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_C DATA FIRST_RESID 983 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 983 V HA 0.000 nan 4.120 nan 0.000 0.244 983 V C 0.000 176.086 176.094 -0.014 0.000 1.182 983 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 983 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 984 L N 2.894 124.107 121.223 -0.017 0.000 2.307 984 L HA 0.564 4.904 4.340 0.000 0.000 0.282 984 L C -2.217 174.641 176.870 -0.020 0.000 1.051 984 L CA -1.514 53.315 54.840 -0.020 0.000 0.804 984 L CB 0.750 42.794 42.059 -0.025 0.000 1.197 984 L HN 0.163 nan 8.230 nan 0.000 0.431 985 P HA 0.100 nan 4.420 nan 0.000 0.268 985 P C -0.737 176.550 177.300 -0.021 0.000 1.204 985 P CA -0.231 62.858 63.100 -0.017 0.000 0.768 985 P CB 0.444 32.135 31.700 -0.015 0.000 0.842 986 E N 2.209 122.398 120.200 -0.019 0.000 2.360 986 E HA 0.049 4.399 4.350 0.000 0.000 0.269 986 E C 0.565 177.155 176.600 -0.018 0.000 1.022 986 E CA 0.124 56.511 56.400 -0.021 0.000 0.887 986 E CB 0.290 29.980 29.700 -0.018 0.000 0.990 986 E HN 0.515 nan 8.360 nan 0.000 0.426 987 N N 1.051 119.740 118.700 -0.019 0.000 2.993 987 N HA -0.147 4.593 4.740 0.000 0.000 0.171 987 N C -0.738 174.766 175.510 -0.010 0.000 1.446 987 N CA 0.702 53.745 53.050 -0.011 0.000 1.542 987 N CB -0.481 38.001 38.487 -0.007 0.000 1.042 987 N HN 0.321 nan 8.380 nan 0.000 0.638 988 M N 1.524 121.114 119.600 -0.016 0.000 2.250 988 M HA 0.298 4.778 4.480 0.000 0.000 0.344 988 M C -0.001 176.279 176.300 -0.032 0.000 1.150 988 M CA 0.333 55.624 55.300 -0.015 0.000 1.147 988 M CB 0.906 33.495 32.600 -0.018 0.000 1.498 988 M HN 0.045 nan 8.290 nan 0.000 0.461 989 K N 1.891 122.280 120.400 -0.018 0.000 2.244 989 K HA 0.584 4.904 4.320 0.000 0.000 0.260 989 K C -0.498 176.052 176.600 -0.083 0.000 0.951 989 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 989 K CB 2.405 34.932 32.500 0.044 0.000 1.108 989 K HN 0.529 nan 8.250 nan 0.000 0.433 990 R N 3.121 123.470 120.500 -0.251 0.000 2.538 990 R HA 0.321 4.661 4.340 0.000 0.000 0.292 990 R C -1.606 174.493 176.300 -0.336 0.000 1.008 990 R CA -0.511 55.490 56.100 -0.164 0.000 0.896 990 R CB 0.883 31.131 30.300 -0.087 0.000 1.187 990 R HN 0.550 nan 8.270 nan 0.000 0.440 991 Y N 3.284 123.588 120.300 0.006 0.000 2.562 991 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 991 Y C 0.231 176.132 175.900 0.001 0.000 1.025 991 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 991 Y CB 2.437 40.902 38.460 0.008 0.000 1.264 991 Y HN 0.307 nan 8.280 nan 0.000 0.478 992 M N 0.543 120.234 119.600 0.152 0.000 2.619 992 M HA 0.584 5.064 4.480 0.000 0.000 0.297 992 M C 0.458 176.794 176.300 0.059 0.000 1.229 992 M CA -0.334 55.012 55.300 0.076 0.000 0.860 992 M CB 2.471 35.094 32.600 0.039 0.000 1.741 992 M HN 0.889 nan 8.290 nan 0.000 0.462 993 G N 2.015 110.831 108.800 0.026 0.000 2.556 993 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 993 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 993 G C 0.506 175.400 174.900 -0.010 0.000 1.177 993 G CA 0.793 45.892 45.100 -0.001 0.000 0.978 993 G HN 0.989 nan 8.290 nan 0.000 0.554 994 R N 0.510 121.002 120.500 -0.014 0.000 2.237 994 R HA 0.063 4.403 4.340 0.000 0.000 0.219 994 R C 1.554 177.841 176.300 -0.021 0.000 1.080 994 R CA 2.068 58.153 56.100 -0.025 0.000 0.995 994 R CB -0.269 30.016 30.300 -0.024 0.000 0.875 994 R HN 0.495 nan 8.270 nan 0.000 0.462 995 D N 1.435 121.843 120.400 0.014 0.000 2.183 995 D HA 0.007 4.647 4.640 0.000 0.000 0.205 995 D C 1.960 178.248 176.300 -0.020 0.000 0.962 995 D CA 1.351 55.358 54.000 0.013 0.000 0.849 995 D CB -0.012 40.884 40.800 0.160 0.000 0.978 995 D HN 0.392 nan 8.370 nan 0.000 0.488 996 A N 1.158 124.018 122.820 0.067 0.000 1.902 996 A HA -0.183 4.137 4.320 0.000 0.000 0.217 996 A C 2.141 179.723 177.584 -0.003 0.000 1.181 996 A CA 1.201 53.281 52.037 0.073 0.000 0.623 996 A CB -0.285 18.763 19.000 0.080 0.000 0.818 996 A HN 0.052 nan 8.150 nan 0.000 0.443 997 Q N -0.721 119.063 119.800 -0.027 0.000 2.123 997 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 997 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 997 Q CA 1.450 57.224 55.803 -0.050 0.000 0.845 997 Q CB -0.399 28.305 28.738 -0.056 0.000 0.907 997 Q HN 0.769 nan 8.270 nan 0.000 0.439 998 R N -0.096 120.347 120.500 -0.094 0.000 2.070 998 R HA -0.081 4.259 4.340 0.000 0.000 0.233 998 R C 2.167 178.372 176.300 -0.158 0.000 1.137 998 R CA 1.306 57.336 56.100 -0.117 0.000 0.945 998 R CB 0.029 30.260 30.300 -0.115 0.000 0.845 998 R HN 0.132 nan 8.270 nan 0.000 0.430 999 M N 0.818 120.288 119.600 -0.217 0.000 2.132 999 M HA -0.105 4.375 4.480 0.000 0.000 0.263 999 M C 1.731 177.907 176.300 -0.208 0.000 1.065 999 M CA 1.449 56.596 55.300 -0.255 0.000 1.122 999 M CB -1.134 31.210 32.600 -0.426 0.000 1.365 999 M HN 0.165 nan 8.290 nan 0.000 0.411 1000 N N 0.660 119.280 118.700 -0.133 0.000 2.216 1000 N HA 0.002 4.742 4.740 0.000 0.000 0.183 1000 N C 1.850 177.221 175.510 -0.232 0.000 1.017 1000 N CA 1.101 54.065 53.050 -0.143 0.000 0.861 1000 N CB -0.259 38.272 38.487 0.073 0.000 0.986 1000 N HN 0.364 nan 8.380 nan 0.000 0.428 1001 I N 0.318 120.799 120.570 -0.148 0.000 2.252 1001 I HA -0.201 3.969 4.170 0.000 0.000 0.245 1001 I C 1.660 177.688 176.117 -0.148 0.000 1.102 1001 I CA 0.549 61.773 61.300 -0.126 0.000 1.385 1001 I CB -0.092 37.850 38.000 -0.096 0.000 1.064 1001 I HN 0.020 nan 8.210 nan 0.000 0.414 1002 L N 0.854 121.980 121.223 -0.162 0.000 2.127 1002 L HA -0.194 4.146 4.340 0.000 0.000 0.211 1002 L C 2.679 179.449 176.870 -0.166 0.000 1.089 1002 L CA 1.980 56.734 54.840 -0.144 0.000 0.757 1002 L CB -1.247 40.729 42.059 -0.137 0.000 0.899 1002 L HN 0.211 nan 8.230 nan 0.000 0.434 1003 A N -0.666 121.994 122.820 -0.268 0.000 1.908 1003 A HA -0.140 4.180 4.320 0.000 0.000 0.218 1003 A C 2.435 179.918 177.584 -0.168 0.000 1.181 1003 A CA 1.790 53.654 52.037 -0.290 0.000 0.627 1003 A CB -1.291 17.300 19.000 -0.681 0.000 0.818 1003 A HN 0.441 nan 8.150 nan 0.000 0.445 1004 G N -0.942 107.766 108.800 -0.154 0.000 2.402 1004 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 1004 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 1004 G C 1.727 176.589 174.900 -0.064 0.000 1.162 1004 G CA 0.861 45.913 45.100 -0.081 0.000 0.777 1004 G HN 0.451 nan 8.290 nan 0.000 0.539 1005 R N 0.503 120.959 120.500 -0.074 0.000 2.105 1005 R HA -0.025 4.315 4.340 0.000 0.000 0.239 1005 R C 2.511 178.780 176.300 -0.052 0.000 1.135 1005 R CA 1.122 57.188 56.100 -0.058 0.000 0.967 1005 R CB -0.476 29.788 30.300 -0.060 0.000 0.861 1005 R HN 0.456 nan 8.270 nan 0.000 0.442 1006 I N 0.815 121.349 120.570 -0.059 0.000 2.226 1006 I HA -0.307 3.863 4.170 0.000 0.000 0.245 1006 I C 2.215 178.311 176.117 -0.035 0.000 1.100 1006 I CA 0.846 62.118 61.300 -0.047 0.000 1.374 1006 I CB -0.230 37.740 38.000 -0.050 0.000 1.057 1006 I HN 0.114 nan 8.210 nan 0.000 0.413 1007 I N 1.028 121.578 120.570 -0.034 0.000 2.226 1007 I HA -0.255 3.915 4.170 0.000 0.000 0.245 1007 I C 2.850 178.954 176.117 -0.022 0.000 1.100 1007 I CA 1.693 62.979 61.300 -0.023 0.000 1.374 1007 I CB -1.559 36.431 38.000 -0.018 0.000 1.057 1007 I HN 0.184 nan 8.210 nan 0.000 0.413 1008 A N 0.452 123.256 122.820 -0.027 0.000 1.902 1008 A HA -0.197 4.123 4.320 0.000 0.000 0.217 1008 A C 2.231 179.799 177.584 -0.027 0.000 1.181 1008 A CA 1.445 53.466 52.037 -0.027 0.000 0.623 1008 A CB -0.609 18.372 19.000 -0.031 0.000 0.818 1008 A HN 0.470 nan 8.150 nan 0.000 0.443 1009 E N -0.897 119.287 120.200 -0.028 0.000 2.204 1009 E HA -0.106 4.244 4.350 0.000 0.000 0.194 1009 E C 1.947 178.533 176.600 -0.023 0.000 0.989 1009 E CA 1.399 57.783 56.400 -0.027 0.000 0.824 1009 E CB -0.186 29.497 29.700 -0.028 0.000 0.756 1009 E HN 0.629 nan 8.360 nan 0.000 0.477 1010 T N 0.693 115.235 114.554 -0.021 0.000 2.698 1010 T HA -0.113 4.237 4.350 0.000 0.000 0.260 1010 T C 2.174 176.864 174.700 -0.016 0.000 1.044 1010 T CA 1.544 63.634 62.100 -0.017 0.000 1.149 1010 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 1010 T HN 0.190 nan 8.240 nan 0.000 0.419 1011 V N 2.132 122.037 119.914 -0.016 0.000 3.129 1011 V HA 0.032 4.152 4.120 0.000 0.000 0.259 1011 V C 2.320 178.403 176.094 -0.019 0.000 1.116 1011 V CA 1.076 63.367 62.300 -0.015 0.000 1.127 1011 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 1011 V HN 0.477 nan 8.190 nan 0.000 0.474 1012 R N 2.772 123.259 120.500 -0.022 0.000 2.249 1012 R HA -0.134 4.206 4.340 0.000 0.000 0.230 1012 R C 2.015 178.299 176.300 -0.027 0.000 1.121 1012 R CA 1.778 57.862 56.100 -0.026 0.000 0.997 1012 R CB -1.208 29.075 30.300 -0.029 0.000 0.867 1012 R HN 0.706 nan 8.270 nan 0.000 0.465 1013 S N 0.293 115.979 115.700 -0.024 0.000 2.515 1013 S HA -0.083 4.387 4.470 0.000 0.000 0.231 1013 S C 1.732 176.317 174.600 -0.025 0.000 0.987 1013 S CA 0.864 59.049 58.200 -0.024 0.000 0.936 1013 S CB -0.056 63.132 63.200 -0.020 0.000 0.766 1013 S HN 0.588 nan 8.310 nan 0.000 0.528 1014 T N -0.687 113.854 114.554 -0.023 0.000 3.044 1014 T HA 0.390 4.740 4.350 0.000 0.000 0.250 1014 T C 0.512 175.196 174.700 -0.027 0.000 1.081 1014 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 1014 T CB -0.500 68.360 68.868 -0.014 0.000 0.962 1014 T HN 0.301 nan 8.240 nan 0.000 0.506 1015 L N 2.219 123.423 121.223 -0.032 0.000 2.456 1015 L HA 0.504 4.844 4.340 0.000 0.000 0.272 1015 L C 1.194 178.034 176.870 -0.051 0.000 1.189 1015 L CA 0.940 55.758 54.840 -0.036 0.000 0.846 1015 L CB -0.154 41.883 42.059 -0.037 0.000 1.111 1015 L HN 0.669 nan 8.230 nan 0.000 0.475 1016 G N 3.182 111.952 108.800 -0.050 0.000 2.663 1016 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 1016 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 1016 G C -2.403 172.440 174.900 -0.095 0.000 1.246 1016 G CA -0.729 44.326 45.100 -0.076 0.000 0.795 1016 G HN 0.472 nan 8.290 nan 0.000 0.627 1017 P HA -0.009 nan 4.420 nan 0.000 0.218 1017 P C 1.256 178.367 177.300 -0.315 0.000 1.148 1017 P CA 1.296 64.289 63.100 -0.178 0.000 0.822 1017 P CB 0.159 31.708 31.700 -0.252 0.000 0.784 1018 K N -0.330 119.843 120.400 -0.378 0.000 2.576 1018 K HA 0.293 4.613 4.320 0.000 0.000 0.209 1018 K C 0.958 177.470 176.600 -0.145 0.000 1.049 1018 K CA -0.126 55.993 56.287 -0.281 0.000 1.140 1018 K CB -0.023 32.276 32.500 -0.335 0.000 0.871 1018 K HN 0.057 nan 8.250 nan 0.000 0.479 1019 G N 0.847 109.582 108.800 -0.109 0.000 2.634 1019 G HA2 0.237 4.197 3.960 0.000 0.000 0.255 1019 G HA3 0.237 4.197 3.960 0.000 0.000 0.255 1019 G C 0.281 175.153 174.900 -0.046 0.000 1.205 1019 G CA -0.392 44.667 45.100 -0.067 0.000 0.884 1019 G HN -0.027 nan 8.290 nan 0.000 0.549 1020 M N -0.151 119.429 119.600 -0.034 0.000 2.679 1020 M HA 0.441 4.921 4.480 0.000 0.000 0.287 1020 M C -0.588 175.704 176.300 -0.013 0.000 1.202 1020 M CA -0.641 54.646 55.300 -0.022 0.000 0.911 1020 M CB 1.273 33.860 32.600 -0.021 0.000 1.556 1020 M HN 0.344 nan 8.290 nan 0.000 0.511 1021 D N 0.141 120.537 120.400 -0.007 0.000 2.449 1021 D HA 0.601 5.241 4.640 0.000 0.000 0.250 1021 D C -0.698 175.602 176.300 0.001 0.000 1.050 1021 D CA -0.418 53.583 54.000 0.000 0.000 1.024 1021 D CB 1.494 42.298 40.800 0.007 0.000 1.218 1021 D HN 0.263 nan 8.370 nan 0.000 0.566 1022 K N 0.133 120.536 120.400 0.006 0.000 2.385 1022 K HA 0.546 4.866 4.320 0.000 0.000 0.248 1022 K C -0.799 175.810 176.600 0.016 0.000 0.955 1022 K CA -0.814 55.477 56.287 0.007 0.000 0.816 1022 K CB 2.824 35.327 32.500 0.005 0.000 1.250 1022 K HN 0.276 nan 8.250 nan 0.000 0.434 1023 M N 3.501 123.109 119.600 0.015 0.000 2.078 1023 M HA 0.314 4.794 4.480 0.000 0.000 0.320 1023 M C -1.871 174.443 176.300 0.024 0.000 0.969 1023 M CA -0.959 54.355 55.300 0.025 0.000 0.929 1023 M CB 0.578 33.187 32.600 0.014 0.000 1.504 1023 M HN 0.396 nan 8.290 nan 0.000 0.419 1024 L N 5.472 126.714 121.223 0.032 0.000 2.322 1024 L HA 0.625 4.965 4.340 0.000 0.000 0.281 1024 L C -0.880 176.010 176.870 0.032 0.000 1.014 1024 L CA -0.450 54.405 54.840 0.025 0.000 0.815 1024 L CB 2.164 44.234 42.059 0.019 0.000 1.247 1024 L HN 0.434 nan 8.230 nan 0.000 0.421 1025 V N 2.795 122.724 119.914 0.026 0.000 2.378 1025 V HA 0.358 4.478 4.120 0.000 0.000 0.288 1025 V C -0.313 175.793 176.094 0.019 0.000 1.016 1025 V CA -0.974 61.343 62.300 0.028 0.000 0.840 1025 V CB 1.449 33.288 31.823 0.026 0.000 0.994 1025 V HN 0.841 nan 8.190 nan 0.000 0.431 1026 D N 3.485 123.896 120.400 0.017 0.000 2.398 1026 D HA 0.003 4.643 4.640 0.000 0.000 0.264 1026 D C 1.031 177.337 176.300 0.010 0.000 1.263 1026 D CA -0.220 53.787 54.000 0.011 0.000 1.037 1026 D CB 0.469 41.273 40.800 0.007 0.000 1.101 1026 D HN 0.570 nan 8.370 nan 0.000 0.551 1027 D N -0.850 119.554 120.400 0.007 0.000 2.348 1027 D HA -0.122 4.518 4.640 0.000 0.000 0.216 1027 D C 1.660 177.964 176.300 0.006 0.000 0.970 1027 D CA 0.501 54.505 54.000 0.006 0.000 0.889 1027 D CB -0.154 40.648 40.800 0.005 0.000 0.912 1027 D HN 0.380 nan 8.370 nan 0.000 0.524 1028 L N -0.849 120.378 121.223 0.007 0.000 2.554 1028 L HA 0.306 4.646 4.340 0.000 0.000 0.225 1028 L C 1.849 178.725 176.870 0.010 0.000 1.104 1028 L CA 0.542 55.386 54.840 0.006 0.000 0.866 1028 L CB 0.258 42.319 42.059 0.004 0.000 1.047 1028 L HN 0.298 nan 8.230 nan 0.000 0.468 1029 G N -0.368 108.440 108.800 0.013 0.000 2.218 1029 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 1029 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 1029 G C 0.116 175.034 174.900 0.029 0.000 0.994 1029 G CA -0.022 45.090 45.100 0.020 0.000 0.637 1029 G HN 0.313 nan 8.290 nan 0.000 0.505 1030 D N 1.034 121.448 120.400 0.022 0.000 2.455 1030 D HA 0.394 5.034 4.640 0.000 0.000 0.241 1030 D C 0.486 176.813 176.300 0.045 0.000 1.138 1030 D CA 0.269 54.283 54.000 0.024 0.000 0.877 1030 D CB 1.237 42.035 40.800 -0.003 0.000 1.187 1030 D HN 0.273 nan 8.370 nan 0.000 0.451 1031 V N 4.368 124.339 119.914 0.095 0.000 2.398 1031 V HA 0.351 4.471 4.120 0.000 0.000 0.286 1031 V C 0.139 176.326 176.094 0.154 0.000 1.026 1031 V CA -0.806 61.593 62.300 0.165 0.000 0.868 1031 V CB 1.705 33.690 31.823 0.270 0.000 0.982 1031 V HN 0.346 nan 8.190 nan 0.000 0.443 1032 V N 5.481 125.460 119.914 0.109 0.000 2.495 1032 V HA 0.465 4.585 4.120 0.000 0.000 0.298 1032 V C -0.251 175.906 176.094 0.105 0.000 1.031 1032 V CA -0.645 61.697 62.300 0.070 0.000 0.871 1032 V CB 2.145 33.981 31.823 0.022 0.000 0.988 1032 V HN 0.598 nan 8.190 nan 0.000 0.432 1033 V N 4.195 124.181 119.914 0.121 0.000 2.347 1033 V HA 0.689 4.809 4.120 0.000 0.000 0.280 1033 V C 0.141 176.265 176.094 0.051 0.000 1.021 1033 V CA 0.059 62.413 62.300 0.091 0.000 0.847 1033 V CB 1.378 33.270 31.823 0.115 0.000 0.990 1033 V HN 1.004 nan 8.190 nan 0.000 0.444 1034 T N 2.925 117.500 114.554 0.034 0.000 2.821 1034 T HA 0.327 4.677 4.350 0.000 0.000 0.306 1034 T C 0.232 174.941 174.700 0.015 0.000 1.313 1034 T CA -0.416 61.697 62.100 0.022 0.000 1.012 1034 T CB 1.992 70.869 68.868 0.016 0.000 1.298 1034 T HN 0.634 nan 8.240 nan 0.000 0.502 1035 N N 1.040 119.746 118.700 0.011 0.000 2.210 1035 N HA 0.093 4.833 4.740 0.000 0.000 0.203 1035 N C -0.789 174.723 175.510 0.004 0.000 1.175 1035 N CA -0.021 53.033 53.050 0.006 0.000 0.894 1035 N CB 0.493 38.984 38.487 0.006 0.000 1.041 1035 N HN 0.571 nan 8.380 nan 0.000 0.506 1036 D N 0.285 120.689 120.400 0.006 0.000 2.412 1036 D HA 0.148 4.788 4.640 0.000 0.000 0.257 1036 D C 1.386 177.688 176.300 0.003 0.000 1.217 1036 D CA 0.267 54.269 54.000 0.004 0.000 0.897 1036 D CB 1.079 41.882 40.800 0.005 0.000 1.132 1036 D HN 0.305 nan 8.370 nan 0.000 0.493 1037 G N 1.817 110.617 108.800 0.001 0.000 2.421 1037 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 1037 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 1037 G C 1.584 176.485 174.900 0.001 0.000 1.171 1037 G CA 0.361 45.461 45.100 -0.001 0.000 0.775 1037 G HN 0.471 nan 8.290 nan 0.000 0.543 1038 V N 0.853 120.768 119.914 0.002 0.000 2.490 1038 V HA -0.150 3.970 4.120 0.000 0.000 0.250 1038 V C 2.953 179.048 176.094 0.003 0.000 1.061 1038 V CA 2.900 65.202 62.300 0.003 0.000 1.064 1038 V CB -0.626 31.199 31.823 0.004 0.000 0.670 1038 V HN 0.414 nan 8.190 nan 0.000 0.461 1039 T N 0.823 115.379 114.554 0.003 0.000 2.812 1039 T HA -0.053 4.297 4.350 0.000 0.000 0.264 1039 T C 1.849 176.551 174.700 0.004 0.000 1.042 1039 T CA 1.621 63.723 62.100 0.003 0.000 1.140 1039 T CB -0.186 68.685 68.868 0.004 0.000 0.870 1039 T HN 0.331 nan 8.240 nan 0.000 0.445 1040 I N 0.970 121.543 120.570 0.004 0.000 2.179 1040 I HA -0.069 4.101 4.170 0.000 0.000 0.242 1040 I C 2.176 178.296 176.117 0.004 0.000 1.088 1040 I CA 1.223 62.526 61.300 0.004 0.000 1.357 1040 I CB -1.196 36.805 38.000 0.002 0.000 1.051 1040 I HN 0.214 nan 8.210 nan 0.000 0.409 1041 L N 0.170 121.395 121.223 0.004 0.000 2.179 1041 L HA -0.041 4.299 4.340 0.000 0.000 0.208 1041 L C 2.606 179.480 176.870 0.006 0.000 1.096 1041 L CA 1.336 56.179 54.840 0.005 0.000 0.779 1041 L CB -0.964 41.098 42.059 0.004 0.000 0.922 1041 L HN 0.179 nan 8.230 nan 0.000 0.443 1042 R N -0.131 120.372 120.500 0.005 0.000 2.066 1042 R HA -0.118 4.222 4.340 0.000 0.000 0.232 1042 R C 1.935 178.238 176.300 0.005 0.000 1.131 1042 R CA 1.342 57.445 56.100 0.005 0.000 0.955 1042 R CB 0.032 30.335 30.300 0.004 0.000 0.851 1042 R HN 0.355 nan 8.270 nan 0.000 0.432 1043 E N 0.923 121.127 120.200 0.005 0.000 2.076 1043 E HA -0.063 4.287 4.350 0.000 0.000 0.190 1043 E C 1.257 177.861 176.600 0.007 0.000 0.979 1043 E CA 0.513 56.917 56.400 0.006 0.000 0.807 1043 E CB -0.255 29.448 29.700 0.006 0.000 0.761 1043 E HN 0.435 nan 8.360 nan 0.000 0.454 1044 M N -0.096 119.508 119.600 0.007 0.000 2.219 1044 M HA 0.069 4.549 4.480 0.000 0.000 0.307 1044 M C 0.459 176.764 176.300 0.009 0.000 1.116 1044 M CA 0.504 55.808 55.300 0.008 0.000 