.867 5383 S HN 0.517 nan 8.310 nan 0.000 0.449 5384 A N 1.398 124.250 122.820 0.054 0.000 1.873 5384 A HA 0.165 4.485 4.320 0.000 0.000 0.215 5384 A C 2.332 179.973 177.584 0.095 0.000 1.186 5384 A CA 1.708 53.775 52.037 0.051 0.000 0.616 5384 A CB -1.072 17.941 19.000 0.023 0.000 0.823 5384 A HN 0.515 nan 8.150 nan 0.000 0.442 5385 A N -0.691 122.221 122.820 0.154 0.000 1.898 5385 A HA -0.026 4.294 4.320 0.000 0.000 0.214 5385 A C 1.961 179.675 177.584 0.216 0.000 1.183 5385 A CA 1.913 54.122 52.037 0.288 0.000 0.622 5385 A CB -0.394 18.874 19.000 0.446 0.000 0.824 5385 A HN 0.489 nan 8.150 nan 0.000 0.444 5386 E N 0.067 120.351 120.200 0.139 0.000 2.150 5386 E HA -0.112 4.238 4.350 0.000 0.000 0.193 5386 E C 2.134 178.779 176.600 0.074 0.000 0.985 5386 E CA 1.355 57.813 56.400 0.096 0.000 0.814 5386 E CB -0.328 29.414 29.700 0.069 0.000 0.752 5386 E HN 0.459 nan 8.360 nan 0.000 0.466 5387 S N -1.304 114.437 115.700 0.068 0.000 2.368 5387 S HA -0.131 4.339 4.470 0.000 0.000 0.224 5387 S C 1.898 176.522 174.600 0.041 0.000 1.029 5387 S CA 1.760 59.988 58.200 0.047 0.000 0.988 5387 S CB -0.539 62.684 63.200 0.039 0.000 0.838 5387 S HN 0.421 nan 8.310 nan 0.000 0.462 5388 T N 1.831 116.423 114.554 0.063 0.000 2.674 5388 T HA -0.082 4.268 4.350 0.000 0.000 0.265 5388 T C 1.841 176.542 174.700 0.003 0.000 1.039 5388 T CA 1.400 63.523 62.100 0.039 0.000 1.150 5388 T CB -0.490 68.447 68.868 0.115 0.000 0.864 5388 T HN 0.426 nan 8.240 nan 0.000 0.427 5389 E N 0.798 121.039 120.200 0.068 0.000 2.204 5389 E HA -0.122 4.228 4.350 0.000 0.000 0.195 5389 E C 2.117 178.727 176.600 0.017 0.000 0.990 5389 E CA 0.825 57.254 56.400 0.047 0.000 0.821 5389 E CB -0.236 29.528 29.700 0.108 0.000 0.750 5389 E HN 0.502 nan 8.360 nan 0.000 0.477 5390 M N -0.174 119.441 119.600 0.024 0.000 2.099 5390 M HA -0.176 4.304 4.480 0.000 0.000 0.262 5390 M C 1.877 178.178 176.300 0.001 0.000 1.067 5390 M CA 1.057 56.366 55.300 0.016 0.000 1.124 5390 M CB 0.009 32.623 32.600 0.022 0.000 1.353 5390 M HN 0.097 nan 8.290 nan 0.000 0.410 5391 L N 0.757 121.977 121.223 -0.005 0.000 2.201 5391 L HA -0.102 4.238 4.340 0.000 0.000 0.212 5391 L C 2.148 178.997 176.870 -0.035 0.000 1.105 5391 L CA 1.495 56.327 54.840 -0.013 0.000 0.775 5391 L CB -1.066 40.985 42.059 -0.014 0.000 0.913 5391 L HN 0.388 nan 8.230 nan 0.000 0.440 5392 L N -1.269 119.917 121.223 -0.063 0.000 2.265 5392 L HA -0.190 4.150 4.340 0.000 0.000 0.215 5392 L C 2.500 179.339 176.870 -0.052 0.000 1.117 5392 L CA 0.845 55.630 54.840 -0.091 0.000 0.782 5392 L CB -0.359 41.607 42.059 -0.155 0.000 0.914 5392 L HN 0.233 nan 