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_I DATA FIRST_RESID 3929 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 3929 V HA 0.000 nan 4.120 nan 0.000 0.244 3929 V C 0.000 176.086 176.094 -0.014 0.000 1.182 3929 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 3929 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 3930 L N 2.894 124.107 121.223 -0.017 0.000 2.307 3930 L HA 0.564 4.904 4.340 0.000 0.000 0.282 3930 L C -2.216 174.642 176.870 -0.020 0.000 1.051 3930 L CA -1.513 53.315 54.840 -0.020 0.000 0.804 3930 L CB 0.747 42.791 42.059 -0.025 0.000 1.197 3930 L HN 0.164 nan 8.230 nan 0.000 0.431 3931 P HA 0.100 nan 4.420 nan 0.000 0.268 3931 P C -0.738 176.550 177.300 -0.021 0.000 1.204 3931 P CA -0.233 62.857 63.100 -0.017 0.000 0.768 3931 P CB 0.444 32.136 31.700 -0.015 0.000 0.842 3932 E N 2.207 122.396 120.200 -0.019 0.000 2.360 3932 E HA 0.049 4.399 4.350 0.000 0.000 0.269 3932 E C 0.565 177.154 176.600 -0.018 0.000 1.022 3932 E CA 0.124 56.512 56.400 -0.021 0.000 0.887 3932 E CB 0.291 29.980 29.700 -0.018 0.000 0.990 3932 E HN 0.514 nan 8.360 nan 0.000 0.426 3933 N N 1.051 119.740 118.700 -0.019 0.000 2.993 3933 N HA -0.147 4.593 4.740 0.000 0.000 0.171 3933 N C -0.739 174.765 175.510 -0.010 0.000 1.446 3933 N CA 0.701 53.745 53.050 -0.011 0.000 1.542 3933 N CB -0.481 38.002 38.487 -0.007 0.000 1.042 3933 N HN 0.321 nan 8.380 nan 0.000 0.638 3934 M N 1.522 121.113 119.600 -0.016 0.000 2.250 3934 M HA 0.298 4.778 4.480 0.000 0.000 0.344 3934 M C -0.002 176.279 176.300 -0.032 0.000 1.150 3934 M CA 0.331 55.622 55.300 -0.015 0.000 1.147 3934 M CB 0.908 33.498 32.600 -0.018 0.000 1.498 3934 M HN 0.044 nan 8.290 nan 0.000 0.461 3935 K N 1.892 122.282 120.400 -0.018 0.000 2.244 3935 K HA 0.584 4.904 4.320 0.000 0.000 0.260 3935 K C -0.498 176.051 176.600 -0.083 0.000 0.951 3935 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 3935 K CB 2.405 34.931 32.500 0.044 0.000 1.108 3935 K HN 0.529 nan 8.250 nan 0.000 0.433 3936 R N 3.122 123.471 120.500 -0.251 0.000 2.532 3936 R HA 0.321 4.661 4.340 0.000 0.000 0.297 3936 R C -1.605 174.493 176.300 -0.336 0.000 0.984 3936 R CA -0.512 55.490 56.100 -0.164 0.000 0.884 3936 R CB 0.883 31.131 30.300 -0.087 0.000 1.182 3936 R HN 0.549 nan 8.270 nan 0.000 0.442 3937 Y N 3.285 123.589 120.300 0.006 0.000 2.562 3937 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 3937 Y C 0.231 176.132 175.900 0.001 0.000 1.025 3937 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 3937 Y CB 2.437 40.901 38.460 0.008 0.000 1.264 3937 Y HN 0.307 nan 8.280 nan 0.000 0.478 3938 M N 0.543 120.234 119.600 0.152 0.000 2.593 3938 M HA 0.584 5.064 4.480 0.000 0.000 0.290 3938 M C 0.459 176.794 176.300 0.059 0.000 1.244 3938 M CA -0.334 55.012 55.300 0.076 0.000 0.857 3938 M CB 2.472 35.095 32.600 0.039 0.000 1.738 3938 M HN 0.889 nan 8.290 nan 0.000 0.461 3939 G N 2.016 110.832 108.800 0.026 0.000 2.556 3939 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 3939 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 3939 G C 0.506 175.400 174.900 -0.010 0.000 1.177 3939 G CA 0.794 45.894 45.100 -0.001 0.000 0.978 3939 G HN 0.988 nan 8.290 nan 0.000 0.554 3940 R N 0.510 121.002 120.500 -0.014 0.000 2.237 3940 R HA 0.064 4.404 4.340 0.000 0.000 0.219 3940 R C 1.554 177.841 176.300 -0.021 0.000 1.080 3940 R CA 2.068 58.153 56.100 -0.025 0.000 0.995 3940 R CB -0.269 30.017 30.300 -0.024 0.000 0.875 3940 R HN 0.495 nan 8.270 nan 0.000 0.462 3941 D N 1.432 121.841 120.400 0.013 0.000 2.183 3941 D HA 0.007 4.647 4.640 0.000 0.000 0.205 3941 D C 1.960 178.248 176.300 -0.020 0.000 0.962 3941 D CA 1.349 55.357 54.000 0.013 0.000 0.849 3941 D CB -0.011 40.885 40.800 0.161 0.000 0.978 3941 D HN 0.392 nan 8.370 nan 0.000 0.488 3942 A N 1.159 124.019 122.820 0.067 0.000 1.902 3942 A HA -0.183 4.137 4.320 0.000 0.000 0.217 3942 A C 2.140 179.723 177.584 -0.003 0.000 1.181 3942 A CA 1.202 53.283 52.037 0.073 0.000 0.623 3942 A CB -0.286 18.762 19.000 0.080 0.000 0.818 3942 A HN 0.052 nan 8.150 nan 0.000 0.443 3943 Q N -0.724 119.060 119.800 -0.027 0.000 2.123 3943 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 3943 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 3943 Q CA 1.449 57.223 55.803 -0.050 0.000 0.845 3943 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 3943 Q HN 0.769 nan 8.270 nan 0.000 0.439 3944 R N -0.097 120.346 120.500 -0.094 0.000 2.070 3944 R HA -0.081 4.259 4.340 0.000 0.000 0.233 3944 R C 2.167 178.372 176.300 -0.158 0.000 1.137 3944 R CA 1.302 57.332 56.100 -0.117 0.000 0.945 3944 R CB 0.029 30.261 30.300 -0.115 0.000 0.845 3944 R HN 0.132 nan 8.270 nan 0.000 0.430 3945 M N 0.821 120.291 119.600 -0.217 0.000 2.132 3945 M HA -0.106 4.374 4.480 0.000 0.000 0.263 3945 M C 1.732 177.907 176.300 -0.208 0.000 1.065 3945 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 3945 M CB -1.136 31.209 32.600 -0.426 0.000 1.365 3945 M HN 0.165 nan 8.290 nan 0.000 0.411 3946 N N 0.660 119.280 118.700 -0.133 0.000 2.216 3946 N HA 0.002 4.742 4.740 0.000 0.000 0.183 3946 N C 1.850 177.221 175.510 -0.232 0.000 1.017 3946 N CA 1.102 54.066 53.050 -0.143 0.000 0.861 3946 N CB -0.260 38.271 38.487 0.073 0.000 0.986 3946 N HN 0.365 nan 8.380 nan 0.000 0.428 3947 I N 0.317 120.799 120.570 -0.148 0.000 2.252 3947 I HA -0.201 3.969 4.170 0.000 0.000 0.245 3947 I C 1.660 177.688 176.117 -0.148 0.000 1.102 3947 I CA 0.548 61.772 61.300 -0.126 0.000 1.385 3947 I CB -0.093 37.850 38.000 -0.096 0.000 1.064 3947 I HN 0.019 nan 8.210 nan 0.000 0.414 3948 L N 0.857 121.983 121.223 -0.162 0.000 2.127 3948 L HA -0.194 4.146 4.340 0.000 0.000 0.211 3948 L C 2.680 179.450 176.870 -0.166 0.000 1.089 3948 L CA 1.982 56.736 54.840 -0.144 0.000 0.757 3948 L CB -1.248 40.728 42.059 -0.137 0.000 0.899 3948 L HN 0.212 nan 8.230 nan 0.000 0.434 3949 A N -0.665 121.995 122.820 -0.268 0.000 1.908 3949 A HA -0.140 4.180 4.320 0.000 0.000 0.218 3949 A C 2.436 179.919 177.584 -0.168 0.000 1.181 3949 A CA 1.793 53.656 52.037 -0.290 0.000 0.627 3949 A CB -1.291 17.300 19.000 -0.681 0.000 0.818 3949 A HN 0.441 nan 8.150 nan 0.000 0.445 3950 G N -0.942 107.765 108.800 -0.154 0.000 2.402 3950 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 3950 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 3950 G C 1.727 176.589 174.900 -0.064 0.000 1.162 3950 G CA 0.861 45.913 45.100 -0.081 0.000 0.777 3950 G HN 0.451 nan 8.290 nan 0.000 0.539 3951 R N 0.503 120.958 120.500 -0.074 0.000 2.105 3951 R HA -0.025 4.315 4.340 0.000 0.000 0.239 3951 R C 2.511 178.780 176.300 -0.052 0.000 1.135 3951 R CA 1.121 57.186 56.100 -0.058 0.000 0.967 3951 R CB -0.476 29.788 30.300 -0.060 0.000 0.861 3951 R HN 0.456 nan 8.270 nan 0.000 0.442 3952 I N 0.812 121.347 120.570 -0.059 0.000 2.226 3952 I HA -0.307 3.863 4.170 0.000 0.000 0.245 3952 I C 2.215 178.311 176.117 -0.035 0.000 1.100 3952 I CA 0.845 62.117 61.300 -0.046 0.000 1.374 3952 I CB -0.229 37.741 38.000 -0.050 0.000 1.057 3952 I HN 0.113 nan 8.210 nan 0.000 0.413 3953 I N 1.029 121.579 120.570 -0.034 0.000 2.226 3953 I HA -0.255 3.915 4.170 0.000 0.000 0.245 3953 I C 2.850 178.954 176.117 -0.022 0.000 1.100 3953 I CA 1.694 62.980 61.300 -0.023 0.000 1.374 3953 I CB -1.559 36.430 38.000 -0.018 0.000 1.057 3953 I HN 0.184 nan 8.210 nan 0.000 0.413 3954 A N 0.450 123.254 122.820 -0.027 0.000 1.902 3954 A HA -0.197 4.123 4.320 0.000 0.000 0.217 3954 A C 2.232 179.799 177.584 -0.027 0.000 1.181 3954 A CA 1.443 53.464 52.037 -0.027 0.000 0.623 3954 A CB -0.608 18.373 19.000 -0.031 0.000 0.818 3954 A HN 0.470 nan 8.150 nan 0.000 0.443 3955 E N -0.896 119.287 120.200 -0.028 0.000 2.204 3955 E HA -0.106 4.244 4.350 0.000 0.000 0.194 3955 E C 1.947 178.533 176.600 -0.023 0.000 0.989 3955 E CA 1.399 57.783 56.400 -0.027 0.000 0.824 3955 E CB -0.186 29.498 29.700 -0.028 0.000 0.756 3955 E HN 0.629 nan 8.360 nan 0.000 0.477 3956 T N 0.693 115.235 114.554 -0.021 0.000 2.698 3956 T HA -0.113 4.237 4.350 0.000 0.000 0.260 3956 T C 2.174 176.864 174.700 -0.016 0.000 1.044 3956 T CA 1.544 63.634 62.100 -0.017 0.000 1.149 3956 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 3956 T HN 0.190 nan 8.240 nan 0.000 0.419 3957 V N 2.133 122.038 119.914 -0.016 0.000 3.129 3957 V HA 0.031 4.151 4.120 0.000 0.000 0.259 3957 V C 2.320 178.403 176.094 -0.019 0.000 1.116 3957 V CA 1.078 63.369 62.300 -0.015 0.000 1.127 3957 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 3957 V HN 0.478 nan 8.190 nan 0.000 0.474 3958 R N 2.772 123.259 120.500 -0.022 0.000 2.249 3958 R HA -0.134 4.206 4.340 0.000 0.000 0.230 3958 R C 2.015 178.299 176.300 -0.027 0.000 1.121 3958 R CA 1.778 57.862 56.100 -0.026 0.000 0.997 3958 R CB -1.208 29.075 30.300 -0.029 0.000 0.867 3958 R HN 0.706 nan 8.270 nan 0.000 0.465 3959 S N 0.293 115.979 115.700 -0.024 0.000 2.515 3959 S HA -0.084 4.386 4.470 0.000 0.000 0.231 3959 S C 1.732 176.317 174.600 -0.025 0.000 0.987 3959 S CA 0.865 59.050 58.200 -0.024 0.000 0.936 3959 S CB -0.056 63.131 63.200 -0.020 0.000 0.766 3959 S HN 0.588 nan 8.310 nan 0.000 0.528 3960 T N -0.689 113.851 114.554 -0.023 0.000 3.044 3960 T HA 0.390 4.740 4.350 0.000 0.000 0.250 3960 T C 0.512 175.196 174.700 -0.027 0.000 1.081 3960 T CA -0.477 61.611 62.100 -0.021 0.000 1.040 3960 T CB -0.500 68.360 68.868 -0.014 0.000 0.962 3960 T HN 0.301 nan 8.240 nan 0.000 0.506 3961 L N 2.220 123.424 121.223 -0.032 0.000 2.456 3961 L HA 0.504 4.844 4.340 0.000 0.000 0.272 3961 L C 1.195 178.034 176.870 -0.051 0.000 1.189 3961 L CA 0.942 55.760 54.840 -0.036 0.000 0.846 3961 L CB -0.157 41.880 42.059 -0.037 0.000 1.111 3961 L HN 0.670 nan 8.230 nan 0.000 0.475 3962 G N 3.182 111.952 108.800 -0.050 0.000 2.663 3962 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 3962 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 3962 G C -2.403 172.440 174.900 -0.095 0.000 1.246 3962 G CA -0.728 44.326 45.100 -0.076 0.000 0.795 3962 G HN 0.472 nan 8.290 nan 0.000 0.627 3963 P HA -0.009 nan 4.420 nan 0.000 0.218 3963 P C 1.255 178.366 177.300 -0.315 0.000 1.148 3963 P CA 1.294 64.287 63.100 -0.177 0.000 0.822 3963 P CB 0.159 31.708 31.700 -0.251 0.000 0.784 3964 K N -0.330 119.843 120.400 -0.377 0.000 2.576 3964 K HA 0.293 4.613 4.320 0.000 0.000 0.209 3964 K C 0.956 177.469 176.600 -0.145 0.000 1.049 3964 K CA -0.126 55.992 56.287 -0.281 0.000 1.140 3964 K CB -0.019 32.280 32.500 -0.335 0.000 0.871 3964 K HN 0.057 nan 8.250 nan 0.000 0.479 3965 G N 0.845 109.580 108.800 -0.109 0.000 2.634 3965 G HA2 0.238 4.198 3.960 0.000 0.000 0.255 3965 G HA3 0.238 4.198 3.960 0.000 0.000 0.255 3965 G C 0.281 175.154 174.900 -0.046 0.000 1.205 3965 G CA -0.393 44.667 45.100 -0.067 0.000 0.884 3965 G HN -0.027 nan 8.290 nan 0.000 0.549 3966 M N -0.150 119.430 119.600 -0.034 0.000 2.679 3966 M HA 0.441 4.921 4.480 0.000 0.000 0.287 3966 M C -0.588 175.704 176.300 -0.013 0.000 1.202 3966 M CA -0.639 54.648 55.300 -0.022 0.000 0.911 3966 M CB 1.270 33.857 32.600 -0.021 0.000 1.556 3966 M HN 0.344 nan 8.290 nan 0.000 0.511 3967 D N 0.138 120.534 120.400 -0.007 0.000 2.449 3967 D HA 0.600 5.240 4.640 0.000 0.000 0.250 3967 D C -0.698 175.602 176.300 0.001 0.000 1.050 3967 D CA -0.418 53.582 54.000 0.000 0.000 1.024 3967 D CB 1.496 42.301 40.800 0.007 0.000 1.218 3967 D HN 0.263 nan 8.370 nan 0.000 0.566 3968 K N 0.133 120.537 120.400 0.006 0.000 2.385 3968 K HA 0.546 4.866 4.320 0.000 0.000 0.248 3968 K C -0.799 175.811 176.600 0.016 0.000 0.955 3968 K CA -0.815 55.477 56.287 0.007 0.000 0.816 3968 K CB 2.824 35.327 32.500 0.005 0.000 1.250 3968 K HN 0.276 nan 8.250 nan 0.000 0.434 3969 M N 3.498 123.106 119.600 0.015 0.000 2.078 3969 M HA 0.314 4.794 4.480 0.000 0.000 0.320 3969 M C -1.871 174.443 176.300 0.024 0.000 0.969 3969 M CA -0.959 54.356 55.300 0.025 0.000 0.929 3969 M CB 0.578 33.187 32.600 0.014 0.000 1.504 3969 M HN 0.396 nan 8.290 nan 0.000 0.419 3970 L N 5.472 126.714 121.223 0.032 0.000 2.322 3970 L HA 0.626 4.966 4.340 0.000 0.000 0.281 3970 L C -0.881 176.009 176.870 0.032 0.000 1.014 3970 L CA -0.451 54.405 54.840 0.025 0.000 0.815 3970 L CB 2.164 44.235 42.059 0.019 0.000 1.247 3970 L HN 0.434 nan 8.230 nan 0.000 0.421 3971 V N 2.794 122.723 119.914 0.026 0.000 2.378 3971 V HA 0.358 4.478 4.120 0.000 0.000 0.288 3971 V C -0.313 175.792 176.094 0.019 0.000 1.016 3971 V CA -0.975 61.342 62.300 0.028 0.000 0.840 3971 V CB 1.449 33.288 31.823 0.026 0.000 0.994 3971 V HN 0.841 nan 8.190 nan 0.000 0.431 3972 D N 3.486 123.896 120.400 0.017 0.000 2.398 3972 D HA 0.003 4.643 4.640 0.000 0.000 0.264 3972 D C 1.032 177.338 176.300 0.010 0.000 1.263 3972 D CA -0.218 53.789 54.000 0.011 0.000 1.037 3972 D CB 0.470 41.274 40.800 0.007 0.000 1.101 3972 D HN 0.570 nan 8.370 nan 0.000 0.551 3973 D N -0.849 119.555 120.400 0.007 0.000 2.348 3973 D HA -0.122 4.518 4.640 0.000 0.000 0.216 3973 D C 1.661 177.965 176.300 0.006 0.000 0.970 3973 D CA 0.503 54.507 54.000 0.006 0.000 0.889 3973 D CB -0.154 40.648 40.800 0.005 0.000 0.912 3973 D HN 0.381 nan 8.370 nan 0.000 0.524 3974 L N -0.850 120.377 121.223 0.007 0.000 2.554 3974 L HA 0.306 4.646 4.340 0.000 0.000 0.225 3974 L C 1.850 178.726 176.870 0.010 0.000 1.104 3974 L CA 0.542 55.386 54.840 0.006 0.000 0.866 3974 L CB 0.257 42.318 42.059 0.004 0.000 1.047 3974 L HN 0.298 nan 8.230 nan 0.000 0.468 3975 G N -0.370 108.438 108.800 0.013 0.000 2.218 3975 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 3975 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 3975 G C 0.116 175.033 174.900 0.029 0.000 0.994 3975 G CA -0.022 45.090 45.100 0.020 0.000 0.637 3975 G HN 0.313 nan 8.290 nan 0.000 0.505 3976 D N 1.034 121.448 120.400 0.022 0.000 2.455 3976 D HA 0.394 5.034 4.640 0.000 0.000 0.241 3976 D C 0.484 176.811 176.300 0.045 