1.181 1044 M CB 0.548 33.152 32.600 0.007 0.000 1.410 1044 M HN -0.268 nan 8.290 nan 0.000 0.454 1045 S N 2.249 117.955 115.700 0.010 0.000 2.512 1045 S HA 0.467 4.937 4.470 0.000 0.000 0.291 1045 S C -0.757 173.852 174.600 0.015 0.000 1.151 1045 S CA -0.808 57.399 58.200 0.011 0.000 1.120 1045 S CB -0.138 63.069 63.200 0.010 0.000 1.029 1045 S HN 0.531 nan 8.310 nan 0.000 0.485 1046 V N 5.101 125.026 119.914 0.018 0.000 2.607 1046 V HA 0.375 4.495 4.120 0.000 0.000 0.289 1046 V C 0.857 176.971 176.094 0.033 0.000 1.053 1046 V CA -0.308 62.008 62.300 0.028 0.000 0.996 1046 V CB 1.566 33.406 31.823 0.030 0.000 0.995 1046 V HN 0.751 nan 8.190 nan 0.000 0.476 1047 E N 0.944 121.173 120.200 0.049 0.000 2.228 1047 E HA 0.077 4.427 4.350 0.000 0.000 0.197 1047 E C 0.714 177.347 176.600 0.055 0.000 0.909 1047 E CA 0.159 56.586 56.400 0.044 0.000 0.911 1047 E CB -0.046 29.680 29.700 0.043 0.000 0.887 1047 E HN 0.701 nan 8.360 nan 0.000 0.481 1048 H N 2.431 121.501 119.070 0.001 0.000 2.764 1048 H HA 0.051 4.607 4.556 -0.000 0.000 0.341 1048 H C -1.750 173.577 175.328 -0.001 0.000 1.072 1048 H CA -1.489 54.559 56.048 0.001 0.000 1.444 1048 H CB 1.606 31.366 29.762 -0.004 0.000 1.458 1048 H HN -0.209 nan 8.280 nan 0.000 0.572 1049 P HA -0.136 nan 4.420 nan 0.000 0.215 1049 P C 1.043 178.446 177.300 0.172 0.000 1.153 1049 P CA 2.167 65.282 63.100 0.024 0.000 0.853 1049 P CB 0.097 31.744 31.700 -0.089 0.000 0.788 1050 A N -0.122 122.957 122.820 0.433 0.000 1.898 1050 A HA -0.042 4.278 4.320 0.000 0.000 0.216 1050 A C 2.310 179.950 177.584 0.092 0.000 1.181 1050 A CA 1.881 54.044 52.037 0.209 0.000 0.620 1050 A CB -1.552 17.517 19.000 0.114 0.000 0.819 1050 A HN 0.185 nan 8.150 nan 0.000 0.442 1051 A N -0.156 122.723 122.820 0.099 0.000 1.972 1051 A HA -0.129 4.191 4.320 0.000 0.000 0.219 1051 A C 2.053 179.665 177.584 0.046 0.000 1.169 1051 A CA 1.698 53.756 52.037 0.036 0.000 0.635 1051 A CB -0.375 18.642 19.000 0.027 0.000 0.810 1051 A HN 0.540 nan 8.150 nan 0.000 0.446 1052 K N -0.915 119.527 120.400 0.070 0.000 2.211 1052 K HA -0.030 4.290 4.320 0.000 0.000 0.203 1052 K C 1.789 178.410 176.600 0.034 0.000 1.050 1052 K CA 1.106 57.419 56.287 0.044 0.000 0.945 1052 K CB -0.181 32.343 32.500 0.040 0.000 0.732 1052 K HN 0.354 nan 8.250 nan 0.000 0.451 1053 M N 0.231 119.855 119.600 0.039 0.000 2.229 1053 M HA -0.092 4.388 4.480 0.000 0.000 0.264 1053 M C 1.860 178.172 176.300 0.021 0.000 1.063 1053 M CA 1.220 56.538 55.300 0.029 0.000 1.114 1053 M CB -0.655 31.964 32.600 0.031 0.000 1.387 1053 M HN 0.073 nan 8.290 nan 0.000 0.420 1054 L N -0.019 121.214 121.223 0.017 0.000 2.201 1054 L HA -0.061 4.279 4.340 0.000 0.000 0.212 1054 L C 2.254 179.130 176.870 0.010 0.000 1.105 1054 L CA 1.194 56.039 54.840 0.010 0.000 0.775 1054 L CB -0.809 41.251 42.059 0.002 0.000 0.913 1054 L HN 0.214 nan 8.230 nan 0.000 0.440 1055 I N -0.941 119.637 120.570 0.012 0.000 2.226 1055 I HA -0.270 3.900 4.170 0.000 0.000 0.245 1055 I C 2.458 178.581 176.117 0.011 0.000 1.100 1055 I CA 1.000 62.307 61.300 0.011 0.000 1.374 1055 I CB -0.146 37.862 38.000 0.013 0.000 1.057 1055 I HN 0.230 nan 8.210 nan 0.000 0.413 1056 E N 0.867 121.075 120.200 0.014 0.000 2.110 1056 E HA -0.156 4.194 4.350 0.000 0.000 0.193 1056 E C 2.130 178.738 176.600 0.014 0.000 0.988 1056 E CA 1.128 57.536 56.400 0.013 0.000 0.804 1056 E CB -0.089 29.621 29.700 0.015 0.000 0.745 1056 E HN 0.241 nan 8.360 nan 0.000 0.458 1057 V N 0.599 120.521 119.914 0.015 0.000 2.343 1057 V HA -0.268 3.852 4.120 0.000 0.000 0.247 1057 V C 2.320 178.421 176.094 0.012 0.000 1.051 1057 V CA 1.845 64.154 62.300 0.015 0.000 1.036 1057 V CB -0.901 30.931 31.823 0.015 0.000 0.654 1057 V HN 0.443 nan 8.190 nan 0.000 0.451 1058 A N -0.504 122.321 122.820 0.009 0.000 1.930 1058 A HA -0.206 4.114 4.320 0.000 0.000 0.217 1058 A C 2.298 179.887 177.584 0.007 0.000 1.175 1058 A CA 1.761 53.803 52.037 0.007 0.000 0.627 1058 A CB -0.377 18.626 19.000 0.005 0.000 0.815 1058 A HN 0.538 nan 8.150 nan 0.000 0.443 1059 K N -0.576 119.828 120.400 0.008 0.000 2.097 1059 K HA -0.100 4.220 4.320 0.000 0.000 0.205 1059 K C 2.228 178.833 176.600 0.008 0.000 1.050 1059 K CA 1.717 58.009 56.287 0.007 0.000 0.938 1059 K CB -0.309 32.196 32.500 0.008 0.000 0.718 1059 K HN 0.732 nan 8.250 nan 0.000 0.442 1060 T N -1.204 113.356 114.554 0.010 0.000 2.904 1060 T HA -0.140 4.210 4.350 0.000 0.000 0.267 1060 T C 2.000 176.707 174.700 0.011 0.000 1.059 1060 T CA 0.843 62.949 62.100 0.011 0.000 1.137 1060 T CB 0.004 68.881 68.868 0.014 0.000 0.879 1060 T HN 0.012 nan 8.240 nan 0.000 0.467 1061 Q N 1.339 121.145 119.800 0.011 0.000 2.083 1061 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 1061 Q C 2.394 178.398 176.000 0.008 0.000 0.969 1061 Q CA 1.569 57.379 55.803 0.010 0.000 0.838 1061 Q CB -0.414 28.329 28.738 0.009 0.000 0.900 1061 Q HN 0.625 nan 8.270 nan 0.000 0.436 1062 E N 0.543 120.747 120.200 0.007 0.000 2.051 1062 E HA -0.236 4.114 4.350 0.000 0.000 0.192 1062 E C 1.815 178.418 176.600 0.005 0.000 0.991 1062 E CA 1.479 57.882 56.400 0.005 0.000 0.799 1062 E CB -0.137 29.566 29.700 0.004 0.000 0.748 1062 E HN 0.368 nan 8.360 nan 0.000 0.449 1063 K N 0.166 120.569 120.400 0.005 0.000 2.057 1063 K HA -0.203 4.117 4.320 0.000 0.000 0.207 1063 K C 2.181 178.784 176.600 0.005 0.000 1.049 1063 K CA 1.768 58.058 56.287 0.005 0.000 0.931 1063 K CB -0.058 32.445 32.500 0.005 0.000 0.714 1063 K HN -0.066 nan 8.250 nan 0.000 0.440 1064 E N -0.416 119.789 120.200 0.007 0.000 2.086 1064 E HA -0.058 4.292 4.350 0.000 0.000 0.190 1064 E C 1.563 178.168 176.600 0.008 0.000 0.975 1064 E CA 1.109 57.514 56.400 0.008 0.000 0.813 1064 E CB 0.357 30.062 29.700 0.010 0.000 0.768 1064 E HN 0.132 nan 8.360 nan 0.000 0.457 1065 V N -1.594 118.325 119.914 0.008 0.000 2.911 1065 V HA 0.391 4.511 4.120 0.000 0.000 0.237 1065 V C 1.656 177.754 176.094 0.008 0.000 1.156 1065 V CA 0.849 63.154 62.300 0.008 0.000 1.180 1065 V CB 0.397 32.226 31.823 0.010 0.000 0.932 1065 V HN 0.506 nan 8.190 nan 0.000 0.483 1066 G N 0.131 108.935 108.800 0.007 0.000 4.391 1066 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 1066 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 1066 G C 0.144 175.048 174.900 0.007 0.000 1.547 1066 G CA 0.279 45.383 45.100 0.006 0.000 1.103 1066 G HN 0.441 nan 8.290 nan 0.000 0.637 1067 D N 1.706 122.110 120.400 0.008 0.000 2.387 1067 D HA 0.481 5.121 4.640 0.000 0.000 0.251 1067 D C 1.417 177.721 176.300 0.007 0.000 1.141 1067 D CA 1.264 55.269 54.000 0.009 0.000 0.987 1067 D CB 0.808 41.615 40.800 0.011 0.000 1.116 1067 D HN 1.721 nan 8.370 nan 0.000 0.491 1068 G N 0.432 109.235 108.800 0.006 0.000 2.143 1068 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 1068 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 1068 G C 1.010 175.910 174.900 0.001 0.000 0.981 1068 G CA 1.205 46.307 45.100 0.003 0.000 0.665 1068 G HN 0.613 nan 8.290 nan 0.000 0.528 1069 T N -3.147 111.408 114.554 0.002 0.000 2.821 1069 T HA -0.042 4.308 4.350 0.000 0.000 0.267 1069 T C 2.206 176.905 174.700 -0.002 0.000 1.046 1069 T CA 2.431 64.532 62.100 0.002 0.000 1.139 1069 T CB -0.409 68.460 68.868 0.002 0.000 0.871 1069 T HN 0.276 nan 8.240 nan 0.000 0.454 1070 T N 1.896 116.447 114.554 -0.005 0.000 2.812 1070 T HA -0.043 4.307 4.350 0.000 0.000 0.264 1070 T C 2.234 176.926 174.700 -0.014 0.000 1.042 1070 T CA 1.640 63.734 62.100 -0.010 0.000 1.140 1070 T CB -0.843 68.018 68.868 -0.012 0.000 0.870 1070 T HN 0.482 nan 8.240 nan 0.000 0.445 1071 T N 2.180 116.726 114.554 -0.013 0.000 2.684 1071 T HA -0.096 4.254 4.350 0.000 0.000 0.267 1071 T C 2.383 177.072 174.700 -0.018 0.000 1.036 1071 T CA 1.309 63.398 62.100 -0.018 0.000 1.148 1071 T CB -0.545 68.315 68.868 -0.014 0.000 0.863 1071 T HN 0.436 nan 8.240 nan 0.000 0.436 1072 A N 0.743 123.558 122.820 -0.009 0.000 1.902 1072 A HA -0.028 4.292 4.320 0.000 0.000 0.217 1072 A C 2.592 180.173 177.584 -0.006 0.000 1.181 1072 A CA 1.358 53.393 52.037 -0.003 0.000 0.623 1072 A CB -0.894 18.109 19.000 0.006 0.000 0.818 1072 A HN 0.365 nan 8.150 nan 0.000 0.443 1073 V N -0.963 118.947 119.914 -0.007 0.000 2.323 1073 V HA -0.175 3.945 4.120 0.000 0.000 0.244 1073 V C 2.468 178.552 176.094 -0.017 0.000 1.041 1073 V CA 1.787 64.082 62.300 -0.008 0.000 1.025 1073 V CB -0.632 31.186 31.823 -0.007 0.000 0.656 1073 V HN 0.375 nan 8.190 nan 0.000 0.451 1074 V N -0.374 119.526 119.914 -0.023 0.000 2.515 1074 V HA -0.168 3.952 4.120 0.000 0.000 0.250 1074 V C 2.321 178.390 176.094 -0.042 0.000 1.058 1074 V CA 1.934 64.215 62.300 -0.031 0.000 1.064 1074 V CB 0.317 32.121 31.823 -0.033 0.000 0.675 1074 V HN 0.386 nan 8.190 nan 0.000 0.461 1075 V N 0.341 120.226 119.914 -0.048 0.000 2.358 1075 V HA -0.153 3.967 4.120 0.000 0.000 0.246 1075 V C 2.770 178.828 176.094 -0.061 0.000 1.047 1075 V CA 1.888 64.143 62.300 -0.076 0.000 1.035 1075 V CB -1.069 30.701 31.823 -0.088 0.000 0.658 1075 V HN 0.617 nan 8.190 nan 0.000 0.452 1076 A N 0.498 123.302 122.820 -0.027 0.000 1.933 1076 A HA -0.098 4.222 4.320 0.000 0.000 0.218 1076 A C 2.374 179.954 177.584 -0.006 0.000 1.175 1076 A CA 1.999 54.036 52.037 -0.001 0.000 0.628 1076 A CB -1.083 17.922 19.000 0.008 0.000 0.814 1076 A HN 0.530 nan 8.150 nan 0.000 0.444 1077 G N -0.823 107.965 108.800 -0.020 0.000 2.394 1077 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 1077 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 1077 G C 1.463 176.348 174.900 -0.026 0.000 1.165 1077 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 1077 G HN 0.532 nan 8.290 nan 0.000 0.535 1078 E N 0.329 120.511 120.200 -0.030 0.000 2.106 1078 E HA 0.035 4.385 4.350 0.000 0.000 0.192 1078 E C 2.498 179.095 176.600 -0.005 0.000 0.984 1078 E CA 0.473 56.855 56.400 -0.031 0.000 0.806 1078 E CB -0.330 29.337 29.700 -0.054 0.000 0.750 1078 E HN 0.426 nan 8.360 nan 0.000 0.458 1079 L N -0.328 120.900 121.223 0.009 0.000 2.046 1079 L HA -0.176 4.164 4.340 0.000 0.000 0.208 1079 L C 2.130 179.073 176.870 0.122 0.000 1.077 1079 L CA 0.527 55.446 54.840 0.133 0.000 0.747 1079 L CB -0.383 41.771 42.059 0.159 0.000 0.896 1079 L HN 0.229 nan 8.230 nan 0.000 0.432 1080 L N -0.245 120.991 121.223 0.022 0.000 2.083 1080 L HA -0.191 4.149 4.340 0.000 0.000 0.209 1080 L C 2.703 179.557 176.870 -0.027 0.000 1.083 1080 L CA 1.601 56.421 54.840 -0.033 0.000 0.752 1080 L CB -0.802 41.231 42.059 -0.044 0.000 0.899 1080 L HN 0.183 nan 8.230 nan 0.000 0.433 1081 R N -0.652 119.841 120.500 -0.011 0.000 2.073 1081 R HA -0.140 4.200 4.340 0.000 0.000 0.234 1081 R C 2.104 178.408 176.300 0.007 0.000 1.134 1081 R CA 1.149 57.240 56.100 -0.014 0.000 0.952 1081 R CB 0.054 30.343 30.300 -0.018 0.000 0.850 1081 R HN 0.132 nan 8.270 nan 0.000 0.433 1082 K N 0.112 120.539 120.400 0.044 0.000 2.155 1082 K HA 0.009 4.329 4.320 0.000 0.000 0.203 1082 K C 1.908 178.575 176.600 0.112 0.000 1.052 1082 K CA 1.091 57.425 56.287 0.080 0.000 0.948 1082 K CB -0.131 32.432 32.500 0.106 0.000 0.728 1082 K HN 0.258 nan 8.250 nan 0.000 0.448 1083 A N 1.589 124.470 122.820 0.102 0.000 1.930 1083 A HA -0.162 4.158 4.320 0.000 0.000 0.217 1083 A C 2.155 179.719 177.584 -0.033 0.000 1.175 1083 A CA 1.327 53.360 52.037 -0.007 0.000 0.627 1083 A CB -0.237 18.623 19.000 -0.234 0.000 0.815 1083 A HN 0.220 nan 8.150 nan 0.000 0.443 1084 E N -0.116 120.064 120.200 -0.033 0.000 2.106 1084 E HA -0.208 4.142 4.350 0.000 0.000 0.192 1084 E C 1.940 178.527 176.600 -0.021 0.000 0.984 1084 E CA 1.483 57.859 56.400 -0.040 0.000 0.806 1084 E CB -0.100 29.571 29.700 -0.048 0.000 0.750 1084 E HN 0.626 nan 8.360 nan 0.000 0.458 1085 E N 0.491 120.689 120.200 -0.004 0.000 2.153 1085 E HA -0.157 4.193 4.350 0.000 0.000 0.194 1085 E C 2.047 178.655 176.600 0.013 0.000 0.988 1085 E CA 0.599 57.001 56.400 0.004 0.000 0.811 1085 E CB -0.327 29.380 29.700 0.012 0.000 0.746 1085 E HN 0.182 nan 8.360 nan 0.000 0.466 1086 L N -0.131 121.108 121.223 0.028 0.000 2.109 1086 L HA 0.011 4.351 4.340 0.000 0.000 0.207 1086 L C 2.011 178.889 176.870 0.013 0.000 1.086 1086 L CA 1.421 56.283 54.840 0.038 0.000 0.760 1086 L CB -0.318 41.790 42.059 0.082 0.000 0.910 1086 L HN 0.239 nan 8.230 nan 0.000 0.437 1087 L N -0.730 120.487 121.223 -0.010 0.000 2.141 1087 L HA -0.188 4.152 4.340 0.000 0.000 0.209 1087 L C 2.148 179.004 176.870 -0.023 0.000 1.094 1087 L CA 1.427 56.249 54.840 -0.030 0.000 0.763 1087 L CB -0.600 41.427 42.059 -0.053 0.000 0.908 1087 L HN 0.318 nan 8.230 nan 0.000 0.437 1088 D N -0.574 119.816 120.400 -0.017 0.000 2.178 1088 D HA -0.187 4.454 4.640 0.000 0.000 0.202 1088 D C 2.078 178.376 176.300 -0.004 0.000 0.974 1088 D CA 0.858 54.850 54.000 -0.013 0.000 0.841 1088 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 1088 D HN 0.144 nan 8.370 nan 0.000 0.478 1089 Q N 0.188 119.989 119.800 0.002 0.000 2.482 1089 Q HA 0.023 4.363 4.340 0.000 0.000 0.209 1089 Q C -0.032 175.974 176.000 0.010 0.000 0.961 1089 Q CA 0.273 56.081 55.803 0.008 0.000 0.945 1089 Q CB -0.062 28.685 28.738 0.014 0.000 1.012 1089 Q HN 0.360 nan 8.270 nan 0.000 0.515 1090 N N -0.258 118.445 118.700 0.005 0.000 2.780 1090 N HA -0.127 4.613 4.740 0.000 0.000 0.247 1090 N C -1.186 174.338 175.510 0.024 0.000 1.076 1090 N CA 0.351 53.406 53.050 0.008 0.000 0.688 1090 N CB -1.629 36.866 38.487 0.014 0.000 0.957 1090 N HN -0.015 nan 8.380 nan 0.000 0.551 1091 V N 1.662 121.588 119.914 0.021 0.000 2.350 1091 V HA 0.129 4.249 4.120 0.000 0.000 0.276 1091 V C 0.981 177.100 176.094 0.041 0.000 1.028 1091 V CA -0.732 61.594 62.300 0.044 0.000 0.860 1091 V CB 1.438 33.289 31.823 0.046 0.000 0.990 1091 V HN 0.324 nan 8.190 nan 0.000 0.453 1092 H N 8.026 127.099 119.070 0.005 0.000 3.001 1092 H HA 0.037 4.593 4.556 0.000 0.000 0.334 1092 H C -1.698 173.629 175.328 -0.001 0.000 1.034 1092 H CA -1.057 54.992 56.048 0.002 0.000 1.420 1092 H CB 1.687 31.450 29.762 0.002 0.000 1.405 1092 H HN 0.376 nan 8.280 nan 0.000 0.593 1093 P HA -0.173 nan 4.420 nan 0.000 0.218 1093 P C 1.501 178.856 177.300 0.091 0.000 1.146 1093 P CA 1.695 64.736 63.100 -0.099 0.000 0.820 1093 P CB 0.033 31.619 31.700 -0.191 0.000 0.778 1094 T N -1.874 112.902 114.554 0.369 0.000 2.929 1094 T HA -0.097 4.253 4.350 0.000 0.000 0.271 1094 T C 1.505 176.274 174.700 0.116 0.000 1.085 1094 T CA 0.846 63.076 62.100 0.218 0.000 1.125 1094 T CB -0.472 68.483 68.868 0.146 0.000 0.874 1094 T HN -0.146 nan 8.240 nan 0.000 0.494 1095 I N 0.119 120.763 120.570 0.124 0.000 2.385 1095 I HA 0.072 4.242 4.170 0.000 0.000 0.244 1095 I C 2.561 178.730 176.117 0.087 0.000 1.089 1095 I CA 0.651 62.001 61.300 0.083 0.000 1.410 1095 I CB -1.529 36.521 38.000 0.082 0.000 1.117 1095 I HN 0.112 nan 8.210 nan 0.000 0.429 1096 V N 1.082 121.041 119.914 0.074 0.000 2.469 1096 V HA -0.216 3.904 4.120 0.000 0.000 0.251 1096 V C 2.548 178.676 176.094 0.056 0.000 1.064 1096 V CA 1.587 63.932 62.300 0.074 0.000 1.066 1096 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 1096 V HN 0.184 nan 8.190 nan 0.000 0.461 1097 V N -0.082 119.845 119.914 0.022 0.000 2.427 1097 V HA -0.234 3.886 4.120 0.000 0.000 0.248 1097 V C 2.391 178.531 176.094 0.076 0.000 1.051 1097 V CA 2.490 64.807 62.300 0.028 0.000 1.048 1097 V CB -0.680 31.154 31.823 0.018 0.000 0.666 1097 V HN 0.608 nan 8.190 nan 0.000 0.456 1098 K N 0.207 120.649 120.400 0.070 0.000 2.021 1098 K HA -0.069 4.251 4.320 0.000 0.000 0.205 1098 K C 2.191 178.818 176.600 0.044 0.000 1.047 1098 K CA 1.426 57.740 56.287 0.046 0.000 0.943 1098 K CB -0.539 31.977 32.500 0.027 0.000 0.725 1098 K HN 0.439 nan 8.250 nan 0.000 0.439 1099 G N -0.208 108.637 108.800 0.075 0.000 2.408 1099 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 1099 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 1099 G C 1.147 176.038 174.900 -0.015 0.000 1.150 1099 G CA 0.669 45.780 45.100 0.019 0.000 0.776 1099 G HN 0.285 nan 8.290 nan 0.000 0.542 1100 Y N 0.408 120.678 120.300 -0.051 0.000 2.293 1100 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 1100 Y C 2.981 178.779 175.900 -0.170 0.000 1.137 1100 Y CA 1.368 59.433 58.100 -0.058 0.000 1.202 1100 Y CB -0.095 38.428 38.460 0.105 0.000 0.990 1100 Y HN 0.195 nan 8.280 nan 0.000 0.537 1101 Q N 0.369 120.204 119.800 0.060 0.000 2.046 1101 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 1101 Q C 2.397 178.352 176.000 -0.075 0.000 0.975 1101 Q CA 1.496 57.300 55.803 0.003 0.000 0.836 1101 Q CB -0.315 28.439 28.738 0.027 0.000 0.896 1101 Q HN 0.444 nan 8.270 nan 0.000 0.428 1102 A N 0.920 123.691 122.820 -0.082 0.000 1.877 1102 A HA -0.086 4.234 4.320 0.000 0.000 0.216 1102 A C 2.325 179.879 177.584 -0.051 0.000 1.186 1102 A CA 2.175 54.184 52.037 -0.048 0.000 0.620 1102 A CB -0.917 18.029 19.000 -0.090 0.000 0.822 1102 A HN 0.495 nan 8.150 nan 0.000 0.443 1103 A N -0.356 122.283 122.820 -0.302 0.000 1.930 1103 A HA 0.222 4.542 4.320 0.000 0.000 0.217 1103 A C 2.478 179.595 177.584 -0.779 0.000 1.175 1103 A CA 1.939 53.656 52.037 -0.533 0.000 0.627 1103 A CB -0.915 17.511 19.000 -0.956 0.000 0.815 1103 A HN 1.017 nan 8.150 nan 0.000 0.443 1104 A N -0.785 121.510 122.820 -0.875 0.000 1.898 1104 A HA -0.194 4.126 4.320 0.000 0.000 0.216 1104 A C 2.186 179.706 177.584 -0.107 0.000 1.181 1104 A CA 1.736 53.559 52.037 -0.355 0.000 0.620 1104 A CB -0.557 18.385 19.000 -0.097 0.000 0.819 1104 A HN 0.642 nan 8.150 nan 0.000 0.442 1105 Q N -0.699 119.044 119.800 -0.095 0.000 2.119 1105 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 1105 Q C 2.017 177.989 176.000 -0.047 0.000 0.972 1105 Q CA 1.899 57.680 55.803 -0.037 0.000 0.847 1105 Q CB -0.062 28.667 28.738 -0.015 0.000 0.903 1105 Q HN 0.452 nan 8.270 nan 0.000 0.433 1106 K N 0.273 120.630 120.400 -0.073 0.000 2.103 1106 K HA 0.002 4.322 4.320 0.000 0.000 