8.230 nan 0.000 0.441 5393 R N -0.369 120.115 120.500 -0.026 0.000 2.153 5393 R HA 0.013 4.353 4.340 0.000 0.000 0.218 5393 R C 0.183 176.480 176.300 -0.005 0.000 1.072 5393 R CA 0.370 56.466 56.100 -0.007 0.000 0.990 5393 R CB -0.050 30.253 30.300 0.004 0.000 0.889 5393 R HN 0.123 nan 8.270 nan 0.000 0.452 5394 I N 1.424 121.990 120.570 -0.006 0.000 2.396 5394 I HA -0.036 4.134 4.170 0.000 0.000 0.289 5394 I C 0.470 176.586 176.117 -0.001 0.000 1.056 5394 I CA 0.510 61.811 61.300 0.002 0.000 1.365 5394 I CB 1.157 39.162 38.000 0.009 0.000 1.407 5394 I HN -0.102 nan 8.210 nan 0.000 0.509 5395 D N 3.543 123.945 120.400 0.003 0.000 2.535 5395 D HA 0.138 4.778 4.640 0.000 0.000 0.229 5395 D C -0.910 175.399 176.300 0.015 0.000 1.238 5395 D CA 0.144 54.145 54.000 0.003 0.000 0.824 5395 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 5395 D HN 0.446 nan 8.370 nan 0.000 0.500 5396 D N -0.258 120.153 120.400 0.019 0.000 2.931 5396 D HA 0.207 4.847 4.640 0.000 0.000 0.215 5396 D C -1.480 174.831 176.300 0.017 0.000 1.297 5396 D CA -0.438 53.575 54.000 0.021 0.000 0.892 5396 D CB 1.884 42.692 40.800 0.014 0.000 1.642 5396 D HN -0.256 nan 8.370 nan 0.000 0.560 5397 V N 4.981 124.907 119.914 0.019 0.000 2.378 5397 V HA 0.527 4.647 4.120 0.000 0.000 0.288 5397 V C 0.138 176.225 176.094 -0.011 0.000 1.016 5397 V CA -0.547 61.753 62.300 -0.002 0.000 0.840 5397 V CB 1.370 33.185 31.823 -0.013 0.000 0.994 5397 V HN 0.489 nan 8.190 nan 0.000 0.431 5398 I N 4.518 125.078 120.570 -0.018 0.000 2.411 5398 I HA 0.688 4.858 4.170 0.000 0.000 0.284 5398 I C 0.238 176.339 176.117 -0.027 0.000 1.012 5398 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 5398 I CB 1.744 39.738 38.000 -0.011 0.000 1.261 5398 I HN 0.647 nan 8.210 nan 0.000 0.448 5399 A N 5.117 127.918 122.820 -0.032 0.000 2.304 5399 A HA 0.861 5.181 4.320 0.000 0.000 0.323 5399 A C 0.161 177.731 177.584 -0.024 0.000 1.195 5399 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 5399 A CB 1.067 20.037 19.000 -0.049 0.000 1.184 5399 A HN 0.775 nan 8.150 nan 0.000 0.496 5400 A N 2.395 125.203 122.820 -0.020 0.000 2.386 5400 A HA 0.476 4.796 4.320 0.000 0.000 0.248 5400 A C 0.454 178.029 177.584 -0.015 0.000 1.082 5400 A CA -0.196 51.832 52.037 -0.015 0.000 0.789 5400 A CB 0.010 19.002 19.000 -0.012 0.000 1.025 5400 A HN 0.875 nan 8.150 nan 0.000 0.490 5401 E N 0.000 120.193 120.200 -0.012 0.000 2.725 5401 E HA 0.000 4.350 4.350 0.000 0.000 0.291 5401 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 5401 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 5401 E HN 0.000 nan 8.360 nan 0.000 0.440