0.000 1.138 3976 D CA 0.269 54.283 54.000 0.024 0.000 0.877 3976 D CB 1.238 42.036 40.800 -0.003 0.000 1.187 3976 D HN 0.272 nan 8.370 nan 0.000 0.451 3977 V N 4.370 124.341 119.914 0.095 0.000 2.398 3977 V HA 0.351 4.471 4.120 0.000 0.000 0.286 3977 V C 0.139 176.325 176.094 0.154 0.000 1.026 3977 V CA -0.806 61.592 62.300 0.165 0.000 0.868 3977 V CB 1.705 33.690 31.823 0.270 0.000 0.982 3977 V HN 0.346 nan 8.190 nan 0.000 0.443 3978 V N 5.483 125.462 119.914 0.109 0.000 2.495 3978 V HA 0.465 4.585 4.120 0.000 0.000 0.298 3978 V C -0.251 175.907 176.094 0.105 0.000 1.031 3978 V CA -0.646 61.697 62.300 0.070 0.000 0.871 3978 V CB 2.144 33.980 31.823 0.022 0.000 0.988 3978 V HN 0.598 nan 8.190 nan 0.000 0.432 3979 V N 4.197 124.183 119.914 0.120 0.000 2.347 3979 V HA 0.688 4.808 4.120 0.000 0.000 0.280 3979 V C 0.142 176.266 176.094 0.051 0.000 1.021 3979 V CA 0.059 62.413 62.300 0.091 0.000 0.847 3979 V CB 1.376 33.268 31.823 0.115 0.000 0.990 3979 V HN 1.004 nan 8.190 nan 0.000 0.444 3980 T N 2.925 117.500 114.554 0.034 0.000 2.821 3980 T HA 0.327 4.677 4.350 0.000 0.000 0.306 3980 T C 0.234 174.943 174.700 0.015 0.000 1.313 3980 T CA -0.417 61.697 62.100 0.022 0.000 1.012 3980 T CB 1.992 70.869 68.868 0.016 0.000 1.298 3980 T HN 0.634 nan 8.240 nan 0.000 0.502 3981 N N 1.041 119.748 118.700 0.011 0.000 2.210 3981 N HA 0.093 4.833 4.740 0.000 0.000 0.203 3981 N C -0.789 174.723 175.510 0.004 0.000 1.175 3981 N CA -0.020 53.033 53.050 0.006 0.000 0.894 3981 N CB 0.493 38.984 38.487 0.006 0.000 1.041 3981 N HN 0.571 nan 8.380 nan 0.000 0.506 3982 D N 0.286 120.689 120.400 0.006 0.000 2.412 3982 D HA 0.148 4.788 4.640 0.000 0.000 0.257 3982 D C 1.386 177.688 176.300 0.003 0.000 1.217 3982 D CA 0.266 54.269 54.000 0.004 0.000 0.897 3982 D CB 1.079 41.882 40.800 0.005 0.000 1.132 3982 D HN 0.305 nan 8.370 nan 0.000 0.493 3983 G N 1.818 110.618 108.800 0.001 0.000 2.421 3983 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 3983 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 3983 G C 1.584 176.485 174.900 0.001 0.000 1.171 3983 G CA 0.363 45.462 45.100 -0.001 0.000 0.775 3983 G HN 0.471 nan 8.290 nan 0.000 0.543 3984 V N 0.850 120.765 119.914 0.002 0.000 2.490 3984 V HA -0.150 3.970 4.120 0.000 0.000 0.250 3984 V C 2.952 179.048 176.094 0.003 0.000 1.061 3984 V CA 2.900 65.202 62.300 0.003 0.000 1.064 3984 V CB -0.625 31.200 31.823 0.004 0.000 0.670 3984 V HN 0.414 nan 8.190 nan 0.000 0.461 3985 T N 0.821 115.377 114.554 0.003 0.000 2.812 3985 T HA -0.052 4.298 4.350 0.000 0.000 0.264 3985 T C 1.849 176.551 174.700 0.004 0.000 1.042 3985 T CA 1.618 63.720 62.100 0.003 0.000 1.140 3985 T CB -0.185 68.685 68.868 0.004 0.000 0.870 3985 T HN 0.330 nan 8.240 nan 0.000 0.445 3986 I N 0.972 121.544 120.570 0.004 0.000 2.179 3986 I HA -0.069 4.101 4.170 0.000 0.000 0.242 3986 I C 2.176 178.295 176.117 0.004 0.000 1.088 3986 I CA 1.222 62.525 61.300 0.004 0.000 1.357 3986 I CB -1.196 36.806 38.000 0.002 0.000 1.051 3986 I HN 0.214 nan 8.210 nan 0.000 0.409 3987 L N 0.171 121.396 121.223 0.004 0.000 2.179 3987 L HA -0.042 4.298 4.340 0.000 0.000 0.208 3987 L C 2.607 179.480 176.870 0.006 0.000 1.096 3987 L CA 1.337 56.180 54.840 0.005 0.000 0.779 3987 L CB -0.964 41.097 42.059 0.004 0.000 0.922 3987 L HN 0.179 nan 8.230 nan 0.000 0.443 3988 R N -0.133 120.370 120.500 0.005 0.000 2.066 3988 R HA -0.118 4.222 4.340 0.000 0.000 0.232 3988 R C 1.934 178.238 176.300 0.005 0.000 1.131 3988 R CA 1.339 57.442 56.100 0.005 0.000 0.955 3988 R CB 0.034 30.336 30.300 0.004 0.000 0.851 3988 R HN 0.355 nan 8.270 nan 0.000 0.432 3989 E N 0.923 121.126 120.200 0.005 0.000 2.076 3989 E HA -0.063 4.287 4.350 0.000 0.000 0.190 3989 E C 1.257 177.861 176.600 0.007 0.000 0.979 3989 E CA 0.512 56.915 56.400 0.006 0.000 0.807 3989 E CB -0.256 29.448 29.700 0.006 0.000 0.761 3989 E HN 0.435 nan 8.360 nan 0.000 0.454 3990 M N -0.095 119.509 119.600 0.007 0.000 2.219 3990 M HA 0.069 4.549 4.480 0.000 0.000 0.307 3990 M C 0.459 176.764 176.300 0.009 0.000 1.116 3990 M CA 0.505 55.810 55.300 0.008 0.000 1.181 3990 M CB 0.546 33.150 32.600 0.007 0.000 1.410 3990 M HN -0.268 nan 8.290 nan 0.000 0.454 3991 S N 2.251 117.957 115.700 0.010 0.000 2.512 3991 S HA 0.467 4.937 4.470 0.000 0.000 0.291 3991 S C -0.756 173.853 174.600 0.015 0.000 1.151 3991 S CA -0.808 57.399 58.200 0.011 0.000 1.120 3991 S CB -0.138 63.068 63.200 0.010 0.000 1.029 3991 S HN 0.531 nan 8.310 nan 0.000 0.485 3992 V N 5.097 125.022 119.914 0.018 0.000 2.607 3992 V HA 0.375 4.495 4.120 0.000 0.000 0.289 3992 V C 0.857 176.971 176.094 0.033 0.000 1.053 3992 V CA -0.308 62.008 62.300 0.028 0.000 0.996 3992 V CB 1.566 33.407 31.823 0.030 0.000 0.995 3992 V HN 0.751 nan 8.190 nan 0.000 0.476 3993 E N 0.943 121.172 120.200 0.049 0.000 2.228 3993 E HA 0.078 4.428 4.350 0.000 0.000 0.197 3993 E C 0.714 177.347 176.600 0.055 0.000 0.909 3993 E CA 0.159 56.586 56.400 0.044 0.000 0.911 3993 E CB -0.047 29.679 29.700 0.043 0.000 0.887 3993 E HN 0.701 nan 8.360 nan 0.000 0.481 3994 H N 2.435 121.505 119.070 0.001 0.000 2.764 3994 H HA 0.051 4.606 4.556 -0.000 0.000 0.341 3994 H C -1.750 173.578 175.328 -0.001 0.000 1.072 3994 H CA -1.490 54.558 56.048 0.001 0.000 1.444 3994 H CB 1.605 31.365 29.762 -0.004 0.000 1.458 3994 H HN -0.209 nan 8.280 nan 0.000 0.572 3995 P HA -0.137 nan 4.420 nan 0.000 0.215 3995 P C 1.043 178.446 177.300 0.172 0.000 1.153 3995 P CA 2.172 65.286 63.100 0.023 0.000 0.853 3995 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 3996 A N -0.125 122.954 122.820 0.433 0.000 1.898 3996 A HA -0.042 4.278 4.320 0.000 0.000 0.216 3996 A C 2.311 179.950 177.584 0.092 0.000 1.181 3996 A CA 1.881 54.043 52.037 0.208 0.000 0.620 3996 A CB -1.552 17.517 19.000 0.114 0.000 0.819 3996 A HN 0.185 nan 8.150 nan 0.000 0.442 3997 A N -0.155 122.724 122.820 0.099 0.000 1.972 3997 A HA -0.129 4.191 4.320 0.000 0.000 0.219 3997 A C 2.053 179.665 177.584 0.046 0.000 1.169 3997 A CA 1.700 53.759 52.037 0.036 0.000 0.635 3997 A CB -0.375 18.642 19.000 0.028 0.000 0.810 3997 A HN 0.540 nan 8.150 nan 0.000 0.446 3998 K N -0.916 119.526 120.400 0.070 0.000 2.211 3998 K HA -0.030 4.290 4.320 0.000 0.000 0.203 3998 K C 1.791 178.411 176.600 0.034 0.000 1.050 3998 K CA 1.107 57.420 56.287 0.044 0.000 0.945 3998 K CB -0.181 32.343 32.500 0.040 0.000 0.732 3998 K HN 0.354 nan 8.250 nan 0.000 0.451 3999 M N 0.234 119.857 119.600 0.039 0.000 2.229 3999 M HA -0.093 4.387 4.480 0.000 0.000 0.264 3999 M C 1.861 178.174 176.300 0.021 0.000 1.063 3999 M CA 1.222 56.539 55.300 0.029 0.000 1.114 3999 M CB -0.657 31.962 32.600 0.031 0.000 1.387 3999 M HN 0.073 nan 8.290 nan 0.000 0.420 4000 L N -0.017 121.216 121.223 0.017 0.000 2.201 4000 L HA -0.062 4.278 4.340 0.000 0.000 0.212 4000 L C 2.255 179.131 176.870 0.010 0.000 1.105 4000 L CA 1.197 56.043 54.840 0.010 0.000 0.775 4000 L CB -0.810 41.250 42.059 0.002 0.000 0.913 4000 L HN 0.214 nan 8.230 nan 0.000 0.440 4001 I N -0.940 119.637 120.570 0.013 0.000 2.226 4001 I HA -0.270 3.900 4.170 0.000 0.000 0.245 4001 I C 2.458 178.581 176.117 0.011 0.000 1.100 4001 I CA 0.999 62.306 61.300 0.011 0.000 1.374 4001 I CB -0.145 37.863 38.000 0.013 0.000 1.057 4001 I HN 0.230 nan 8.210 nan 0.000 0.413 4002 E N 0.866 121.074 120.200 0.014 0.000 2.110 4002 E HA -0.156 4.194 4.350 0.000 0.000 0.193 4002 E C 2.129 178.738 176.600 0.014 0.000 0.988 4002 E CA 1.126 57.534 56.400 0.013 0.000 0.804 4002 E CB -0.088 29.621 29.700 0.015 0.000 0.745 4002 E HN 0.241 nan 8.360 nan 0.000 0.458 4003 V N 0.597 120.520 119.914 0.015 0.000 2.343 4003 V HA -0.267 3.853 4.120 0.000 0.000 0.247 4003 V C 2.319 178.420 176.094 0.012 0.000 1.051 4003 V CA 1.843 64.152 62.300 0.015 0.000 1.036 4003 V CB -0.900 30.932 31.823 0.015 0.000 0.654 4003 V HN 0.443 nan 8.190 nan 0.000 0.451 4004 A N -0.505 122.321 122.820 0.009 0.000 1.930 4004 A HA -0.205 4.115 4.320 0.000 0.000 0.217 4004 A C 2.299 179.887 177.584 0.007 0.000 1.175 4004 A CA 1.758 53.799 52.037 0.007 0.000 0.627 4004 A CB -0.376 18.627 19.000 0.005 0.000 0.815 4004 A HN 0.538 nan 8.150 nan 0.000 0.443 4005 K N -0.576 119.829 120.400 0.008 0.000 2.097 4005 K HA -0.099 4.221 4.320 0.000 0.000 0.205 4005 K C 2.228 178.833 176.600 0.008 0.000 1.050 4005 K CA 1.716 58.008 56.287 0.007 0.000 0.938 4005 K CB -0.308 32.196 32.500 0.008 0.000 0.718 4005 K HN 0.732 nan 8.250 nan 0.000 0.442 4006 T N -1.204 113.356 114.554 0.010 0.000 2.904 4006 T HA -0.140 4.210 4.350 0.000 0.000 0.267 4006 T C 2.000 176.707 174.700 0.011 0.000 1.059 4006 T CA 0.842 62.949 62.100 0.011 0.000 1.137 4006 T CB 0.004 68.881 68.868 0.014 0.000 0.879 4006 T HN 0.012 nan 8.240 nan 0.000 0.467 4007 Q N 1.338 121.145 119.800 0.011 0.000 2.083 4007 Q HA -0.056 4.285 4.340 0.000 0.000 0.198 4007 Q C 2.394 178.399 176.000 0.008 0.000 0.969 4007 Q CA 1.570 57.379 55.803 0.010 0.000 0.838 4007 Q CB -0.414 28.329 28.738 0.009 0.000 0.900 4007 Q HN 0.625 nan 8.270 nan 0.000 0.436 4008 E N 0.542 120.746 120.200 0.007 0.000 2.051 4008 E HA -0.236 4.114 4.350 0.000 0.000 0.192 4008 E C 1.815 178.418 176.600 0.005 0.000 0.991 4008 E CA 1.478 57.881 56.400 0.005 0.000 0.799 4008 E CB -0.136 29.566 29.700 0.004 0.000 0.748 4008 E HN 0.368 nan 8.360 nan 0.000 0.449 4009 K N 0.167 120.570 120.400 0.005 0.000 2.057 4009 K HA -0.203 4.117 4.320 0.000 0.000 0.207 4009 K C 2.181 178.784 176.600 0.005 0.000 1.049 4009 K CA 1.768 58.058 56.287 0.005 0.000 0.931 4009 K CB -0.058 32.445 32.500 0.005 0.000 0.714 4009 K HN -0.066 nan 8.250 nan 0.000 0.440 4010 E N -0.415 119.789 120.200 0.007 0.000 2.086 4010 E HA -0.058 4.292 4.350 0.000 0.000 0.190 4010 E C 1.564 178.168 176.600 0.008 0.000 0.975 4010 E CA 1.110 57.515 56.400 0.008 0.000 0.813 4010 E CB 0.356 30.062 29.700 0.010 0.000 0.768 4010 E HN 0.132 nan 8.360 nan 0.000 0.457 4011 V N -1.593 118.326 119.914 0.008 0.000 2.806 4011 V HA 0.391 4.511 4.120 0.000 0.000 0.239 4011 V C 1.656 177.755 176.094 0.008 0.000 1.113 4011 V CA 0.849 63.154 62.300 0.008 0.000 1.137 4011 V CB 0.395 32.224 31.823 0.010 0.000 0.865 4011 V HN 0.506 nan 8.190 nan 0.000 0.482 4012 G N 0.131 108.935 108.800 0.007 0.000 4.391 4012 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 4012 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 4012 G C 0.143 175.047 174.900 0.007 0.000 1.547 4012 G CA 0.279 45.383 45.100 0.006 0.000 1.103 4012 G HN 0.441 nan 8.290 nan 0.000 0.637 4013 D N 1.705 122.110 120.400 0.008 0.000 2.387 4013 D HA 0.481 5.121 4.640 0.000 0.000 0.251 4013 D C 1.417 177.722 176.300 0.007 0.000 1.141 4013 D CA 1.264 55.269 54.000 0.009 0.000 0.987 4013 D CB 0.808 41.615 40.800 0.011 0.000 1.116 4013 D HN 1.721 nan 8.370 nan 0.000 0.491 4014 G N 0.432 109.235 108.800 0.006 0.000 2.143 4014 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 4014 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 4014 G C 1.010 175.910 174.900 0.001 0.000 0.981 4014 G CA 1.204 46.306 45.100 0.003 0.000 0.665 4014 G HN 0.613 nan 8.290 nan 0.000 0.528 4015 T N -3.141 111.414 114.554 0.002 0.000 2.821 4015 T HA -0.042 4.308 4.350 0.000 0.000 0.267 4015 T C 2.206 176.905 174.700 -0.002 0.000 1.046 4015 T CA 2.431 64.532 62.100 0.002 0.000 1.139 4015 T CB -0.410 68.460 68.868 0.002 0.000 0.871 4015 T HN 0.276 nan 8.240 nan 0.000 0.454 4016 T N 1.896 116.447 114.554 -0.005 0.000 2.812 4016 T HA -0.043 4.307 4.350 0.000 0.000 0.264 4016 T C 2.234 176.926 174.700 -0.014 0.000 1.042 4016 T CA 1.639 63.733 62.100 -0.010 0.000 1.140 4016 T CB -0.843 68.018 68.868 -0.012 0.000 0.870 4016 T HN 0.482 nan 8.240 nan 0.000 0.445 4017 T N 2.182 116.728 114.554 -0.013 0.000 2.684 4017 T HA -0.097 4.253 4.350 0.000 0.000 0.267 4017 T C 2.383 177.072 174.700 -0.018 0.000 1.036 4017 T CA 1.311 63.400 62.100 -0.018 0.000 1.148 4017 T CB -0.546 68.314 68.868 -0.014 0.000 0.863 4017 T HN 0.436 nan 8.240 nan 0.000 0.436 4018 A N 0.742 123.557 122.820 -0.009 0.000 1.902 4018 A HA -0.028 4.292 4.320 0.000 0.000 0.217 4018 A C 2.592 180.173 177.584 -0.006 0.000 1.181 4018 A CA 1.358 53.393 52.037 -0.003 0.000 0.623 4018 A CB -0.894 18.109 19.000 0.006 0.000 0.818 4018 A HN 0.365 nan 8.150 nan 0.000 0.443 4019 V N -0.963 118.946 119.914 -0.007 0.000 2.323 4019 V HA -0.175 3.945 4.120 0.000 0.000 0.244 4019 V C 2.468 178.552 176.094 -0.017 0.000 1.041 4019 V CA 1.787 64.082 62.300 -0.008 0.000 1.025 4019 V CB -0.632 31.187 31.823 -0.007 0.000 0.656 4019 V HN 0.375 nan 8.190 nan 0.000 0.451 4020 V N -0.373 119.527 119.914 -0.023 0.000 2.515 4020 V HA -0.168 3.952 4.120 0.000 0.000 0.250 4020 V C 2.322 178.391 176.094 -0.042 0.000 1.058 4020 V CA 1.936 64.217 62.300 -0.031 0.000 1.064 4020 V CB 0.316 32.120 31.823 -0.033 0.000 0.675 4020 V HN 0.386 nan 8.190 nan 0.000 0.461 4021 V N 0.342 120.227 119.914 -0.048 0.000 2.358 4021 V HA -0.153 3.967 4.120 0.000 0.000 0.246 4021 V C 2.771 178.828 176.094 -0.061 0.000 1.047 4021 V CA 1.891 64.145 62.300 -0.076 0.000 1.035 4021 V CB -1.072 30.698 31.823 -0.088 0.000 0.658 4021 V HN 0.618 nan 8.190 nan 0.000 0.452 4022 A N 0.498 123.302 122.820 -0.027 0.000 1.933 4022 A HA -0.098 4.222 4.320 0.000 0.000 0.218 4022 A C 2.374 179.955 177.584 -0.006 0.000 1.175 4022 A CA 2.000 54.037 52.037 -0.001 0.000 0.628 4022 A CB -1.084 17.922 19.000 0.008 0.000 0.814 4022 A HN 0.530 nan 8.150 nan 0.000 0.444 4023 G N -0.823 107.965 108.800 -0.020 0.000 2.394 4023 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 4023 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 4023 G C 1.463 176.348 174.900 -0.026 0.000 1.165 4023 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 4023 G HN 0.532 nan 8.290 nan 0.000 0.535 4024 E N 0.330 120.511 120.200 -0.030 0.000 2.106 4024 E HA 0.035 4.385 4.350 0.000 0.000 0.192 4024 