0.204 1106 K C 1.699 178.247 176.600 -0.086 0.000 1.052 1106 K CA 1.303 57.506 56.287 -0.140 0.000 0.945 1106 K CB -0.473 31.855 32.500 -0.288 0.000 0.722 1106 K HN 0.266 nan 8.250 nan 0.000 0.443 1107 A N 0.698 123.498 122.820 -0.033 0.000 1.933 1107 A HA -0.227 4.093 4.320 0.000 0.000 0.218 1107 A C 2.205 179.813 177.584 0.039 0.000 1.175 1107 A CA 1.834 53.903 52.037 0.053 0.000 0.628 1107 A CB -0.638 18.481 19.000 0.199 0.000 0.814 1107 A HN 0.580 nan 8.150 nan 0.000 0.444 1108 Q N -0.345 119.470 119.800 0.025 0.000 2.084 1108 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 1108 Q C 1.898 177.899 176.000 0.001 0.000 0.978 1108 Q CA 1.823 57.638 55.803 0.020 0.000 0.844 1108 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 1108 Q HN 0.788 nan 8.270 nan 0.000 0.426 1109 E N 0.227 120.415 120.200 -0.020 0.000 2.110 1109 E HA -0.168 4.182 4.350 0.000 0.000 0.193 1109 E C 2.145 178.728 176.600 -0.028 0.000 0.988 1109 E CA 1.040 57.421 56.400 -0.031 0.000 0.804 1109 E CB -0.042 29.623 29.700 -0.058 0.000 0.745 1109 E HN 0.393 nan 8.360 nan 0.000 0.458 1110 L N 0.617 121.822 121.223 -0.030 0.000 2.056 1110 L HA -0.188 4.152 4.340 0.000 0.000 0.207 1110 L C 2.434 179.307 176.870 0.004 0.000 1.078 1110 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 1110 L CB -0.346 41.705 42.059 -0.015 0.000 0.901 1110 L HN 0.174 nan 8.230 nan 0.000 0.433 1111 L N -0.378 120.851 121.223 0.011 0.000 2.046 1111 L HA -0.211 4.129 4.340 0.000 0.000 0.208 1111 L C 2.590 179.467 176.870 0.012 0.000 1.077 1111 L CA 1.386 56.236 54.840 0.016 0.000 0.747 1111 L CB -0.432 41.639 42.059 0.021 0.000 0.896 1111 L HN 0.211 nan 8.230 nan 0.000 0.432 1112 K N -0.810 119.594 120.400 0.006 0.000 2.217 1112 K HA -0.080 4.240 4.320 0.000 0.000 0.202 1112 K C 2.057 178.658 176.600 0.001 0.000 1.051 1112 K CA 1.435 57.724 56.287 0.004 0.000 0.952 1112 K CB -0.137 32.363 32.500 -0.000 0.000 0.736 1112 K HN 0.275 nan 8.250 nan 0.000 0.453 1113 T N 2.057 116.610 114.554 -0.002 0.000 2.737 1113 T HA -0.076 4.274 4.350 0.000 0.000 0.265 1113 T C 1.898 176.601 174.700 0.005 0.000 1.038 1113 T CA 1.314 63.412 62.100 -0.003 0.000 1.144 1113 T CB -0.147 68.715 68.868 -0.010 0.000 0.866 1113 T HN 0.375 nan 8.240 nan 0.000 0.434 1114 I N -0.029 120.549 120.570 0.014 0.000 3.251 1114 I HA 0.395 4.565 4.170 0.000 0.000 0.277 1114 I C 1.113 177.241 176.117 0.018 0.000 1.268 1114 I CA -0.447 60.866 61.300 0.022 0.000 1.449 1114 I CB -0.556 37.470 38.000 0.042 0.000 1.083 1114 I HN -0.041 nan 8.210 nan 0.000 0.464 1115 A N 1.575 124.403 122.820 0.014 0.000 2.566 1115 A HA 0.124 4.444 4.320 0.000 0.000 0.245 1115 A C 0.112 177.702 177.584 0.010 0.000 1.056 1115 A CA -0.005 52.040 52.037 0.013 0.000 0.757 1115 A CB -0.300 18.706 19.000 0.010 0.000 0.979 1115 A HN 0.639 nan 8.150 nan 0.000 0.508 1116 C N 3.472 122.779 119.300 0.011 0.000 2.295 1116 C HA 0.481 4.941 4.460 0.000 0.000 0.331 1116 C C 0.525 175.519 174.990 0.007 0.000 1.280 1116 C CA -0.652 58.371 59.018 0.008 0.000 1.746 1116 C CB -0.297 27.449 27.740 0.009 0.000 2.328 1116 C HN 0.945 nan 8.230 nan 0.000 0.521 1117 E N 3.808 124.011 120.200 0.005 0.000 2.366 1117 E HA 0.424 4.774 4.350 0.000 0.000 0.266 1117 E C -0.257 176.345 176.600 0.004 0.000 1.015 1117 E CA -0.024 56.378 56.400 0.004 0.000 0.906 1117 E CB 0.727 30.428 29.700 0.003 0.000 0.979 1117 E HN 0.716 nan 8.360 nan 0.000 0.443 1118 V N 1.051 120.967 119.914 0.005 0.000 3.102 1118 V HA 0.718 4.838 4.120 0.000 0.000 0.312 1118 V C 0.364 176.461 176.094 0.004 0.000 1.135 1118 V CA -0.687 61.616 62.300 0.004 0.000 1.022 1118 V CB 1.505 33.332 31.823 0.005 0.000 1.056 1118 V HN 0.702 nan 8.190 nan 0.000 0.436 1119 G N 0.527 109.329 108.800 0.003 0.000 2.313 1119 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 1119 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 1119 G C 0.989 175.892 174.900 0.004 0.000 1.281 1119 G CA 0.223 45.325 45.100 0.003 0.000 0.917 1119 G HN 1.661 nan 8.290 nan 0.000 0.501 1120 A N 2.539 125.361 122.820 0.004 0.000 1.908 1120 A HA -0.092 4.228 4.320 0.000 0.000 0.218 1120 A C 2.056 179.643 177.584 0.004 0.000 1.181 1120 A CA 1.298 53.337 52.037 0.004 0.000 0.627 1120 A CB -0.067 18.935 19.000 0.004 0.000 0.818 1120 A HN 0.568 nan 8.150 nan 0.000 0.445 1121 Q N -0.316 119.487 119.800 0.004 0.000 2.198 1121 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 1121 Q C -0.735 175.267 176.000 0.004 0.000 0.848 1121 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 1121 Q CB 0.080 28.821 28.738 0.005 0.000 1.115 1121 Q HN 0.745 nan 8.270 nan 0.000 0.494 1122 D N 1.142 121.544 120.400 0.004 0.000 2.389 1122 D HA -0.050 4.590 4.640 0.000 0.000 0.263 1122 D C 1.226 177.528 176.300 0.003 0.000 1.255 1122 D CA 0.144 54.146 54.000 0.003 0.000 0.914 1122 D CB 0.876 41.677 40.800 0.003 0.000 1.116 1122 D HN -0.228 nan 8.370 nan 0.000 0.502 1123 K N 3.627 124.029 120.400 0.003 0.000 2.015 1123 K HA -0.300 4.020 4.320 0.000 0.000 0.220 1123 K C 1.583 178.184 176.600 0.002 0.000 1.055 1123 K CA 2.238 58.527 56.287 0.003 0.000 0.951 1123 K CB -0.298 32.203 32.500 0.002 0.000 0.725 1123 K HN 0.682 nan 8.250 nan 0.000 0.449 1124 E N -0.544 119.656 120.200 0.001 0.000 2.048 1124 E HA -0.243 4.107 4.350 0.000 0.000 0.202 1124 E C 2.029 178.629 176.600 0.001 0.000 1.021 1124 E CA 1.896 58.296 56.400 -0.001 0.000 0.825 1124 E CB -0.324 29.375 29.700 -0.001 0.000 0.756 1124 E HN 0.353 nan 8.360 nan 0.000 0.454 1125 I N 0.359 120.931 120.570 0.002 0.000 2.493 1125 I HA -0.183 3.987 4.170 0.000 0.000 0.254 1125 I C 1.860 177.981 176.117 0.006 0.000 1.160 1125 I CA 0.712 62.015 61.300 0.004 0.000 1.445 1125 I CB 0.002 38.005 38.000 0.005 0.000 1.086 1125 I HN 0.199 nan 8.210 nan 0.000 0.433 1126 L N -0.103 121.123 121.223 0.005 0.000 2.156 1126 L HA -0.094 4.246 4.340 0.000 0.000 0.208 1126 L C 2.631 179.505 176.870 0.006 0.000 1.095 1126 L CA 2.123 56.967 54.840 0.006 0.000 0.770 1126 L CB -1.437 40.626 42.059 0.006 0.000 0.914 1126 L HN 0.448 nan 8.230 nan 0.000 0.439 1127 T N -4.400 110.156 114.554 0.004 0.000 2.942 1127 T HA -0.108 4.242 4.350 0.000 0.000 0.265 1127 T C 1.893 176.594 174.700 0.003 0.000 1.062 1127 T CA 0.622 62.723 62.100 0.003 0.000 1.139 1127 T CB -0.146 68.722 68.868 -0.000 0.000 0.883 1127 T HN 0.185 nan 8.240 nan 0.000 0.468 1128 K N 0.759 121.161 120.400 0.003 0.000 2.097 1128 K HA 0.162 4.482 4.320 0.000 0.000 0.205 1128 K C 2.158 178.766 176.600 0.014 0.000 1.050 1128 K CA 1.110 57.400 56.287 0.005 0.000 0.938 1128 K CB -0.335 32.167 32.500 0.004 0.000 0.718 1128 K HN 0.372 nan 8.250 nan 0.000 0.442 1129 I N 1.034 121.612 120.570 0.014 0.000 2.163 1129 I HA -0.280 3.890 4.170 0.000 0.000 0.240 1129 I C 2.530 178.659 176.117 0.020 0.000 1.081 1129 I CA 1.145 62.456 61.300 0.018 0.000 1.353 1129 I CB -0.393 37.616 38.000 0.014 0.000 1.054 1129 I HN 0.133 nan 8.210 nan 0.000 0.407 1130 A N 0.648 123.477 122.820 0.016 0.000 1.883 1130 A HA -0.250 4.070 4.320 0.000 0.000 0.217 1130 A C 2.380 179.976 177.584 0.021 0.000 1.186 1130 A CA 1.858 53.904 52.037 0.016 0.000 0.624 1130 A CB -0.635 18.372 19.000 0.012 0.000 0.822 1130 A HN 0.340 nan 8.150 nan 0.000 0.444 1131 M N -0.305 119.307 119.600 0.019 0.000 2.086 1131 M HA -0.136 4.344 4.480 0.000 0.000 0.261 1131 M C 2.449 178.778 176.300 0.048 0.000 1.067 1131 M CA 2.093 57.407 55.300 0.023 0.000 1.116 1131 M CB -0.779 31.824 32.600 0.004 0.000 1.348 1131 M HN 0.711 nan 8.290 nan 0.000 0.407 1132 T N -2.696 111.889 114.554 0.052 0.000 2.915 1132 T HA -0.087 4.263 4.350 0.000 0.000 0.269 1132 T C 1.869 176.608 174.700 0.066 0.000 1.071 1132 T CA 1.546 63.694 62.100 0.080 0.000 1.132 1132 T CB -0.447 68.462 68.868 0.069 0.000 0.878 1132 T HN 0.317 nan 8.240 nan 0.000 0.479 1133 S N 1.108 116.835 115.700 0.045 0.000 2.355 1133 S HA 0.015 4.485 4.470 0.000 0.000 0.222 1133 S C 2.007 176.629 174.600 0.038 0.000 1.031 1133 S CA 0.871 59.092 58.200 0.035 0.000 0.993 1133 S CB -0.619 62.597 63.200 0.025 0.000 0.859 1133 S HN 0.598 nan 8.310 nan 0.000 0.453 1134 I N 1.761 122.356 120.570 0.042 0.000 2.361 1134 I HA -0.088 4.083 4.170 0.000 0.000 0.251 1134 I C 1.306 177.458 176.117 0.060 0.000 1.133 1134 I CA 0.875 62.201 61.300 0.044 0.000 1.413 1134 I CB -0.895 37.129 38.000 0.040 0.000 1.073 1134 I HN 0.444 nan 8.210 nan 0.000 0.424 1135 T N -0.622 113.985 114.554 0.089 0.000 2.903 1135 T HA 0.311 4.661 4.350 0.000 0.000 0.314 1135 T C 1.179 175.912 174.700 0.055 0.000 1.078 1135 T CA 0.103 62.277 62.100 0.124 0.000 1.114 1135 T CB 1.252 70.266 68.868 0.245 0.000 0.987 1135 T HN 0.595 nan 8.240 nan 0.000 0.548 1136 G N 1.295 110.111 108.800 0.026 0.000 2.159 1136 G HA2 -0.204 3.756 3.960 0.000 0.000 0.256 1136 G HA3 -0.204 3.756 3.960 0.000 0.000 0.256 1136 G C -0.077 174.824 174.900 0.002 0.000 0.977 1136 G CA 0.411 45.502 45.100 -0.015 0.000 0.652 1136 G HN 0.946 nan 8.290 nan 0.000 0.531 1137 K N -0.988 119.425 120.400 0.021 0.000 2.395 1137 K HA 0.596 4.916 4.320 0.000 0.000 0.247 1137 K C 1.482 178.100 176.600 0.029 0.000 0.973 1137 K CA -0.608 55.693 56.287 0.022 0.000 0.828 1137 K CB 1.487 34.002 32.500 0.025 0.000 1.272 1137 K HN 0.188 nan 8.250 nan 0.000 0.439 1138 G N 0.623 109.439 108.800 0.027 0.000 2.462 1138 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 1138 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 1138 G C 1.198 176.119 174.900 0.034 0.000 1.121 1138 G CA 1.221 46.339 45.100 0.030 0.000 0.758 1138 G HN 0.624 nan 8.290 nan 0.000 0.559 1139 A N 1.298 124.138 122.820 0.034 0.000 2.168 1139 A HA 0.100 4.420 4.320 0.000 0.000 0.215 1139 A C 2.105 179.713 177.584 0.039 0.000 1.152 1139 A CA 1.483 53.540 52.037 0.033 0.000 0.716 1139 A CB -0.348 18.669 19.000 0.029 0.000 0.794 1139 A HN 0.649 nan 8.150 nan 0.000 0.465 1140 E N 1.494 121.725 120.200 0.051 0.000 2.267 1140 E HA -0.301 4.049 4.350 0.000 0.000 0.197 1140 E C 1.633 178.268 176.600 0.058 0.000 0.998 1140 E CA 1.394 57.836 56.400 0.069 0.000 0.830 1140 E CB -0.562 29.204 29.700 0.111 0.000 0.751 1140 E HN 0.782 nan 8.360 nan 0.000 0.491 1141 K N 0.930 121.359 120.400 0.048 0.000 2.218 1141 K HA -0.108 4.212 4.320 0.000 0.000 0.205 1141 K C 1.315 177.929 176.600 0.024 0.000 1.046 1141 K CA 1.580 57.889 56.287 0.037 0.000 0.933 1141 K CB -0.071 32.448 32.500 0.032 0.000 0.728 1141 K HN 0.164 nan 8.250 nan 0.000 0.454 1142 A N 1.696 124.529 122.820 0.023 0.000 2.674 1142 A HA 0.167 4.487 4.320 0.000 0.000 0.286 1142 A C 1.094 178.686 177.584 0.014 0.000 0.980 1142 A CA -0.678 51.368 52.037 0.015 0.000 1.028 1142 A CB 0.067 19.076 19.000 0.015 0.000 1.199 1142 A HN 0.408 nan 8.150 nan 0.000 0.499 1143 K N -0.133 120.276 120.400 0.016 0.000 2.280 1143 K HA -0.150 4.170 4.320 0.000 0.000 0.202 1143 K C 0.813 177.416 176.600 0.006 0.000 1.047 1143 K CA 1.806 58.103 56.287 0.016 0.000 0.942 1143 K CB -0.026 32.489 32.500 0.025 0.000 0.739 1143 K HN 0.311 nan 8.250 nan 0.000 0.457 1144 E N 1.552 121.750 120.200 -0.003 0.000 2.072 1144 E HA -0.135 4.215 4.350 0.000 0.000 0.190 1144 E C 1.886 178.485 176.600 -0.002 0.000 0.982 1144 E CA 1.235 57.631 56.400 -0.008 0.000 0.803 1144 E CB -0.037 29.654 29.700 -0.015 0.000 0.755 1144 E HN 0.251 nan 8.360 nan 0.000 0.453 1145 K N 0.651 121.052 120.400 0.002 0.000 2.097 1145 K HA -0.030 4.290 4.320 0.000 0.000 0.205 1145 K C 1.764 178.368 176.600 0.008 0.000 1.050 1145 K CA 0.934 57.224 56.287 0.005 0.000 0.938 1145 K CB -0.211 32.293 32.500 0.007 0.000 0.718 1145 K HN 0.084 nan 8.250 nan 0.000 0.442 1146 L N -0.167 121.062 121.223 0.010 0.000 2.056 1146 L HA -0.087 4.253 4.340 0.000 0.000 0.207 1146 L C 2.450 179.327 176.870 0.010 0.000 1.078 1146 L CA 1.203 56.050 54.840 0.012 0.000 0.749 1146 L CB -0.635 41.432 42.059 0.015 0.000 0.901 1146 L HN 0.254 nan 8.230 nan 0.000 0.433 1147 A N -0.156 122.669 122.820 0.009 0.000 1.933 1147 A HA -0.264 4.056 4.320 0.000 0.000 0.218 1147 A C 2.258 179.846 177.584 0.006 0.000 1.175 1147 A CA 1.888 53.930 52.037 0.008 0.000 0.628 1147 A CB -0.501 18.502 19.000 0.005 0.000 0.814 1147 A HN 0.495 nan 8.150 nan 0.000 0.444 1148 E N 0.319 120.523 120.200 0.005 0.000 2.031 1148 E HA -0.203 4.147 4.350 0.000 0.000 0.193 1148 E C 1.937 178.541 176.600 0.007 0.000 0.994 1148 E CA 1.760 58.163 56.400 0.005 0.000 0.800 1148 E CB -0.334 29.369 29.700 0.004 0.000 0.752 1148 E HN 0.773 nan 8.360 nan 0.000 0.447 1149 I N -1.660 118.915 120.570 0.009 0.000 2.676 1149 I HA -0.065 4.105 4.170 0.000 0.000 0.259 1149 I C 1.896 178.020 176.117 0.011 0.000 1.194 1149 I CA 0.511 61.818 61.300 0.011 0.000 1.473 1149 I CB -0.059 37.950 38.000 0.015 0.000 1.096 1149 I HN 0.044 nan 8.210 nan 0.000 0.443 1150 I N 0.836 121.412 120.570 0.010 0.000 2.406 1150 I HA -0.101 4.069 4.170 0.000 0.000 0.249 1150 I C 2.373 178.495 176.117 0.008 0.000 1.122 1150 I CA 1.051 62.356 61.300 0.009 0.000 1.431 1150 I CB -0.145 37.861 38.000 0.009 0.000 1.087 1150 I HN 0.042 nan 8.210 nan 0.000 0.424 1151 V N 0.184 120.103 119.914 0.008 0.000 2.453 1151 V HA -0.157 3.963 4.120 0.000 0.000 0.247 1151 V C 2.388 178.486 176.094 0.007 0.000 1.048 1151 V CA 1.360 63.664 62.300 0.007 0.000 1.049 1151 V CB -0.581 31.245 31.823 0.006 0.000 0.672 1151 V HN 0.359 nan 8.190 nan 0.000 0.457 1152 E N 0.526 120.731 120.200 0.008 0.000 2.106 1152 E HA -0.139 4.211 4.350 0.000 0.000 0.192 1152 E C 2.370 178.976 176.600 0.010 0.000 0.984 1152 E CA 1.373 57.778 56.400 0.009 0.000 0.806 1152 E CB -0.409 29.297 29.700 0.010 0.000 0.750 1152 E HN 0.559 nan 8.360 nan 0.000 0.458 1153 A N 1.090 123.915 122.820 0.009 0.000 1.902 1153 A HA -0.146 4.174 4.320 0.000 0.000 0.217 1153 A C 2.614 180.202 177.584 0.007 0.000 1.181 1153 A CA 1.510 53.551 52.037 0.008 0.000 0.623 1153 A CB -0.662 18.342 19.000 0.007 0.000 0.818 1153 A HN 0.131 nan 8.150 nan 0.000 0.443 1154 V N -0.334 119.584 119.914 0.006 0.000 2.307 1154 V HA -0.193 3.927 4.120 0.000 0.000 0.245 1154 V C 2.759 178.857 176.094 0.007 0.000 1.045 1154 V CA 2.285 64.588 62.300 0.006 0.000 1.024 1154 V CB -0.843 30.983 31.823 0.006 0.000 0.651 1154 V HN 0.545 nan 8.190 nan 0.000 0.449 1155 S N 0.182 115.887 115.700 0.008 0.000 2.399 1155 S HA -0.165 4.305 4.470 0.000 0.000 0.231 1155 S C 2.166 176.773 174.600 0.012 0.000 1.022 1155 S CA 1.353 59.558 58.200 0.009 0.000 0.983 1155 S CB -0.440 62.765 63.200 0.009 0.000 0.803 1155 S HN 0.646 nan 8.310 nan 0.000 0.480 1156 A N 1.172 123.999 122.820 0.012 0.000 1.873 1156 A HA -0.043 4.277 4.320 0.000 0.000 0.215 1156 A C 2.376 179.970 177.584 0.017 0.000 1.186 1156 A CA 1.758 53.804 52.037 0.016 0.000 0.616 1156 A CB -0.732 18.277 19.000 0.014 0.000 0.823 1156 A HN 0.561 nan 8.150 nan 0.000 0.442 1157 V N -3.416 116.505 119.914 0.011 0.000 3.174 1157 V HA 0.052 4.172 4.120 0.000 0.000 0.254 1157 V C 2.048 178.146 176.094 0.008 0.000 1.120 1157 V CA 1.215 63.520 62.300 0.009 0.000 1.114 1157 V CB -0.398 31.428 31.823 0.004 0.000 0.756 1157 V HN 0.192 nan 8.190 nan 0.000 0.467 1158 V N 0.734 120.653 119.914 0.007 0.000 2.626 1158 V HA -0.125 3.995 4.120 0.000 0.000 0.252 1158 V C 1.638 177.735 176.094 0.005 0.000 1.067 1158 V CA 2.549 64.852 62.300 0.005 0.000 1.081 1158 V CB -0.519 31.307 31.823 0.005 0.000 0.686 1158 V HN 0.847 nan 8.190 nan 0.000 0.468 1159 D N -0.731 119.673 120.400 0.008 0.000 4.438 1159 D HA -0.222 4.418 4.640 0.000 0.000 0.158 1159 D C 0.614 176.916 176.300 0.003 0.000 0.686 1159 D CA 1.958 55.962 54.000 0.006 0.000 1.183 1159 D CB -1.283 39.518 40.800 0.001 0.000 0.623 1159 D HN 0.585 nan 8.370 nan 0.000 0.521 1160 D N 1.134 121.533 120.400 -0.001 0.000 2.398 1160 D HA 0.316 4.956 4.640 0.000 0.000 0.247 1160 D C -0.310 175.990 176.300 -0.000 0.000 1.227 1160 D CA 0.210 54.209 54.000 -0.002 0.000 0.980 1160 D CB 0.491 41.288 40.800 -0.005 0.000 1.106 1160 D HN 0.118 nan 8.370 nan 0.000 0.493 1161 E N -0.408 119.792 120.200 -0.000 0.000 2.261 1161 E HA 0.618 4.968 4.350 0.000 0.000 0.239 1161 E C -0.235 176.365 176.600 0.000 0.000 0.991 1161 E CA -0.485 55.916 56.400 0.001 0.000 0.847 1161 E CB 0.969 30.670 29.700 0.001 0.000 1.223 1161 E HN 0.509 nan 8.360 nan 0.000 0.446 1162 G N 1.158 109.958 108.800 0.000 0.000 2.340 1162 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 1162 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 1162 G C -1.719 173.182 174.900 0.001 0.000 1.488 1162 G CA -0.906 44.194 45.100 0.001 0.000 0.878 1162 G HN 0.074 nan 8.290 nan 0.000 0.618 1163 K N 0.624 121.024 120.400 0.001 0.000 2.553 1163 K HA 0.571 4.892 4.320 0.000 0.000 0.250 1163 K C -1.327 175.274 176.600 0.001 0.000 0.953 1163 K CA -0.522 55.766 56.287 0.001 0.000 0.800 1163 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 1163 K HN 0.527 nan 8.250 nan 0.000 0.435 1164 V N 3.292 123.207 119.914 0.002 0.000 2.398 1164 V HA 0.304 4.424 4.120 0.000 0.000 0.286 1164 V C -0.416 175.678 176.094 0.001 0.000 1.026 1164 V CA -0.712 61.589 62.300 0.001 0.000 0.868 1164 V CB 1.548 33.373 31.823 0.003 0.000 0.982 1164 V HN 0.652 nan 8.190 nan 0.000 0.443 1165 D N 3.477 123.877 120.400 -0.001 0.000 2.471 1165 D HA 0.317 4.957 4.640 0.000 0.000 0.245 1165 D C 0.739 177.037 176.300 -0.003 0.000 1.116 1165 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 1165 D CB 1.791 42.589 40.800 -0.004 0.000 1.123 1165 D HN 0.417 nan 8.370 nan 0.000 0.540 1166 K N 1.990 122.388 120.400 -0.003 0.000 2.442 1166 K HA -0.139 4.181 4.320 0.000 0.000 0.198 1166 K C 0.916 177.511 176.600 -0.008 0.000 1.044 1166 K CA 0.757 57.042 56.287 -0.005 0.000 0.948 1166 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 1166 K HN 0.362 nan 8.250 nan 0.000 0.472 1167 D N 0.332 120.726 120.400 -0.009 0.000 2.219 1167 D HA -0.113 4.527 4.640 0.000 0.000 0.205 1167 D C 1.077 177.366 176.300 -0.017 0.000 0.970 1167 D CA 0.708 54.700 54.000 -0.014 0.000 0.851 1167 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 1167 D HN -0.027 nan 8.370 nan 0.000 0.488 1168 L N 0.523 121.737 121.223 -0.014 0.000 2.591 1168 L HA 0.246 4.586 4.340 0.000 0.000 0.228 1168 L C 0.057 176.918 176.870 -0.016 0.000 1.133 1168 L CA 0.472 55.302 54.840 -0.016 0.000 0.880 1168 L CB -0.525 41.528 42.059 -0.010 0.000 1.033 1168 L HN 0.161 nan 8.230 nan 0.000 0.450 1169 I N 0.319 120.880 120.570 -0.015 0.000 2.437 1169 I HA 0.196 4.366 4.170 0.000 0.000 0.279 1169 I C 0.320 176.426 176.117 -0.019 0.000 1.028 1169 I CA -0.351 60.941 61.300 -0.014 0.000 1.142 1169 I CB 1.697 39.693 38.000 -0.007 0.000 1.266 1169 I HN -0.038 nan 8.210 nan 0.000 0.461 1170 K N 6.467 126.851 120.400 -0.027 0.000 2.174 1170 K HA 0.478 4.798 4.320 0.000 0.000 0.275 1170 K C -0.709 175.873 176.600 -0.030 0.000 1.015 1170 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 1170 K CB 1.062 33.530 32.500 -0.053 0.000 1.025 1170 K HN 0.438 nan 8.250 nan 0.000 0.463 1171 I N 4.693 125.246 120.570 -0.029 0.000 2.337 1171 I HA 0.238 4.408 4.170 0.000 0.000 0.285 1171 I C -0.153 175.946 176.117 -0.030 0.000 1.041 1171 I CA -0.407 60.880 61.300 -0.022 0.000 1.199 1171 I CB 0.958 38.949 38.000 -0.016 0.000 1.370 1171 I HN 0.611 nan 8.210 nan 0.000 0.470 1172 E N 6.319 126.500 120.200 -0.031 0.000 2.202 1172 E HA 0.517 4.867 4.350 0.000 0.000 0.272 1172 E C -0.362 176.227 176.600 -0.019 0.000 0.951 1172 E CA -0.643 55.735 56.400 -0.037 0.000 0.813 1172 E CB 2.951 32.615 29.700 -0.062 0.000 1.151 1172 E HN 0.506 nan 8.360 nan 0.000 0.398 1173 K N 0.581 120.970 120.400 -0.018 0.000 2.468 1173 K HA 0.674 4.994 4.320 0.000 0.000 0.252 1173 K C -0.961 175.636 176.600 -0.005 0.000 0.932 1173 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 1173 K CB 2.146 34.638 32.500 -0.014 0.000 1.241 1173 K HN 0.132 nan 8.250 nan 0.000 0.428 1174 K N 1.638 122.043 120.400 0.008 0.000 2.619 1174 K HA 0.187 4.507 4.320 0.000 0.000 0.251 1174 K C -1.085 175.527 176.600 0.020 0.000 0.987 1174 K CA -0.322 55.973 56.287 0.014 0.000 0.844 1174 K CB 1.812 34.328 32.500 0.027 0.000 1.237 1174 K HN 0.835 nan 8.250 nan 0.000 0.447 1175 S N 1.863 117.573 115.700 0.016 0.000 2.576 1175 S HA 0.694 5.164 4.470 0.000 0.000 0.272 1175 S C 0.496 175.111 174.600 0.025 0.000 1.352 1175 S CA 0.326 58.539 58.200 0.022 0.000 1.021 1175 S CB 0.697 63.911 63.200 0.024 0.000 0.887 1175 S HN 1.338 nan 8.310 nan 0.000 0.542 1176 G N -0.109 108.706 108.800 0.026 0.000 2.453 1176 G HA2 0.504 4.464 3.960 0.000 0.000 0.665 1176 G HA3 0.504 4.464 3.960 0.000 0.000 0.665 1176 G C -0.131 174.782 174.900 0.023 0.000 1.411 1176 G CA -0.131 44.984 45.100 0.024 0.000 0.889 1176 G HN 2.322 nan 8.290 nan 0.000 0.651 1177 A N -0.407 122.425 122.820 0.020 0.000 6.088 1177 A HA 0.406 4.726 4.320 0.000 0.000 0.261 1177 A C 1.369 178.964 177.584 0.018 0.000 2.138 1177 A CA 2.038 54.086 52.037 0.017 0.000 0.708 1177 A CB -1.815 17.196 19.000 0.018 0.000 1.068 1177 A HN 2.924 nan 8.150 nan 0.000 0.364 1178 S N -1.508 114.202 115.700 0.017 0.000 2.766 1178 S HA 0.781 5.251 4.470 0.000 0.000 0.307 1178 S C 1.071 175.682 174.600 0.019 0.000 1.121 1178 S CA -0.086 58.125 58.200 0.017 0.000 0.980 1178 S CB 1.089 64.298 63.200 0.014 0.000 1.159 1178 S HN 1.124 nan 8.310 nan 0.000 0.546 1179 I N 0.579 121.161 120.570 0.019 0.000 2.493 1179 I HA -0.093 4.077 4.170 0.000 0.000 0.254 1179 I C 2.166 178.293 176.117 0.017 0.000 1.160 1179 I CA 1.433 62.744 61.300 0.019 0.000 1.445 1179 I CB -0.492 37.520 38.000 0.020 0.000 1.086 1179 I HN 0.780 nan 8.210 nan 0.000 0.433 1180 D N 1.371 121.780 120.400 0.014 0.000 2.182 1180 D HA -0.222 4.418 4.640 0.000 0.000 0.201 1180 D C 1.386 177.694 176.300 0.013 0.000 0.986 1180 D CA 1.377 55.384 54.000 0.012 0.000 0.847 1180 D CB -0.024 40.781 40.800 0.009 0.000 0.942 1180 D HN 0.340 nan 8.370 nan 0.000 0.467 1181 D N -0.884 119.524 120.400 0.015 0.000 2.348 1181 D HA -0.019 4.621 4.640 0.000 0.000 0.216 1181 D C 0.247 176.561 176.300 0.024 0.000 0.970 1181 D CA 0.508 54.518 54.000 0.017 0.000 0.889 1181 D CB -0.067 40.743 40.800 0.017 0.000 0.912 1181 D HN 0.093 nan 8.370 nan 0.000 0.524 1182 T N 1.616 116.185 114.554 0.025 0.000 2.933 1182 T HA 0.099 4.449 4.350 0.000 0.000 0.306 1182 T C 0.271 174.989 174.700 0.031 0.000 1.045 1182 T CA 0.281 62.399 62.100 0.030 0.000 1.143 1182 T CB 0.338 69.221 68.868 0.024 0.000 1.003 1182 T HN 0.312 nan 8.240 nan 0.000 0.540 1183 E N 1.757 121.982 120.200 0.042 0.000 2.408 1183 E HA 0.602 4.952 4.350 0.000 0.000 0.275 1183 E C -1.562 175.070 176.600 0.053 0.000 0.935 1183 E CA -1.175 55.251 56.400 0.044 0.000 0.775 1183 E CB 1.256 30.984 29.700 0.047 0.000 1.277 1183 E HN 0.338 nan 8.360 nan 0.000 0.455 1184 L N 1.966 123.216 121.223 0.044 0.000 2.289 1184 L HA 0.477 4.817 4.340 0.000 0.000 0.285 1184 L C -1.428 175.478 176.870 0.061 0.000 1.049 1184 L CA -0.489 54.377 54.840 0.044 0.000 0.804 1184 L CB 1.061 43.137 42.059 0.028 0.000 1.195 1184 L HN 0.600 nan 8.230 nan 0.000 0.428 1185 I N 5.082 125.696 120.570 0.073 0.000 2.354 1185 I HA 0.289 4.459 4.170 0.000 0.000 0.286 1185 I C 0.206 176.359 176.117 0.060 0.000 1.007 1185 I CA -0.293 61.067 61.300 0.101 0.000 1.167 1185 I CB 1.185 39.291 38.000 0.176 0.000 1.320 1185 I HN 0.522 nan 8.210 nan 0.000 0.458 1186 K N 6.046 126.476 120.400 0.050 0.000 2.054 1186 K HA 0.474 4.794 4.320 0.000 0.000 0.242 1186 K C 0.323 176.941 176.600 0.030 0.000 1.157 1186 K CA 0.258 56.563 56.287 0.030 0.000 1.079 1186 K CB -0.406 32.106 32.500 0.020 0.000 1.331 1186 K HN 0.947 nan 8.250 nan 0.000 0.317 1187 G N 0.567 109.380 108.800 0.022 0.000 2.491 1187 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 1187 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 1187 G C -1.647 173.243 174.900 -0.017 0.000 1.221 1187 G CA -0.647 44.459 45.100 0.010 0.000 0.996 1187 G HN 0.171 nan 8.290 nan 0.000 0.474 1188 V N 0.802 120.691 119.914 -0.041 0.000 2.487 1188 V HA 0.704 4.824 4.120 0.000 0.000 0.298 1188 V C -0.831 175.178 176.094 -0.143 0.000 1.028 1188 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 1188 V CB 1.453 33.184 31.823 -0.153 0.000 0.991 1188 V HN 0.945 nan 8.190 nan 0.000 0.427 1189 L N 7.511 128.614 121.223 -0.201 0.000 2.305 1189 L HA 0.838 5.178 4.340 0.000 0.000 0.284 1189 L C -0.367 176.336 176.870 -0.279 0.000 1.013 1189 L CA -0.174 54.448 54.840 -0.364 0.000 0.819 1189 L CB 1.686 43.432 42.059 -0.522 0.000 1.227 1189 L HN 0.582 nan 8.230 nan 0.000 0.417 1190 V N 1.563 121.326 119.914 -0.252 0.000 2.715 1190 V HA 0.633 4.753 4.120 0.000 0.000 0.310 1190 V C -0.353 175.669 176.094 -0.120 0.000 1.054 1190 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 1190 V CB 1.789 33.548 31.823 -0.106 0.000 1.007 1190 V HN 0.823 nan 8.190 nan 0.000 0.437 1191 D N 1.655 122.009 120.400 -0.076 0.000 3.134 1191 D HA 0.253 4.894 4.640 0.000 0.000 0.248 1191 D C 0.050 176.348 176.300 -0.004 0.000 1.273 1191 D CA -0.187 53.786 54.000 -0.045 0.000 0.904 1191 D CB -0.001 40.775 40.800 -0.040 0.000 1.089 1191 D HN 0.503 nan 8.370 nan 0.000 0.478 1192 K N 0.715 121.127 120.400 0.021 0.000 2.306 1192 K HA 0.413 4.733 4.320 0.000 0.000 0.236 1192 K C 0.525 177.157 176.600 0.053 0.000 1.013 1192 K CA -0.650 55.670 56.287 0.054 0.000 0.857 1192 K CB 2.336 34.904 32.500 0.114 0.000 1.214 1192 K HN 0.359 nan 8.250 nan 0.000 0.449 1193 E N 0.927 121.152 120.200 0.042 0.000 2.359 1193 E HA 0.360 4.710 4.350 0.000 0.000 0.266 1193 E C -0.686 175.919 176.600 0.010 0.000 0.920 1193 E CA -0.934 55.484 56.400 0.030 0.000 0.788 1193 E CB 1.282 30.997 29.700 0.023 0.000 1.279 1193 E HN 0.214 nan 8.360 nan 0.000 0.438 1194 R N 1.372 121.873 120.500 0.002 0.000 2.296 1194 R HA 0.097 4.437 4.340 0.000 0.000 0.323 1194 R C 1.379 177.672 176.300 -0.013 0.000 1.067 1194 R CA 0.230 56.318 56.100 -0.020 0.000 0.946 1194 R CB 0.415 30.705 30.300 -0.018 0.000 0.991 1194 R HN 0.568 nan 8.270 nan 0.000 0.448 1195 V N 0.010 119.912 119.914 -0.020 0.000 2.720 1195 V HA -0.091 4.029 4.120 0.000 0.000 0.256 1195 V C 0.922 177.014 176.094 -0.004 0.000 1.082 1195 V CA 1.150 63.445 62.300 -0.009 0.000 1.101 1195 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 1195 V HN 0.521 nan 8.190 nan 0.000 0.479 1196 S N -1.079 114.618 115.700 -0.005 0.000 2.526 1196 S HA 0.777 5.247 4.470 0.000 0.000 0.293 1196 S C 0.897 175.495 174.600 -0.004 0.000 1.092 1196 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 1196 S CB 1.875 65.083 63.200 0.013 0.000 1.048 1196 S HN 0.708 nan 8.310 nan 0.000 0.483 1197 A N 2.946 125.761 122.820 -0.009 0.000 2.019 1197 A HA -0.082 4.238 4.320 0.000 0.000 0.219 1197 A C 1.907 179.490 177.584 -0.001 0.000 1.164 1197 A CA 1.718 53.751 52.037 -0.006 0.000 0.644 1197 A CB -0.650 18.342 19.000 -0.012 0.000 0.805 1197 A HN 0.901 nan 8.150 nan 0.000 0.449 1198 Q N -1.087 118.716 119.800 0.005 0.000 2.389 1198 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 1198 Q C 0.491 176.503 176.000 0.020 0.000 0.944 1198 Q CA -0.096 55.719 55.803 0.020 0.000 0.908 1198 Q CB -0.098 28.668 28.738 0.046 0.000 1.002 1198 Q HN 0.674 nan 8.270 nan 0.000 0.493 1199 M N 2.283 121.890 119.600 0.011 0.000 2.243 1199 M HA 0.186 4.666 4.480 0.000 0.000 0.341 1199 M C -2.026 174.271 176.300 -0.005 0.000 1.130 1199 M CA -1.788 53.512 55.300 -0.001 0.000 1.162 1199 M CB 0.406 32.998 32.600 -0.014 0.000 1.497 1199 M HN -0.044 nan 8.290 nan 0.000 0.456 1200 P HA 0.007 nan 4.420 nan 0.000 0.266 1200 P C -0.515 176.780 177.300 -0.009 0.000 1.193 1200 P CA 0.312 63.406 63.100 -0.010 0.000 0.770 1200 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 1201 K N 0.946 121.345 120.400 -0.001 0.000 2.367 1201 K HA 0.108 4.428 4.320 0.000 0.000 0.194 1201 K C 0.510 177.117 176.600 0.012 0.000 1.027 1201 K CA 0.350 56.641 56.287 0.006 0.000 1.075 1201 K CB 0.349 32.854 32.500 0.009 0.000 0.845 1201 K HN 0.330 nan 8.250 nan 0.000 0.529 1202 K N 0.972 121.376 120.400 0.006 0.000 2.550 1202 K HA 0.257 4.577 4.320 0.000 0.000 0.252 1202 K C -1.835 174.767 176.600 0.004 0.000 0.943 1202 K CA -0.495 55.798 56.287 0.010 0.000 0.806 1202 K CB 2.086 34.589 32.500 0.005 0.000 1.289 1202 K HN -0.239 nan 8.250 nan 0.000 0.435 1203 V N 2.887 122.807 119.914 0.010 0.000 2.531 1203 V HA 0.448 4.568 4.120 0.000 0.000 0.301 1203 V C -0.278 175.824 176.094 0.013 0.000 1.034 1203 V CA -0.716 61.587 62.300 0.006 0.000 0.865 1203 V CB 1.754 33.578 31.823 0.001 0.000 0.995 1203 V HN 0.936 nan 8.190 nan 0.000 0.424 1204 T N -0.086 114.472 114.554 0.007 0.000 2.859 1204 T HA 0.557 4.907 4.350 0.000 0.000 0.281 1204 T C -0.004 174.700 174.700 0.007 0.000 1.005 1204 T CA -0.333 61.771 62.100 0.007 0.000 1.025 1204 T CB 1.301 70.171 68.868 0.002 0.000 0.977 1204 T HN 0.778 nan 8.240 nan 0.000 0.458 1205 D N 0.665 121.070 120.400 0.008 0.000 2.697 1205 D HA -0.147 4.493 4.640 0.000 0.000 0.238 1205 D C 0.333 176.640 176.300 0.012 0.000 1.152 1205 D CA 0.867 54.872 54.000 0.008 0.000 0.666 1205 D CB -1.225 39.577 40.800 0.003 0.000 1.037 1205 D HN 1.118 nan 8.370 nan 0.000 0.423 1206 A N 1.482 124.314 122.820 0.020 0.000 2.462 1206 A HA 0.408 4.728 4.320 0.000 0.000 0.243 1206 A C 0.492 178.093 177.584 0.029 0.000 1.076 1206 A CA 0.128 52.181 52.037 0.026 0.000 0.773 1206 A CB 0.604 19.631 19.000 0.045 0.000 1.010 1206 A HN 0.160 nan 8.150 nan 0.000 0.493 1207 K N 2.634 123.047 120.400 0.023 0.000 2.389 1207 K HA 0.419 4.739 4.320 0.000 0.000 0.261 1207 K C -1.318 175.303 176.600 0.035 0.000 1.014 1207 K CA -0.163 56.139 56.287 0.024 0.000 0.920 1207 K CB 1.067 33.573 32.500 0.010 0.000 1.149 1207 K HN 0.529 nan 8.250 nan 0.000 0.444 1208 I N 2.074 122.682 120.570 0.063 0.000 2.331 1208 I HA 0.281 4.451 4.170 0.000 0.000 0.292 1208 I C 0.280 176.452 176.117 0.093 0.000 0.998 1208 I CA -0.316 61.049 61.300 0.109 0.000 1.267 1208 I CB 1.612 39.717 38.000 0.176 0.000 1.386 1208 I HN 0.502 nan 8.210 nan 0.000 0.476 1209 A N 7.372 130.247 122.820 0.092 0.000 2.330 1209 A HA 0.857 5.177 4.320 0.000 0.000 0.327 1209 A C -0.763 176.893 177.584 0.120 0.000 1.155 1209 A CA -0.561 51.521 52.037 0.075 0.000 0.803 1209 A CB 0.732 19.752 19.000 0.033 0.000 1.208 1209 A HN 0.674 nan 8.150 nan 0.000 0.477 1210 L N 3.184 124.464 121.223 0.094 0.000 2.324 1210 L HA 0.371 4.711 4.340 0.000 0.000 0.274 1210 L C -1.256 175.652 176.870 0.064 0.000 1.012 1210 L CA -0.551 54.348 54.840 0.098 0.000 0.859 1210 L CB 1.034 43.133 42.059 0.065 0.000 1.224 1210 L HN 0.498 nan 8.230 nan 0.000 0.429 1211 L N 2.767 124.031 121.223 0.068 0.000 2.309 1211 L HA 0.356 4.696 4.340 0.000 0.000 0.282 1211 L C 0.740 177.636 176.870 0.043 0.000 1.036 1211 L CA 0.211 55.078 54.840 0.045 0.000 0.806 1211 L CB 1.491 43.572 42.059 0.036 0.000 1.220 1211 L HN 0.421 nan 8.230 nan 0.000 0.429 1212 N N 0.459 119.177 118.700 0.030 0.000 2.407 1212 N HA 0.007 4.747 4.740 0.000 0.000 0.182 1212 N C 0.126 175.649 175.510 0.022 0.000 1.079 1212 N CA 0.012 53.078 53.050 0.025 0.000 0.882 1212 N CB 0.376 38.874 38.487 0.019 0.000 1.106 1212 N HN 0.587 nan 8.380 nan 0.000 0.461 1213 C N 1.915 121.227 119.300 0.020 0.000 2.585 1213 C HA 0.745 5.205 4.460 0.000 0.000 0.406 1213 C C 0.843 175.845 174.990 0.019 0.000 1.312 1213 C CA -0.959 58.070 59.018 0.018 0.000 1.924 1213 C CB -1.443 26.307 27.740 0.016 0.000 2.578 1213 C HN 0.507 nan 8.230 nan 0.000 0.580 1214 A N 6.293 129.124 122.820 0.018 0.000 2.540 1214 A HA 0.305 4.625 4.320 0.000 0.000 0.239 1214 A C 0.328 177.923 177.584 0.019 0.000 1.061 1214 A CA 0.120 52.168 52.037 0.019 0.000 0.758 1214 A CB -0.046 18.964 19.000 0.017 0.000 0.991 1214 A HN 0.898 nan 8.150 nan 0.000 0.502 1215 I N 2.586 123.168 120.570 0.020 0.000 2.204 1215 I HA 0.135 4.305 4.170 0.000 0.000 0.291 1215 I C -0.058 176.074 176.117 0.025 0.000 1.153 1215 I CA 0.615 61.928 61.300 0.022 0.000 1.546 1215 I CB -0.558 37.455 38.000 0.021 0.000 1.490 1215 I HN 0.627 nan 8.210 nan 0.000 0.697 1216 E N 4.660 124.873 120.200 0.022 0.000 2.302 1216 E HA 0.397 4.747 4.350 0.000 0.000 0.263 1216 E C -0.988 175.623 176.600 0.019 0.000 0.897 1216 E CA -0.599 55.814 56.400 0.021 0.000 0.809 1216 E CB 2.043 31.754 29.700 0.018 0.000 1.270 1216 E HN 0.235 nan 8.360 nan 0.000 0.410 1217 E N 1.902 122.114 120.200 0.020 0.000 2.275 1217 E HA 0.235 4.585 4.350 0.000 0.000 0.270 1217 E C -0.739 175.869 176.600 0.014 0.000 0.882 1217 E CA -0.612 55.798 56.400 0.017 0.000 0.758 1217 E CB 2.270 31.981 29.700 0.019 0.000 1.195 1217 E HN 0.286 nan 8.360 nan 0.000 0.419 1218 T N 1.491 116.052 114.554 0.010 0.000 2.946 1218 T HA 0.358 4.708 4.350 0.000 0.000 0.311 1218 T C 0.180 174.883 174.700 0.005 0.000 1.063 1218 T CA 0.840 62.944 62.100 0.007 0.000 1.139 1218 T CB 0.286 69.157 68.868 0.006 0.000 0.994 1218 T HN 0.732 nan 8.240 nan 0.000 0.547 1219 A N 2.900 125.721 122.820 0.002 0.000 2.435 1219 A HA -0.084 4.236 4.320 0.000 0.000 0.686 1219 A C 1.365 178.945 177.584 -0.006 0.000 0.138 1219 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 1219 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 1219 A HN 0.800 nan 8.150 nan 0.000 0.548 1220 S N 0.523 116.213 115.700 -0.018 0.000 2.406 1220 S HA -0.078 4.392 4.470 0.000 0.000 0.228 1220 S C 1.689 176.262 174.600 -0.045 0.000 1.020 1220 S CA 1.334 59.513 58.200 -0.035 0.000 0.965 1220 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 1220 S HN 0.736 nan 8.310 nan 0.000 0.488 1221 E N 1.136 121.315 120.200 -0.036 0.000 2.072 1221 E HA -0.010 4.340 4.350 0.000 0.000 0.191 1221 E C 1.962 178.558 176.600 -0.006 0.000 0.985 1221 E CA 0.858 57.240 56.400 -0.031 0.000 0.801 1221 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 1221 E HN 0.409 nan 8.360 nan 0.000 0.452 1222 M N 0.013 119.614 119.600 0.000 0.000 2.200 1222 M HA -0.065 4.415 4.480 0.000 0.000 0.265 1222 M C 2.315 178.630 176.300 0.024 0.000 1.066 1222 M CA 0.730 56.037 55.300 0.012 0.000 1.127 1222 M CB -0.810 31.795 32.600 0.009 0.000 1.379 1222 M HN 0.090 nan 8.290 nan 0.000 0.420 1223 L N 0.669 121.906 121.223 0.024 0.000 2.072 1223 L HA -0.069 4.271 4.340 0.000 0.000 0.205 1223 L C 2.120 179.038 176.870 0.079 0.000 1.079 1223 L CA 1.841 56.706 54.840 0.041 0.000 0.752 1223 L CB -0.570 41.510 42.059 0.034 0.000 0.906 1223 L HN 0.162 nan 8.230 nan 0.000 0.436 1224 K N -0.674 119.772 120.400 0.077 0.000 2.283 1224 K HA -0.170 4.150 4.320 0.000 0.000 0.202 1224 K C 1.692 178.419 176.600 0.212 0.000 1.048 1224 K CA 1.084 57.482 56.287 0.185 0.000 0.948 1224 K CB -0.157 32.303 32.500 -0.067 0.000 0.742 1224 K HN 0.315 nan 8.250 nan 0.000 0.458 1225 D N 0.840 121.301 120.400 0.103 0.000 2.117 1225 D HA -0.132 4.508 4.640 0.000 0.000 0.197 1225 D C 1.796 178.135 176.300 0.064 0.000 0.987 1225 D CA 1.102 55.148 54.000 0.077 0.000 0.829 1225 D CB 0.173 40.999 40.800 0.043 0.000 0.961 1225 D HN -0.012 nan 8.370 nan 0.000 0.460 1226 M N -0.043 119.592 119.600 0.058 0.000 2.117 1226 M HA -0.096 4.384 4.480 0.000 0.000 0.262 1226 M C 2.333 178.647 176.300 0.025 0.000 1.065 1226 M CA 0.640 55.963 55.300 0.037 0.000 1.114 1226 M CB -0.879 31.742 32.600 0.036 0.000 1.361 1226 M HN -0.017 nan 8.290 nan 0.000 0.408 1227 V N 0.479 120.420 119.914 0.045 0.000 2.358 1227 V HA -0.193 3.927 4.120 0.000 0.000 0.246 1227 V C 2.717 178.751 176.094 -0.100 0.000 1.047 1227 V CA 1.724 64.008 62.300 -0.027 0.000 1.035 1227 V CB -1.331 30.496 31.823 0.007 0.000 0.658 1227 V HN 0.474 nan 8.190 nan 0.000 0.452 1228 A N -0.463 122.348 122.820 -0.015 0.000 1.933 1228 A HA -0.223 4.097 4.320 0.000 0.000 0.218 1228 A C 2.177 179.746 177.584 -0.025 0.000 1.175 1228 A CA 1.757 53.782 52.037 -0.021 0.000 0.628 1228 A CB -0.420 18.631 19.000 0.085 0.000 0.814 1228 A HN 0.614 nan 8.150 nan 0.000 0.444 1229 E N -0.389 119.808 120.200 -0.006 0.000 2.106 1229 E HA -0.116 4.234 4.350 0.000 0.000 0.192 1229 E C 1.838 178.426 176.600 -0.019 0.000 0.984 1229 E CA 0.991 57.387 56.400 -0.006 0.000 0.806 1229 E CB -0.250 29.453 29.700 0.005 0.000 0.750 1229 E HN 0.709 nan 8.360 nan 0.000 0.458 1230 I N 1.115 121.667 120.570 -0.032 0.000 2.179 1230 I HA -0.281 3.889 4.170 0.000 0.000 0.242 1230 I C 2.485 178.572 176.117 -0.050 0.000 1.088 1230 I CA 1.058 62.335 61.300 -0.038 0.000 1.357 1230 I CB -0.151 37.819 38.000 -0.050 0.000 1.051 1230 I HN -0.021 nan 8.210 nan 0.000 0.409 1231 K N 1.630 121.984 120.400 -0.076 0.000 2.057 1231 K HA -0.124 4.196 4.320 0.000 0.000 0.207 1231 K C 2.038 178.610 176.600 -0.047 0.000 1.049 1231 K CA 1.728 57.968 56.287 -0.079 0.000 0.931 1231 K CB -0.407 32.021 32.500 -0.121 0.000 0.714 1231 K HN 0.276 nan 8.250 nan 0.000 0.440 1232 A N -0.101 122.697 122.820 -0.036 0.000 1.933 1232 A HA -0.121 4.199 4.320 0.000 0.000 0.218 1232 A C 2.177 179.753 177.584 -0.014 0.000 1.175 1232 A CA 2.088 54.114 52.037 -0.019 0.000 0.628 1232 A CB -0.755 18.239 19.000 -0.010 0.000 0.814 1232 A HN 0.365 nan 8.150 nan 0.000 0.444 1233 S N -1.743 113.948 115.700 -0.014 0.000 2.474 1233 S HA 0.248 4.718 4.470 0.000 0.000 0.235 1233 S C 1.509 176.104 174.600 -0.008 0.000 0.997 1233 S CA 1.159 59.354 58.200 -0.008 0.000 0.949 1233 S CB -0.139 63.058 63.200 -0.005 0.000 0.766 1233 S HN 1.678 nan 8.310 nan 0.000 0.517 1234 G N 0.687 109.478 108.800 -0.015 0.000 2.159 1234 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 1234 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 1234 G C 0.108 174.998 174.900 -0.017 0.000 0.986 1234 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 1234 G HN 0.827 nan 8.290 nan 0.000 0.523 1235 A N 0.039 122.846 122.820 -0.021 0.000 2.477 1235 A HA 0.637 4.957 4.320 0.000 0.000 0.246 1235 A C 1.106 178.668 177.584 -0.037 0.000 1.078 1235 A CA 0.721 52.745 52.037 -0.021 0.000 0.770 1235 A CB 0.217 19.205 19.000 -0.020 0.000 1.011 1235 A HN 0.333 nan 8.150 nan 0.000 0.494 1236 N N 0.609 119.290 118.700 -0.032 0.000 2.257 1236 N HA 0.125 4.865 4.740 0.000 0.000 0.200 1236 N C -0.678 174.794 175.510 -0.063 0.000 1.163 1236 N CA 0.448 53.472 53.050 -0.044 0.000 0.891 1236 N CB 1.047 39.516 38.487 -0.029 0.000 1.067 1236 N HN 0.383 nan 8.380 nan 0.000 0.497 1237 V N 2.510 122.387 119.914 -0.062 0.000 2.540 1237 V HA 0.458 4.578 4.120 0.000 0.000 0.302 1237 V C -0.696 175.311 176.094 -0.145 0.000 1.035 1237 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 1237 V CB 2.992 34.781 31.823 -0.058 0.000 0.992 1237 V HN 0.023 nan 8.190 nan 0.000 0.428 1238 L N 5.630 126.681 121.223 -0.287 0.000 2.446 1238 L HA 0.604 4.944 4.340 0.000 0.000 0.268 1238 L C -1.829 174.830 176.870 -0.351 0.000 0.975 1238 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 1238 L CB 1.470 43.456 42.059 -0.123 0.000 1.225 1238 L HN 0.581 nan 8.230 nan 0.000 0.410 1239 F N 4.421 124.369 119.950 -0.004 0.000 2.361 1239 F HA 0.335 4.862 4.527 -0.000 0.000 0.364 1239 F C 0.527 176.325 175.800 -0.004 0.000 1.117 1239 F CA -0.407 57.590 58.000 -0.005 0.000 1.071 1239 F CB 1.346 40.342 39.000 -0.007 0.000 1.188 1239 F HN 0.445 nan 8.300 nan 0.000 0.464 1240 C N 5.262 124.644 119.300 0.137 0.000 2.303 1240 C HA 0.217 4.677 4.460 0.000 0.000 0.326 1240 C C 1.630 176.671 174.990 0.085 0.000 1.285 1240 C CA -0.463 58.605 59.018 0.084 0.000 1.675 1240 C CB 0.642 28.407 27.740 0.042 0.000 2.289 1240 C HN 0.952 nan 8.230 nan 0.000 0.512 1241 Q N 3.200 123.039 119.800 0.066 0.000 2.124 1241 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 1241 Q C 1.088 177.109 176.000 0.035 0.000 0.977 1241 Q CA 1.591 57.421 55.803 0.046 0.000 0.850 1241 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 1241 Q HN 0.704 nan 8.270 nan 0.000 0.429 1242 K N -0.712 119.707 120.400 0.031 0.000 2.842 1242 K HA 0.350 4.670 4.320 0.000 0.000 0.310 1242 K C 0.494 177.109 176.600 0.026 0.000 0.992 1242 K CA 0.058 56.360 56.287 0.024 0.000 1.207 1242 K CB -0.738 31.774 32.500 0.020 0.000 1.478 1242 K HN 0.131 nan 8.250 nan 0.000 0.601 1243 G N 0.261 109.073 108.800 0.021 0.000 2.562 1243 G HA2 0.534 4.494 3.960 0.000 0.000 0.275 1243 G HA3 0.534 4.494 3.960 0.000 0.000 0.275 1243 G C -0.472 174.440 174.900 0.019 0.000 1.196 1243 G CA -0.557 44.554 45.100 0.019 0.000 0.908 1243 G HN 0.313 nan 8.290 nan 0.000 0.524 1244 I N 0.678 121.259 120.570 0.018 0.000 2.478 1244 I HA 0.166 4.336 4.170 0.000 0.000 0.287 1244 I C -0.529 175.601 176.117 0.022 0.000 1.042 1244 I CA -0.766 60.545 61.300 0.019 0.000 1.067 1244 I CB 2.037 40.045 38.000 0.012 0.000 1.233 1244 I HN 0.415 nan 8.210 nan 0.000 0.431 1245 D N 4.932 125.348 120.400 0.027 0.000 2.414 1245 D HA -0.049 4.591 4.640 0.000 0.000 0.242 1245 D C 0.612 176.936 176.300 0.040 0.000 1.129 1245 D CA 0.174 54.193 54.000 0.031 0.000 0.885 1245 D CB 1.341 42.161 40.800 0.033 0.000 1.198 1245 D HN 0.484 nan 8.370 nan 0.000 0.437 1246 D N 2.790 123.212 120.400 0.036 0.000 2.158 1246 D HA -0.185 4.455 4.640 0.000 0.000 0.197 1246 D C 1.771 178.118 176.300 0.079 0.000 0.995 1246 D CA 0.610 54.635 54.000 0.042 0.000 0.846 1246 D CB -0.032 40.782 40.800 0.024 0.000 0.941 1246 D HN 0.454 nan 8.370 nan 0.000 0.456 1247 L N 0.188 121.460 121.223 0.081 0.000 2.056 1247 L HA -0.140 4.200 4.340 0.000 0.000 0.207 1247 L C 2.184 179.136 176.870 0.136 0.000 1.078 1247 L CA 1.419 56.326 54.840 0.112 0.000 0.749 1247 L CB -0.165 41.934 42.059 0.067 0.000 0.901 1247 L HN -0.021 nan 8.230 nan 0.000 0.433 1248 A N -0.638 122.245 122.820 0.105 0.000 1.933 1248 A HA -0.251 4.069 4.320 0.000 0.000 0.218 1248 A C 2.085 179.733 177.584 0.107 0.000 1.175 1248 A CA 1.645 53.748 52.037 0.110 0.000 0.628 1248 A CB -0.486 18.555 19.000 0.069 0.000 0.814 1248 A HN 0.638 nan 8.150 nan 0.000 0.444 1249 Q N -1.416 118.439 119.800 0.093 0.000 2.084 1249 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 1249 Q C 2.050 178.135 176.000 0.142 0.000 0.978 1249 Q CA 1.629 57.479 55.803 0.079 0.000 0.844 1249 Q CB -0.389 28.382 28.738 0.054 0.000 0.898 1249 Q HN 0.944 nan 8.270 nan 0.000 0.426 1250 H N -0.856 118.247 119.070 0.055 0.000 2.293 1250 H HA -0.196 4.360 4.556 0.000 0.000 0.300 1250 H C 1.942 177.350 175.328 0.134 0.000 1.082 1250 H CA 1.175 57.266 56.048 0.070 0.000 1.308 1250 H CB 0.113 29.909 29.762 0.057 0.000 1.375 1250 H HN 0.238 nan 8.280 nan 0.000 0.495 1251 Y N 1.303 121.599 120.300 -0.007 0.000 2.293 1251 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 1251 Y C 2.335 178.214 175.900 -0.036 0.000 1.137 1251 Y CA 0.922 58.966 58.100 -0.094 0.000 1.202 1251 Y CB -0.557 37.854 38.460 -0.082 0.000 0.990 1251 Y HN 0.206 nan 8.280 nan 0.000 0.537 1252 L N -0.577 120.642 121.223 -0.007 0.000 2.042 1252 L HA -0.256 4.084 4.340 0.000 0.000 0.210 1252 L C 2.713 179.543 176.870 -0.066 0.000 1.076 1252 L CA 1.341 56.121 54.840 -0.100 0.000 0.749 1252 L CB -0.882 41.149 42.059 -0.047 0.000 0.893 1252 L HN 0.234 nan 8.230 nan 0.000 0.432 1253 A N -0.163 122.667 122.820 0.017 0.000 1.933 1253 A HA -0.212 4.108 4.320 0.000 0.000 0.218 1253 A C 2.290 179.893 177.584 0.031 0.000 1.175 1253 A CA 1.580 53.638 52.037 0.036 0.000 0.628 1253 A CB -0.317 18.740 19.000 0.094 0.000 0.814 1253 A HN 0.330 nan 8.150 nan 0.000 0.444 1254 K N -0.405 120.024 120.400 0.048 0.000 2.211 1254 K HA -0.067 4.253 4.320 0.000 0.000 0.203 1254 K C 1.135 177.720 176.600 -0.024 0.000 1.050 1254 K CA 1.107 57.422 56.287 0.046 0.000 0.945 1254 K CB 0.025 32.605 32.500 0.133 0.000 0.732 1254 K HN 0.390 nan 8.250 nan 0.000 0.451 1255 E N -0.398 119.729 120.200 -0.122 0.000 2.479 1255 E HA 0.027 4.377 4.350 0.000 0.000 0.193 1255 E C 0.808 177.349 176.600 -0.097 0.000 1.049 1255 E CA 0.379 56.684 56.400 -0.158 0.000 0.870 1255 E CB 0.745 30.262 29.700 -0.305 0.000 0.944 1255 E HN 0.447 nan 8.360 nan 0.000 0.492 1256 G N 2.044 110.804 108.800 -0.066 0.000 2.160 1256 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 1256 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 1256 G C 0.235 175.100 174.900 -0.058 0.000 1.008 1256 G CA 0.179 45.251 45.100 -0.046 0.000 0.724 1256 G HN 0.265 nan 8.290 nan 0.000 0.514 1257 I N 0.935 121.459 120.570 -0.078 0.000 2.331 1257 I HA 0.438 4.608 4.170 0.000 0.000 0.292 1257 I C 0.983 177.050 176.117 -0.083 0.000 0.998 1257 I CA -1.155 60.093 61.300 -0.087 0.000 1.267 1257 I CB 1.633 39.568 38.000 -0.108 0.000 1.386 1257 I HN 0.144 nan 8.210 nan 0.000 0.476 1258 V N 3.746 123.602 119.914 -0.096 0.000 2.509 1258 V HA 0.915 5.035 4.120 0.000 0.000 0.284 1258 V C 0.049 176.034 176.094 -0.181 0.000 1.047 1258 V CA -0.260 61.971 62.300 -0.115 0.000 0.952 1258 V CB 1.162 32.920 31.823 -0.108 0.000 0.988 1258 V HN 0.829 nan 8.190 nan 0.000 0.469 1259 A N 3.604 126.322 122.820 -0.169 0.000 2.515 1259 A HA 1.007 5.327 4.320 0.000 0.000 0.298 1259 A C -0.350 177.131 177.584 -0.172 0.000 1.059 1259 A CA -0.298 51.621 52.037 -0.197 0.000 0.698 1259 A CB 1.858 20.790 19.000 -0.113 0.000 1.289 1259 A HN 2.349 nan 8.150 nan 0.000 0.404 1260 A N 1.760 124.463 122.820 -0.195 0.000 2.374 1260 A HA 0.772 5.092 4.320 0.000 0.000 0.305 1260 A C -0.081 177.505 177.584 0.003 0.000 1.053 1260 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 1260 A CB 0.931 19.915 19.000 -0.027 0.000 1.229 1260 A HN 1.236 nan 8.150 nan 0.000 0.431 1261 R N 1.663 122.174 120.500 0.020 0.000 2.607 1261 R HA 0.734 5.074 4.340 0.000 0.000 0.261 1261 R C -0.401 175.927 176.300 0.046 0.000 1.051 1261 R CA -0.787 55.333 56.100 0.033 0.000 1.110 1261 R CB 0.446 30.758 30.300 0.020 0.000 1.158 1261 R HN 0.523 nan 8.270 nan 0.000 0.543 1262 R N -0.893 119.631 120.500 0.040 0.000 3.525 1262 R HA -0.109 4.231 4.340 0.000 0.000 0.276 1262 R C -0.745 175.580 176.300 0.041 0.000 1.116 1262 R CA 0.538 56.658 56.100 0.033 0.000 0.745 1262 R CB -2.608 27.707 30.300 0.024 0.000 1.185 1262 R HN 0.534 nan 8.270 nan 0.000 0.454 1263 V N 1.492 121.443 119.914 0.061 0.000 2.572 1263 V HA 0.049 4.169 4.120 0.000 0.000 0.291 1263 V C 1.474 177.582 176.094 0.023 0.000 1.039 1263 V CA -0.174 62.165 62.300 0.065 0.000 1.055 1263 V CB 1.236 33.133 31.823 0.123 0.000 0.969 1263 V HN 0.147 nan 8.190 nan 0.000 0.482 1264 K N 3.484 123.883 120.400 -0.001 0.000 2.484 1264 K HA -0.046 4.275 4.320 0.000 0.000 0.280 1264 K C 1.203 177.791 176.600 -0.021 0.000 1.013 1264 K CA -0.136 56.142 56.287 -0.014 0.000 1.029 1264 K CB 0.423 32.906 32.500 -0.027 0.000 0.902 1264 K HN 0.607 nan 8.250 nan 0.000 0.481 1265 K N 2.349 122.741 120.400 -0.014 0.000 2.103 1265 K HA -0.168 4.152 4.320 0.000 0.000 0.207 1265 K C 1.889 178.474 176.600 -0.026 0.000 1.048 1265 K CA 2.048 58.327 56.287 -0.014 0.000 0.930 1265 K CB -0.408 32.087 32.500 -0.008 0.000 0.716 1265 K HN 0.577 nan 8.250 nan 0.000 0.444 1266 S N 0.247 115.928 115.700 -0.030 0.000 2.368 1266 S HA -0.144 4.326 4.470 0.000 0.000 0.225 1266 S C 1.338 175.903 174.600 -0.058 0.000 1.030 1266 S CA 1.655 59.833 58.200 -0.038 0.000 0.999 1266 S CB -0.466 62.713 63.200 -0.035 0.000 0.844 1266 S HN 0.394 nan 8.310 nan 0.000 0.459 1267 D N 0.846 121.203 120.400 -0.072 0.000 2.218 1267 D HA -0.036 4.604 4.640 0.000 0.000 0.204 1267 D C 1.946 178.157 176.300 -0.148 0.000 0.976 1267 D CA 0.794 54.725 54.000 -0.116 0.000 0.853 1267 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 1267 D HN 0.390 nan 8.370 nan 0.000 0.481 1268 M N 0.343 119.882 119.600 -0.101 0.000 2.117 1268 M HA -0.105 4.375 4.480 0.000 0.000 0.262 1268 M C 2.023 178.278 176.300 -0.075 0.000 1.065 1268 M CA 1.013 56.261 55.300 -0.087 0.000 1.114 1268 M CB -0.776 31.805 32.600 -0.032 0.000 1.361 1268 M HN 0.047 nan 8.290 nan 0.000 0.408 1269 E N 0.994 121.159 120.200 -0.059 0.000 2.150 1269 E HA -0.155 4.195 4.350 0.000 0.000 0.193 1269 E C 1.776 178.342 176.600 -0.057 0.000 0.985 1269 E CA 1.041 57.414 56.400 -0.046 0.000 0.814 1269 E CB 0.085 29.764 29.700 -0.034 0.000 0.752 1269 E HN 0.488 nan 8.360 nan 0.000 0.466 1270 K N 0.201 120.554 120.400 -0.077 0.000 2.057 1270 K HA -0.070 4.250 4.320 0.000 0.000 0.206 1270 K C 2.422 178.963 176.600 -0.098 0.000 1.050 1270 K CA 0.996 57.233 56.287 -0.083 0.000 0.935 1270 K CB -0.102 32.339 32.500 -0.099 0.000 0.715 1270 K HN 0.157 nan 8.250 nan 0.000 0.439 1271 L N 0.523 121.659 121.223 -0.144 0.000 2.093 1271 L HA -0.153 4.187 4.340 0.000 0.000 0.208 1271 L C 2.579 179.402 176.870 -0.079 0.000 1.085 1271 L CA 0.936 55.679 54.840 -0.161 0.000 0.755 1271 L CB -0.524 41.360 42.059 -0.292 0.000 0.904 1271 L HN 0.199 nan 8.230 nan 0.000 0.435 1272 A N -0.221 122.565 122.820 -0.057 0.000 1.898 1272 A HA -0.167 4.153 4.320 0.000 0.000 0.216 1272 A C 2.350 179.925 177.584 -0.015 0.000 1.181 1272 A CA 1.349 53.372 52.037 -0.024 0.000 0.620 1272 A CB -0.245 18.743 19.000 -0.019 0.000 0.819 1272 A HN 0.172 nan 8.150 nan 0.000 0.442 1273 K N -0.138 120.249 120.400 -0.022 0.000 2.057 1273 K HA -0.012 4.308 4.320 0.000 0.000 0.206 1273 K C 2.316 178.915 176.600 -0.003 0.000 1.050 1273 K CA 1.290 57.570 56.287 -0.011 0.000 0.935 1273 K CB -0.682 31.809 32.500 -0.016 0.000 0.715 1273 K HN 0.442 nan 8.250 nan 0.000 0.439 1274 A N 1.240 124.050 122.820 -0.016 0.000 1.832 1274 A HA -0.139 4.181 4.320 0.000 0.000 0.214 1274 A C 2.337 179.924 177.584 0.005 0.000 1.200 1274 A CA 2.616 54.648 52.037 -0.009 0.000 0.610 1274 A CB -1.072 17.910 19.000 -0.030 0.000 0.842 1274 A HN 0.475 nan 8.150 nan 0.000 0.444 1275 T N -4.206 110.348 114.554 -0.000 0.000 3.043 1275 T HA 0.364 4.714 4.350 0.000 0.000 0.263 1275 T C 1.419 176.134 174.700 0.025 0.000 1.094 1275 T CA 1.221 63.331 62.100 0.015 0.000 1.127 1275 T CB -0.128 68.754 68.868 0.023 0.000 0.905 1275 T HN 1.861 nan 8.240 nan 0.000 0.490 1276 G N 1.392 110.204 108.800 0.021 0.000 2.147 1276 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 1276 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 1276 G C 0.216 175.129 174.900 0.022 0.000 1.005 1276 G CA -0.037 45.078 45.100 0.024 0.000 0.713 1276 G HN 1.171 nan 8.290 nan 0.000 0.515 1277 A N -0.413 122.419 122.820 0.020 0.000 2.371 1277 A HA 0.643 4.963 4.320 0.000 0.000 0.257 1277 A C 0.385 177.980 177.584 0.019 0.000 1.089 1277 A CA 0.281 52.334 52.037 0.026 0.000 0.794 1277 A CB 0.521 19.544 19.000 0.038 0.000 1.029 1277 A HN 0.756 nan 8.150 nan 0.000 0.488 1278 N N 1.276 119.989 118.700 0.022 0.000 2.424 1278 N HA 0.369 5.109 4.740 0.000 0.000 0.271 1278 N C -0.917 174.604 175.510 0.020 0.000 0.985 1278 N CA -0.344 52.715 53.050 0.016 0.000 0.921 1278 N CB 1.274 39.770 38.487 0.015 0.000 1.149 1278 N HN 0.280 nan 8.380 nan 0.000 0.492 1279 V N 4.929 124.851 119.914 0.014 0.000 2.446 1279 V HA 0.148 4.268 4.120 0.000 0.000 0.276 1279 V C 0.480 176.584 176.094 0.016 0.000 1.030 1279 V CA -0.169 62.141 62.300 0.016 0.000 1.033 1279 V CB -0.837 30.991 31.823 0.009 0.000 0.993 1279 V HN 0.579 nan 8.190 nan 0.000 0.477 1280 I N 2.371 122.952 120.570 0.020 0.000 2.603 1280 I HA 0.633 4.803 4.170 0.000 0.000 0.300 1280 I C 0.663 176.790 176.117 0.016 0.000 1.017 1280 I CA 0.108 61.418 61.300 0.016 0.000 1.098 1280 I CB 1.964 39.974 38.000 0.017 0.000 1.279 1280 I HN 0.341 nan 8.210 nan 0.000 0.437 1281 T N 1.393 115.955 114.554 0.013 0.000 2.815 1281 T HA 0.091 4.441 4.350 0.000 0.000 0.244 1281 T C 0.728 175.435 174.700 0.013 0.000 1.040 1281 T CA 0.873 62.981 62.100 0.013 0.000 1.176 1281 T CB -0.259 68.615 68.868 0.010 0.000 0.880 1281 T HN 0.677 nan 8.240 nan 0.000 0.414 1282 N N 1.123 119.830 118.700 0.012 0.000 2.472 1282 N HA 0.240 4.980 4.740 0.000 0.000 0.277 1282 N C 0.873 176.390 175.510 0.012 0.000 1.081 1282 N CA -0.129 52.928 53.050 0.011 0.000 0.973 1282 N CB 0.676 39.169 38.487 0.010 0.000 1.105 1282 N HN 0.175 nan 8.380 nan 0.000 0.470 1283 I N 2.351 122.928 120.570 0.012 0.000 2.361 1283 I HA -0.248 3.922 4.170 0.000 0.000 0.251 1283 I C 2.020 178.143 176.117 0.010 0.000 1.133 1283 I CA 0.856 62.163 61.300 0.012 0.000 1.413 1283 I CB -0.041 37.967 38.000 0.013 0.000 1.073 1283 I HN 0.510 nan 8.210 nan 0.000 0.424 1284 K N 1.389 121.796 120.400 0.010 0.000 2.103 1284 K HA -0.222 4.098 4.320 0.000 0.000 0.207 1284 K C 1.332 177.937 176.600 0.008 0.000 1.048 1284 K CA 1.782 58.075 56.287 0.009 0.000 0.930 1284 K CB -0.231 32.275 32.500 0.009 0.000 0.716 1284 K HN 0.252 nan 8.250 nan 0.000 0.444 1285 D N -0.511 119.895 120.400 0.009 0.000 2.277 1285 D HA -0.029 4.611 4.640 0.000 0.000 0.208 1285 D C -0.170 176.135 176.300 0.009 0.000 0.962 1285 D CA 0.173 54.178 54.000 0.008 0.000 0.865 1285 D CB -0.012 40.793 40.800 0.009 0.000 0.939 1285 D HN 0.089 nan 8.370 nan 0.000 0.510 1286 L N 1.171 122.400 121.223 0.009 0.000 2.601 1286 L HA 0.103 4.444 4.340 0.000 0.000 0.277 1286 L C 0.160 177.034 176.870 0.007 0.000 1.219 1286 L CA 0.310 55.156 54.840 0.009 0.000 0.915 1286 L CB 0.047 42.111 42.059 0.009 0.000 1.160 1286 L HN -0.008 nan 8.230 nan 0.000 0.494 1287 S N 3.293 118.998 115.700 0.008 0.000 2.661 1287 S HA 0.788 5.258 4.470 0.000 0.000 0.285 1287 S C 0.774 175.378 174.600 0.007 0.000 1.138 1287 S CA -0.393 57.811 58.200 0.006 0.000 0.855 1287 S CB 1.271 64.474 63.200 0.006 0.000 1.136 1287 S HN 0.842 nan 8.310 nan 0.000 0.484 1288 A N 0.558 123.381 122.820 0.005 0.000 1.978 1288 A HA -0.082 4.238 4.320 0.000 0.000 0.220 1288 A C 1.991 179.581 177.584 0.009 0.000 1.170 1288 A CA 1.348 53.389 52.037 0.006 0.000 0.636 1288 A CB -0.868 18.135 19.000 0.004 0.000 0.810 1288 A HN 0.735 nan 8.150 nan 0.000 0.448 1289 Q N 0.059 119.865 119.800 0.009 0.000 2.437 1289 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 1289 Q C 0.573 176.581 176.000 0.013 0.000 0.972 1289 Q CA 1.063 56.873 55.803 0.011 0.000 0.903 1289 Q CB -0.215 28.529 28.738 0.009 0.000 0.967 1289 Q HN 0.671 nan 8.270 nan 