E C 2.498 179.095 176.600 -0.005 0.000 0.984 4024 E CA 0.474 56.855 56.400 -0.031 0.000 0.806 4024 E CB -0.330 29.337 29.700 -0.054 0.000 0.750 4024 E HN 0.426 nan 8.360 nan 0.000 0.458 4025 L N -0.329 120.899 121.223 0.009 0.000 2.046 4025 L HA -0.176 4.164 4.340 0.000 0.000 0.208 4025 L C 2.130 179.074 176.870 0.122 0.000 1.077 4025 L CA 0.526 55.446 54.840 0.133 0.000 0.747 4025 L CB -0.383 41.771 42.059 0.159 0.000 0.896 4025 L HN 0.229 nan 8.230 nan 0.000 0.432 4026 L N -0.245 120.991 121.223 0.022 0.000 2.083 4026 L HA -0.191 4.149 4.340 0.000 0.000 0.209 4026 L C 2.703 179.557 176.870 -0.027 0.000 1.083 4026 L CA 1.601 56.421 54.840 -0.033 0.000 0.752 4026 L CB -0.802 41.231 42.059 -0.044 0.000 0.899 4026 L HN 0.183 nan 8.230 nan 0.000 0.433 4027 R N -0.651 119.842 120.500 -0.011 0.000 2.073 4027 R HA -0.140 4.200 4.340 0.000 0.000 0.234 4027 R C 2.103 178.408 176.300 0.007 0.000 1.134 4027 R CA 1.151 57.242 56.100 -0.014 0.000 0.952 4027 R CB 0.053 30.343 30.300 -0.018 0.000 0.850 4027 R HN 0.132 nan 8.270 nan 0.000 0.433 4028 K N 0.110 120.536 120.400 0.044 0.000 2.155 4028 K HA 0.010 4.330 4.320 0.000 0.000 0.203 4028 K C 1.907 178.574 176.600 0.113 0.000 1.052 4028 K CA 1.090 57.425 56.287 0.080 0.000 0.948 4028 K CB -0.129 32.434 32.500 0.106 0.000 0.728 4028 K HN 0.258 nan 8.250 nan 0.000 0.448 4029 A N 1.586 124.467 122.820 0.102 0.000 1.930 4029 A HA -0.162 4.158 4.320 0.000 0.000 0.217 4029 A C 2.154 179.719 177.584 -0.033 0.000 1.175 4029 A CA 1.324 53.358 52.037 -0.006 0.000 0.627 4029 A CB -0.236 18.624 19.000 -0.234 0.000 0.815 4029 A HN 0.219 nan 8.150 nan 0.000 0.443 4030 E N -0.114 120.066 120.200 -0.033 0.000 2.106 4030 E HA -0.208 4.142 4.350 0.000 0.000 0.192 4030 E C 1.940 178.527 176.600 -0.021 0.000 0.984 4030 E CA 1.483 57.859 56.400 -0.040 0.000 0.806 4030 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 4030 E HN 0.626 nan 8.360 nan 0.000 0.458 4031 E N 0.491 120.689 120.200 -0.004 0.000 2.153 4031 E HA -0.157 4.193 4.350 0.000 0.000 0.194 4031 E C 2.047 178.655 176.600 0.013 0.000 0.988 4031 E CA 0.597 57.000 56.400 0.004 0.000 0.811 4031 E CB -0.327 29.380 29.700 0.012 0.000 0.746 4031 E HN 0.182 nan 8.360 nan 0.000 0.466 4032 L N -0.130 121.110 121.223 0.028 0.000 2.109 4032 L HA 0.011 4.351 4.340 0.000 0.000 0.207 4032 L C 2.011 178.889 176.870 0.013 0.000 1.086 4032 L CA 1.422 56.285 54.840 0.038 0.000 0.760 4032 L CB -0.319 41.789 42.059 0.082 0.000 0.910 4032 L HN 0.240 nan 8.230 nan 0.000 0.437 4033 L N -0.731 120.486 121.223 -0.010 0.000 2.141 4033 L HA -0.188 4.152 4.340 0.000 0.000 0.209 4033 L C 2.148 179.004 176.870 -0.023 0.000 1.094 4033 L CA 1.426 56.248 54.840 -0.030 0.000 0.763 4033 L CB -0.600 41.427 42.059 -0.053 0.000 0.908 4033 L HN 0.318 nan 8.230 nan 0.000 0.437 4034 D N -0.572 119.818 120.400 -0.017 0.000 2.178 4034 D HA -0.187 4.453 4.640 0.000 0.000 0.202 4034 D C 2.078 178.375 176.300 -0.005 0.000 0.974 4034 D CA 0.859 54.851 54.000 -0.013 0.000 0.841 4034 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 4034 D HN 0.144 nan 8.370 nan 0.000 0.478 4035 Q N 0.189 119.990 119.800 0.002 0.000 2.482 4035 Q HA 0.023 4.363 4.340 0.000 0.000 0.209 4035 Q C -0.032 175.974 176.000 0.010 0.000 0.961 4035 Q CA 0.273 56.080 55.803 0.008 0.000 0.945 4035 Q CB -0.062 28.684 28.738 0.014 0.000 1.012 4035 Q HN 0.360 nan 8.270 nan 0.000 0.515 4036 N N -0.259 118.444 118.700 0.005 0.000 2.780 4036 N HA -0.127 4.613 4.740 0.000 0.000 0.247 4036 N C -1.185 174.339 175.510 0.024 0.000 1.076 4036 N CA 0.351 53.407 53.050 0.008 0.000 0.688 4036 N CB -1.630 36.866 38.487 0.014 0.000 0.957 4036 N HN -0.015 nan 8.380 nan 0.000 0.551 4037 V N 1.661 121.587 119.914 0.021 0.000 2.350 4037 V HA 0.129 4.249 4.120 0.000 0.000 0.276 4037 V C 0.982 177.100 176.094 0.041 0.000 1.028 4037 V CA -0.732 61.594 62.300 0.044 0.000 0.860 4037 V CB 1.438 33.289 31.823 0.046 0.000 0.990 4037 V HN 0.324 nan 8.190 nan 0.000 0.453 4038 H N 8.025 127.098 119.070 0.005 0.000 3.001 4038 H HA 0.037 4.593 4.556 0.000 0.000 0.334 4038 H C -1.698 173.629 175.328 -0.002 0.000 1.034 4038 H CA -1.056 54.992 56.048 0.002 0.000 1.420 4038 H CB 1.687 31.450 29.762 0.002 0.000 1.405 4038 H HN 0.375 nan 8.280 nan 0.000 0.593 4039 P HA -0.173 nan 4.420 nan 0.000 0.218 4039 P C 1.501 178.856 177.300 0.091 0.000 1.146 4039 P CA 1.698 64.739 63.100 -0.099 0.000 0.820 4039 P CB 0.033 31.618 31.700 -0.191 0.000 0.778 4040 T N -1.875 112.900 114.554 0.369 0.000 2.929 4040 T HA -0.097 4.253 4.350 0.000 0.000 0.271 4040 T C 1.505 176.275 174.700 0.116 0.000 1.085 4040 T CA 0.845 63.075 62.100 0.218 0.000 1.125 4040 T CB -0.473 68.483 68.868 0.145 0.000 0.874 4040 T HN -0.147 nan 8.240 nan 0.000 0.494 4041 I N 0.120 120.765 120.570 0.124 0.000 2.385 4041 I HA 0.072 4.242 4.170 0.000 0.000 0.244 4041 I C 2.562 178.730 176.117 0.087 0.000 1.089 4041 I CA 0.652 62.002 61.300 0.083 0.000 1.410 4041 I CB -1.529 36.520 38.000 0.082 0.000 1.117 4041 I HN 0.112 nan 8.210 nan 0.000 0.429 4042 V N 1.081 121.039 119.914 0.074 0.000 2.469 4042 V HA -0.215 3.905 4.120 0.000 0.000 0.251 4042 V C 2.548 178.676 176.094 0.056 0.000 1.064 4042 V CA 1.587 63.931 62.300 0.074 0.000 1.066 4042 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 4042 V HN 0.184 nan 8.190 nan 0.000 0.461 4043 V N -0.081 119.846 119.914 0.022 0.000 2.427 4043 V HA -0.235 3.886 4.120 0.000 0.000 0.248 4043 V C 2.391 178.531 176.094 0.076 0.000 1.051 4043 V CA 2.490 64.807 62.300 0.028 0.000 1.048 4043 V CB -0.680 31.154 31.823 0.018 0.000 0.666 4043 V HN 0.608 nan 8.190 nan 0.000 0.456 4044 K N 0.206 120.648 120.400 0.070 0.000 2.021 4044 K HA -0.068 4.252 4.320 0.000 0.000 0.205 4044 K C 2.191 178.818 176.600 0.044 0.000 1.047 4044 K CA 1.424 57.739 56.287 0.046 0.000 0.943 4044 K CB -0.538 31.978 32.500 0.027 0.000 0.725 4044 K HN 0.439 nan 8.250 nan 0.000 0.439 4045 G N -0.208 108.637 108.800 0.075 0.000 2.408 4045 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 4045 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 4045 G C 1.147 176.038 174.900 -0.015 0.000 1.150 4045 G CA 0.668 45.780 45.100 0.019 0.000 0.776 4045 G HN 0.285 nan 8.290 nan 0.000 0.542 4046 Y N 0.407 120.677 120.300 -0.051 0.000 2.293 4046 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 4046 Y C 2.981 178.780 175.900 -0.170 0.000 1.137 4046 Y CA 1.368 59.433 58.100 -0.058 0.000 1.202 4046 Y CB -0.095 38.428 38.460 0.106 0.000 0.990 4046 Y HN 0.195 nan 8.280 nan 0.000 0.537 4047 Q N 0.369 120.204 119.800 0.060 0.000 2.049 4047 Q HA -0.141 4.199 4.340 0.000 0.000 0.198 4047 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 4047 Q CA 1.494 57.299 55.803 0.003 0.000 0.833 4047 Q CB -0.315 28.439 28.738 0.027 0.000 0.896 4047 Q HN 0.445 nan 8.270 nan 0.000 0.434 4048 A N 0.921 123.692 122.820 -0.082 0.000 1.877 4048 A HA -0.086 4.234 4.320 0.000 0.000 0.216 4048 A C 2.326 179.879 177.584 -0.051 0.000 1.186 4048 A CA 2.176 54.184 52.037 -0.048 0.000 0.620 4048 A CB -0.918 18.027 19.000 -0.090 0.000 0.822 4048 A HN 0.495 nan 8.150 nan 0.000 0.443 4049 A N -0.355 122.284 122.820 -0.302 0.000 1.930 4049 A HA 0.221 4.541 4.320 0.000 0.000 0.217 4049 A C 2.479 179.595 177.584 -0.779 0.000 1.175 4049 A CA 1.943 53.660 52.037 -0.533 0.000 0.627 4049 A CB -0.917 17.509 19.000 -0.957 0.000 0.815 4049 A HN 1.018 nan 8.150 nan 0.000 0.443 4050 A N -0.786 121.509 122.820 -0.875 0.000 1.898 4050 A HA -0.195 4.125 4.320 0.000 0.000 0.216 4050 A C 2.186 179.706 177.584 -0.107 0.000 1.181 4050 A CA 1.737 53.561 52.037 -0.355 0.000 0.620 4050 A CB -0.558 18.384 19.000 -0.097 0.000 0.819 4050 A HN 0.642 nan 8.150 nan 0.000 0.442 4051 Q N -0.699 119.044 119.800 -0.095 0.000 2.119 4051 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 4051 Q C 2.018 177.989 176.000 -0.047 0.000 0.972 4051 Q CA 1.902 57.682 55.803 -0.037 0.000 0.847 4051 Q CB -0.063 28.666 28.738 -0.015 0.000 0.903 4051 Q HN 0.453 nan 8.270 nan 0.000 0.433 4052 K N 0.272 120.628 120.400 -0.073 0.000 2.103 4052 K HA 0.001 4.321 4.320 0.000 0.000 0.204 4052 K C 1.699 178.247 176.600 -0.086 0.000 1.052 4052 K CA 1.303 57.506 56.287 -0.140 0.000 0.945 4052 K CB -0.473 31.855 32.500 -0.287 0.000 0.722 4052 K HN 0.266 nan 8.250 nan 0.000 0.443 4053 A N 0.697 123.497 122.820 -0.033 0.000 1.933 4053 A HA -0.227 4.093 4.320 0.000 0.000 0.218 4053 A C 2.205 179.812 177.584 0.039 0.000 1.175 4053 A CA 1.832 53.901 52.037 0.053 0.000 0.628 4053 A CB -0.637 18.483 19.000 0.199 0.000 0.814 4053 A HN 0.580 nan 8.150 nan 0.000 0.444 4054 Q N -0.344 119.471 119.800 0.025 0.000 2.084 4054 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 4054 Q C 1.897 177.898 176.000 0.001 0.000 0.978 4054 Q CA 1.821 57.636 55.803 0.020 0.000 0.844 4054 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 4054 Q HN 0.788 nan 8.270 nan 0.000 0.426 4055 E N 0.228 120.416 120.200 -0.020 0.000 2.110 4055 E HA -0.168 4.182 4.350 0.000 0.000 0.193 4055 E C 2.145 178.728 176.600 -0.028 0.000 0.988 4055 E CA 1.041 57.422 56.400 -0.031 0.000 0.804 4055 E CB -0.043 29.623 29.700 -0.058 0.000 0.745 4055 E HN 0.393 nan 8.360 nan 0.000 0.458 4056 L N 0.616 121.821 121.223 -0.030 0.000 2.056 4056 L HA -0.188 4.152 4.340 0.000 0.000 0.207 4056 L C 2.433 179.306 176.870 0.004 0.000 1.078 4056 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 4056 L CB -0.345 41.706 42.059 -0.015 0.000 0.901 4056 L HN 0.174 nan 8.230 nan 0.000 0.433 4057 L N -0.380 120.849 121.223 0.011 0.000 2.046 4057 L HA -0.211 4.129 4.340 0.000 0.000 0.208 4057 L C 2.589 179.466 176.870 0.012 0.000 1.077 4057 L CA 1.383 56.233 54.840 0.016 0.000 0.747 4057 L CB -0.431 41.641 42.059 0.021 0.000 0.896 4057 L HN 0.211 nan 8.230 nan 0.000 0.432 4058 K N -0.810 119.594 120.400 0.006 0.000 2.217 4058 K HA -0.079 4.241 4.320 0.000 0.000 0.202 4058 K C 2.057 178.658 176.600 0.001 0.000 1.051 4058 K CA 1.433 57.722 56.287 0.004 0.000 0.952 4058 K CB -0.136 32.364 32.500 -0.000 0.000 0.736 4058 K HN 0.275 nan 8.250 nan 0.000 0.453 4059 T N 2.061 116.614 114.554 -0.002 0.000 2.737 4059 T HA -0.077 4.273 4.350 0.000 0.000 0.265 4059 T C 1.898 176.601 174.700 0.005 0.000 1.038 4059 T CA 1.316 63.414 62.100 -0.003 0.000 1.144 4059 T CB -0.147 68.714 68.868 -0.010 0.000 0.866 4059 T HN 0.376 nan 8.240 nan 0.000 0.434 4060 I N -0.029 120.549 120.570 0.014 0.000 3.251 4060 I HA 0.395 4.565 4.170 0.000 0.000 0.277 4060 I C 1.114 177.241 176.117 0.018 0.000 1.268 4060 I CA -0.447 60.866 61.300 0.022 0.000 1.449 4060 I CB -0.556 37.469 38.000 0.042 0.000 1.083 4060 I HN -0.040 nan 8.210 nan 0.000 0.464 4061 A N 1.575 124.403 122.820 0.014 0.000 2.566 4061 A HA 0.123 4.443 4.320 0.000 0.000 0.245 4061 A C 0.112 177.702 177.584 0.010 0.000 1.056 4061 A CA -0.004 52.040 52.037 0.013 0.000 0.757 4061 A CB -0.301 18.706 19.000 0.010 0.000 0.979 4061 A HN 0.639 nan 8.150 nan 0.000 0.508 4062 C N 3.472 122.778 119.300 0.011 0.000 2.295 4062 C HA 0.481 4.941 4.460 0.000 0.000 0.331 4062 C C 0.524 175.518 174.990 0.007 0.000 1.280 4062 C CA -0.652 58.371 59.018 0.008 0.000 1.746 4062 C CB -0.296 27.449 27.740 0.009 0.000 2.328 4062 C HN 0.945 nan 8.230 nan 0.000 0.521 4063 E N 3.808 124.011 120.200 0.005 0.000 2.366 4063 E HA 0.424 4.774 4.350 0.000 0.000 0.266 4063 E C -0.258 176.345 176.600 0.004 0.000 1.015 4063 E CA -0.025 56.377 56.400 0.004 0.000 0.906 4063 E CB 0.728 30.429 29.700 0.003 0.000 0.979 4063 E HN 0.716 nan 8.360 nan 0.000 0.443 4064 V N 1.050 120.966 119.914 0.005 0.000 3.102 4064 V HA 0.718 4.838 4.120 0.000 0.000 0.312 4064 V C 0.364 176.460 176.094 0.004 0.000 1.135 4064 V CA -0.687 61.616 62.300 0.004 0.000 1.022 4064 V CB 1.505 33.331 31.823 0.005 0.000 1.056 4064 V HN 0.702 nan 8.190 nan 0.000 0.436 4065 G N 0.528 109.330 108.800 0.003 0.000 2.313 4065 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 4065 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 4065 G C 0.990 175.892 174.900 0.004 0.000 1.281 4065 G CA 0.223 45.325 45.100 0.003 0.000 0.917 4065 G HN 1.661 nan 8.290 nan 0.000 0.501 4066 A N 2.540 125.362 122.820 0.004 0.000 1.908 4066 A HA -0.093 4.227 4.320 0.000 0.000 0.218 4066 A C 2.057 179.643 177.584 0.004 0.000 1.181 4066 A CA 1.298 53.338 52.037 0.004 0.000 0.627 4066 A CB -0.068 18.935 19.000 0.004 0.000 0.818 4066 A HN 0.569 nan 8.150 nan 0.000 0.445 4067 Q N -0.316 119.486 119.800 0.004 0.000 2.198 4067 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 4067 Q C -0.734 175.269 176.000 0.004 0.000 0.848 4067 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 4067 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 4067 Q HN 0.745 nan 8.270 nan 0.000 0.494 4068 D N 1.144 121.546 120.400 0.004 0.000 2.389 4068 D HA -0.050 4.590 4.640 0.000 0.000 0.263 4068 D C 1.226 177.528 176.300 0.003 0.000 1.255 4068 D CA 0.144 54.146 54.000 0.003 0.000 0.914 4068 D CB 0.875 41.677 40.800 0.003 0.000 1.116 4068 D HN -0.228 nan 8.370 nan 0.000 0.502 4069 K N 3.628 124.029 120.400 0.003 0.000 2.015 4069 K HA -0.300 4.020 4.320 0.000 0.000 0.220 4069 K C 1.583 178.184 176.600 0.002 0.000 1.055 4069 K CA 2.240 58.529 56.287 0.003 0.000 0.951 4069 K CB -0.299 32.202 32.500 0.002 0.000 0.725 4069 K HN 0.682 nan 8.250 nan 0.000 0.449 4070 E N -0.544 119.656 120.200 0.001 0.000 2.048 4070 E HA -0.243 4.107 4.350 0.000 0.000 0.202 4070 E C 2.029 178.630 176.600 0.001 0.000 1.021 4070 E CA 1.899 58.298 56.400 -0.001 0.000 0.825 4070 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 4070 E HN 0.353 nan 8.360 nan 0.000 0.454 4071 I N 0.359 120.931 120.570 0.002 0.000 2.493 4071 I HA -0.183 3.987 4.170 0.000 0.000 0.254 4071 I C 1.861 177.981 176.117 0.006 0.000 1.160 4071 I CA 0.712 62.015 61.300 0.004 0.000 1.445 4071 I CB 0.001 38.004 38.000 0.005 0.000 