0.000 0.486 1290 D N -0.408 120.000 120.400 0.014 0.000 2.354 1290 D HA 0.021 4.661 4.640 0.000 0.000 0.209 1290 D C 0.070 176.384 176.300 0.022 0.000 1.015 1290 D CA 0.013 54.023 54.000 0.017 0.000 0.867 1290 D CB 0.465 41.274 40.800 0.016 0.000 0.933 1290 D HN 0.104 nan 8.370 nan 0.000 0.520 1291 L N 0.926 122.162 121.223 0.022 0.000 2.397 1291 L HA 0.369 4.709 4.340 0.000 0.000 0.271 1291 L C 1.218 178.106 176.870 0.030 0.000 1.148 1291 L CA -0.101 54.755 54.840 0.028 0.000 0.825 1291 L CB 1.159 43.231 42.059 0.022 0.000 1.117 1291 L HN -0.176 nan 8.230 nan 0.000 0.456 1292 G N 1.069 109.892 108.800 0.038 0.000 2.491 1292 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 1292 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 1292 G C -1.329 173.594 174.900 0.038 0.000 1.189 1292 G CA -0.414 44.708 45.100 0.037 0.000 0.956 1292 G HN 0.570 nan 8.290 nan 0.000 0.491 1293 D N -0.688 119.732 120.400 0.033 0.000 2.350 1293 D HA 0.651 5.291 4.640 0.000 0.000 0.245 1293 D C -0.201 176.115 176.300 0.026 0.000 1.036 1293 D CA 0.140 54.157 54.000 0.027 0.000 0.848 1293 D CB 2.008 42.819 40.800 0.018 0.000 1.307 1293 D HN 0.611 nan 8.370 nan 0.000 0.469 1294 A N 0.647 123.485 122.820 0.030 0.000 2.488 1294 A HA 0.624 4.944 4.320 0.000 0.000 0.298 1294 A C 0.999 178.598 177.584 0.026 0.000 1.044 1294 A CA -0.498 51.557 52.037 0.031 0.000 0.693 1294 A CB 1.509 20.542 19.000 0.055 0.000 1.272 1294 A HN 0.585 nan 8.150 nan 0.000 0.402 1295 G N 0.622 109.431 108.800 0.015 0.000 2.408 1295 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 1295 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 1295 G C 0.393 175.304 174.900 0.020 0.000 1.150 1295 G CA 0.887 45.993 45.100 0.010 0.000 0.776 1295 G HN 0.612 nan 8.290 nan 0.000 0.542 1296 L N 0.263 121.506 121.223 0.033 0.000 2.436 1296 L HA 0.523 4.863 4.340 0.000 0.000 0.268 1296 L C -1.383 175.533 176.870 0.077 0.000 0.974 1296 L CA -0.806 54.059 54.840 0.043 0.000 0.826 1296 L CB 3.083 45.161 42.059 0.032 0.000 1.291 1296 L HN -0.222 nan 8.230 nan 0.000 0.406 1297 V N 2.467 122.429 119.914 0.080 0.000 2.409 1297 V HA 0.493 4.613 4.120 0.000 0.000 0.290 1297 V C -0.579 175.574 176.094 0.098 0.000 1.017 1297 V CA -0.442 61.929 62.300 0.118 0.000 0.841 1297 V CB 1.834 33.728 31.823 0.119 0.000 1.003 1297 V HN 0.783 nan 8.190 nan 0.000 0.426 1298 E N 3.037 123.320 120.200 0.138 0.000 2.343 1298 E HA 0.394 4.744 4.350 0.000 0.000 0.278 1298 E C -1.156 175.545 176.600 0.168 0.000 0.910 1298 E CA -0.659 55.806 56.400 0.108 0.000 0.757 1298 E CB 2.352 32.086 29.700 0.057 0.000 1.218 1298 E HN 0.747 nan 8.360 nan 0.000 0.435 1299 E N 4.130 124.398 120.200 0.113 0.000 2.152 1299 E HA 0.251 4.601 4.350 0.000 0.000 0.285 1299 E C -0.942 175.725 176.600 0.112 0.000 1.043 1299 E CA -0.255 56.221 56.400 0.127 0.000 0.839 1299 E CB 0.672 30.416 29.700 0.072 0.000 1.069 1299 E HN 0.321 nan 8.360 nan 0.000 0.399 1300 R N 3.669 124.276 120.500 0.178 0.000 2.686 1300 R HA 0.386 4.726 4.340 0.000 0.000 0.286 1300 R C -0.739 175.647 176.300 0.144 0.000 0.969 1300 R CA -0.911 55.252 56.100 0.105 0.000 0.898 1300 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 1300 R HN 0.318 nan 8.270 nan 0.000 0.456 1301 K N 2.420 122.865 120.400 0.076 0.000 2.211 1301 K HA 0.380 4.700 4.320 0.000 0.000 0.275 1301 K C -0.672 175.970 176.600 0.071 0.000 1.024 1301 K CA -0.468 55.863 56.287 0.073 0.000 0.887 1301 K CB 1.097 33.622 32.500 0.043 0.000 1.084 1301 K HN 0.295 nan 8.250 nan 0.000 0.463 1302 I N 2.040 122.664 120.570 0.090 0.000 2.390 1302 I HA 0.069 4.239 4.170 0.000 0.000 0.283 1302 I C -0.029 176.120 176.117 0.054 0.000 1.016 1302 I CA -0.063 61.284 61.300 0.078 0.000 1.151 1302 I CB 1.662 39.733 38.000 0.120 0.000 1.293 1302 I HN 0.593 nan 8.210 nan 0.000 0.458 1303 S N 4.346 120.069 115.700 0.039 0.000 3.698 1303 S HA -0.178 4.292 4.470 0.000 0.000 0.338 1303 S C 1.313 175.930 174.600 0.028 0.000 1.089 1303 S CA 0.976 59.193 58.200 0.030 0.000 0.991 1303 S CB -1.411 61.806 63.200 0.029 0.000 0.909 1303 S HN 1.455 nan 8.310 nan 0.000 0.485 1304 G N 0.641 109.458 108.800 0.029 0.000 2.579 1304 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 1304 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 1304 G C -0.350 174.569 174.900 0.032 0.000 1.201 1304 G CA 0.108 45.224 45.100 0.026 0.000 0.710 1304 G HN 0.614 nan 8.290 nan 0.000 0.516 1305 D N 2.482 122.903 120.400 0.034 0.000 2.401 1305 D HA 0.435 5.075 4.640 0.000 0.000 0.254 1305 D C 1.041 177.373 176.300 0.054 0.000 1.192 1305 D CA 0.989 55.011 54.000 0.036 0.000 0.885 1305 D CB 1.235 42.053 40.800 0.030 0.000 1.147 1305 D HN 0.687 nan 8.370 nan 0.000 0.478 1306 S N 2.598 118.329 115.700 0.052 0.000 2.565 1306 S HA 0.584 5.054 4.470 0.000 0.000 0.274 1306 S C 0.103 174.748 174.600 0.074 0.000 1.309 1306 S CA -0.666 57.578 58.200 0.072 0.000 1.043 1306 S CB 1.290 64.524 63.200 0.057 0.000 0.939 1306 S HN 0.397 nan 8.310 nan 0.000 0.504 1307 M N 2.060 121.730 119.600 0.117 0.000 2.593 1307 M HA 0.508 4.988 4.480 0.000 0.000 0.290 1307 M C -1.238 175.137 176.300 0.124 0.000 1.244 1307 M CA -0.593 54.745 55.300 0.064 0.000 0.857 1307 M CB 2.240 34.823 32.600 -0.027 0.000 1.738 1307 M HN 0.566 nan 8.290 nan 0.000 0.461 1308 I N 1.663 122.252 120.570 0.032 0.000 2.339 1308 I HA 0.373 4.543 4.170 0.000 0.000 0.290 1308 I C -1.363 174.752 176.117 -0.004 0.000 0.994 1308 I CA -0.369 61.011 61.300 0.133 0.000 1.191 1308 I CB 0.917 39.043 38.000 0.211 0.000 1.343 1308 I HN 0.425 nan 8.210 nan 0.000 0.458 1309 F N 5.910 125.906 119.950 0.075 0.000 2.405 1309 F HA 0.365 4.892 4.527 0.000 0.000 0.355 1309 F C 0.193 176.036 175.800 0.071 0.000 1.121 1309 F CA -0.735 57.297 58.000 0.053 0.000 1.112 1309 F CB 1.378 40.397 39.000 0.032 0.000 1.126 1309 F HN 0.031 nan 8.300 nan 0.000 0.481 1310 V N 4.354 124.370 119.914 0.170 0.000 2.275 1310 V HA 0.316 4.436 4.120 0.000 0.000 0.272 1310 V C -0.303 175.850 176.094 0.099 0.000 1.028 1310 V CA -0.578 61.800 62.300 0.131 0.000 0.810 1310 V CB 0.252 32.118 31.823 0.070 0.000 1.043 1310 V HN 0.806 nan 8.190 nan 0.000 0.453 1311 E N 2.998 123.263 120.200 0.110 0.000 2.378 1311 E HA 0.679 5.029 4.350 0.000 0.000 0.265 1311 E C -0.618 176.009 176.600 0.046 0.000 0.932 1311 E CA -0.889 55.561 56.400 0.082 0.000 0.795 1311 E CB 1.700 31.463 29.700 0.106 0.000 1.296 1311 E HN 0.207 nan 8.360 nan 0.000 0.438 1312 E N -0.840 119.375 120.200 0.025 0.000 2.596 1312 E HA -0.147 4.203 4.350 0.000 0.000 0.272 1312 E C -0.663 175.929 176.600 -0.014 0.000 1.039 1312 E CA 0.513 56.914 56.400 0.001 0.000 0.804 1312 E CB -2.238 27.463 29.700 0.002 0.000 1.373 1312 E HN 0.597 nan 8.360 nan 0.000 0.404 1313 C N 0.711 120.004 119.300 -0.012 0.000 2.689 1313 C HA 0.068 4.528 4.460 0.000 0.000 0.409 1313 C C 2.296 177.239 174.990 -0.079 0.000 1.293 1313 C CA -0.079 58.925 59.018 -0.024 0.000 2.136 1313 C CB 0.444 28.180 27.740 -0.007 0.000 2.719 1313 C HN 0.384 nan 8.230 nan 0.000 0.644 1314 K N 0.618 120.954 120.400 -0.107 0.000 1.969 1314 K HA -0.090 4.230 4.320 0.000 0.000 0.216 1314 K C 0.416 176.714 176.600 -0.502 0.000 1.048 1314 K CA 1.379 57.498 56.287 -0.279 0.000 0.948 1314 K CB -0.087 32.303 32.500 -0.182 0.000 0.726 1314 K HN 0.686 nan 8.250 nan 0.000 0.442 1315 H N 0.195 119.269 119.070 0.006 0.000 2.488 1315 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 1315 H C -2.535 172.794 175.328 0.001 0.000 1.395 1315 H CA -1.997 54.053 56.048 0.003 0.000 1.491 1315 H CB 0.750 30.513 29.762 0.002 0.000 1.567 1315 H HN 0.192 nan 8.280 nan 0.000 0.508 1316 P HA 0.133 nan 4.420 nan 0.000 0.275 1316 P C 0.267 177.591 177.300 0.040 0.000 1.227 1316 P CA -0.512 62.611 63.100 0.038 0.000 0.781 1316 P CB 1.807 33.516 31.700 0.014 0.000 0.906 1317 K N 0.665 121.080 120.400 0.024 0.000 2.374 1317 K HA 0.450 4.770 4.320 0.000 0.000 0.202 1317 K C 0.283 176.885 176.600 0.002 0.000 1.040 1317 K CA 0.038 56.334 56.287 0.015 0.000 1.085 1317 K CB 0.696 33.203 32.500 0.011 0.000 0.873 1317 K HN 0.534 nan 8.250 nan 0.000 0.539 1318 A N 0.523 123.341 122.820 -0.004 0.000 2.449 1318 A HA 0.686 5.006 4.320 0.000 0.000 0.302 1318 A C -0.901 176.675 177.584 -0.014 0.000 1.048 1318 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 1318 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 1318 A HN -0.004 nan 8.150 nan 0.000 0.410 1319 V N -1.152 118.753 119.914 -0.014 0.000 3.074 1319 V HA 0.978 5.098 4.120 0.000 0.000 0.314 1319 V C -0.427 175.655 176.094 -0.020 0.000 1.117 1319 V CA -0.586 61.708 62.300 -0.010 0.000 1.014 1319 V CB 1.658 33.482 31.823 0.002 0.000 1.057 1319 V HN 0.880 nan 8.190 nan 0.000 0.438 1320 T N 3.299 117.843 114.554 -0.016 0.000 2.886 1320 T HA 0.633 4.983 4.350 0.000 0.000 0.292 1320 T C -0.558 174.141 174.700 -0.003 0.000 1.012 1320 T CA -0.353 61.730 62.100 -0.028 0.000 0.982 1320 T CB 1.493 70.320 68.868 -0.068 0.000 1.018 1320 T HN 0.748 nan 8.240 nan 0.000 0.451 1321 M N 3.402 123.000 119.600 -0.005 0.000 2.072 1321 M HA 0.382 4.862 4.480 0.000 0.000 0.331 1321 M C -0.955 175.352 176.300 0.011 0.000 1.004 1321 M CA -0.905 54.403 55.300 0.013 0.000 0.952 1321 M CB 1.322 33.928 32.600 0.010 0.000 1.511 1321 M HN 0.343 nan 8.290 nan 0.000 0.422 1322 L N 5.789 127.034 121.223 0.036 0.000 2.315 1322 L HA 0.465 4.805 4.340 0.000 0.000 0.283 1322 L C -0.795 176.100 176.870 0.042 0.000 1.089 1322 L CA 0.250 55.115 54.840 0.042 0.000 0.833 1322 L CB 0.248 42.370 42.059 0.105 0.000 1.170 1322 L HN 0.557 nan 8.230 nan 0.000 0.442 1323 I N 6.031 126.617 120.570 0.026 0.000 2.331 1323 I HA 0.391 4.561 4.170 0.000 0.000 0.292 1323 I C 0.337 176.470 176.117 0.027 0.000 0.998 1323 I CA -0.419 60.895 61.300 0.023 0.000 1.267 1323 I CB 0.731 38.739 38.000 0.013 0.000 1.386 1323 I HN 0.610 nan 8.210 nan 0.000 0.476 1324 R N 3.702 124.219 120.500 0.029 0.000 2.828 1324 R HA 0.897 5.237 4.340 0.000 0.000 0.264 1324 R C -0.349 175.966 176.300 0.024 0.000 1.022 1324 R CA -0.969 55.148 56.100 0.028 0.000 1.021 1324 R CB 2.205 32.524 30.300 0.031 0.000 1.163 1324 R HN 0.843 nan 8.270 nan 0.000 0.494 1325 G N -0.775 108.040 108.800 0.024 0.000 2.340 1325 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 1325 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 1325 G C 0.033 174.949 174.900 0.027 0.000 1.498 1325 G CA -0.677 44.438 45.100 0.025 0.000 0.847 1325 G HN 0.398 nan 8.290 nan 0.000 0.594 1326 T N 0.343 114.913 114.554 0.028 0.000 2.881 1326 T HA 0.159 4.509 4.350 0.000 0.000 0.270 1326 T C 0.917 175.638 174.700 0.035 0.000 1.068 1326 T CA 2.098 64.214 62.100 0.028 0.000 1.131 1326 T CB -0.179 68.704 68.868 0.025 0.000 0.871 1326 T HN 0.674 nan 8.240 nan 0.000 0.479 1327 T N 0.176 114.757 114.554 0.045 0.000 2.868 1327 T HA 0.230 4.580 4.350 0.000 0.000 0.306 1327 T C 0.358 175.098 174.700 0.067 0.000 1.224 1327 T CA -0.798 61.341 62.100 0.065 0.000 1.012 1327 T CB 2.435 71.352 68.868 0.082 0.000 1.221 1327 T HN -0.179 nan 8.240 nan 0.000 0.499 1328 E N 0.650 120.889 120.200 0.066 0.000 2.097 1328 E HA -0.180 4.170 4.350 0.000 0.000 0.196 1328 E C 1.565 178.139 176.600 -0.044 0.000 1.000 1328 E CA 1.823 58.222 56.400 -0.002 0.000 0.804 1328 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 1328 E HN 0.605 nan 8.360 nan 0.000 0.454 1329 H N -0.494 118.580 119.070 0.007 0.000 2.457 1329 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 1329 H C 2.120 177.452 175.328 0.007 0.000 1.064 1329 H CA 0.954 57.006 56.048 0.006 0.000 1.330 1329 H CB 0.113 29.878 29.762 0.005 0.000 1.395 1329 H HN -0.061 nan 8.280 nan 0.000 0.541 1330 V N 1.277 121.264 119.914 0.120 0.000 2.323 1330 V HA -0.194 3.926 4.120 0.000 0.000 0.244 1330 V C 2.319 178.438 176.094 0.042 0.000 1.041 1330 V CA 1.804 64.146 62.300 0.070 0.000 1.025 1330 V CB -0.471 31.385 31.823 0.055 0.000 0.656 1330 V HN 0.544 nan 8.190 nan 0.000 0.451 1331 I N -1.726 118.861 120.570 0.029 0.000 2.830 1331 I HA -0.099 4.071 4.170 0.000 0.000 0.263 1331 I C 2.108 178.226 176.117 0.000 0.000 1.230 1331 I CA 1.426 62.734 61.300 0.013 0.000 1.480 1331 I CB -0.578 37.427 38.000 0.008 0.000 1.095 1331 I HN 0.303 nan 8.210 nan 0.000 0.455 1332 E N 1.489 121.683 120.200 -0.009 0.000 2.072 1332 E HA -0.247 4.103 4.350 0.000 0.000 0.191 1332 E C 2.010 178.611 176.600 0.001 0.000 0.985 1332 E CA 1.473 57.861 56.400 -0.021 0.000 0.801 1332 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 1332 E HN 0.559 nan 8.360 nan 0.000 0.452 1333 E N 0.605 120.816 120.200 0.019 0.000 2.106 1333 E HA -0.130 4.220 4.350 0.000 0.000 0.192 1333 E C 1.928 178.540 176.600 0.019 0.000 0.984 1333 E CA 0.805 57.219 56.400 0.023 0.000 0.806 1333 E CB 0.027 29.747 29.700 0.034 0.000 0.750 1333 E HN 0.003 nan 8.360 nan 0.000 0.458 1334 V N 0.949 120.874 119.914 0.019 0.000 2.343 1334 V HA -0.240 3.880 4.120 0.000 0.000 0.247 1334 V C 2.404 178.505 176.094 0.011 0.000 1.051 1334 V CA 1.744 64.054 62.300 0.017 0.000 1.036 1334 V CB -0.956 30.877 31.823 0.018 0.000 0.654 1334 V HN 0.474 nan 8.190 nan 0.000 0.451 1335 A N -0.126 122.697 122.820 0.006 0.000 1.940 1335 A HA -0.202 4.118 4.320 0.000 0.000 0.219 1335 A C 2.354 179.938 177.584 0.002 0.000 1.176 1335 A CA 1.498 53.535 52.037 0.000 0.000 0.631 1335 A CB -0.408 18.587 19.000 -0.007 0.000 0.814 1335 A HN 0.416 nan 8.150 nan 0.000 0.446 1336 R N -0.580 119.923 120.500 0.004 0.000 2.115 1336 R HA 0.048 4.388 4.340 0.000 0.000 0.226 1336 R C 2.387 178.693 176.300 0.009 0.000 1.100 1336 R CA 1.207 57.310 56.100 0.006 0.000 0.980 1336 R CB -0.937 29.367 30.300 0.007 0.000 0.875 1336 R HN 0.527 nan 8.270 nan 0.000 0.445 1337 A N 1.161 123.988 122.820 0.013 0.000 1.898 1337 A HA -0.115 4.205 4.320 0.000 0.000 0.216 1337 A C 2.269 179.862 177.584 0.015 0.000 1.181 1337 A CA 1.794 53.841 52.037 0.017 0.000 0.620 1337 A CB -0.519 18.494 19.000 0.021 0.000 0.819 1337 A HN 0.209 nan 8.150 nan 0.000 0.442 1338 V N -2.494 117.427 119.914 0.012 0.000 2.951 1338 V HA -0.050 4.070 4.120 0.000 0.000 0.255 1338 V C 1.834 177.931 176.094 0.007 0.000 1.088 1338 V CA 2.090 64.395 62.300 0.010 0.000 1.109 1338 V CB -0.542 31.286 31.823 0.009 0.000 0.724 1338 V HN 0.392 nan 8.190 nan 0.000 0.471 1339 D N 1.237 121.640 120.400 0.005 0.000 2.117 1339 D HA -0.164 4.476 4.640 0.000 0.000 0.198 1339 D C 1.764 178.067 176.300 0.005 0.000 0.982 1339 D CA 1.726 55.727 54.000 0.002 0.000 0.828 1339 D CB -0.133 40.668 40.800 0.001 0.000 0.967 1339 D HN 0.488 nan 8.370 nan 0.000 0.464 1340 D N -0.296 120.108 120.400 0.007 0.000 2.103 1340 D HA -0.019 4.621 4.640 0.000 0.000 0.199 1340 D C 1.955 178.261 176.300 0.010 0.000 0.978 1340 D CA 1.385 55.390 54.000 0.009 0.000 0.829 1340 D CB -0.472 40.335 40.800 0.011 0.000 0.981 1340 D HN 0.241 nan 8.370 nan 0.000 0.464 1341 A N 0.649 123.476 122.820 0.012 0.000 1.877 1341 A HA -0.128 4.192 4.320 0.000 0.000 0.216 1341 A C 2.380 179.971 177.584 0.010 0.000 1.186 1341 A CA 1.286 53.331 52.037 0.013 0.000 0.620 1341 A CB -0.905 18.104 19.000 0.015 0.000 0.822 1341 A HN 0.181 nan 8.150 nan 0.000 0.443 1342 V N -0.021 119.898 119.914 0.008 0.000 2.759 1342 V HA -0.082 4.038 4.120 0.000 0.000 0.256 1342 V C 2.300 178.397 176.094 0.006 0.000 1.080 1342 V CA 2.093 64.396 62.300 0.006 0.000 1.101 1342 V CB -0.680 31.145 31.823 0.004 0.000 0.698 1342 V HN 0.570 nan 8.190 nan 0.000 0.477 1343 G N -0.123 108.681 108.800 0.006 0.000 2.404 1343 G HA2 -0.177 3.783 3.960 0.000 0.000 0.214 1343 G HA3 -0.177 3.783 3.960 0.000 0.000 0.214 1343 G C 1.619 176.523 174.900 0.007 0.000 1.189 1343 G CA 1.331 46.435 45.100 0.006 0.000 0.789 1343 G HN 0.661 nan 8.290 nan 0.000 0.533 1344 V N -1.064 118.855 119.914 0.009 0.000 2.809 1344 V HA -0.007 4.113 4.120 0.000 0.000 0.256 1344 V C 2.630 178.730 176.094 0.010 0.000 1.080 1344 V CA 1.121 63.427 62.300 0.010 0.000 1.102 1344 V CB -0.426 31.405 31.823 0.012 0.000 0.705 1344 V HN 0.118 nan 8.190 nan 0.000 0.475 1345 V N 2.104 122.023 119.914 0.009 0.000 2.407 1345 V HA -0.081 4.039 4.120 0.000 0.000 0.248 1345 V C 2.850 178.948 176.094 0.007 0.000 1.055 1345 V CA 2.320 64.625 62.300 0.008 0.000 1.049 1345 V CB -1.325 30.503 31.823 0.008 0.000 0.662 1345 V HN 0.629 nan 8.190 nan 0.000 0.455 1346 G N -1.461 107.343 108.800 0.007 0.000 2.403 1346 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 1346 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 1346 G C 1.717 176.621 174.900 0.006 0.000 1.154 1346 G CA 1.143 46.247 45.100 0.005 0.000 0.784 1346 G HN 0.529 nan 8.290 nan 0.000 0.538 1347 C N 0.567 119.872 119.300 0.007 0.000 2.425 1347 C HA -0.015 4.445 4.460 0.000 0.000 0.277 1347 C C 3.192 178.187 174.990 0.007 0.000 1.280 1347 C CA 1.536 60.558 59.018 0.007 0.000 1.744 1347 C CB -0.917 26.828 27.740 0.008 0.000 1.989 1347 C HN 0.412 nan 8.230 nan 0.000 0.491 1348 T N 0.963 115.522 114.554 0.008 0.000 2.951 1348 T HA 0.025 4.375 4.350 0.000 0.000 0.268 1348 T C 1.552 176.256 174.700 0.006 0.000 1.073 1348 T CA 0.957 63.062 62.100 0.008 0.000 1.134 1348 T CB -0.195 68.678 68.868 0.008 0.000 0.884 1348 T HN 0.497 nan 8.240 nan 0.000 0.479 1349 I N 0.745 121.318 120.570 0.006 0.000 2.439 1349 I HA -0.078 4.092 4.170 0.000 0.000 0.251 1349 I C 2.466 178.586 176.117 0.004 0.000 1.139 1349 I CA 1.190 62.493 61.300 0.005 0.000 1.438 1349 I CB -0.201 37.802 38.000 0.005 0.000 1.085 1349 I HN 0.298 nan 8.210 nan 0.000 0.427 1350 E N 0.124 120.327 120.200 0.005 0.000 2.086 1350 E HA -0.047 4.303 4.350 0.000 0.000 0.190 1350 E C 0.004 176.607 176.600 0.004 0.000 0.975 1350 E CA 0.661 57.063 56.400 0.004 0.000 0.813 1350 E CB 0.280 29.983 29.700 0.004 0.000 0.768 1350 E HN 0.328 nan 8.360 nan 0.000 0.457 1351 D N -0.134 120.269 120.400 0.005 0.000 2.453 1351 D HA 0.147 4.787 4.640 0.000 0.000 0.238 1351 D C 0.021 176.325 176.300 0.006 