1.086 4071 I HN 0.199 nan 8.210 nan 0.000 0.433 4072 L N -0.102 121.124 121.223 0.005 0.000 2.156 4072 L HA -0.094 4.246 4.340 0.000 0.000 0.208 4072 L C 2.631 179.505 176.870 0.006 0.000 1.095 4072 L CA 2.124 56.968 54.840 0.006 0.000 0.770 4072 L CB -1.438 40.625 42.059 0.006 0.000 0.914 4072 L HN 0.448 nan 8.230 nan 0.000 0.439 4073 T N -4.401 110.156 114.554 0.004 0.000 2.942 4073 T HA -0.108 4.242 4.350 0.000 0.000 0.265 4073 T C 1.893 176.595 174.700 0.003 0.000 1.062 4073 T CA 0.623 62.725 62.100 0.003 0.000 1.139 4073 T CB -0.145 68.722 68.868 -0.000 0.000 0.883 4073 T HN 0.185 nan 8.240 nan 0.000 0.468 4074 K N 0.757 121.158 120.400 0.003 0.000 2.097 4074 K HA 0.163 4.483 4.320 0.000 0.000 0.205 4074 K C 2.158 178.766 176.600 0.014 0.000 1.050 4074 K CA 1.107 57.397 56.287 0.005 0.000 0.938 4074 K CB -0.334 32.169 32.500 0.004 0.000 0.718 4074 K HN 0.372 nan 8.250 nan 0.000 0.442 4075 I N 1.034 121.612 120.570 0.014 0.000 2.163 4075 I HA -0.279 3.891 4.170 0.000 0.000 0.240 4075 I C 2.529 178.658 176.117 0.020 0.000 1.081 4075 I CA 1.143 62.454 61.300 0.018 0.000 1.353 4075 I CB -0.392 37.616 38.000 0.014 0.000 1.054 4075 I HN 0.132 nan 8.210 nan 0.000 0.407 4076 A N 0.650 123.479 122.820 0.016 0.000 1.883 4076 A HA -0.250 4.070 4.320 0.000 0.000 0.217 4076 A C 2.380 179.976 177.584 0.021 0.000 1.186 4076 A CA 1.859 53.906 52.037 0.016 0.000 0.624 4076 A CB -0.635 18.372 19.000 0.012 0.000 0.822 4076 A HN 0.340 nan 8.150 nan 0.000 0.444 4077 M N -0.306 119.305 119.600 0.019 0.000 2.099 4077 M HA -0.136 4.344 4.480 0.000 0.000 0.262 4077 M C 2.449 178.778 176.300 0.048 0.000 1.067 4077 M CA 2.091 57.405 55.300 0.023 0.000 1.124 4077 M CB -0.778 31.825 32.600 0.004 0.000 1.353 4077 M HN 0.711 nan 8.290 nan 0.000 0.410 4078 T N -2.694 111.891 114.554 0.052 0.000 2.915 4078 T HA -0.087 4.263 4.350 0.000 0.000 0.269 4078 T C 1.869 176.608 174.700 0.066 0.000 1.071 4078 T CA 1.546 63.694 62.100 0.080 0.000 1.132 4078 T CB -0.447 68.463 68.868 0.069 0.000 0.878 4078 T HN 0.317 nan 8.240 nan 0.000 0.479 4079 S N 1.110 116.837 115.700 0.045 0.000 2.355 4079 S HA 0.014 4.484 4.470 0.000 0.000 0.222 4079 S C 2.007 176.630 174.600 0.038 0.000 1.031 4079 S CA 0.874 59.095 58.200 0.035 0.000 0.993 4079 S CB -0.619 62.596 63.200 0.025 0.000 0.859 4079 S HN 0.598 nan 8.310 nan 0.000 0.453 4080 I N 1.760 122.356 120.570 0.042 0.000 2.361 4080 I HA -0.088 4.082 4.170 0.000 0.000 0.251 4080 I C 1.306 177.459 176.117 0.060 0.000 1.133 4080 I CA 0.876 62.203 61.300 0.044 0.000 1.413 4080 I CB -0.896 37.128 38.000 0.040 0.000 1.073 4080 I HN 0.444 nan 8.210 nan 0.000 0.424 4081 T N -0.621 113.986 114.554 0.089 0.000 2.903 4081 T HA 0.310 4.660 4.350 0.000 0.000 0.314 4081 T C 1.179 175.912 174.700 0.055 0.000 1.078 4081 T CA 0.102 62.277 62.100 0.124 0.000 1.114 4081 T CB 1.251 70.265 68.868 0.245 0.000 0.987 4081 T HN 0.595 nan 8.240 nan 0.000 0.548 4082 G N 1.295 110.110 108.800 0.026 0.000 2.159 4082 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 4082 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 4082 G C -0.077 174.824 174.900 0.002 0.000 0.977 4082 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 4082 G HN 0.946 nan 8.290 nan 0.000 0.531 4083 K N -0.989 119.424 120.400 0.021 0.000 2.395 4083 K HA 0.595 4.915 4.320 0.000 0.000 0.247 4083 K C 1.482 178.099 176.600 0.029 0.000 0.973 4083 K CA -0.608 55.692 56.287 0.022 0.000 0.828 4083 K CB 1.488 34.003 32.500 0.025 0.000 1.272 4083 K HN 0.188 nan 8.250 nan 0.000 0.439 4084 G N 0.626 109.442 108.800 0.027 0.000 2.462 4084 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 4084 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 4084 G C 1.198 176.119 174.900 0.034 0.000 1.121 4084 G CA 1.223 46.341 45.100 0.030 0.000 0.758 4084 G HN 0.624 nan 8.290 nan 0.000 0.559 4085 A N 1.296 124.137 122.820 0.034 0.000 2.168 4085 A HA 0.101 4.421 4.320 0.000 0.000 0.215 4085 A C 2.106 179.713 177.584 0.039 0.000 1.152 4085 A CA 1.483 53.540 52.037 0.033 0.000 0.716 4085 A CB -0.348 18.669 19.000 0.029 0.000 0.794 4085 A HN 0.649 nan 8.150 nan 0.000 0.465 4086 E N 1.497 121.728 120.200 0.051 0.000 2.267 4086 E HA -0.302 4.048 4.350 0.000 0.000 0.197 4086 E C 1.633 178.268 176.600 0.058 0.000 0.998 4086 E CA 1.398 57.840 56.400 0.069 0.000 0.830 4086 E CB -0.563 29.203 29.700 0.111 0.000 0.751 4086 E HN 0.782 nan 8.360 nan 0.000 0.491 4087 K N 0.928 121.356 120.400 0.048 0.000 2.218 4087 K HA -0.109 4.212 4.320 0.000 0.000 0.205 4087 K C 1.314 177.928 176.600 0.024 0.000 1.046 4087 K CA 1.580 57.889 56.287 0.037 0.000 0.933 4087 K CB -0.071 32.448 32.500 0.032 0.000 0.728 4087 K HN 0.164 nan 8.250 nan 0.000 0.454 4088 A N 1.696 124.530 122.820 0.023 0.000 2.674 4088 A HA 0.167 4.487 4.320 0.000 0.000 0.286 4088 A C 1.095 178.687 177.584 0.014 0.000 0.980 4088 A CA -0.678 51.368 52.037 0.015 0.000 1.028 4088 A CB 0.068 19.077 19.000 0.015 0.000 1.199 4088 A HN 0.408 nan 8.150 nan 0.000 0.499 4089 K N -0.131 120.279 120.400 0.016 0.000 2.280 4089 K HA -0.151 4.169 4.320 0.000 0.000 0.202 4089 K C 0.814 177.417 176.600 0.006 0.000 1.047 4089 K CA 1.808 58.105 56.287 0.016 0.000 0.942 4089 K CB -0.027 32.488 32.500 0.025 0.000 0.739 4089 K HN 0.311 nan 8.250 nan 0.000 0.457 4090 E N 1.551 121.749 120.200 -0.003 0.000 2.072 4090 E HA -0.136 4.214 4.350 0.000 0.000 0.190 4090 E C 1.887 178.486 176.600 -0.002 0.000 0.982 4090 E CA 1.238 57.633 56.400 -0.008 0.000 0.803 4090 E CB -0.038 29.653 29.700 -0.015 0.000 0.755 4090 E HN 0.251 nan 8.360 nan 0.000 0.453 4091 K N 0.651 121.052 120.400 0.002 0.000 2.097 4091 K HA -0.030 4.290 4.320 0.000 0.000 0.205 4091 K C 1.764 178.369 176.600 0.008 0.000 1.050 4091 K CA 0.932 57.222 56.287 0.005 0.000 0.938 4091 K CB -0.211 32.293 32.500 0.007 0.000 0.718 4091 K HN 0.084 nan 8.250 nan 0.000 0.442 4092 L N -0.166 121.063 121.223 0.010 0.000 2.056 4092 L HA -0.088 4.252 4.340 0.000 0.000 0.207 4092 L C 2.451 179.327 176.870 0.010 0.000 1.078 4092 L CA 1.205 56.052 54.840 0.012 0.000 0.749 4092 L CB -0.636 41.432 42.059 0.015 0.000 0.901 4092 L HN 0.254 nan 8.230 nan 0.000 0.433 4093 A N -0.158 122.667 122.820 0.009 0.000 1.933 4093 A HA -0.264 4.056 4.320 0.000 0.000 0.218 4093 A C 2.258 179.846 177.584 0.006 0.000 1.175 4093 A CA 1.888 53.930 52.037 0.008 0.000 0.628 4093 A CB -0.501 18.502 19.000 0.005 0.000 0.814 4093 A HN 0.495 nan 8.150 nan 0.000 0.444 4094 E N 0.319 120.522 120.200 0.005 0.000 2.031 4094 E HA -0.203 4.147 4.350 0.000 0.000 0.193 4094 E C 1.936 178.541 176.600 0.007 0.000 0.994 4094 E CA 1.757 58.160 56.400 0.005 0.000 0.800 4094 E CB -0.333 29.369 29.700 0.004 0.000 0.752 4094 E HN 0.773 nan 8.360 nan 0.000 0.447 4095 I N -1.663 118.912 120.570 0.009 0.000 2.761 4095 I HA -0.065 4.105 4.170 0.000 0.000 0.261 4095 I C 1.895 178.018 176.117 0.011 0.000 1.198 4095 I CA 0.509 61.815 61.300 0.011 0.000 1.482 4095 I CB -0.058 37.951 38.000 0.014 0.000 1.100 4095 I HN 0.044 nan 8.210 nan 0.000 0.445 4096 I N 0.837 121.413 120.570 0.010 0.000 2.406 4096 I HA -0.101 4.069 4.170 0.000 0.000 0.249 4096 I C 2.373 178.495 176.117 0.008 0.000 1.122 4096 I CA 1.052 62.357 61.300 0.009 0.000 1.431 4096 I CB -0.144 37.861 38.000 0.009 0.000 1.087 4096 I HN 0.042 nan 8.210 nan 0.000 0.424 4097 V N 0.183 120.102 119.914 0.008 0.000 2.453 4097 V HA -0.157 3.963 4.120 0.000 0.000 0.247 4097 V C 2.388 178.487 176.094 0.007 0.000 1.048 4097 V CA 1.359 63.663 62.300 0.007 0.000 1.049 4097 V CB -0.582 31.245 31.823 0.006 0.000 0.672 4097 V HN 0.359 nan 8.190 nan 0.000 0.457 4098 E N 0.527 120.732 120.200 0.008 0.000 2.106 4098 E HA -0.139 4.211 4.350 0.000 0.000 0.192 4098 E C 2.370 178.976 176.600 0.010 0.000 0.984 4098 E CA 1.374 57.779 56.400 0.009 0.000 0.806 4098 E CB -0.409 29.296 29.700 0.010 0.000 0.750 4098 E HN 0.559 nan 8.360 nan 0.000 0.458 4099 A N 1.089 123.915 122.820 0.009 0.000 1.902 4099 A HA -0.146 4.174 4.320 0.000 0.000 0.217 4099 A C 2.614 180.202 177.584 0.006 0.000 1.181 4099 A CA 1.511 53.552 52.037 0.008 0.000 0.623 4099 A CB -0.662 18.342 19.000 0.007 0.000 0.818 4099 A HN 0.131 nan 8.150 nan 0.000 0.443 4100 V N -0.335 119.583 119.914 0.006 0.000 2.307 4100 V HA -0.193 3.927 4.120 0.000 0.000 0.245 4100 V C 2.759 178.858 176.094 0.007 0.000 1.045 4100 V CA 2.284 64.588 62.300 0.006 0.000 1.024 4100 V CB -0.844 30.983 31.823 0.006 0.000 0.651 4100 V HN 0.545 nan 8.190 nan 0.000 0.449 4101 S N 0.182 115.887 115.700 0.008 0.000 2.399 4101 S HA -0.165 4.305 4.470 0.000 0.000 0.231 4101 S C 2.167 176.774 174.600 0.012 0.000 1.022 4101 S CA 1.354 59.560 58.200 0.009 0.000 0.983 4101 S CB -0.441 62.765 63.200 0.009 0.000 0.803 4101 S HN 0.646 nan 8.310 nan 0.000 0.480 4102 A N 1.171 123.999 122.820 0.012 0.000 1.873 4102 A HA -0.044 4.276 4.320 0.000 0.000 0.215 4102 A C 2.377 179.971 177.584 0.017 0.000 1.186 4102 A CA 1.760 53.806 52.037 0.016 0.000 0.616 4102 A CB -0.734 18.275 19.000 0.014 0.000 0.823 4102 A HN 0.562 nan 8.150 nan 0.000 0.442 4103 V N -3.412 116.508 119.914 0.011 0.000 3.174 4103 V HA 0.051 4.171 4.120 0.000 0.000 0.254 4103 V C 2.048 178.147 176.094 0.008 0.000 1.120 4103 V CA 1.218 63.524 62.300 0.009 0.000 1.114 4103 V CB -0.399 31.427 31.823 0.004 0.000 0.756 4103 V HN 0.192 nan 8.190 nan 0.000 0.467 4104 V N 0.734 120.652 119.914 0.007 0.000 2.626 4104 V HA -0.125 3.995 4.120 0.000 0.000 0.252 4104 V C 1.637 177.734 176.094 0.005 0.000 1.067 4104 V CA 2.549 64.852 62.300 0.005 0.000 1.081 4104 V CB -0.520 31.305 31.823 0.005 0.000 0.686 4104 V HN 0.848 nan 8.190 nan 0.000 0.468 4105 D N -0.731 119.673 120.400 0.008 0.000 4.438 4105 D HA -0.222 4.418 4.640 0.000 0.000 0.158 4105 D C 0.613 176.915 176.300 0.003 0.000 0.686 4105 D CA 1.957 55.961 54.000 0.006 0.000 1.183 4105 D CB -1.283 39.517 40.800 0.001 0.000 0.623 4105 D HN 0.586 nan 8.370 nan 0.000 0.521 4106 D N 1.134 121.533 120.400 -0.001 0.000 2.398 4106 D HA 0.316 4.956 4.640 0.000 0.000 0.247 4106 D C -0.310 175.990 176.300 -0.000 0.000 1.227 4106 D CA 0.212 54.211 54.000 -0.002 0.000 0.980 4106 D CB 0.491 41.288 40.800 -0.005 0.000 1.106 4106 D HN 0.119 nan 8.370 nan 0.000 0.493 4107 E N -0.407 119.793 120.200 -0.000 0.000 2.261 4107 E HA 0.618 4.968 4.350 0.000 0.000 0.239 4107 E C -0.235 176.365 176.600 0.000 0.000 0.991 4107 E CA -0.485 55.915 56.400 0.001 0.000 0.847 4107 E CB 0.971 30.672 29.700 0.001 0.000 1.223 4107 E HN 0.509 nan 8.360 nan 0.000 0.446 4108 G N 1.160 109.961 108.800 0.000 0.000 2.340 4108 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 4108 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 4108 G C -1.719 173.181 174.900 0.001 0.000 1.488 4108 G CA -0.906 44.194 45.100 0.001 0.000 0.878 4108 G HN 0.074 nan 8.290 nan 0.000 0.618 4109 K N 0.624 121.024 120.400 0.001 0.000 2.553 4109 K HA 0.572 4.892 4.320 0.000 0.000 0.250 4109 K C -1.327 175.273 176.600 0.001 0.000 0.953 4109 K CA -0.522 55.766 56.287 0.001 0.000 0.800 4109 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 4109 K HN 0.527 nan 8.250 nan 0.000 0.435 4110 V N 3.294 123.208 119.914 0.001 0.000 2.398 4110 V HA 0.303 4.423 4.120 0.000 0.000 0.286 4110 V C -0.417 175.677 176.094 0.001 0.000 1.026 4110 V CA -0.712 61.589 62.300 0.001 0.000 0.868 4110 V CB 1.549 33.373 31.823 0.003 0.000 0.982 4110 V HN 0.652 nan 8.190 nan 0.000 0.443 4111 D N 3.480 123.879 120.400 -0.001 0.000 2.471 4111 D HA 0.317 4.957 4.640 0.000 0.000 0.245 4111 D C 0.740 177.038 176.300 -0.003 0.000 1.116 4111 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 4111 D CB 1.790 42.588 40.800 -0.004 0.000 1.123 4111 D HN 0.417 nan 8.370 nan 0.000 0.540 4112 K N 1.990 122.388 120.400 -0.003 0.000 2.442 4112 K HA -0.139 4.181 4.320 0.000 0.000 0.198 4112 K C 0.915 177.510 176.600 -0.008 0.000 1.044 4112 K CA 0.759 57.043 56.287 -0.005 0.000 0.948 4112 K CB 0.261 32.760 32.500 -0.003 0.000 0.762 4112 K HN 0.362 nan 8.250 nan 0.000 0.472 4113 D N 0.329 120.723 120.400 -0.009 0.000 2.219 4113 D HA -0.113 4.527 4.640 0.000 0.000 0.205 4113 D C 1.075 177.365 176.300 -0.017 0.000 0.970 4113 D CA 0.706 54.698 54.000 -0.014 0.000 0.851 4113 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 4113 D HN -0.027 nan 8.370 nan 0.000 0.488 4114 L N 0.524 121.738 121.223 -0.014 0.000 2.612 4114 L HA 0.246 4.586 4.340 0.000 0.000 0.230 4114 L C 0.056 176.916 176.870 -0.016 0.000 1.140 4114 L CA 0.471 55.301 54.840 -0.016 0.000 0.896 4114 L CB -0.525 41.528 42.059 -0.010 0.000 1.065 4114 L HN 0.160 nan 8.230 nan 0.000 0.447 4115 I N 0.319 120.879 120.570 -0.015 0.000 2.437 4115 I HA 0.197 4.367 4.170 0.000 0.000 0.279 4115 I C 0.320 176.425 176.117 -0.019 0.000 1.028 4115 I CA -0.351 60.940 61.300 -0.014 0.000 1.142 4115 I CB 1.699 39.694 38.000 -0.007 0.000 1.266 4115 I HN -0.038 nan 8.210 nan 0.000 0.461 4116 K N 6.467 126.851 120.400 -0.027 0.000 2.174 4116 K HA 0.478 4.798 4.320 0.000 0.000 0.275 4116 K C -0.709 175.873 176.600 -0.030 0.000 1.015 4116 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 4116 K CB 1.062 33.530 32.500 -0.053 0.000 1.025 4116 K HN 0.438 nan 8.250 nan 0.000 0.463 4117 I N 4.691 125.244 120.570 -0.029 0.000 2.337 4117 I HA 0.238 4.408 4.170 0.000 0.000 0.285 4117 I C -0.153 175.946 176.117 -0.030 0.000 1.041 4117 I CA -0.406 60.881 61.300 -0.023 0.000 1.199 4117 I CB 0.958 38.948 38.000 -0.016 0.000 1.370 4117 I HN 0.611 nan 8.210 nan 0.000 0.470 4118 E N 6.320 126.501 120.200 -0.031 0.000 2.202 4118 E HA 0.517 4.867 4.350 0.000 0.000 0.272 4118 E C -0.363 176.226 176.600 -0.019 0.000 0.951 4118 E CA -0.644 55.734 56.400 -0.037 0.000 0.813 4118 E CB 2.954 32.617 29.700 -0.061 0.000 1.151 4118 E HN 0.507 nan 8.360 nan 0.000 0.398 4119 K N 0.583 120.971 120.400 -0.018 0.000 2.468 4119 K HA 0.674 4.994 4.320 0.000 0.000 0.252 4119 K C -0.959 175.638 176.600 -0.005 0.000 0.932 4119 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 4119 K CB 2.147 34.639 32.500 -0.014 0.000 1.241 4119 K HN 0.132 nan 8.250 nan 0.000 0.428 4120 K N 1.637 122.042 120.400 0.008 0.000 2.619 4120 K HA 0.187 4.507 4.320 0.000 0.000 0.251 4120 K C -1.086 175.526 176.600 0.020 0.000 0.987 4120 K CA -0.322 55.974 56.287 0.014 0.000 0.844 4120 K CB 1.811 34.328 32.500 0.027 0.000 1.237 4120 K HN 0.835 nan 8.250 nan 0.000 0.447 4121 S N 1.863 117.573 115.700 0.016 0.000 2.576 4121 S HA 0.694 5.164 4.470 0.000 0.000 0.272 4121 S C 0.496 175.111 174.600 0.025 0.000 1.352 4121 S CA 0.326 58.539 58.200 0.022 0.000 1.021 4121 S CB 0.698 63.912 63.200 0.024 0.000 0.887 4121 S HN 1.339 nan 8.310 nan 0.000 0.542 4122 G N -0.108 108.707 108.800 0.026 0.000 2.453 4122 G HA2 0.505 4.465 3.960 0.000 0.000 0.665 4122 G HA3 0.505 4.465 3.960 0.000 0.000 0.665 4122 G C -0.132 174.782 174.900 0.023 0.000 1.411 4122 G CA -0.131 44.983 45.100 0.024 0.000 0.889 4122 G HN 2.322 nan 8.290 nan 0.000 0.651 4123 A N -0.406 122.426 122.820 0.020 0.000 6.088 4123 A HA 0.406 4.726 4.320 0.000 0.000 0.261 4123 A C 1.368 178.963 177.584 0.018 0.000 2.138 4123 A CA 2.034 54.082 52.037 0.017 0.000 0.708 4123 A CB -1.814 17.196 19.000 0.018 0.000 1.068 4123 A HN 2.924 nan 8.150 nan 0.000 0.364 4124 S N -1.506 114.205 115.700 0.017 0.000 2.766 4124 S HA 0.781 5.251 4.470 0.000 0.000 0.307 4124 S C 1.072 175.683 174.600 0.019 0.000 1.121 4124 S CA -0.086 58.125 58.200 0.017 0.000 0.980 4124 S CB 1.089 64.297 63.200 0.014 0.000 1.159 4124 S HN 1.124 nan 8.310 nan 0.000 0.546 4125 I N 0.579 121.161 120.570 0.019 0.000 2.493 4125 I HA -0.093 4.077 4.170 0.000 0.000 0.254 4125 I C 2.167 178.294 176.117 0.017 0.000 1.160 4125 I CA 1.436 62.748 61.300 0.019 0.000 1.445 4125 I CB -0.493 37.519 38.000 0.020 0.000 1.086 4125 I HN 0.780 nan 8.210 nan 0.000 0.433 4126 D N 1.371 121.780 120.400 0.014 0.000 2.182 4126 D HA -0.223 4.417 4.640 0.000 0.000 0.201 4126 D C 1.387 177.694 176.300 0.013 0.000 0.986 4126 D CA 1.379 55.386 54.000 0.012 0.000 0.847 4126 D CB -0.025 40.781 40.800 0.009 0.000 0.942 4126 D HN 0.340 nan 8.370 nan 0.000 0.467 4127 D N -0.883 119.526 120.400 0.015 0.000 2.348 4127 D HA -0.019 4.621 4.640 0.000 0.000 0.216 4127 D C 0.246 176.561 176.300 0.024 0.000 0.970 4127 D CA 0.509 54.519 54.000 0.017 0.000 0.889 4127 D CB -0.068 40.742 40.800 0.017 0.000 0.912 4127 D HN 0.094 nan 8.370 nan 0.000 0.524 4128 T N 1.616 116.185 114.554 0.025 0.000 2.933 4128 T HA 0.099 4.449 4.350 0.000 0.000 0.306 4128 T C 0.271 174.989 174.700 0.031 0.000 1.045 4128 T CA 0.281 62.399 62.100 0.030 0.000 1.143 4128 T CB 0.338 69.221 68.868 0.024 0.000 1.003 4128 T HN 0.312 nan 8.240 nan 0.000 0.540 4129 E N 1.758 121.983 120.200 0.042 0.000 2.408 4129 E HA 0.602 4.952 4.350 0.000 0.000 0.275 4129 E C -1.562 175.070 176.600 0.053 0.000 0.935 4129 E CA -1.175 55.251 56.400 0.044 0.000 0.775 4129 E CB 1.257 30.985 29.700 0.047 0.000 1.277 4129 E HN 0.338 nan 8.360 nan 0.000 0.455 4130 L N 1.963 123.212 121.223 0.044 0.000 2.289 4130 L HA 0.478 4.818 4.340 0.000 0.000 0.285 4130 L C -1.430 175.477 176.870 0.061 0.000 1.049 4130 L CA -0.490 54.376 54.840 0.044 0.000 0.804 4130 L CB 1.063 43.139 42.059 0.028 0.000 1.195 4130 L HN 0.601 nan 8.230 nan 0.000 0.428 4131 I N 5.079 125.693 120.570 0.073 0.000 2.354 4131 I HA 0.290 4.460 4.170 0.000 0.000 0.286 4131 I C 0.205 176.358 176.117 0.060 0.000 1.007 4131 I CA -0.294 61.067 61.300 0.101 0.000 1.167 4131 I CB 1.187 39.292 38.000 0.176 0.000 1.320 4131 I HN 0.522 nan 8.210 nan 0.000 0.458 4132 K N 6.047 126.476 120.400 0.050 0.000 2.054 4132 K HA 0.474 4.794 4.320 0.000 0.000 0.242 4132 K C 0.322 176.940 176.600 0.030 0.000 1.157 4132 K CA 0.257 56.562 56.287 0.030 0.000 1.079 4132 K CB -0.405 32.107 32.500 0.020 0.000 1.331 4132 K HN 0.947 nan 8.250 nan 0.000 0.317 4133 G N 0.568 109.381 108.800 0.022 0.000 2.491 4133 G HA2 0.062 4.022 3.960 0.000 0.000 0.183 4133 G HA3 0.062 4.022 3.960 0.000 0.000 0.183 4133 G C -1.647 173.243 174.900 -0.017 0.000 1.221 4133 G CA -0.647 44.459 45.100 0.010 0.000 0.996 4133 G HN 0.171 nan 8.290 nan 0.000 0.474 4134 V N 0.803 120.692 119.914 -0.041 0.000 2.487 4134 V HA 0.704 4.824 4.120 0.000 0.000 0.298 4134 V C -0.832 175.177 176.094 -0.143 0.000 1.028 4134 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 4134 V CB 1.453 33.184 31.823 -0.153 0.000 0.991 4134 V HN 0.945 nan 8.190 nan 0.000 0.427 4135 L N 7.515 128.618 121.223 -0.201 0.000 2.305 4135 L HA 0.838 5.178 4.340 0.000 0.000 0.284 4135 L C -0.366 176.337 176.870 -0.279 0.000 1.013 4135 L CA -0.173 54.448 54.840 -0.364 0.000 0.819 4135 L CB 1.685 43.432 42.059 -0.522 0.000 1.227 4135 L HN 0.582 nan 8.230 nan 0.000 0.417 4136 V N 1.567 121.330 119.914 -0.252 0.000 2.715 4136 V HA 0.632 4.752 4.120 0.000 0.000 0.310 4136 V C -0.353 175.670 176.094 -0.120 0.000 1.054 4136 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 4136 V CB 1.788 33.547 31.823 -0.106 0.000 1.007 4136 V HN 0.823 nan 8.190 nan 0.000 0.437 4137 D N 1.667 122.022 120.400 -0.076 0.000 3.134 4137 D HA 0.253 4.893 4.640 0.000 0.000 0.248 4137 D C 0.050 176.348 176.300 -0.004 0.000 1.273 4137 D CA -0.186 53.787 54.000 -0.045 0.000 0.904 4137 D CB -0.002 40.774 40.800 -0.039 0.000 1.089 4137 D HN 0.504 nan 8.370 nan 0.000 0.478 4138 K N 0.716 121.128 120.400 0.021 0.000 2.306 4138 K HA 0.412 4.732 4.320 0.000 0.000 0.236 4138 K C 0.526 177.158 176.600 0.053 0.000 1.013 4138 K CA -0.650 55.669 56.287 0.054 0.000 0.857 4138 K CB 2.336 34.905 32.500 0.114 0.000 1.214 4138 K HN 0.359 nan 8.250 nan 0.000 0.449 4139 E N 0.928 121.153 120.200 0.042 0.000 2.359 4139 E HA 0.361 4.711 4.350 0.000 0.000 0.266 4139 E C -0.686 175.920 176.600 0.010 0.000 0.920 4139 E CA -0.934 55.484 56.400 0.030 0.000 0.788 4139 E CB 1.282 30.996 29.700 0.023 0.000 1.279 4139 E HN 0.214 nan 8.360 nan 0.000 0.438 4140 R N 1.369 121.870 120.500 0.002 0.000 2.296 4140 R HA 0.097 4.437 4.340 0.000 0.000 0.323 4140 R C 1.379 177.671 176.300 -0.013 0.000 1.067 4140 R CA 0.229 56.317 56.100 -0.020 0.000 0.946 4140 R CB 0.420 30.710 30.300 -0.018 0.000 0.991 4140 R HN 0.568 nan 8.270 nan 0.000 0.448 4141 V N 0.010 119.913 119.914 -0.020 0.000 2.720 4141 V HA -0.090 4.030 4.120 0.000 0.000 0.256 4141 V C 0.923 177.014 176.094 -0.004 0.000 1.082 4141 V CA 1.150 63.444 62.300 -0.009 0.000 1.101 4141 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 4141 V HN 0.521 nan 8.190 nan 0.000 0.479 4142 S N -1.079 114.618 115.700 -0.005 0.000 2.526 4142 S HA 0.777 5.247 4.470 0.000 0.000 0.293 4142 S C 0.897 175.495 174.600 -0.004 0.000 1.092 4142 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 4142 S CB 1.875 65.082 63.200 0.013 0.000 1.048 4142 S HN 0.709 nan 8.310 nan 0.000 0.483 4143 A N 2.947 125.762 122.820 -0.009 0.000 2.019 4143 A HA -0.082 4.238 4.320 0.000 0.000 0.219 4143 A C 1.907 179.490 177.584 -0.001 0.000 1.164 4143 A CA 1.719 53.752 52.037 -0.006 0.000 0.644 4143 A CB -0.651 18.342 19.000 -0.012 0.000 0.805 4143 A HN 0.901 nan 8.150 nan 0.000 0.449 4144 Q N -1.087 118.716 119.800 0.005 0.000 2.389 4144 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 4144 Q C 0.491 176.503 176.000 0.020 0.000 0.944 4144 Q CA -0.096 55.719 55.803 0.020 0.000 0.908 4144 Q CB -0.098 28.668 28.738 0.046 0.000 1.002 4144 Q HN 0.674 nan 8.270 nan 0.000 0.493 4145 M N 2.287 121.893 119.600 0.011 0.000 2.243 4145 M HA 0.186 4.666 4.480 0.000 0.000 0.341 4145 M C -2.026 174.271 176.300 -0.005 0.000 1.130 4145 M CA -1.787 53.512 55.300 -0.001 0.000 1.162 4145 M CB 0.406 32.998 32.600 -0.014 0.000 1.497 4145 M HN -0.044 nan 8.290 nan 0.000 0.456 4146 P HA 0.007 nan 4.420 nan 0.000 0.266 4146 P C -0.515 176.780 177.300 -0.009 0.000 1.193 4146 P CA 0.312 63.406 63.100 -0.010 0.000 0.770 4146 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 4147 K N 0.945 121.345 120.400 -0.001 0.000 2.367 4147 K HA 0.108 4.428 4.320 0.000 0.000 0.194 4147 K C 0.509 177.116 176.600 0.012 0.000 1.027 4147 K CA 0.349 56.640 56.287 0.006 0.000 1.075 4147 K CB 0.349 32.854 32.500 0.009 0.000 0.845 4147 K HN 0.330 nan 8.250 nan 0.000 0.529 4148 K N 0.974 121.378 120.400 0.006 0.000 2.550 4148 K HA 0.257 4.577 4.320 0.000 0.000 0.252 4148 K C -1.835 174.768 176.600 0.004 0.000 0.943 4148 K CA -0.493 55.799 56.287 0.010 0.000 0.806 4148 K CB 2.083 34.586 32.500 0.005 0.000 1.289 4148 K HN -0.239 nan 8.250 nan 0.000 0.435 4149 V N 2.888 122.808 119.914 0.010 0.000 2.531 4149 V HA 0.449 4.569 4.120 0.000 0.000 0.301 4149 V C -0.275 175.826 176.094 0.013 0.000 1.034 4149 V CA -0.716 61.588 62.300 0.006 0.000 0.865 4149 V CB 1.753 33.577 31.823 0.001 0.000 0.995 4149 V HN 0.935 nan 8.190 nan 0.000 0.424 4150 T N -0.087 114.471 114.554 0.007 0.000 2.859 4150 T HA 0.557 4.907 4.350 0.000 0.000 0.281 4150 T C -0.004 174.700 174.700 0.007 0.000 1.005 4150 T CA -0.333 61.771 62.100 0.007 0.000 1.025 4150 T CB 1.301 70.170 68.868 0.002 0.000 0.977 4150 T HN 0.778 nan 8.240 nan 0.000 0.458 4151 D N 0.664 121.069 120.400 0.008 0.000 2.697 4151 D HA -0.147 4.493 4.640 0.000 0.000 0.238 4151 D C 0.333 176.640 176.300 0.012 0.000 1.152 4151 D CA 0.867 54.872 54.000 0.008 0.000 0.666 4151 D CB -1.225 39.577 40.800 0.003 0.000 1.037 4151 D HN 1.118 nan 8.370 nan 0.000 0.423 4152 A N 1.480 124.312 122.820 0.020 0.000 2.462 4152 A HA 0.408 4.728 4.320 0.000 0.000 0.243 4152 A C 0.492 178.093 177.584 0.029 0.000 1.076 4152 A CA 0.128 52.181 52.037 0.026 0.000 0.773 4152 A CB 0.604 19.631 19.000 0.045 0.000 1.010 4152 A HN 0.159 nan 8.150 nan 0.000 0.493 4153 K N 2.637 123.050 120.400 0.023 0.000 2.389 4153 K HA 0.419 4.739 4.320 0.000 0.000 0.261 4153 K C -1.318 175.303 176.600 0.035 0.000 1.014 4153 K CA -0.163 56.139 56.287 0.024 0.000 0.920 4153 K CB 1.067 33.573 32.500 0.010 0.000 1.149 4153 K HN 0.529 nan 8.250 nan 0.000 0.444 4154 I N 2.073 122.681 120.570 0.063 0.000 2.331 4154 I HA 0.281 4.451 4.170 0.000 0.000 0.292 4154 I C 0.279 176.452 176.117 0.093 0.000 0.998 4154 I CA -0.317 61.049 61.300 0.109 0.000 1.267 4154 I CB 1.612 39.718 38.000 0.176 0.000 1.386 4154 I HN 0.502 nan 8.210 nan 0.000 0.476 4155 A N 7.372 130.247 122.820 0.092 0.000 2.330 4155 A HA 0.857 5.177 4.320 0.000 0.000 0.327 4155 A C -0.764 176.892 177.584 0.121 0.000 1.155 4155 A CA -0.561 51.521 52.037 0.075 0.000 0.803 4155 A CB 0.732 19.752 19.000 0.033 0.000 1.208 4155 A HN 0.674 nan 8.150 nan 0.000 0.477 4156 L N 3.186 124.466 121.223 0.094 0.000 2.324 4156 L HA 0.371 4.712 4.340 0.000 0.000 0.274 4156 L C -1.255 175.653 176.870 0.064 0.000 1.012 4156 L CA -0.551 54.348 54.840 0.098 0.000 0.859 4156 L CB 1.036 43.134 42.059 0.065 0.000 1.224 4156 L HN 0.499 nan 8.230 nan 0.000 0.429 4157 L N 2.769 124.033 121.223 0.068 0.000 2.309 4157 L HA 0.357 4.697 4.340 0.000 0.000 0.282 4157 L C 0.739 177.634 176.870 0.043 0.000 1.036 4157 L CA 0.210 55.077 54.840 0.045 0.000 0.806 4157 L CB 1.493 43.574 42.059 0.036 0.000 1.220 4157 L HN 0.421 nan 8.230 nan 0.000 0.429 4158 N N 0.453 119.172 118.700 0.030 0.000 2.407 4158 N HA 0.008 4.748 4.740 0.000 0.000 0.182 4158 N C 0.124 175.647 175.510 0.022 0.000 1.079 4158 N CA 0.011 53.077 53.050 0.025 0.000 0.882 4158 N CB 0.377 38.875 38.487 0.019 0.000 1.106 4158 N HN 0.586 nan 8.380 nan 0.000 0.461 4159 C N 1.911 121.223 119.300 0.020 0.000 2.585 4159 C HA 0.746 5.206 4.460 0.000 0.000 0.406 4159 C C 0.843 175.844 174.990 0.019 0.000 1.312 4159 C CA -0.958 58.070 59.018 0.018 0.000 1.924 4159 C CB -1.438 26.312 27.740 0.016 0.000 2.578 4159 C HN 0.507 nan 8.230 nan 0.000 0.580 4160 A N 6.290 129.121 122.820 0.018 0.000 2.540 4160 A HA 0.306 4.626 4.320 0.000 0.000 0.239 4160 A C 0.327 177.923 177.584 0.019 0.000 1.061 4160 A CA 0.120 52.168 52.037 0.019 0.000 0.758 4160 A CB -0.046 18.964 19.000 0.017 0.000 0.991 4160 A HN 0.898 nan 8.150 nan 0.000 0.502 4161 I N 2.587 123.169 120.570 0.020 0.000 2.204 4161 I HA 0.135 4.305 4.170 0.000 0.000 0.291 4161 I C -0.058 176.074 176.117 0.025 0.000 1.153 4161 I CA 0.615 61.928 61.300 0.022 0.000 1.546 4161 I CB -0.558 37.455 38.000 0.021 0.000 1.490 4161 I HN 0.627 nan 8.210 nan 0.000 0.697 4162 E N 4.659 124.872 120.200 0.022 0.000 2.302 4162 E HA 0.397 4.747 4.350 0.000 0.000 0.263 4162 E C -0.989 175.623 176.600 0.019 0.000 0.897 4162 E CA -0.599 55.814 56.400 0.021 0.000 0.809 4162 E CB 2.043 31.754 29.700 0.018 0.000 1.270 4162 E HN 0.235 nan 8.360 nan 0.000 0.410 4163 E N 1.903 122.115 120.200 0.020 0.000 2.275 4163 E HA 0.235 4.585 4.350 0.000 0.000 0.270 4163 E C -0.740 175.869 176.600 0.014 0.000 0.882 4163 E CA -0.612 55.798 56.400 0.017 0.000 0.758 4163 E CB 2.269 31.981 29.700 0.019 0.000 1.195 4163 E HN 0.286 nan 8.360 nan 0.000 0.419 4164 T N 1.492 116.053 114.554 0.010 0.000 2.946 4164 T HA 0.358 4.708 4.350 0.000 0.000 0.311 4164 T C 0.180 174.883 174.700 0.005 0.000 1.063 4164 T CA 0.840 62.944 62.100 0.007 0.000 1.139 4164 T CB 0.286 69.157 68.868 0.006 0.000 0.994 4164 T HN 0.732 nan 8.240 nan 0.000 0.547 4165 A N 2.901 125.722 122.820 0.002 0.000 2.435 4165 A HA -0.084 4.236 4.320 0.000 0.000 0.686 4165 A C 1.364 178.944 177.584 -0.006 0.000 0.138 4165 A CA 0.080 52.115 52.037 -0.003 0.000 0.024 4165 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 4165 A HN 0.800 nan 8.150 nan 0.000 0.548 4166 S N 0.522 116.211 115.700 -0.018 0.000 2.406 4166 S HA -0.078 4.392 4.470 0.000 0.000 0.228 4166 S C 1.689 176.262 174.600 -0.045 0.000 1.020 4166 S CA 1.333 59.512 58.200 -0.035 0.000 0.965 4166 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 4166 S HN 0.736 nan 8.310 nan 0.000 0.488 4167 E N 1.138 121.317 120.200 -0.036 0.000 2.072 4167 E HA -0.010 4.340 4.350 