0.000 1.088 1351 D CA -0.122 53.882 54.000 0.006 0.000 0.854 1351 D CB 1.602 42.407 40.800 0.007 0.000 1.076 1351 D HN 0.106 nan 8.370 nan 0.000 0.533 1352 G N 2.168 110.971 108.800 0.005 0.000 3.279 1352 G HA2 -0.030 3.930 3.960 0.000 0.000 0.230 1352 G HA3 -0.030 3.930 3.960 0.000 0.000 0.230 1352 G C 0.711 175.615 174.900 0.006 0.000 1.230 1352 G CA -0.038 45.065 45.100 0.005 0.000 0.891 1352 G HN 0.074 nan 8.290 nan 0.000 0.518 1353 R N -0.297 120.207 120.500 0.007 0.000 2.589 1353 R HA 0.741 5.081 4.340 0.000 0.000 0.293 1353 R C -0.855 175.451 176.300 0.010 0.000 0.963 1353 R CA -0.646 55.458 56.100 0.008 0.000 0.905 1353 R CB 1.873 32.177 30.300 0.007 0.000 1.144 1353 R HN 0.172 nan 8.270 nan 0.000 0.459 1354 I N 2.418 122.995 120.570 0.011 0.000 2.828 1354 I HA 0.642 4.812 4.170 0.000 0.000 0.302 1354 I C -1.097 175.030 176.117 0.016 0.000 1.101 1354 I CA -1.114 60.194 61.300 0.013 0.000 1.031 1354 I CB 2.015 40.022 38.000 0.013 0.000 1.231 1354 I HN 0.472 nan 8.210 nan 0.000 0.427 1355 V N 2.382 122.306 119.914 0.018 0.000 2.914 1355 V HA 0.669 4.789 4.120 0.000 0.000 0.314 1355 V C -0.106 176.003 176.094 0.025 0.000 1.084 1355 V CA -0.615 61.699 62.300 0.022 0.000 0.963 1355 V CB 1.382 33.219 31.823 0.023 0.000 1.025 1355 V HN 0.811 nan 8.190 nan 0.000 0.432 1356 S N 2.203 117.921 115.700 0.031 0.000 2.562 1356 S HA 0.634 5.104 4.470 0.000 0.000 0.281 1356 S C 0.525 175.145 174.600 0.033 0.000 1.333 1356 S CA 0.185 58.406 58.200 0.035 0.000 1.052 1356 S CB 0.779 64.005 63.200 0.043 0.000 0.884 1356 S HN 1.775 nan 8.310 nan 0.000 0.506 1357 G N 0.428 109.249 108.800 0.035 0.000 2.782 1357 G HA2 0.567 4.527 3.960 0.000 0.000 0.201 1357 G HA3 0.567 4.527 3.960 0.000 0.000 0.201 1357 G C 0.860 175.779 174.900 0.031 0.000 1.374 1357 G CA -0.559 44.559 45.100 0.031 0.000 1.039 1357 G HN 2.024 nan 8.290 nan 0.000 0.576 1358 G N -1.846 106.970 108.800 0.028 0.000 2.225 1358 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 1358 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 1358 G C 1.456 176.357 174.900 0.003 0.000 1.024 1358 G CA 1.216 46.328 45.100 0.019 0.000 0.784 1358 G HN 2.471 nan 8.290 nan 0.000 0.507 1359 G N -1.451 107.346 108.800 -0.005 0.000 2.162 1359 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 1359 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 1359 G C 1.486 176.372 174.900 -0.023 0.000 0.976 1359 G CA 1.680 46.768 45.100 -0.020 0.000 0.655 1359 G HN 1.973 nan 8.290 nan 0.000 0.533 1360 S N 0.047 115.747 115.700 -0.001 0.000 2.368 1360 S HA -0.164 4.306 4.470 0.000 0.000 0.225 1360 S C 2.807 177.394 174.600 -0.022 0.000 1.030 1360 S CA 2.754 60.960 58.200 0.010 0.000 0.999 1360 S CB -0.581 62.651 63.200 0.052 0.000 0.844 1360 S HN 1.376 nan 8.310 nan 0.000 0.459 1361 T N 0.127 114.675 114.554 -0.010 0.000 2.595 1361 T HA -0.102 4.248 4.350 0.000 0.000 0.264 1361 T C 1.572 176.240 174.700 -0.054 0.000 1.058 1361 T CA 1.638 63.728 62.100 -0.016 0.000 1.166 1361 T CB -1.082 67.787 68.868 0.001 0.000 0.863 1361 T HN 0.426 nan 8.240 nan 0.000 0.415 1362 E N 1.028 121.198 120.200 -0.050 0.000 2.187 1362 E HA -0.094 4.256 4.350 0.000 0.000 0.199 1362 E C 2.284 178.824 176.600 -0.100 0.000 1.004 1362 E CA 1.086 57.448 56.400 -0.065 0.000 0.813 1362 E CB -0.864 28.799 29.700 -0.063 0.000 0.736 1362 E HN 0.421 nan 8.360 nan 0.000 0.468 1363 V N 1.001 120.831 119.914 -0.140 0.000 2.307 1363 V HA -0.232 3.888 4.120 0.000 0.000 0.245 1363 V C 2.386 178.251 176.094 -0.382 0.000 1.045 1363 V CA 1.873 64.039 62.300 -0.224 0.000 1.024 1363 V CB -0.447 31.236 31.823 -0.232 0.000 0.651 1363 V HN 0.301 nan 8.190 nan 0.000 0.449 1364 E N 0.324 120.240 120.200 -0.474 0.000 2.118 1364 E HA -0.207 4.143 4.350 0.000 0.000 0.195 1364 E C 2.155 178.676 176.600 -0.131 0.000 0.992 1364 E CA 1.490 57.639 56.400 -0.418 0.000 0.804 1364 E CB -0.144 29.504 29.700 -0.087 0.000 0.741 1364 E HN 0.586 nan 8.360 nan 0.000 0.458 1365 L N 0.149 121.323 121.223 -0.081 0.000 2.027 1365 L HA -0.137 4.203 4.340 0.000 0.000 0.206 1365 L C 2.859 179.739 176.870 0.015 0.000 1.074 1365 L CA 1.297 56.136 54.840 -0.002 0.000 0.745 1365 L CB -0.578 41.498 42.059 0.029 0.000 0.898 1365 L HN 0.105 nan 8.230 nan 0.000 0.433 1366 S N -0.453 115.231 115.700 -0.027 0.000 2.368 1366 S HA -0.174 4.296 4.470 0.000 0.000 0.225 1366 S C 2.137 176.736 174.600 -0.001 0.000 1.030 1366 S CA 1.106 59.299 58.200 -0.011 0.000 0.999 1366 S CB -0.005 63.169 63.200 -0.044 0.000 0.844 1366 S HN 0.195 nan 8.310 nan 0.000 0.459 1367 M N 0.958 120.539 119.600 -0.032 0.000 2.086 1367 M HA -0.019 4.461 4.480 0.000 0.000 0.261 1367 M C 2.243 178.567 176.300 0.039 0.000 1.067 1367 M CA 1.650 56.953 55.300 0.005 0.000 1.116 1367 M CB -1.256 31.350 32.600 0.011 0.000 1.348 1367 M HN 0.266 nan 8.290 nan 0.000 0.407 1368 K N 0.668 121.091 120.400 0.038 0.000 2.062 1368 K HA 0.013 4.333 4.320 0.000 0.000 0.205 1368 K C 1.892 178.538 176.600 0.076 0.000 1.051 1368 K CA 0.994 57.308 56.287 0.045 0.000 0.941 1368 K CB -0.321 32.189 32.500 0.017 0.000 0.719 1368 K HN 0.263 nan 8.250 nan 0.000 0.440 1369 L N 0.246 121.524 121.223 0.092 0.000 2.275 1369 L HA -0.058 4.282 4.340 0.000 0.000 0.215 1369 L C 2.355 179.309 176.870 0.140 0.000 1.119 1369 L CA 0.872 55.811 54.840 0.166 0.000 0.790 1369 L CB -0.263 41.901 42.059 0.175 0.000 0.919 1369 L HN 0.153 nan 8.230 nan 0.000 0.443 1370 R N 0.015 120.568 120.500 0.088 0.000 2.081 1370 R HA -0.199 4.141 4.340 0.000 0.000 0.235 1370 R C 2.185 178.523 176.300 0.064 0.000 1.131 1370 R CA 1.507 57.642 56.100 0.058 0.000 0.960 1370 R CB -0.174 30.148 30.300 0.038 0.000 0.856 1370 R HN 0.376 nan 8.270 nan 0.000 0.436 1371 E N -0.249 120.000 120.200 0.082 0.000 2.152 1371 E HA -0.202 4.148 4.350 0.000 0.000 0.192 1371 E C 1.588 178.269 176.600 0.136 0.000 0.983 1371 E CA 0.695 57.146 56.400 0.085 0.000 0.818 1371 E CB -0.013 29.731 29.700 0.074 0.000 0.758 1371 E HN 0.252 nan 8.360 nan 0.000 0.467 1372 Y N 0.934 121.229 120.300 -0.007 0.000 2.181 1372 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 1372 Y C 2.052 177.939 175.900 -0.022 0.000 1.146 1372 Y CA 1.271 59.360 58.100 -0.018 0.000 1.164 1372 Y CB -0.826 37.616 38.460 -0.030 0.000 0.982 1372 Y HN 0.130 nan 8.280 nan 0.000 0.515 1373 A N 0.155 122.957 122.820 -0.030 0.000 1.908 1373 A HA -0.180 4.140 4.320 0.000 0.000 0.218 1373 A C 2.145 179.682 177.584 -0.079 0.000 1.181 1373 A CA 1.894 53.865 52.037 -0.110 0.000 0.627 1373 A CB -0.525 18.448 19.000 -0.045 0.000 0.818 1373 A HN 0.479 nan 8.150 nan 0.000 0.445 1374 E N -0.568 119.619 120.200 -0.021 0.000 2.106 1374 E HA -0.105 4.245 4.350 0.000 0.000 0.192 1374 E C 2.175 178.767 176.600 -0.013 0.000 0.984 1374 E CA 1.103 57.498 56.400 -0.009 0.000 0.806 1374 E CB -0.638 29.070 29.700 0.013 0.000 0.750 1374 E HN 0.591 nan 8.360 nan 0.000 0.458 1375 G N 1.107 109.908 108.800 0.002 0.000 2.403 1375 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 1375 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 1375 G C 1.749 176.625 174.900 -0.039 0.000 1.154 1375 G CA 0.289 45.398 45.100 0.015 0.000 0.784 1375 G HN 0.152 nan 8.290 nan 0.000 0.538 1376 I N -0.170 120.321 120.570 -0.132 0.000 2.202 1376 I HA -0.014 4.156 4.170 0.000 0.000 0.242 1376 I C 1.740 177.796 176.117 -0.102 0.000 1.091 1376 I CA 0.764 61.959 61.300 -0.176 0.000 1.368 1376 I CB -0.282 37.517 38.000 -0.334 0.000 1.058 1376 I HN 0.314 nan 8.210 nan 0.000 0.410 1377 S N -1.118 114.530 115.700 -0.087 0.000 3.443 1377 S HA -0.141 4.329 4.470 0.000 0.000 0.635 1377 S C 0.560 175.131 174.600 -0.049 0.000 2.555 1377 S CA 0.870 59.038 58.200 -0.052 0.000 2.778 1377 S CB -1.385 61.794 63.200 -0.034 0.000 0.331 1377 S HN 1.357 nan 8.310 nan 0.000 1.765 1378 G N 0.782 109.563 108.800 -0.030 0.000 2.547 1378 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 1378 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 1378 G C 0.366 175.256 174.900 -0.016 0.000 1.209 1378 G CA 1.068 46.154 45.100 -0.022 0.000 0.959 1378 G HN 1.148 nan 8.290 nan 0.000 0.563 1379 R N 0.572 121.066 120.500 -0.010 0.000 2.127 1379 R HA 0.135 4.475 4.340 0.000 0.000 0.217 1379 R C 2.483 178.785 176.300 0.003 0.000 1.074 1379 R CA 1.508 57.610 56.100 0.005 0.000 0.991 1379 R CB -0.188 30.122 30.300 0.018 0.000 0.895 1379 R HN 0.603 nan 8.270 nan 0.000 0.450 1380 E N 1.267 121.457 120.200 -0.018 0.000 2.204 1380 E HA -0.236 4.114 4.350 0.000 0.000 0.195 1380 E C 1.985 178.550 176.600 -0.057 0.000 0.990 1380 E CA 1.417 57.797 56.400 -0.034 0.000 0.821 1380 E CB -0.093 29.564 29.700 -0.072 0.000 0.750 1380 E HN 0.469 nan 8.360 nan 0.000 0.477 1381 Q N 0.200 119.963 119.800 -0.062 0.000 2.170 1381 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 1381 Q C 1.716 177.697 176.000 -0.033 0.000 0.976 1381 Q CA 1.042 56.804 55.803 -0.069 0.000 0.858 1381 Q CB -0.209 28.496 28.738 -0.054 0.000 0.907 1381 Q HN 0.205 nan 8.270 nan 0.000 0.433 1382 L N 1.075 122.295 121.223 -0.004 0.000 2.093 1382 L HA -0.014 4.326 4.340 0.000 0.000 0.208 1382 L C 2.533 179.432 176.870 0.048 0.000 1.085 1382 L CA 1.867 56.721 54.840 0.022 0.000 0.755 1382 L CB -0.981 41.099 42.059 0.034 0.000 0.904 1382 L HN 0.393 nan 8.230 nan 0.000 0.435 1383 A N -1.323 121.538 122.820 0.069 0.000 1.929 1383 A HA -0.093 4.227 4.320 0.000 0.000 0.216 1383 A C 2.321 179.857 177.584 -0.080 0.000 1.176 1383 A CA 1.549 53.678 52.037 0.153 0.000 0.628 1383 A CB -0.738 18.410 19.000 0.246 0.000 0.816 1383 A HN 0.192 nan 8.150 nan 0.000 0.444 1384 V N -0.003 119.852 119.914 -0.098 0.000 2.427 1384 V HA -0.190 3.930 4.120 0.000 0.000 0.248 1384 V C 2.634 178.698 176.094 -0.050 0.000 1.051 1384 V CA 2.193 64.410 62.300 -0.139 0.000 1.048 1384 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 1384 V HN 0.599 nan 8.190 nan 0.000 0.456 1385 R N 1.206 121.688 120.500 -0.030 0.000 2.081 1385 R HA -0.061 4.279 4.340 0.000 0.000 0.235 1385 R C 2.154 178.452 176.300 -0.003 0.000 1.131 1385 R CA 1.852 57.950 56.100 -0.003 0.000 0.960 1385 R CB -0.920 29.381 30.300 0.002 0.000 0.856 1385 R HN 0.435 nan 8.270 nan 0.000 0.436 1386 A N -0.502 122.314 122.820 -0.005 0.000 1.930 1386 A HA -0.121 4.199 4.320 0.000 0.000 0.217 1386 A C 2.161 179.701 177.584 -0.074 0.000 1.175 1386 A CA 1.336 53.382 52.037 0.015 0.000 0.627 1386 A CB -0.821 18.268 19.000 0.149 0.000 0.815 1386 A HN 0.481 nan 8.150 nan 0.000 0.443 1387 F N 0.881 120.570 119.950 -0.434 0.000 2.075 1387 F HA -0.065 4.462 4.527 0.000 0.000 0.297 1387 F C 2.554 178.237 175.800 -0.194 0.000 1.113 1387 F CA 1.538 59.250 58.000 -0.481 0.000 1.218 1387 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 1387 F HN 0.244 nan 8.300 nan 0.000 0.472 1388 A N -0.159 122.723 122.820 0.102 0.000 1.933 1388 A HA -0.188 4.132 4.320 0.000 0.000 0.218 1388 A C 1.893 179.449 177.584 -0.046 0.000 1.175 1388 A CA 2.006 54.082 52.037 0.064 0.000 0.628 1388 A CB -0.963 18.093 19.000 0.093 0.000 0.814 1388 A HN 0.463 nan 8.150 nan 0.000 0.444 1389 D N -0.050 120.323 120.400 -0.046 0.000 2.144 1389 D HA 0.021 4.661 4.640 0.000 0.000 0.200 1389 D C 2.187 178.440 176.300 -0.078 0.000 0.978 1389 D CA 1.349 55.320 54.000 -0.048 0.000 0.833 1389 D CB -0.368 40.418 40.800 -0.024 0.000 0.961 1389 D HN 0.416 nan 8.370 nan 0.000 0.470 1390 A N 0.473 123.223 122.820 -0.117 0.000 1.969 1390 A HA -0.116 4.204 4.320 0.000 0.000 0.218 1390 A C 2.019 179.497 177.584 -0.177 0.000 1.169 1390 A CA 0.760 52.715 52.037 -0.137 0.000 0.635 1390 A CB -0.528 18.380 19.000 -0.154 0.000 0.810 1390 A HN 0.139 nan 8.150 nan 0.000 0.445 1391 L N 0.275 121.353 121.223 -0.242 0.000 2.191 1391 L HA -0.140 4.200 4.340 0.000 0.000 0.212 1391 L C 1.998 178.794 176.870 -0.124 0.000 1.103 1391 L CA 1.660 56.373 54.840 -0.212 0.000 0.769 1391 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 1391 L HN 0.479 nan 8.230 nan 0.000 0.438 1392 E N -1.381 118.759 120.200 -0.099 0.000 2.515 1392 E HA -0.131 4.219 4.350 0.000 0.000 0.201 1392 E C 2.189 178.751 176.600 -0.064 0.000 1.071 1392 E CA 0.261 56.618 56.400 -0.072 0.000 0.880 1392 E CB -0.065 29.601 29.700 -0.058 0.000 0.828 1392 E HN 0.294 nan 8.360 nan 0.000 0.540 1393 V N 1.043 120.914 119.914 -0.071 0.000 2.594 1393 V HA -0.238 3.882 4.120 0.000 0.000 0.253 1393 V C 1.717 177.779 176.094 -0.053 0.000 1.069 1393 V CA 1.239 63.504 62.300 -0.059 0.000 1.082 1393 V CB -0.172 31.614 31.823 -0.062 0.000 0.680 1393 V HN 0.275 nan 8.190 nan 0.000 0.469 1394 I N 0.351 120.887 120.570 -0.057 0.000 2.162 1394 I HA -0.017 4.153 4.170 0.000 0.000 0.238 1394 I C 0.244 176.334 176.117 -0.045 0.000 1.076 1394 I CA 1.413 62.683 61.300 -0.049 0.000 1.353 1394 I CB -2.837 35.135 38.000 -0.048 0.000 1.063 1394 I HN 0.304 nan 8.210 nan 0.000 0.408 1395 P HA -0.193 nan 4.420 nan 0.000 0.216 1395 P C 1.842 179.119 177.300 -0.038 0.000 1.157 1395 P CA 1.540 64.617 63.100 -0.040 0.000 0.880 1395 P CB -0.217 31.458 31.700 -0.042 0.000 0.791 1396 R N -0.010 120.467 120.500 -0.039 0.000 2.096 1396 R HA -0.140 4.200 4.340 0.000 0.000 0.240 1396 R C 1.921 178.199 176.300 -0.036 0.000 1.139 1396 R CA 2.767 58.846 56.100 -0.036 0.000 0.952 1396 R CB -1.486 28.793 30.300 -0.036 0.000 0.854 1396 R HN 0.283 nan 8.270 nan 0.000 0.436 1397 T N -1.583 112.948 114.554 -0.039 0.000 3.067 1397 T HA 0.020 4.370 4.350 0.000 0.000 0.257 1397 T C 2.005 176.677 174.700 -0.046 0.000 1.105 1397 T CA 0.098 62.173 62.100 -0.040 0.000 1.104 1397 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 1397 T HN 0.025 nan 8.240 nan 0.000 0.498 1398 L N 1.673 122.867 121.223 -0.049 0.000 2.083 1398 L HA 0.231 4.571 4.340 0.000 0.000 0.209 1398 L C 2.926 179.757 176.870 -0.066 0.000 1.083 1398 L CA 1.627 56.430 54.840 -0.061 0.000 0.752 1398 L CB -1.199 40.827 42.059 -0.055 0.000 0.899 1398 L HN 0.454 nan 8.230 nan 0.000 0.433 1399 A N -1.537 121.253 122.820 -0.050 0.000 1.935 1399 A HA -0.117 4.203 4.320 0.000 0.000 0.214 1399 A C 2.230 179.788 177.584 -0.043 0.000 1.178 1399 A CA 1.008 53.017 52.037 -0.046 0.000 0.640 1399 A CB -0.365 18.615 19.000 -0.033 0.000 0.825 1399 A HN 0.341 nan 8.150 nan 0.000 0.447 1400 E N 1.615 121.792 120.200 -0.038 0.000 2.033 1400 E HA -0.258 4.092 4.350 0.000 0.000 0.199 1400 E C 1.683 178.261 176.600 -0.036 0.000 1.011 1400 E CA 2.051 58.431 56.400 -0.034 0.000 0.815 1400 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 1400 E HN 0.767 nan 8.360 nan 0.000 0.451 1401 N N -0.123 118.552 118.700 -0.042 0.000 2.467 1401 N HA 0.014 4.754 4.740 0.000 0.000 0.184 1401 N C 1.077 176.554 175.510 -0.054 0.000 1.106 1401 N CA 1.056 54.080 53.050 -0.044 0.000 0.892 1401 N CB -0.196 38.265 38.487 -0.044 0.000 0.969 1401 N HN 0.189 nan 8.380 nan 0.000 0.454 1402 A N -0.225 122.556 122.820 -0.065 0.000 2.208 1402 A HA 0.480 4.800 4.320 0.000 0.000 0.209 1402 A C 1.625 179.177 177.584 -0.054 0.000 1.161 1402 A CA 0.467 52.456 52.037 -0.078 0.000 0.782 1402 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 1402 A HN 0.615 nan 8.150 nan 0.000 0.477 1403 G N -1.624 107.152 108.800 -0.040 0.000 2.132 1403 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 1403 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 1403 G C -0.170 174.717 174.900 -0.023 0.000 0.989 1403 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 1403 G HN 0.278 nan 8.290 nan 0.000 0.522 1404 L N 0.789 121.995 121.223 -0.027 0.000 2.344 1404 L HA 0.517 4.857 4.340 0.000 0.000 0.272 1404 L C 0.284 177.143 176.870 -0.019 0.000 1.035 1404 L CA -0.847 53.981 54.840 -0.021 0.000 0.807 1404 L CB 1.369 43.414 42.059 -0.023 0.000 1.237 1404 L HN 0.211 nan 8.230 nan 0.000 0.442 1405 D N 1.429 121.820 120.400 -0.014 0.000 2.346 1405 D HA 0.112 4.752 4.640 0.000 0.000 0.260 1405 D C 0.829 177.120 176.300 -0.015 0.000 1.252 1405 D CA 0.113 54.105 54.000 -0.013 0.000 0.895 1405 D CB 1.601 42.395 40.800 -0.009 0.000 1.097 1405 D HN 0.642 nan 8.370 nan 0.000 0.489 1406 A N 5.458 128.268 122.820 -0.017 0.000 1.908 1406 A HA -0.192 4.128 4.320 0.000 0.000 0.218 1406 A C 2.139 179.714 177.584 -0.016 0.000 1.181 1406 A CA 0.881 52.906 52.037 -0.019 0.000 0.627 1406 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 1406 A HN 0.710 nan 8.150 nan 0.000 0.445 1407 I N -0.258 120.304 120.570 -0.013 0.000 2.163 1407 I HA -0.200 3.970 4.170 0.000 0.000 0.240 1407 I C 2.475 178.588 176.117 -0.007 0.000 1.081 1407 I CA 1.857 63.151 61.300 -0.010 0.000 1.353 1407 I CB -1.517 36.478 38.000 -0.009 0.000 1.054 1407 I HN 0.572 nan 8.210 nan 0.000 0.407 1408 E N 0.939 121.135 120.200 -0.006 0.000 2.077 1408 E HA -0.207 4.143 4.350 0.000 0.000 0.193 1408 E C 2.313 178.912 176.600 -0.002 0.000 0.989 1408 E CA 1.122 57.520 56.400 -0.003 0.000 0.800 1408 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 1408 E HN 0.238 nan 8.360 nan 0.000 0.452 1409 I N 0.860 121.427 120.570 -0.005 0.000 2.202 1409 I HA -0.234 3.936 4.170 0.000 0.000 0.242 1409 I C 2.398 178.513 176.117 -0.003 0.000 1.091 1409 I CA 0.808 62.106 61.300 -0.003 0.000 1.368 1409 I CB -0.964 37.031 38.000 -0.008 0.000 1.058 1409 I HN 0.244 nan 8.210 nan 0.000 0.410 1410 L N 0.136 121.354 121.223 -0.008 0.000 2.083 1410 L HA -0.146 4.194 4.340 0.000 0.000 0.209 1410 L C 2.574 179.442 176.870 -0.003 0.000 1.083 1410 L CA 1.265 56.099 54.840 -0.010 0.000 0.752 1410 L CB -1.001 41.049 42.059 -0.016 0.000 0.899 1410 L HN -0.001 nan 8.230 nan 0.000 0.433 1411 V N -0.824 119.090 119.914 -0.000 0.000 2.358 1411 V HA -0.272 3.848 4.120 0.000 0.000 0.246 1411 V C 2.422 178.523 176.094 0.011 0.000 1.047 1411 V CA 1.563 63.866 62.300 0.004 0.000 1.035 1411 V CB -0.491 31.334 31.823 0.003 0.000 0.658 1411 V HN 0.427 nan 8.190 nan 0.000 0.452 1412 K N -0.408 119.998 120.400 0.010 0.000 2.097 1412 K HA -0.075 4.245 4.320 0.000 0.000 0.205 