0.000 0.000 0.191 4167 E C 1.962 178.559 176.600 -0.006 0.000 0.985 4167 E CA 0.859 57.240 56.400 -0.030 0.000 0.801 4167 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 4167 E HN 0.409 nan 8.360 nan 0.000 0.452 4168 M N 0.015 119.615 119.600 0.000 0.000 2.200 4168 M HA -0.065 4.415 4.480 0.000 0.000 0.265 4168 M C 2.316 178.630 176.300 0.024 0.000 1.066 4168 M CA 0.731 56.038 55.300 0.012 0.000 1.127 4168 M CB -0.810 31.795 32.600 0.009 0.000 1.379 4168 M HN 0.090 nan 8.290 nan 0.000 0.420 4169 L N 0.668 121.905 121.223 0.024 0.000 2.072 4169 L HA -0.069 4.271 4.340 0.000 0.000 0.205 4169 L C 2.120 179.037 176.870 0.079 0.000 1.079 4169 L CA 1.841 56.706 54.840 0.041 0.000 0.752 4169 L CB -0.570 41.509 42.059 0.034 0.000 0.906 4169 L HN 0.162 nan 8.230 nan 0.000 0.436 4170 K N -0.673 119.773 120.400 0.077 0.000 2.283 4170 K HA -0.170 4.150 4.320 0.000 0.000 0.202 4170 K C 1.691 178.419 176.600 0.212 0.000 1.048 4170 K CA 1.084 57.482 56.287 0.185 0.000 0.948 4170 K CB -0.156 32.303 32.500 -0.067 0.000 0.742 4170 K HN 0.315 nan 8.250 nan 0.000 0.458 4171 D N 0.839 121.301 120.400 0.103 0.000 2.117 4171 D HA -0.131 4.509 4.640 0.000 0.000 0.197 4171 D C 1.796 178.134 176.300 0.064 0.000 0.987 4171 D CA 1.102 55.148 54.000 0.077 0.000 0.829 4171 D CB 0.174 40.999 40.800 0.043 0.000 0.961 4171 D HN -0.011 nan 8.370 nan 0.000 0.460 4172 M N -0.043 119.591 119.600 0.058 0.000 2.117 4172 M HA -0.096 4.384 4.480 0.000 0.000 0.262 4172 M C 2.332 178.647 176.300 0.024 0.000 1.065 4172 M CA 0.640 55.962 55.300 0.037 0.000 1.114 4172 M CB -0.878 31.743 32.600 0.035 0.000 1.361 4172 M HN -0.017 nan 8.290 nan 0.000 0.408 4173 V N 0.480 120.422 119.914 0.045 0.000 2.358 4173 V HA -0.193 3.927 4.120 0.000 0.000 0.246 4173 V C 2.718 178.751 176.094 -0.100 0.000 1.047 4173 V CA 1.725 64.009 62.300 -0.027 0.000 1.035 4173 V CB -1.332 30.495 31.823 0.006 0.000 0.658 4173 V HN 0.474 nan 8.190 nan 0.000 0.452 4174 A N -0.464 122.347 122.820 -0.015 0.000 1.930 4174 A HA -0.223 4.097 4.320 0.000 0.000 0.217 4174 A C 2.178 179.747 177.584 -0.025 0.000 1.175 4174 A CA 1.755 53.780 52.037 -0.021 0.000 0.627 4174 A CB -0.420 18.631 19.000 0.085 0.000 0.815 4174 A HN 0.614 nan 8.150 nan 0.000 0.443 4175 E N -0.387 119.809 120.200 -0.006 0.000 2.106 4175 E HA -0.116 4.234 4.350 0.000 0.000 0.192 4175 E C 1.838 178.427 176.600 -0.019 0.000 0.984 4175 E CA 0.991 57.387 56.400 -0.006 0.000 0.806 4175 E CB -0.250 29.452 29.700 0.005 0.000 0.750 4175 E HN 0.709 nan 8.360 nan 0.000 0.458 4176 I N 1.117 121.668 120.570 -0.032 0.000 2.179 4176 I HA -0.282 3.888 4.170 0.000 0.000 0.242 4176 I C 2.485 178.572 176.117 -0.050 0.000 1.088 4176 I CA 1.060 62.337 61.300 -0.039 0.000 1.357 4176 I CB -0.151 37.818 38.000 -0.050 0.000 1.051 4176 I HN -0.021 nan 8.210 nan 0.000 0.409 4177 K N 1.628 121.982 120.400 -0.076 0.000 2.057 4177 K HA -0.124 4.196 4.320 0.000 0.000 0.207 4177 K C 2.038 178.609 176.600 -0.047 0.000 1.049 4177 K CA 1.727 57.967 56.287 -0.079 0.000 0.931 4177 K CB -0.406 32.022 32.500 -0.121 0.000 0.714 4177 K HN 0.277 nan 8.250 nan 0.000 0.440 4178 A N -0.102 122.696 122.820 -0.036 0.000 1.933 4178 A HA -0.121 4.199 4.320 0.000 0.000 0.218 4178 A C 2.177 179.752 177.584 -0.014 0.000 1.175 4178 A CA 2.087 54.112 52.037 -0.019 0.000 0.628 4178 A CB -0.754 18.239 19.000 -0.010 0.000 0.814 4178 A HN 0.365 nan 8.150 nan 0.000 0.444 4179 S N -1.740 113.951 115.700 -0.014 0.000 2.474 4179 S HA 0.248 4.718 4.470 0.000 0.000 0.235 4179 S C 1.508 176.104 174.600 -0.008 0.000 0.997 4179 S CA 1.158 59.353 58.200 -0.008 0.000 0.949 4179 S CB -0.140 63.057 63.200 -0.005 0.000 0.766 4179 S HN 1.678 nan 8.310 nan 0.000 0.517 4180 G N 0.687 109.478 108.800 -0.015 0.000 2.159 4180 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 4180 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 4180 G C 0.108 174.998 174.900 -0.017 0.000 0.986 4180 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 4180 G HN 0.827 nan 8.290 nan 0.000 0.523 4181 A N 0.038 122.846 122.820 -0.021 0.000 2.477 4181 A HA 0.637 4.957 4.320 0.000 0.000 0.246 4181 A C 1.106 178.668 177.584 -0.037 0.000 1.078 4181 A CA 0.720 52.745 52.037 -0.021 0.000 0.770 4181 A CB 0.217 19.205 19.000 -0.020 0.000 1.011 4181 A HN 0.333 nan 8.150 nan 0.000 0.494 4182 N N 0.609 119.290 118.700 -0.032 0.000 2.257 4182 N HA 0.125 4.865 4.740 0.000 0.000 0.200 4182 N C -0.679 174.794 175.510 -0.063 0.000 1.163 4182 N CA 0.449 53.472 53.050 -0.044 0.000 0.891 4182 N CB 1.047 39.516 38.487 -0.029 0.000 1.067 4182 N HN 0.383 nan 8.380 nan 0.000 0.497 4183 V N 2.512 122.389 119.914 -0.062 0.000 2.540 4183 V HA 0.458 4.578 4.120 0.000 0.000 0.302 4183 V C -0.696 175.312 176.094 -0.145 0.000 1.035 4183 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 4183 V CB 2.992 34.780 31.823 -0.058 0.000 0.992 4183 V HN 0.023 nan 8.190 nan 0.000 0.428 4184 L N 5.634 126.685 121.223 -0.287 0.000 2.446 4184 L HA 0.604 4.944 4.340 0.000 0.000 0.268 4184 L C -1.829 174.831 176.870 -0.351 0.000 0.975 4184 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 4184 L CB 1.468 43.453 42.059 -0.123 0.000 1.225 4184 L HN 0.581 nan 8.230 nan 0.000 0.410 4185 F N 4.419 124.366 119.950 -0.004 0.000 2.388 4185 F HA 0.335 4.862 4.527 -0.000 0.000 0.358 4185 F C 0.527 176.325 175.800 -0.004 0.000 1.122 4185 F CA -0.407 57.591 58.000 -0.005 0.000 1.056 4185 F CB 1.347 40.343 39.000 -0.007 0.000 1.155 4185 F HN 0.445 nan 8.300 nan 0.000 0.461 4186 C N 5.263 124.645 119.300 0.137 0.000 2.303 4186 C HA 0.217 4.677 4.460 0.000 0.000 0.326 4186 C C 1.630 176.671 174.990 0.085 0.000 1.285 4186 C CA -0.463 58.605 59.018 0.084 0.000 1.675 4186 C CB 0.642 28.407 27.740 0.042 0.000 2.289 4186 C HN 0.952 nan 8.230 nan 0.000 0.512 4187 Q N 3.204 123.043 119.800 0.066 0.000 2.124 4187 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 4187 Q C 1.089 177.110 176.000 0.035 0.000 0.977 4187 Q CA 1.592 57.422 55.803 0.046 0.000 0.850 4187 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 4187 Q HN 0.704 nan 8.270 nan 0.000 0.429 4188 K N -0.710 119.709 120.400 0.031 0.000 2.842 4188 K HA 0.349 4.669 4.320 0.000 0.000 0.310 4188 K C 0.497 177.112 176.600 0.026 0.000 0.992 4188 K CA 0.060 56.362 56.287 0.024 0.000 1.207 4188 K CB -0.739 31.773 32.500 0.020 0.000 1.478 4188 K HN 0.131 nan 8.250 nan 0.000 0.601 4189 G N 0.260 109.072 108.800 0.021 0.000 2.562 4189 G HA2 0.534 4.494 3.960 0.000 0.000 0.275 4189 G HA3 0.534 4.494 3.960 0.000 0.000 0.275 4189 G C -0.472 174.440 174.900 0.019 0.000 1.196 4189 G CA -0.558 44.554 45.100 0.019 0.000 0.908 4189 G HN 0.313 nan 8.290 nan 0.000 0.524 4190 I N 0.674 121.255 120.570 0.018 0.000 2.478 4190 I HA 0.166 4.336 4.170 0.000 0.000 0.287 4190 I C -0.530 175.601 176.117 0.022 0.000 1.042 4190 I CA -0.766 60.545 61.300 0.019 0.000 1.067 4190 I CB 2.038 40.046 38.000 0.012 0.000 1.233 4190 I HN 0.415 nan 8.210 nan 0.000 0.431 4191 D N 4.928 125.344 120.400 0.027 0.000 2.414 4191 D HA -0.049 4.591 4.640 0.000 0.000 0.242 4191 D C 0.611 176.935 176.300 0.040 0.000 1.129 4191 D CA 0.174 54.193 54.000 0.031 0.000 0.885 4191 D CB 1.341 42.161 40.800 0.033 0.000 1.198 4191 D HN 0.484 nan 8.370 nan 0.000 0.437 4192 D N 2.786 123.207 120.400 0.036 0.000 2.158 4192 D HA -0.185 4.455 4.640 0.000 0.000 0.197 4192 D C 1.770 178.118 176.300 0.079 0.000 0.995 4192 D CA 0.609 54.634 54.000 0.042 0.000 0.846 4192 D CB -0.032 40.783 40.800 0.024 0.000 0.941 4192 D HN 0.454 nan 8.370 nan 0.000 0.456 4193 L N 0.188 121.460 121.223 0.081 0.000 2.056 4193 L HA -0.139 4.201 4.340 0.000 0.000 0.207 4193 L C 2.183 179.135 176.870 0.136 0.000 1.078 4193 L CA 1.415 56.323 54.840 0.112 0.000 0.749 4193 L CB -0.165 41.935 42.059 0.067 0.000 0.901 4193 L HN -0.021 nan 8.230 nan 0.000 0.433 4194 A N -0.637 122.246 122.820 0.105 0.000 1.933 4194 A HA -0.250 4.070 4.320 0.000 0.000 0.218 4194 A C 2.085 179.733 177.584 0.107 0.000 1.175 4194 A CA 1.644 53.748 52.037 0.111 0.000 0.628 4194 A CB -0.485 18.556 19.000 0.069 0.000 0.814 4194 A HN 0.638 nan 8.150 nan 0.000 0.444 4195 Q N -1.416 118.440 119.800 0.093 0.000 2.084 4195 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 4195 Q C 2.050 178.135 176.000 0.142 0.000 0.978 4195 Q CA 1.629 57.479 55.803 0.079 0.000 0.844 4195 Q CB -0.389 28.382 28.738 0.054 0.000 0.898 4195 Q HN 0.944 nan 8.270 nan 0.000 0.426 4196 H N -0.856 118.247 119.070 0.056 0.000 2.293 4196 H HA -0.197 4.359 4.556 0.000 0.000 0.300 4196 H C 1.942 177.351 175.328 0.134 0.000 1.082 4196 H CA 1.177 57.267 56.048 0.070 0.000 1.308 4196 H CB 0.112 29.909 29.762 0.057 0.000 1.375 4196 H HN 0.238 nan 8.280 nan 0.000 0.495 4197 Y N 1.304 121.599 120.300 -0.007 0.000 2.293 4197 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 4197 Y C 2.336 178.214 175.900 -0.036 0.000 1.137 4197 Y CA 0.923 58.967 58.100 -0.094 0.000 1.202 4197 Y CB -0.558 37.853 38.460 -0.082 0.000 0.990 4197 Y HN 0.206 nan 8.280 nan 0.000 0.537 4198 L N -0.576 120.643 121.223 -0.007 0.000 2.042 4198 L HA -0.256 4.084 4.340 0.000 0.000 0.210 4198 L C 2.713 179.543 176.870 -0.066 0.000 1.076 4198 L CA 1.341 56.121 54.840 -0.100 0.000 0.749 4198 L CB -0.882 41.149 42.059 -0.047 0.000 0.893 4198 L HN 0.235 nan 8.230 nan 0.000 0.432 4199 A N -0.163 122.668 122.820 0.018 0.000 1.933 4199 A HA -0.212 4.109 4.320 0.000 0.000 0.218 4199 A C 2.290 179.893 177.584 0.031 0.000 1.175 4199 A CA 1.579 53.638 52.037 0.036 0.000 0.628 4199 A CB -0.317 18.740 19.000 0.094 0.000 0.814 4199 A HN 0.330 nan 8.150 nan 0.000 0.444 4200 K N -0.403 120.026 120.400 0.048 0.000 2.211 4200 K HA -0.067 4.253 4.320 0.000 0.000 0.203 4200 K C 1.134 177.720 176.600 -0.024 0.000 1.050 4200 K CA 1.109 57.424 56.287 0.046 0.000 0.945 4200 K CB 0.025 32.605 32.500 0.134 0.000 0.732 4200 K HN 0.390 nan 8.250 nan 0.000 0.451 4201 E N -0.399 119.728 120.200 -0.122 0.000 2.479 4201 E HA 0.027 4.377 4.350 0.000 0.000 0.193 4201 E C 0.807 177.349 176.600 -0.097 0.000 1.049 4201 E CA 0.378 56.684 56.400 -0.158 0.000 0.870 4201 E CB 0.746 30.263 29.700 -0.305 0.000 0.944 4201 E HN 0.447 nan 8.360 nan 0.000 0.492 4202 G N 2.043 110.803 108.800 -0.066 0.000 2.160 4202 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 4202 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 4202 G C 0.235 175.100 174.900 -0.058 0.000 1.008 4202 G CA 0.178 45.251 45.100 -0.046 0.000 0.724 4202 G HN 0.265 nan 8.290 nan 0.000 0.514 4203 I N 0.937 121.460 120.570 -0.078 0.000 2.331 4203 I HA 0.438 4.608 4.170 0.000 0.000 0.292 4203 I C 0.984 177.051 176.117 -0.083 0.000 0.998 4203 I CA -1.155 60.093 61.300 -0.087 0.000 1.267 4203 I CB 1.633 39.569 38.000 -0.108 0.000 1.386 4203 I HN 0.144 nan 8.210 nan 0.000 0.476 4204 V N 3.749 123.605 119.914 -0.096 0.000 2.509 4204 V HA 0.914 5.034 4.120 0.000 0.000 0.284 4204 V C 0.049 176.035 176.094 -0.181 0.000 1.047 4204 V CA -0.259 61.971 62.300 -0.115 0.000 0.952 4204 V CB 1.160 32.918 31.823 -0.108 0.000 0.988 4204 V HN 0.828 nan 8.190 nan 0.000 0.469 4205 A N 3.606 126.324 122.820 -0.169 0.000 2.515 4205 A HA 1.007 5.327 4.320 0.000 0.000 0.298 4205 A C -0.350 177.130 177.584 -0.172 0.000 1.059 4205 A CA -0.298 51.620 52.037 -0.198 0.000 0.698 4205 A CB 1.858 20.790 19.000 -0.113 0.000 1.289 4205 A HN 2.349 nan 8.150 nan 0.000 0.404 4206 A N 1.758 124.461 122.820 -0.195 0.000 2.374 4206 A HA 0.772 5.092 4.320 0.000 0.000 0.305 4206 A C -0.081 177.505 177.584 0.003 0.000 1.053 4206 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 4206 A CB 0.931 19.915 19.000 -0.028 0.000 1.229 4206 A HN 1.237 nan 8.150 nan 0.000 0.431 4207 R N 1.662 122.174 120.500 0.020 0.000 2.607 4207 R HA 0.734 5.074 4.340 0.000 0.000 0.261 4207 R C -0.400 175.927 176.300 0.046 0.000 1.051 4207 R CA -0.787 55.333 56.100 0.033 0.000 1.110 4207 R CB 0.446 30.758 30.300 0.020 0.000 1.158 4207 R HN 0.523 nan 8.270 nan 0.000 0.543 4208 R N -0.891 119.633 120.500 0.040 0.000 3.525 4208 R HA -0.109 4.231 4.340 0.000 0.000 0.276 4208 R C -0.745 175.580 176.300 0.041 0.000 1.116 4208 R CA 0.537 56.657 56.100 0.033 0.000 0.745 4208 R CB -2.606 27.708 30.300 0.024 0.000 1.185 4208 R HN 0.534 nan 8.270 nan 0.000 0.454 4209 V N 1.491 121.442 119.914 0.062 0.000 2.572 4209 V HA 0.049 4.169 4.120 0.000 0.000 0.291 4209 V C 1.475 177.582 176.094 0.023 0.000 1.039 4209 V CA -0.172 62.167 62.300 0.065 0.000 1.055 4209 V CB 1.234 33.131 31.823 0.123 0.000 0.969 4209 V HN 0.147 nan 8.190 nan 0.000 0.482 4210 K N 3.487 123.887 120.400 -0.001 0.000 2.484 4210 K HA -0.045 4.275 4.320 0.000 0.000 0.280 4210 K C 1.204 177.792 176.600 -0.021 0.000 1.013 4210 K CA -0.137 56.142 56.287 -0.014 0.000 1.029 4210 K CB 0.423 32.907 32.500 -0.027 0.000 0.902 4210 K HN 0.607 nan 8.250 nan 0.000 0.481 4211 K N 2.347 122.739 120.400 -0.014 0.000 2.103 4211 K HA -0.168 4.152 4.320 0.000 0.000 0.207 4211 K C 1.889 178.474 176.600 -0.026 0.000 1.048 4211 K CA 2.049 58.327 56.287 -0.014 0.000 0.930 4211 K CB -0.408 32.087 32.500 -0.008 0.000 0.716 4211 K HN 0.577 nan 8.250 nan 0.000 0.444 4212 S N 0.245 115.927 115.700 -0.030 0.000 2.368 4212 S HA -0.144 4.326 4.470 0.000 0.000 0.225 4212 S C 1.338 175.904 174.600 -0.058 0.000 1.030 4212 S CA 1.654 59.831 58.200 -0.038 0.000 0.999 4212 S CB -0.465 62.714 63.200 -0.035 0.000 0.844 4212 S HN 0.394 nan 8.310 nan 0.000 0.459 4213 D N 0.846 121.203 120.400 -0.072 0.000 2.218 4213 D HA -0.036 4.604 4.640 0.000 0.000 0.204 4213 D C 1.946 178.157 176.300 -0.148 0.000 0.976 4213 D CA 0.794 54.725 54.000 -0.116 0.000 0.853 4213 D CB -0.205 40.519 40.800 -0.125 0.000 0.939 4213 D HN 0.390 nan 8.370 nan 0.000 0.481 4214 M N 0.344 119.883 119.600 -0.101 0.000 2.117 4214 M HA -0.105 4.375 4.480 0.000 0.000 0.262 4214 M C 2.023 178.278 176.300 -0.075 0.000 1.065 4214 M CA 1.012 56.260 55.300 -0.087 0.000 1.114 4214 M CB -0.775 31.806 32.600 -0.032 0.000 1.361 4214 M HN 0.047 nan 8.290 nan 0.000 0.408 4215 E N 0.995 121.160 120.200 -0.059 0.000 2.150 4215 E HA -0.154 4.196 4.350 0.000 0.000 0.193 4215 E C 1.775 178.341 176.600 -0.057 0.000 0.985 4215 E CA 1.040 57.413 56.400 -0.046 0.000 0.814 4215 E CB 0.085 29.764 29.700 -0.034 0.000 0.752 4215 E HN 0.488 nan 8.360 nan 0.000 0.466 4216 K N 0.203 120.557 120.400 -0.077 0.000 2.057 4216 K HA -0.070 4.250 4.320 0.000 0.000 0.206 4216 K C 2.422 178.964 176.600 -0.098 0.000 1.050 4216 K CA 0.999 57.236 56.287 -0.083 0.000 0.935 4216 K CB -0.103 32.338 32.500 -0.099 0.000 0.715 4216 K HN 0.157 nan 8.250 nan 0.000 0.439 4217 L N 0.524 121.661 121.223 -0.144 0.000 2.093 4217 L HA -0.153 4.187 4.340 0.000 0.000 0.208 4217 L C 2.580 179.403 176.870 -0.079 0.000 1.085 4217 L CA 0.937 55.681 54.840 -0.161 0.000 0.755 4217 L CB -0.524 41.359 42.059 -0.292 0.000 0.904 4217 L HN 0.199 nan 8.230 nan 0.000 0.435 4218 A N -0.222 122.563 122.820 -0.057 0.000 1.898 4218 A HA -0.167 4.153 4.320 0.000 0.000 0.216 4218 A C 2.351 179.926 177.584 -0.015 0.000 1.181 4218 A CA 1.350 53.372 52.037 -0.024 0.000 0.620 4218 A CB -0.245 18.743 19.000 -0.019 0.000 0.819 4218 A HN 0.172 nan 8.150 nan 0.000 0.442 4219 K N -0.139 120.248 120.400 -0.022 0.000 2.057 4219 K HA -0.012 4.308 4.320 0.000 0.000 0.206 4219 K C 2.317 178.915 176.600 -0.003 0.000 1.050 4219 K CA 1.289 57.570 56.287 -0.011 0.000 0.935 4219 K CB -0.681 31.809 32.500 -0.016 0.000 0.715 4219 K HN 0.442 nan 8.250 nan 0.000 0.439 4220 A N 1.240 124.050 122.820 -0.016 0.000 1.832 4220 A HA -0.139 4.181 4.320 0.000 0.000 0.214 4220 A C 2.337 179.924 177.584 0.005 0.000 1.200 4220 A CA 2.617 54.649 52.037 -0.009 0.000 0.610 4220 A CB -1.074 17.908 19.000 -0.030 0.000 0.842 4220 A HN 0.475 nan 8.150 nan 0.000 0.444 4221 T N -4.202 110.352 114.554 -0.000 0.000 3.043 4221 T HA 0.364 4.714 4.350 0.000 0.000 0.263 4221 T C 1.419 176.134 174.700 0.025 0.000 1.094 4221 T CA 1.222 63.331 62.100 0.015 0.000 1.127 4221 T CB -0.130 68.752 68.868 0.023 0.000 0.905 4221 T HN 1.862 nan 8.240 nan 0.000 0.490 4222 G N 1.390 110.202 108.800 0.021 0.000 2.147 4222 G HA2 -0.003 3.957 3.960 0.000 0.000 0.244 4222 G HA3 -0.003 3.957 3.960 0.000 0.000 0.244 4222 G C 0.215 175.128 174.900 0.022 0.000 1.005 4222 G CA -0.036 45.078 45.100 0.024 0.000 0.713 4222 G HN 1.171 nan 8.290 nan 0.000 0.515 4223 A N -0.414 122.418 122.820 0.020 0.000 2.371 4223 A HA 0.643 4.963 4.320 0.000 0.000 0.257 4223 A C 0.384 177.979 177.584 0.019 0.000 1.089 4223 A CA 0.278 52.331 52.037 0.026 0.000 0.794 4223 A CB 0.522 19.545 19.000 0.038 0.000 1.029 4223 A HN 0.755 nan 8.150 nan 0.000 0.488 4224 N N 1.274 119.987 118.700 0.022 0.000 2.424 4224 N HA 0.369 5.109 4.740 0.000 0.000 0.271 4224 N C -0.917 174.605 175.510 0.020 0.000 0.985 4224 N CA -0.344 52.715 53.050 0.016 0.000 0.921 4224 N CB 1.274 39.770 38.487 0.015 0.000 1.149 4224 N HN 0.280 nan 8.380 nan 0.000 0.492 4225 V N 4.929 124.851 119.914 0.014 0.000 2.446 4225 V HA 0.148 4.268 4.120 0.000 0.000 0.276 4225 V C 0.480 176.584 176.094 0.016 0.000 1.030 4225 V CA -0.168 62.142 62.300 0.016 0.000 1.033 4225 V CB -0.836 30.992 31.823 0.009 0.000 0.993 4225 V HN 0.579 nan 8.190 nan 0.000 0.477 4226 I N 2.370 122.952 120.570 0.020 0.000 2.603 4226 I HA 0.633 4.803 4.170 0.000 0.000 0.300 4226 I C 0.662 176.789 176.117 0.016 0.000 1.017 4226 I CA 0.107 61.417 61.300 0.016 0.000 1.098 4226 I CB 1.964 39.974 38.000 0.017 0.000 1.279 4226 I HN 0.341 nan 8.210 nan 0.000 0.437 4227 T N 1.388 115.950 114.554 0.013 0.000 2.815 4227 T HA 0.091 4.441 4.350 0.000 0.000 0.244 4227 T C 0.727 175.435 174.700 0.013 0.000 1.040 4227 T CA 0.872 62.980 62.100 0.013 0.000 1.176 4227 T CB -0.259 68.615 68.868 0.010 0.000 0.880 4227 T HN 0.677 nan 8.240 nan 0.000 0.414 4228 N N 1.124 119.831 118.700 0.012 0.000 2.472 4228 N HA 0.240 4.980 4.740 0.000 0.000 0.277 4228 N C 0.873 176.390 175.510 0.012 0.000 1.081 4228 N CA -0.129 52.928 53.050 0.011 0.000 0.973 4228 N CB 0.674 39.167 38.487 0.010 0.000 1.105 4228 N HN 0.175 nan 8.380 nan 0.000 0.470 4229 I N 2.349 122.927 120.570 0.012 0.000 2.361 4229 I HA -0.248 3.922 4.170 0.000 0.000 0.251 4229 I C 2.019 178.142 176.117 0.010 0.000 1.133 4229 I CA 0.856 62.163 61.300 0.012 0.000 1.413 4229 I CB -0.041 37.967 38.000 0.013 0.000 1.073 4229 I HN 0.510 nan 8.210 nan 0.000 0.424 4230 K N 1.389 121.795 120.400 0.010 0.000 2.103 4230 K HA -0.222 4.098 4.320 0.000 0.000 0.207 4230 K C 1.332 177.937 176.600 0.008 0.000 1.048 4230 K CA 1.780 58.073 56.287 0.009 0.000 0.930 4230 K CB -0.231 32.275 32.500 0.009 0.000 0.716 4230 K HN 0.252 nan 8.250 nan 0.000 0.444 4231 D N -0.510 119.896 120.400 0.009 0.000 2.277 4231 D HA -0.029 4.611 4.640 0.000 0.000 0.208 4231 D C -0.171 176.135 176.300 0.009 0.000 0.962 4231 D CA 0.173 54.178 54.000 0.008 0.000 0.865 4231 D CB -0.012 40.793 40.800 0.009 0.000 0.939 4231 D HN 0.089 nan 8.370 nan 0.000 0.510 4232 L N 1.172 122.400 121.223 0.009 0.000 2.601 4232 L HA 0.103 4.443 4.340 0.000 0.000 0.277 4232 L C 0.159 177.034 176.870 0.007 0.000 1.219 4232 L CA 0.310 55.156 54.840 0.009 0.000 0.915 4232 L CB 0.045 42.110 42.059 0.009 0.000 1.160 4232 L HN -0.008 nan 8.230 nan 0.000 0.494 4233 S N 3.293 118.998 115.700 0.008 0.000 2.661 4233 S HA 0.788 5.258 4.470 0.000 0.000 0.285 4233 S C 0.775 175.379 174.600 0.007 0.000 1.138 4233 S CA -0.393 57.811 58.200 0.006 0.000 0.855 4233 S CB 1.269 64.473 63.200 0.006 0.000 1.136 4233 S HN 0.841 nan 8.310 nan 0.000 0.484 4234 A N 0.560 123.383 122.820 0.005 0.000 1.978 4234 A HA -0.083 4.237 4.320 0.000 0.000 0.220 4234 A C 1.992 179.582 177.584 0.009 0.000 1.170 4234 A CA 1.352 53.393 52.037 0.006 0.000 0.636 4234 A CB -0.869 18.133 19.000 0.004 0.000 0.810 4234 A HN 0.735 nan 8.150 nan 0.000 0.448 4235 Q N 0.057 119.863 119.800 0.009 0.000 2.437 4235 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 4235 Q C 0.574 176.582 176.000 0.013 0.000 0.972 4235 Q CA 1.064 56.874 55.803 0.011 0.000 0.903 4235 Q CB -0.215 28.528 28.738 0.009 0.000 0.967 4235 Q HN 0.671 nan 8.270 nan 0.000 0.486 4236 D N -0.408 120.000 120.400 0.014 0.000 2.354 4236 D HA 0.021 4.661 4.640 0.000 0.000 0.209 4236 D C 0.070 176.383 176.300 0.022 0.000 1.015 4236 D CA 0.013 54.023 54.000 0.017 0.000 0.867 4236 D CB 0.464 41.274 40.800 0.016 0.000 0.933 4236 D HN 0.104 nan 8.370 nan 0.000 0.520 4237 L N 0.924 122.160 121.223 0.022 0.000 2.397 4237 L HA 0.369 4.709 4.340 0.000 0.000 0.271 4237 L C 1.218 178.106 176.870 0.030 0.000 1.148 4237 L CA -0.102 54.755 54.840 0.028 0.000 0.825 4237 L CB 1.160 43.232 42.059 0.022 0.000 1.117 4237 L HN -0.176 nan 8.230 nan 0.000 0.456 4238 G N 1.069 109.892 108.800 0.038 0.000 2.491 4238 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 4238 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 4238 G C -1.329 173.594 174.900 0.038 0.000 1.189 4238 G CA -0.414 44.708 45.100 0.037 0.000 0.956 4238 G HN 0.570 nan 8.290 nan 0.000 0.491 4239 D N -0.688 119.732 120.400 0.033 0.000 2.350 4239 D HA 0.651 5.291 4.640 0.000 0.000 0.245 4239 D C -0.201 176.115 176.300 0.026 0.000 1.036 4239 D CA 0.140 54.157 54.000 0.027 0.000 0.848 4239 D CB 2.008 42.819 40.800 0.018 0.000 1.307 4239 D HN 0.611 nan 8.370 nan 0.000 0.469 4240 A N 0.646 123.484 122.820 0.030 0.000 2.488 4240 A HA 0.624 4.944 4.320 0.000 0.000 0.298 4240 A C 0.999 178.599 177.584 0.026 0.000 1.044 4240 A CA -0.498 51.558 52.037 0.031 0.000 0.693 4240 A CB 1.509 20.542 19.000 0.055 0.000 1.272 4240 A HN 0.585 nan 8.150 nan 0.000 0.402 4241 G N 0.622 109.431 108.800 0.015 0.000 2.408 4241 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 4241 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 4241 G C 0.392 175.304 174.900 0.020 0.000 1.150 4241 G CA 0.887 45.993 45.100 0.010 0.000 0.776 4241 G HN 0.612 nan 8.290 nan 0.000 0.542 4242 L N 0.263 121.506 121.223 0.033 0.000 2.436 4242 L HA 0.523 4.863 4.340 0.000 0.000 0.268 4242 L C -1.384 175.532 176.870 0.077 0.000 0.974 4242 L CA -0.806 54.060 54.840 0.043 0.000 0.826 4242 L CB 3.083 45.161 42.059 0.032 0.000 1.291 4242 L HN -0.222 nan 8.230 nan 0.000 0.406 4243 V N 2.468 122.430 119.914 0.080 0.000 2.409 4243 V HA 0.493 4.613 4.120 0.000 0.000 0.290 4243 V C -0.579 175.574 176.094 0.098 0.000 1.017 4243 V CA -0.442 61.929 62.300 0.118 0.000 0.841 4243 V CB 1.834 33.728 31.823 0.119 0.000 1.003 4243 V HN 0.783 nan 8.190 nan 0.000 0.426 4244 E N 3.038 123.321 120.200 0.138 0.000 2.343 4244 E HA 0.394 4.744 4.350 0.000 0.000 0.278 4244 E C -1.156 175.545 176.600 0.168 0.000 0.910 4244 E CA -0.659 55.806 56.400 0.108 0.000 0.757 4244 E CB 2.351 32.085 29.700 0.057 0.000 1.218 4244 E HN 0.747 nan 8.360 nan 0.000 0.435 4245 E N 4.133 124.401 120.200 0.113 0.000 2.152 4245 E HA 0.252 4.602 4.350 0.000 0.000 0.285 4245 E C -0.942 175.725 176.600 0.112 0.000 1.043 4245 E CA -0.255 56.221 56.400 0.127 0.000 0.839 4245 E CB 0.673 30.416 29.700 0.072 0.000 1.069 4245 E HN 0.322 nan 8.360 nan 0.000 0.399 4246 R N 3.669 124.276 120.500 0.178 0.000 2.686 4246 R HA 0.386 4.726 4.340 0.000 0.000 0.286 4246 R C -0.740 175.646 176.300 0.144 0.000 0.969 4246 R CA -0.911 55.252 56.100 0.105 0.000 0.898 4246 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 4246 R HN 0.319 nan 8.270 nan 0.000 0.456 4247 K N 2.418 122.864 120.400 0.076 0.000 2.211 4247 K HA 0.380 4.700 4.320 0.000 0.000 0.275 4247 K C -0.672 175.971 176.600 0.071 0.000 1.024 4247 K CA -0.468 55.863 56.287 0.073 0.000 0.887 4247 K CB 1.097 33.623 32.500 0.043 0.000 1.084 4247 K HN 0.295 nan 8.250 nan 0.000 0.463 4248 I N 2.044 122.668 120.570 0.090 0.000 2.390 4248 I HA 0.069 4.239 4.170 0.000 0.000 0.283 4248 I C -0.030 176.120 176.117 0.054 0.000 1.016 4248 I CA -0.062 61.285 61.300 0.078 0.000 1.151 4248 I CB 1.659 39.730 38.000 0.120 0.000 1.293 4248 I HN 0.594 nan 8.210 nan 0.000 0.458 4249 S N 4.342 120.065 115.700 0.039 0.000 3.698 4249 S HA -0.178 4.292 4.470 0.000 0.000 0.338 4249 S C 1.312 175.929 174.600 0.028 0.000 1.089 4249 S CA 0.976 59.193 58.200 0.030 0.000 0.991 4249 S CB -1.412 61.806 63.200 0.029 0.000 0.909 4249 S HN 1.454 nan 8.310 nan 0.000 0.485 4250 G N 0.641 109.459 108.800 0.029 0.000 2.579 4250 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 4250 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 4250 G C -0.351 174.568 174.900 0.032 0.000 1.201 4250 G CA 0.107 45.223 45.100 0.026 0.000 0.710 4250 G HN 0.614 nan 8.290 nan 0.000 0.516 4251 D N 2.483 122.903 120.400 0.034 0.000 2.401 4251 D HA 0.435 5.075 4.640 0.000 0.000 0.254 4251 D C 1.040 177.372 176.300 0.054 0.000 1.192 4251 D CA 0.989 55.011 54.000 0.036 0.000 0.885 4251 D CB 1.236 42.054 40.800 0.030 0.000 1.147 4251 D HN 0.687 nan 8.370 nan 0.000 0.478 4252 S N 2.596 118.327 115.700 0.052 0.000 2.565 4252 S HA 0.584 5.054 4.470 0.000 0.000 0.274 4252 S C 0.103 174.748 174.600 0.074 0.000 1.309 4252 S CA -0.667 57.577 58.200 0.072 0.000 1.043 4252 S CB 1.290 64.524 63.200 0.057 0.000 0.939 4252 S HN 0.396 nan 8.310 nan 0.000 0.504 4253 M N 2.064 121.734 119.600 0.117 0.000 2.593 4253 M HA 0.509 4.989 4.480 0.000 0.000 0.290 4253 M C -1.236 175.139 176.300 0.124 0.000 1.244 4253 M CA -0.594 54.745 55.300 0.064 0.000 0.857 4253 M CB 2.239 34.823 32.600 -0.027 0.000 1.738 4253 M HN 0.566 nan 8.290 nan 0.000 0.461 4254 I N 1.662 122.251 120.570 0.032 0.000 2.339 4254 I HA 0.373 4.543 4.170 0.000 0.000 0.290 4254 I C -1.363 174.751 176.117 -0.005 0.000 0.994 4254 I CA -0.370 61.010 61.300 0.133 0.000 1.191 4254 I CB 0.919 39.045 38.000 0.211 0.000 1.343 4254 I HN 0.425 nan 8.210 nan 0.000 0.458 4255 F N 5.912 125.907 119.950 0.075 0.000 2.405 4255 F HA 0.365 4.892 4.527 0.000 0.000 0.355 4255 F C 0.194 176.036 175.800 0.071 0.000 1.121 4255 F CA -0.736 57.296 58.000 0.053 0.000 1.112 4255 F CB 1.375 40.394 39.000 0.032 0.000 1.126 4255 F HN 0.031 nan 8.300 nan 0.000 0.481 4256 V N 4.353 124.370 119.914 0.170 0.000 2.275 4256 V HA 0.316 4.436 4.120 0.000 0.000 0.272 4256 V C -0.303 175.851 176.094 0.099 0.000 1.028 4256 V CA -0.579 61.800 62.300 0.131 0.000 0.810 4256 V CB 0.251 32.117 31.823 0.070 0.000 1.043 4256 V HN 0.806 nan 8.190 nan 0.000 0.453 4257 E N 2.999 123.265 120.200 0.110 0.000 2.378 4257 E HA 0.679 5.029 4.350 0.000 0.000 0.265 4257 E C -0.618 176.010 176.600 0.046 0.000 0.932 4257 E CA -0.888 55.561 56.400 0.082 0.000 0.795 4257 E CB 1.701 31.465 29.700 0.106 0.000 1.296 4257 E HN 0.208 nan 8.360 nan 0.000 0.438 4258 E N -0.839 119.375 120.200 0.025 0.000 2.596 4258 E HA -0.147 4.203 4.350 0.000 0.000 0.272 4258 E C -0.663 175.929 176.600 -0.014 0.000 1.039 4258 E CA 0.513 56.913 56.400 0.001 0.000 0.804 4258 E CB -2.239 27.462 29.700 0.002 0.000 1.373 4258 E HN 0.597 nan 8.360 nan 0.000 0.404 4259 C N 0.713 120.006 119.300 -0.012 0.000 2.689 4259 C HA 0.068 4.528 4.460 0.000 0.000 0.409 4259 C C 2.296 177.239 174.990 -0.079 0.000 1.293 4259 C CA -0.077 58.926 59.018 -0.024 0.000 2.136 4259 C CB 0.443 28.179 27.740 -0.007 0.000 2.719 4259 C HN 0.384 nan 8.230 nan 0.000 0.644 4260 K N 0.620 120.956 120.400 -0.107 0.000 1.969 4260 K HA -0.090 4.230 4.320 0.000 0.000 0.216 4260 K C 0.416 176.715 176.600 -0.502 0.000 1.048 4260 K CA 1.379 57.498 56.287 -0.279 0.000 0.948 4260 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 4260 K HN 0.686 nan 8.250 nan 0.000 0.442 4261 H N 0.196 119.269 119.070 0.006 0.000 2.488 4261 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 4261 H C -2.535 172.794 175.328 0.001 0.000 1.395 4261 H CA -1.999 54.051 56.048 0.003 0.000 1.491 4261 H CB 0.747 30.511 29.762 0.002 0.000 1.567 4261 H HN 0.193 nan 8.280 nan 0.000 0.508 4262 P HA 0.132 