1412 K C 2.018 178.632 176.600 0.023 0.000 1.050 1412 K CA 1.114 57.410 56.287 0.015 0.000 0.938 1412 K CB -0.204 32.304 32.500 0.012 0.000 0.718 1412 K HN 0.324 nan 8.250 nan 0.000 0.442 1413 V N 1.153 121.080 119.914 0.022 0.000 2.346 1413 V HA -0.163 3.957 4.120 0.000 0.000 0.244 1413 V C 2.134 178.259 176.094 0.051 0.000 1.037 1413 V CA 1.451 63.771 62.300 0.033 0.000 1.029 1413 V CB -0.388 31.445 31.823 0.017 0.000 0.663 1413 V HN 0.230 nan 8.190 nan 0.000 0.454 1414 R N 0.382 120.900 120.500 0.030 0.000 2.096 1414 R HA -0.105 4.235 4.340 0.000 0.000 0.235 1414 R C 2.410 178.752 176.300 0.071 0.000 1.127 1414 R CA 1.478 57.599 56.100 0.035 0.000 0.968 1414 R CB -0.588 29.716 30.300 0.006 0.000 0.861 1414 R HN 0.530 nan 8.270 nan 0.000 0.440 1415 A N 1.257 124.108 122.820 0.050 0.000 1.898 1415 A HA -0.069 4.251 4.320 0.000 0.000 0.216 1415 A C 2.376 179.992 177.584 0.054 0.000 1.181 1415 A CA 1.538 53.603 52.037 0.047 0.000 0.620 1415 A CB -0.607 18.410 19.000 0.029 0.000 0.819 1415 A HN 0.382 nan 8.150 nan 0.000 0.442 1416 A N -1.184 121.670 122.820 0.057 0.000 1.933 1416 A HA -0.224 4.096 4.320 0.000 0.000 0.218 1416 A C 2.137 179.759 177.584 0.062 0.000 1.175 1416 A CA 1.776 53.843 52.037 0.050 0.000 0.628 1416 A CB -0.913 18.115 19.000 0.047 0.000 0.814 1416 A HN 0.766 nan 8.150 nan 0.000 0.444 1417 H N 0.011 119.084 119.070 0.004 0.000 2.299 1417 H HA -0.046 4.510 4.556 0.000 0.000 0.302 1417 H C 2.330 177.661 175.328 0.004 0.000 1.078 1417 H CA 1.768 57.819 56.048 0.004 0.000 1.323 1417 H CB -0.282 29.483 29.762 0.005 0.000 1.381 1417 H HN 0.390 nan 8.280 nan 0.000 0.498 1418 A N 0.016 122.903 122.820 0.112 0.000 1.940 1418 A HA -0.179 4.141 4.320 0.000 0.000 0.219 1418 A C 2.776 180.346 177.584 -0.023 0.000 1.176 1418 A CA 2.102 54.170 52.037 0.052 0.000 0.631 1418 A CB -0.828 18.222 19.000 0.083 0.000 0.814 1418 A HN 0.518 nan 8.150 nan 0.000 0.446 1419 S N -0.656 115.033 115.700 -0.017 0.000 2.341 1419 S HA -0.068 4.402 4.470 0.000 0.000 0.216 1419 S C 1.861 176.433 174.600 -0.047 0.000 1.034 1419 S CA 0.967 59.153 58.200 -0.023 0.000 0.964 1419 S CB -0.386 62.810 63.200 -0.006 0.000 0.882 1419 S HN 0.640 nan 8.310 nan 0.000 0.469 1420 N N 0.982 119.649 118.700 -0.054 0.000 2.416 1420 N HA 0.214 4.954 4.740 0.000 0.000 0.177 1420 N C 1.043 176.494 175.510 -0.098 0.000 1.036 1420 N CA 0.942 53.957 53.050 -0.058 0.000 0.901 1420 N CB 0.464 38.931 38.487 -0.033 0.000 0.976 1420 N HN 0.595 nan 8.380 nan 0.000 0.444 1421 G N 0.650 109.336 108.800 -0.189 0.000 2.352 1421 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 1421 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 1421 G C -0.114 174.547 174.900 -0.399 0.000 1.249 1421 G CA -0.192 44.753 45.100 -0.258 0.000 1.053 1421 G HN 0.242 nan 8.290 nan 0.000 0.492 1422 N N -0.276 118.279 118.700 -0.242 0.000 2.368 1422 N HA 0.096 4.836 4.740 0.000 0.000 0.176 1422 N C 1.615 177.143 175.510 0.029 0.000 1.021 1422 N CA 0.911 53.907 53.050 -0.090 0.000 0.888 1422 N CB 0.108 38.599 38.487 0.005 0.000 0.995 1422 N HN 0.281 nan 8.380 nan 0.000 0.437 1423 K N -0.208 120.189 120.400 -0.005 0.000 2.374 1423 K HA 0.272 4.592 4.320 0.000 0.000 0.196 1423 K C -0.647 175.962 176.600 0.015 0.000 1.023 1423 K CA 0.147 56.443 56.287 0.016 0.000 1.103 1423 K CB 0.546 33.049 32.500 0.005 0.000 0.848 1423 K HN 0.115 nan 8.250 nan 0.000 0.528 1424 C N 1.004 120.304 119.300 0.001 0.000 3.094 1424 C HA 0.817 5.277 4.460 0.000 0.000 0.262 1424 C C 0.350 175.356 174.990 0.027 0.000 1.459 1424 C CA -0.723 58.297 59.018 0.003 0.000 1.570 1424 C CB -1.224 26.501 27.740 -0.024 0.000 2.056 1424 C HN 0.467 nan 8.230 nan 0.000 0.499 1425 A N 0.478 123.337 122.820 0.064 0.000 5.650 1425 A HA 0.952 5.272 4.320 0.000 0.000 0.194 1425 A C 0.231 177.860 177.584 0.075 0.000 0.895 1425 A CA 0.396 52.488 52.037 0.091 0.000 0.804 1425 A CB -0.453 18.654 19.000 0.178 0.000 2.103 1425 A HN 2.021 nan 8.150 nan 0.000 1.022 1426 G N -1.920 106.923 108.800 0.071 0.000 2.888 1426 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 1426 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 1426 G C -0.831 174.089 174.900 0.033 0.000 1.461 1426 G CA -0.069 45.056 45.100 0.041 0.000 0.897 1426 G HN 1.441 nan 8.290 nan 0.000 0.547 1427 L N 0.507 121.742 121.223 0.020 0.000 2.292 1427 L HA 0.497 4.837 4.340 0.000 0.000 0.284 1427 L C 0.577 177.464 176.870 0.027 0.000 1.065 1427 L CA -0.454 54.393 54.840 0.013 0.000 0.806 1427 L CB 1.612 43.665 42.059 -0.010 0.000 1.175 1427 L HN 0.626 nan 8.230 nan 0.000 0.431 1428 N N 1.202 119.926 118.700 0.040 0.000 2.699 1428 N HA 0.211 4.951 4.740 0.000 0.000 0.232 1428 N C 0.842 176.378 175.510 0.042 0.000 1.027 1428 N CA -0.360 52.738 53.050 0.080 0.000 0.920 1428 N CB 0.962 39.512 38.487 0.105 0.000 1.148 1428 N HN 0.445 nan 8.380 nan 0.000 0.509 1429 V N 0.783 120.669 119.914 -0.048 0.000 2.913 1429 V HA -0.034 4.086 4.120 0.000 0.000 0.260 1429 V C 1.440 177.426 176.094 -0.181 0.000 1.098 1429 V CA 1.228 63.436 62.300 -0.154 0.000 1.121 1429 V CB -1.200 30.464 31.823 -0.265 0.000 0.714 1429 V HN 0.409 nan 8.190 nan 0.000 0.487 1430 F N 2.508 122.458 119.950 0.001 0.000 2.206 1430 F HA -0.055 4.472 4.527 0.000 0.000 0.298 1430 F C 2.728 178.529 175.800 0.002 0.000 1.090 1430 F CA 1.865 59.866 58.000 0.002 0.000 1.323 1430 F CB -0.388 38.613 39.000 0.002 0.000 1.028 1430 F HN 0.366 nan 8.300 nan 0.000 0.492 1431 T N -3.768 110.893 114.554 0.179 0.000 3.022 1431 T HA 0.363 4.713 4.350 0.000 0.000 0.250 1431 T C 1.436 176.168 174.700 0.052 0.000 1.060 1431 T CA 0.420 62.578 62.100 0.096 0.000 1.013 1431 T CB 0.270 69.185 68.868 0.079 0.000 0.982 1431 T HN 0.377 nan 8.240 nan 0.000 0.508 1432 G N 1.056 109.878 108.800 0.037 0.000 2.291 1432 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 1432 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 1432 G C 0.036 174.943 174.900 0.012 0.000 1.099 1432 G CA -0.229 44.876 45.100 0.008 0.000 0.919 1432 G HN 1.393 nan 8.290 nan 0.000 0.496 1433 A N -1.507 121.325 122.820 0.020 0.000 2.601 1433 A HA 0.903 5.223 4.320 0.000 0.000 0.291 1433 A C 0.036 177.634 177.584 0.024 0.000 1.075 1433 A CA 0.110 52.159 52.037 0.020 0.000 0.671 1433 A CB 1.398 20.411 19.000 0.023 0.000 1.277 1433 A HN 1.818 nan 8.150 nan 0.000 0.417 1434 V N 1.417 121.344 119.914 0.022 0.000 2.673 1434 V HA 0.451 4.571 4.120 0.000 0.000 0.303 1434 V C -0.041 176.072 176.094 0.032 0.000 1.046 1434 V CA 0.934 63.250 62.300 0.027 0.000 1.126 1434 V CB 0.518 32.356 31.823 0.026 0.000 0.934 1434 V HN 0.908 nan 8.190 nan 0.000 0.487 1435 E N 3.613 123.835 120.200 0.037 0.000 2.350 1435 E HA 0.448 4.798 4.350 0.000 0.000 0.243 1435 E C -1.650 174.972 176.600 0.037 0.000 0.959 1435 E CA -0.716 55.706 56.400 0.037 0.000 0.883 1435 E CB 0.864 30.590 29.700 0.044 0.000 1.820 1435 E HN 0.659 nan 8.360 nan 0.000 0.441 1436 D N 1.402 121.822 120.400 0.033 0.000 2.427 1436 D HA 0.234 4.874 4.640 0.000 0.000 0.226 1436 D C 1.085 177.406 176.300 0.035 0.000 1.076 1436 D CA -0.304 53.714 54.000 0.030 0.000 0.849 1436 D CB 1.021 41.833 40.800 0.019 0.000 1.052 1436 D HN 0.162 nan 8.370 nan 0.000 0.515 1437 M N 0.387 120.013 119.600 0.043 0.000 2.099 1437 M HA -0.123 4.357 4.480 0.000 0.000 0.262 1437 M C 2.285 178.607 176.300 0.036 0.000 1.067 1437 M CA 0.884 56.212 55.300 0.047 0.000 1.124 1437 M CB -0.826 31.804 32.600 0.051 0.000 1.353 1437 M HN 0.502 nan 8.290 nan 0.000 0.410 1438 C N 0.700 120.019 119.300 0.031 0.000 2.429 1438 C HA -0.162 4.298 4.460 0.000 0.000 0.277 1438 C C 2.707 177.706 174.990 0.015 0.000 1.262 1438 C CA 1.346 60.377 59.018 0.022 0.000 1.733 1438 C CB -0.930 26.823 27.740 0.020 0.000 2.010 1438 C HN 0.633 nan 8.230 nan 0.000 0.483 1439 E N 0.130 120.338 120.200 0.014 0.000 2.118 1439 E HA -0.202 4.148 4.350 0.000 0.000 0.195 1439 E C 1.206 177.809 176.600 0.005 0.000 0.992 1439 E CA 1.355 57.760 56.400 0.008 0.000 0.804 1439 E CB -0.144 29.560 29.700 0.008 0.000 0.741 1439 E HN 0.630 nan 8.360 nan 0.000 0.458 1440 N N -0.527 118.179 118.700 0.011 0.000 2.398 1440 N HA 0.041 4.781 4.740 0.000 0.000 0.188 1440 N C 0.590 176.099 175.510 -0.002 0.000 1.122 1440 N CA 0.910 53.962 53.050 0.003 0.000 0.866 1440 N CB 0.945 39.441 38.487 0.015 0.000 0.970 1440 N HN 0.320 nan 8.380 nan 0.000 0.462 1441 G N 0.151 108.954 108.800 0.005 0.000 2.160 1441 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 1441 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 1441 G C -0.075 174.835 174.900 0.017 0.000 1.008 1441 G CA 0.151 45.254 45.100 0.005 0.000 0.724 1441 G HN 0.196 nan 8.290 nan 0.000 0.514 1442 V N 1.376 121.311 119.914 0.034 0.000 2.222 1442 V HA 0.482 4.602 4.120 0.000 0.000 0.253 1442 V C 0.789 176.912 176.094 0.047 0.000 1.210 1442 V CA 0.112 62.446 62.300 0.058 0.000 1.079 1442 V CB 0.492 32.368 31.823 0.088 0.000 1.265 1442 V HN 1.022 nan 8.190 nan 0.000 0.494 1443 V N 1.229 121.166 119.914 0.038 0.000 2.876 1443 V HA 0.795 4.915 4.120 0.000 0.000 0.312 1443 V C -0.703 175.408 176.094 0.029 0.000 1.085 1443 V CA -0.820 61.498 62.300 0.031 0.000 0.945 1443 V CB 2.485 34.322 31.823 0.023 0.000 1.017 1443 V HN 0.625 nan 8.190 nan 0.000 0.428 1444 E N 2.852 123.067 120.200 0.025 0.000 2.317 1444 E HA 0.532 4.882 4.350 0.000 0.000 0.270 1444 E C -2.972 173.639 176.600 0.018 0.000 0.885 1444 E CA -2.264 54.149 56.400 0.022 0.000 0.760 1444 E CB 2.744 32.457 29.700 0.021 0.000 1.227 1444 E HN 0.550 nan 8.360 nan 0.000 0.434 1445 P HA -0.098 nan 4.420 nan 0.000 0.266 1445 P C 0.507 177.816 177.300 0.014 0.000 1.193 1445 P CA -0.099 63.009 63.100 0.014 0.000 0.770 1445 P CB 0.529 32.236 31.700 0.013 0.000 0.836 1446 L N 4.074 125.306 121.223 0.014 0.000 2.042 1446 L HA -0.172 4.168 4.340 0.000 0.000 0.210 1446 L C 2.345 179.223 176.870 0.014 0.000 1.076 1446 L CA 1.868 56.717 54.840 0.014 0.000 0.749 1446 L CB -0.839 41.227 42.059 0.013 0.000 0.893 1446 L HN 0.308 nan 8.230 nan 0.000 0.432 1447 R N -0.968 119.540 120.500 0.013 0.000 2.127 1447 R HA -0.150 4.190 4.340 0.000 0.000 0.238 1447 R C 2.045 178.353 176.300 0.014 0.000 1.134 1447 R CA 1.790 57.898 56.100 0.013 0.000 0.975 1447 R CB -0.298 30.009 30.300 0.012 0.000 0.865 1447 R HN 0.395 nan 8.270 nan 0.000 0.447 1448 V N 1.440 121.362 119.914 0.014 0.000 2.255 1448 V HA -0.275 3.845 4.120 0.000 0.000 0.247 1448 V C 2.285 178.387 176.094 0.014 0.000 1.051 1448 V CA 1.875 64.183 62.300 0.013 0.000 1.018 1448 V CB -0.357 31.473 31.823 0.013 0.000 0.641 1448 V HN 0.292 nan 8.190 nan 0.000 0.445 1449 K N -0.390 120.019 120.400 0.015 0.000 2.167 1449 K HA -0.008 4.312 4.320 0.000 0.000 0.203 1449 K C 2.177 178.790 176.600 0.023 0.000 1.052 1449 K CA 1.292 57.588 56.287 0.016 0.000 0.956 1449 K CB -0.657 31.852 32.500 0.015 0.000 0.735 1449 K HN 0.494 nan 8.250 nan 0.000 0.451 1450 T N 1.374 115.942 114.554 0.023 0.000 2.812 1450 T HA -0.133 4.217 4.350 0.000 0.000 0.264 1450 T C 1.911 176.630 174.700 0.031 0.000 1.042 1450 T CA 1.291 63.408 62.100 0.028 0.000 1.140 1450 T CB -0.034 68.847 68.868 0.022 0.000 0.870 1450 T HN 0.122 nan 8.240 nan 0.000 0.445 1451 Q N 1.321 121.136 119.800 0.025 0.000 2.123 1451 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 1451 Q C 2.247 178.264 176.000 0.028 0.000 0.966 1451 Q CA 1.521 57.339 55.803 0.025 0.000 0.845 1451 Q CB -0.668 28.081 28.738 0.019 0.000 0.907 1451 Q HN 0.471 nan 8.270 nan 0.000 0.439 1452 A N 0.523 123.357 122.820 0.024 0.000 1.883 1452 A HA -0.156 4.164 4.320 0.000 0.000 0.217 1452 A C 1.939 179.541 177.584 0.030 0.000 1.186 1452 A CA 1.593 53.642 52.037 0.020 0.000 0.624 1452 A CB -0.679 18.327 19.000 0.011 0.000 0.822 1452 A HN 0.444 nan 8.150 nan 0.000 0.444 1453 I N -0.371 120.226 120.570 0.044 0.000 2.252 1453 I HA -0.178 3.992 4.170 0.000 0.000 0.245 1453 I C 2.661 178.839 176.117 0.101 0.000 1.102 1453 I CA 1.161 62.509 61.300 0.081 0.000 1.385 1453 I CB -1.431 36.631 38.000 0.103 0.000 1.064 1453 I HN 0.361 nan 8.210 nan 0.000 0.414 1454 Q N 0.703 120.548 119.800 0.074 0.000 2.002 1454 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 1454 Q C 2.506 178.546 176.000 0.067 0.000 0.988 1454 Q CA 1.882 57.726 55.803 0.069 0.000 0.843 1454 Q CB -0.550 28.216 28.738 0.047 0.000 0.908 1454 Q HN 0.387 nan 8.270 nan 0.000 0.420 1455 S N 0.823 116.553 115.700 0.051 0.000 2.356 1455 S HA -0.132 4.338 4.470 0.000 0.000 0.223 1455 S C 1.945 176.576 174.600 0.052 0.000 1.032 1455 S CA 1.151 59.378 58.200 0.044 0.000 1.005 1455 S CB -0.277 62.941 63.200 0.031 0.000 0.867 1455 S HN 0.517 nan 8.310 nan 0.000 0.449 1456 A N 1.400 124.252 122.820 0.054 0.000 1.873 1456 A HA 0.164 4.484 4.320 0.000 0.000 0.215 1456 A C 2.332 179.973 177.584 0.095 0.000 1.186 1456 A CA 1.710 53.777 52.037 0.051 0.000 0.616 1456 A CB -1.073 17.941 19.000 0.023 0.000 0.823 1456 A HN 0.515 nan 8.150 nan 0.000 0.442 1457 A N -0.693 122.220 122.820 0.154 0.000 1.898 1457 A HA -0.026 4.295 4.320 0.000 0.000 0.214 1457 A C 1.961 179.675 177.584 0.216 0.000 1.183 1457 A CA 1.913 54.122 52.037 0.288 0.000 0.622 1457 A CB -0.394 18.874 19.000 0.446 0.000 0.824 1457 A HN 0.489 nan 8.150 nan 0.000 0.444 1458 E N 0.067 120.351 120.200 0.139 0.000 2.150 1458 E HA -0.112 4.238 4.350 0.000 0.000 0.193 1458 E C 2.135 178.779 176.600 0.074 0.000 0.985 1458 E CA 1.355 57.813 56.400 0.096 0.000 0.814 1458 E CB -0.328 29.413 29.700 0.069 0.000 0.752 1458 E HN 0.458 nan 8.360 nan 0.000 0.466 1459 S N -1.302 114.439 115.700 0.068 0.000 2.368 1459 S HA -0.131 4.339 4.470 0.000 0.000 0.224 1459 S C 1.898 176.523 174.600 0.041 0.000 1.029 1459 S CA 1.762 59.990 58.200 0.047 0.000 0.988 1459 S CB -0.540 62.683 63.200 0.039 0.000 0.838 1459 S HN 0.421 nan 8.310 nan 0.000 0.462 1460 T N 1.830 116.422 114.554 0.063 0.000 2.674 1460 T HA -0.082 4.268 4.350 0.000 0.000 0.265 1460 T C 1.841 176.543 174.700 0.003 0.000 1.039 1460 T CA 1.400 63.523 62.100 0.039 0.000 1.150 1460 T CB -0.491 68.446 68.868 0.115 0.000 0.864 1460 T HN 0.426 nan 8.240 nan 0.000 0.427 1461 E N 0.799 121.040 120.200 0.068 0.000 2.204 1461 E HA -0.122 4.228 4.350 0.000 0.000 0.195 1461 E C 2.117 178.727 176.600 0.017 0.000 0.990 1461 E CA 0.827 57.256 56.400 0.047 0.000 0.821 1461 E CB -0.237 29.528 29.700 0.108 0.000 0.750 1461 E HN 0.502 nan 8.360 nan 0.000 0.477 1462 M N -0.173 119.441 119.600 0.024 0.000 2.099 1462 M HA -0.177 4.303 4.480 0.000 0.000 0.262 1462 M C 1.878 178.179 176.300 0.001 0.000 1.067 1462 M CA 1.058 56.367 55.300 0.016 0.000 1.124 1462 M CB 0.009 32.622 32.600 0.022 0.000 1.353 1462 M HN 0.097 nan 8.290 nan 0.000 0.410 1463 L N 0.757 121.976 121.223 -0.005 0.000 2.201 1463 L HA -0.102 4.238 4.340 0.000 0.000 0.212 1463 L C 2.149 178.998 176.870 -0.035 0.000 1.105 1463 L CA 1.496 56.328 54.840 -0.013 0.000 0.775 1463 L CB -1.067 40.983 42.059 -0.014 0.000 0.913 1463 L HN 0.388 nan 8.230 nan 0.000 0.440 1464 L N -1.269 119.917 121.223 -0.063 0.000 2.265 1464 L HA -0.190 4.150 4.340 0.000 0.000 0.215 1464 L C 2.501 179.340 176.870 -0.052 0.000 1.117 1464 L CA 0.846 55.631 54.840 -0.091 0.000 0.782 1464 L CB -0.359 41.607 42.059 -0.155 0.000 0.914 1464 L HN 0.233 nan 8.230 nan 0.000 0.441 1465 R N -0.368 120.117 120.500 -0.026 0.000 2.153 1465 R HA 0.013 4.353 4.340 0.000 0.000 0.218 1465 R C 0.182 176.480 176.300 -0.005 0.000 1.072 1465 R CA 0.372 56.467 56.100 -0.007 0.000 0.990 1465 R CB -0.051 30.251 30.300 0.004 0.000 0.889 1465 R HN 0.123 nan 8.270 nan 0.000 0.452 1466 I N 1.423 121.989 120.570 -0.006 0.000 2.396 1466 I HA -0.036 4.135 4.170 0.000 0.000 0.289 1466 I C 0.470 176.586 176.117 -0.001 0.000 1.056 1466 I CA 0.509 61.810 61.300 0.002 0.000 1.365 1466 I CB 1.157 39.162 38.000 0.009 0.000 1.407 1466 I HN -0.102 nan 8.210 nan 0.000 0.509 1467 D N 3.542 123.944 120.400 0.003 0.000 2.535 1467 D HA 0.138 4.778 4.640 0.000 0.000 0.229 1467 D C -0.910 175.400 176.300 0.015 0.000 1.238 1467 D CA 0.144 54.146 54.000 0.003 0.000 0.824 1467 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 1467 D HN 0.446 nan 8.370 nan 0.000 0.500 1468 D N -0.258 120.153 120.400 0.019 0.000 2.931 1468 D HA 0.208 4.848 4.640 0.000 0.000 0.215 1468 D C -1.480 174.830 176.300 0.017 0.000 1.297 1468 D CA -0.438 53.575 54.000 0.021 0.000 0.892 1468 D CB 1.884 42.693 40.800 0.014 0.000 1.642 1468 D HN -0.256 nan 8.370 nan 0.000 0.560 1469 V N 4.983 124.908 119.914 0.019 0.000 2.378 1469 V HA 0.526 4.646 4.120 0.000 0.000 0.288 1469 V C 0.138 176.225 176.094 -0.011 0.000 1.016 1469 V CA -0.546 61.753 62.300 -0.002 0.000 0.840 1469 V CB 1.370 33.185 31.823 -0.013 0.000 0.994 1469 V HN 0.489 nan 8.190 nan 0.000 0.431 1470 I N 4.520 125.079 120.570 -0.018 0.000 2.411 1470 I HA 0.688 4.858 4.170 0.000 0.000 0.284 1470 I C 0.238 176.339 176.117 -0.027 0.000 1.012 1470 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 1470 I CB 1.744 39.737 38.000 -0.011 0.000 1.261 1470 I HN 0.646 nan 8.210 nan 0.000 0.448 1471 A N 5.117 127.918 122.820 -0.032 0.000 2.304 1471 A HA 0.861 5.181 4.320 0.000 0.000 0.323 1471 A C 0.161 177.731 177.584 -0.024 0.000 1.195 1471 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 1471 A CB 1.067 20.038 19.000 -0.049 0.000 1.184 1471 A HN 0.775 nan 8.150 nan 0.000 0.496 1472 A N 2.394 125.202 122.820 -0.020 0.000 2.386 1472 A HA 0.476 4.796 4.320 0.000 0.000 0.248 1472 A C 0.454 178.029 177.584 -0.015 0.000 1.082 1472 A CA -0.195 51.833 52.037 -0.015 0.000 0.789 1472 A CB 0.010 19.002 19.000 -0.012 0.000 1.025 1472 A HN 0.875 nan 8.150 nan 0.000 0.490 1473 E N 0.000 120.193 120.200 -0.012 0.000 2.725 1473 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1473 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 1473 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 1473 E HN 0.000 nan 8.360 nan 0.000 0.440