nan 4.420 nan 0.000 0.275 4262 P C 0.266 177.590 177.300 0.040 0.000 1.227 4262 P CA -0.510 62.612 63.100 0.038 0.000 0.781 4262 P CB 1.806 33.514 31.700 0.014 0.000 0.906 4263 K N 0.670 121.084 120.400 0.024 0.000 2.374 4263 K HA 0.449 4.769 4.320 0.000 0.000 0.202 4263 K C 0.285 176.886 176.600 0.002 0.000 1.040 4263 K CA 0.038 56.335 56.287 0.015 0.000 1.085 4263 K CB 0.697 33.203 32.500 0.011 0.000 0.873 4263 K HN 0.534 nan 8.250 nan 0.000 0.539 4264 A N 0.523 123.340 122.820 -0.004 0.000 2.449 4264 A HA 0.686 5.006 4.320 0.000 0.000 0.302 4264 A C -0.901 176.675 177.584 -0.014 0.000 1.048 4264 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 4264 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 4264 A HN -0.004 nan 8.150 nan 0.000 0.410 4265 V N -1.153 118.752 119.914 -0.014 0.000 3.074 4265 V HA 0.978 5.098 4.120 0.000 0.000 0.314 4265 V C -0.428 175.654 176.094 -0.020 0.000 1.117 4265 V CA -0.585 61.709 62.300 -0.010 0.000 1.014 4265 V CB 1.659 33.483 31.823 0.002 0.000 1.057 4265 V HN 0.880 nan 8.190 nan 0.000 0.438 4266 T N 3.306 117.850 114.554 -0.016 0.000 2.886 4266 T HA 0.632 4.982 4.350 0.000 0.000 0.292 4266 T C -0.558 174.141 174.700 -0.003 0.000 1.012 4266 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 4266 T CB 1.492 70.319 68.868 -0.068 0.000 1.018 4266 T HN 0.748 nan 8.240 nan 0.000 0.451 4267 M N 3.403 123.001 119.600 -0.005 0.000 2.072 4267 M HA 0.382 4.862 4.480 0.000 0.000 0.331 4267 M C -0.953 175.353 176.300 0.011 0.000 1.004 4267 M CA -0.905 54.403 55.300 0.013 0.000 0.952 4267 M CB 1.322 33.928 32.600 0.010 0.000 1.511 4267 M HN 0.343 nan 8.290 nan 0.000 0.422 4268 L N 5.789 127.033 121.223 0.036 0.000 2.315 4268 L HA 0.465 4.805 4.340 0.000 0.000 0.283 4268 L C -0.795 176.101 176.870 0.042 0.000 1.089 4268 L CA 0.252 55.117 54.840 0.042 0.000 0.833 4268 L CB 0.247 42.368 42.059 0.105 0.000 1.170 4268 L HN 0.557 nan 8.230 nan 0.000 0.442 4269 I N 6.030 126.616 120.570 0.026 0.000 2.331 4269 I HA 0.391 4.561 4.170 0.000 0.000 0.292 4269 I C 0.337 176.470 176.117 0.027 0.000 0.998 4269 I CA -0.420 60.894 61.300 0.023 0.000 1.267 4269 I CB 0.733 38.741 38.000 0.013 0.000 1.386 4269 I HN 0.611 nan 8.210 nan 0.000 0.476 4270 R N 3.698 124.215 120.500 0.029 0.000 2.828 4270 R HA 0.897 5.237 4.340 0.000 0.000 0.264 4270 R C -0.351 175.964 176.300 0.024 0.000 1.022 4270 R CA -0.969 55.148 56.100 0.028 0.000 1.021 4270 R CB 2.206 32.524 30.300 0.031 0.000 1.163 4270 R HN 0.843 nan 8.270 nan 0.000 0.494 4271 G N -0.774 108.040 108.800 0.024 0.000 2.340 4271 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 4271 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 4271 G C 0.035 174.951 174.900 0.027 0.000 1.498 4271 G CA -0.677 44.438 45.100 0.025 0.000 0.847 4271 G HN 0.398 nan 8.290 nan 0.000 0.594 4272 T N 0.342 114.913 114.554 0.028 0.000 2.881 4272 T HA 0.157 4.507 4.350 0.000 0.000 0.270 4272 T C 0.920 175.641 174.700 0.035 0.000 1.068 4272 T CA 2.100 64.217 62.100 0.028 0.000 1.131 4272 T CB -0.179 68.704 68.868 0.025 0.000 0.871 4272 T HN 0.674 nan 8.240 nan 0.000 0.479 4273 T N 0.176 114.757 114.554 0.045 0.000 2.868 4273 T HA 0.230 4.580 4.350 0.000 0.000 0.306 4273 T C 0.360 175.100 174.700 0.067 0.000 1.224 4273 T CA -0.798 61.340 62.100 0.065 0.000 1.012 4273 T CB 2.436 71.353 68.868 0.082 0.000 1.221 4273 T HN -0.178 nan 8.240 nan 0.000 0.499 4274 E N 0.649 120.889 120.200 0.066 0.000 2.097 4274 E HA -0.180 4.170 4.350 0.000 0.000 0.196 4274 E C 1.566 178.140 176.600 -0.044 0.000 1.000 4274 E CA 1.822 58.221 56.400 -0.003 0.000 0.804 4274 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 4274 E HN 0.605 nan 8.360 nan 0.000 0.454 4275 H N -0.491 118.583 119.070 0.007 0.000 2.457 4275 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 4275 H C 2.121 177.453 175.328 0.007 0.000 1.064 4275 H CA 0.956 57.008 56.048 0.006 0.000 1.330 4275 H CB 0.112 29.877 29.762 0.005 0.000 1.395 4275 H HN -0.061 nan 8.280 nan 0.000 0.541 4276 V N 1.278 121.264 119.914 0.120 0.000 2.323 4276 V HA -0.194 3.926 4.120 0.000 0.000 0.244 4276 V C 2.320 178.439 176.094 0.041 0.000 1.041 4276 V CA 1.805 64.147 62.300 0.070 0.000 1.025 4276 V CB -0.472 31.384 31.823 0.055 0.000 0.656 4276 V HN 0.544 nan 8.190 nan 0.000 0.451 4277 I N -1.725 118.863 120.570 0.029 0.000 2.830 4277 I HA -0.100 4.070 4.170 0.000 0.000 0.263 4277 I C 2.109 178.226 176.117 0.000 0.000 1.230 4277 I CA 1.429 62.736 61.300 0.013 0.000 1.480 4277 I CB -0.578 37.427 38.000 0.008 0.000 1.095 4277 I HN 0.303 nan 8.210 nan 0.000 0.455 4278 E N 1.487 121.682 120.200 -0.009 0.000 2.072 4278 E HA -0.247 4.103 4.350 0.000 0.000 0.191 4278 E C 2.010 178.611 176.600 0.001 0.000 0.985 4278 E CA 1.472 57.859 56.400 -0.021 0.000 0.801 4278 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 4278 E HN 0.559 nan 8.360 nan 0.000 0.452 4279 E N 0.605 120.817 120.200 0.019 0.000 2.106 4279 E HA -0.131 4.220 4.350 0.000 0.000 0.192 4279 E C 1.929 178.540 176.600 0.019 0.000 0.984 4279 E CA 0.806 57.220 56.400 0.023 0.000 0.806 4279 E CB 0.027 29.747 29.700 0.034 0.000 0.750 4279 E HN 0.003 nan 8.360 nan 0.000 0.458 4280 V N 0.951 120.876 119.914 0.019 0.000 2.343 4280 V HA -0.241 3.880 4.120 0.000 0.000 0.247 4280 V C 2.405 178.506 176.094 0.011 0.000 1.051 4280 V CA 1.744 64.055 62.300 0.017 0.000 1.036 4280 V CB -0.958 30.875 31.823 0.018 0.000 0.654 4280 V HN 0.474 nan 8.190 nan 0.000 0.451 4281 A N -0.125 122.698 122.820 0.006 0.000 1.940 4281 A HA -0.202 4.118 4.320 0.000 0.000 0.219 4281 A C 2.354 179.939 177.584 0.002 0.000 1.176 4281 A CA 1.502 53.539 52.037 0.000 0.000 0.631 4281 A CB -0.409 18.587 19.000 -0.008 0.000 0.814 4281 A HN 0.416 nan 8.150 nan 0.000 0.446 4282 R N -0.582 119.921 120.500 0.004 0.000 2.115 4282 R HA 0.048 4.388 4.340 0.000 0.000 0.226 4282 R C 2.388 178.694 176.300 0.009 0.000 1.100 4282 R CA 1.206 57.310 56.100 0.006 0.000 0.980 4282 R CB -0.939 29.365 30.300 0.007 0.000 0.875 4282 R HN 0.527 nan 8.270 nan 0.000 0.445 4283 A N 1.163 123.990 122.820 0.013 0.000 1.898 4283 A HA -0.116 4.204 4.320 0.000 0.000 0.216 4283 A C 2.270 179.862 177.584 0.015 0.000 1.181 4283 A CA 1.801 53.848 52.037 0.017 0.000 0.620 4283 A CB -0.523 18.490 19.000 0.021 0.000 0.819 4283 A HN 0.209 nan 8.150 nan 0.000 0.442 4284 V N -2.491 117.430 119.914 0.012 0.000 2.951 4284 V HA -0.050 4.070 4.120 0.000 0.000 0.255 4284 V C 1.834 177.932 176.094 0.007 0.000 1.088 4284 V CA 2.092 64.398 62.300 0.010 0.000 1.109 4284 V CB -0.545 31.283 31.823 0.008 0.000 0.724 4284 V HN 0.393 nan 8.190 nan 0.000 0.471 4285 D N 1.236 121.639 120.400 0.005 0.000 2.117 4285 D HA -0.164 4.476 4.640 0.000 0.000 0.198 4285 D C 1.764 178.067 176.300 0.005 0.000 0.982 4285 D CA 1.726 55.727 54.000 0.002 0.000 0.828 4285 D CB -0.133 40.667 40.800 0.001 0.000 0.967 4285 D HN 0.488 nan 8.370 nan 0.000 0.464 4286 D N -0.299 120.105 120.400 0.007 0.000 2.103 4286 D HA -0.018 4.622 4.640 0.000 0.000 0.199 4286 D C 1.954 178.261 176.300 0.010 0.000 0.978 4286 D CA 1.384 55.389 54.000 0.009 0.000 0.829 4286 D CB -0.471 40.335 40.800 0.011 0.000 0.981 4286 D HN 0.241 nan 8.370 nan 0.000 0.464 4287 A N 0.648 123.475 122.820 0.012 0.000 1.877 4287 A HA -0.128 4.192 4.320 0.000 0.000 0.216 4287 A C 2.380 179.970 177.584 0.010 0.000 1.186 4287 A CA 1.286 53.331 52.037 0.013 0.000 0.620 4287 A CB -0.905 18.104 19.000 0.015 0.000 0.822 4287 A HN 0.181 nan 8.150 nan 0.000 0.443 4288 V N -0.023 119.896 119.914 0.008 0.000 2.759 4288 V HA -0.081 4.039 4.120 0.000 0.000 0.256 4288 V C 2.299 178.396 176.094 0.006 0.000 1.080 4288 V CA 2.090 64.394 62.300 0.006 0.000 1.101 4288 V CB -0.677 31.148 31.823 0.004 0.000 0.698 4288 V HN 0.570 nan 8.190 nan 0.000 0.477 4289 G N -0.126 108.678 108.800 0.006 0.000 2.404 4289 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 4289 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 4289 G C 1.618 176.522 174.900 0.007 0.000 1.189 4289 G CA 1.328 46.431 45.100 0.006 0.000 0.789 4289 G HN 0.660 nan 8.290 nan 0.000 0.533 4290 V N -1.063 118.856 119.914 0.009 0.000 2.809 4290 V HA -0.006 4.114 4.120 0.000 0.000 0.256 4290 V C 2.630 178.730 176.094 0.010 0.000 1.080 4290 V CA 1.118 63.424 62.300 0.010 0.000 1.102 4290 V CB -0.425 31.406 31.823 0.012 0.000 0.705 4290 V HN 0.118 nan 8.190 nan 0.000 0.475 4291 V N 2.105 122.024 119.914 0.009 0.000 2.407 4291 V HA -0.081 4.039 4.120 0.000 0.000 0.248 4291 V C 2.850 178.948 176.094 0.007 0.000 1.055 4291 V CA 2.320 64.625 62.300 0.008 0.000 1.049 4291 V CB -1.325 30.503 31.823 0.008 0.000 0.662 4291 V HN 0.629 nan 8.190 nan 0.000 0.455 4292 G N -1.460 107.344 108.800 0.006 0.000 2.403 4292 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 4292 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 4292 G C 1.717 176.621 174.900 0.006 0.000 1.154 4292 G CA 1.144 46.247 45.100 0.005 0.000 0.784 4292 G HN 0.529 nan 8.290 nan 0.000 0.538 4293 C N 0.568 119.872 119.300 0.007 0.000 2.425 4293 C HA -0.015 4.445 4.460 0.000 0.000 0.277 4293 C C 3.193 178.187 174.990 0.007 0.000 1.280 4293 C CA 1.536 60.558 59.018 0.007 0.000 1.744 4293 C CB -0.917 26.828 27.740 0.008 0.000 1.989 4293 C HN 0.412 nan 8.230 nan 0.000 0.491 4294 T N 0.962 115.521 114.554 0.008 0.000 2.951 4294 T HA 0.024 4.374 4.350 0.000 0.000 0.268 4294 T C 1.552 176.256 174.700 0.006 0.000 1.073 4294 T CA 0.957 63.062 62.100 0.008 0.000 1.134 4294 T CB -0.195 68.678 68.868 0.008 0.000 0.884 4294 T HN 0.497 nan 8.240 nan 0.000 0.479 4295 I N 0.744 121.318 120.570 0.006 0.000 2.439 4295 I HA -0.078 4.092 4.170 0.000 0.000 0.251 4295 I C 2.467 178.586 176.117 0.004 0.000 1.139 4295 I CA 1.190 62.493 61.300 0.005 0.000 1.438 4295 I CB -0.201 37.802 38.000 0.005 0.000 1.085 4295 I HN 0.298 nan 8.210 nan 0.000 0.427 4296 E N 0.125 120.328 120.200 0.005 0.000 2.086 4296 E HA -0.047 4.303 4.350 0.000 0.000 0.190 4296 E C 0.004 176.607 176.600 0.004 0.000 0.975 4296 E CA 0.661 57.064 56.400 0.004 0.000 0.813 4296 E CB 0.280 29.983 29.700 0.004 0.000 0.768 4296 E HN 0.328 nan 8.360 nan 0.000 0.457 4297 D N -0.134 120.269 120.400 0.005 0.000 2.453 4297 D HA 0.147 4.787 4.640 0.000 0.000 0.238 4297 D C 0.021 176.324 176.300 0.006 0.000 1.088 4297 D CA -0.122 53.882 54.000 0.006 0.000 0.854 4297 D CB 1.603 42.407 40.800 0.007 0.000 1.076 4297 D HN 0.107 nan 8.370 nan 0.000 0.533 4298 G N 2.168 110.971 108.800 0.005 0.000 3.279 4298 G HA2 -0.029 3.931 3.960 0.000 0.000 0.230 4298 G HA3 -0.029 3.931 3.960 0.000 0.000 0.230 4298 G C 0.711 175.614 174.900 0.006 0.000 1.230 4298 G CA -0.038 45.065 45.100 0.005 0.000 0.891 4298 G HN 0.074 nan 8.290 nan 0.000 0.518 4299 R N -0.297 120.207 120.500 0.007 0.000 2.589 4299 R HA 0.741 5.081 4.340 0.000 0.000 0.293 4299 R C -0.854 175.451 176.300 0.010 0.000 0.963 4299 R CA -0.646 55.459 56.100 0.008 0.000 0.905 4299 R CB 1.873 32.178 30.300 0.007 0.000 1.144 4299 R HN 0.172 nan 8.270 nan 0.000 0.459 4300 I N 2.417 122.993 120.570 0.011 0.000 2.828 4300 I HA 0.642 4.812 4.170 0.000 0.000 0.302 4300 I C -1.097 175.029 176.117 0.016 0.000 1.101 4300 I CA -1.114 60.194 61.300 0.013 0.000 1.031 4300 I CB 2.016 40.023 38.000 0.013 0.000 1.231 4300 I HN 0.472 nan 8.210 nan 0.000 0.427 4301 V N 2.381 122.306 119.914 0.018 0.000 2.914 4301 V HA 0.669 4.789 4.120 0.000 0.000 0.314 4301 V C -0.106 176.003 176.094 0.025 0.000 1.084 4301 V CA -0.614 61.699 62.300 0.022 0.000 0.963 4301 V CB 1.381 33.218 31.823 0.023 0.000 1.025 4301 V HN 0.811 nan 8.190 nan 0.000 0.432 4302 S N 2.209 117.927 115.700 0.031 0.000 2.562 4302 S HA 0.633 5.103 4.470 0.000 0.000 0.281 4302 S C 0.526 175.145 174.600 0.033 0.000 1.333 4302 S CA 0.186 58.406 58.200 0.035 0.000 1.052 4302 S CB 0.780 64.005 63.200 0.043 0.000 0.884 4302 S HN 1.776 nan 8.310 nan 0.000 0.506 4303 G N 0.425 109.246 108.800 0.035 0.000 2.782 4303 G HA2 0.566 4.527 3.960 0.000 0.000 0.201 4303 G HA3 0.566 4.527 3.960 0.000 0.000 0.201 4303 G C 0.860 175.779 174.900 0.031 0.000 1.374 4303 G CA -0.559 44.560 45.100 0.031 0.000 1.039 4303 G HN 2.024 nan 8.290 nan 0.000 0.576 4304 G N -1.846 106.971 108.800 0.028 0.000 2.225 4304 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 4304 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 4304 G C 1.455 176.357 174.900 0.003 0.000 1.024 4304 G CA 1.218 46.329 45.100 0.019 0.000 0.784 4304 G HN 2.471 nan 8.290 nan 0.000 0.507 4305 G N -1.453 107.344 108.800 -0.005 0.000 2.162 4305 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 4305 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 4305 G C 1.485 176.371 174.900 -0.023 0.000 0.976 4305 G CA 1.679 46.768 45.100 -0.020 0.000 0.655 4305 G HN 1.972 nan 8.290 nan 0.000 0.533 4306 S N 0.048 115.747 115.700 -0.001 0.000 2.368 4306 S HA -0.164 4.306 4.470 0.000 0.000 0.225 4306 S C 2.807 177.394 174.600 -0.022 0.000 1.030 4306 S CA 2.753 60.959 58.200 0.010 0.000 0.999 4306 S CB -0.581 62.650 63.200 0.052 0.000 0.844 4306 S HN 1.376 nan 8.310 nan 0.000 0.459 4307 T N 0.129 114.677 114.554 -0.010 0.000 2.595 4307 T HA -0.102 4.248 4.350 0.000 0.000 0.264 4307 T C 1.572 176.240 174.700 -0.054 0.000 1.058 4307 T CA 1.638 63.729 62.100 -0.016 0.000 1.166 4307 T CB -1.083 67.786 68.868 0.001 0.000 0.863 4307 T HN 0.426 nan 8.240 nan 0.000 0.415 4308 E N 1.028 121.198 120.200 -0.050 0.000 2.187 4308 E HA -0.094 4.256 4.350 0.000 0.000 0.199 4308 E C 2.284 178.824 176.600 -0.100 0.000 1.004 4308 E CA 1.086 57.447 56.400 -0.065 0.000 0.813 4308 E CB -0.863 28.799 29.700 -0.063 0.000 0.736 4308 E HN 0.422 nan 8.360 nan 0.000 0.468 4309 V N 1.000 120.831 119.914 -0.140 0.000 2.307 4309 V HA -0.232 3.888 4.120 0.000 0.000 0.245 4309 V C 2.386 178.251 176.094 -0.382 0.000 1.045 4309 V CA 1.872 64.038 62.300 -0.224 0.000 1.024 4309 V CB -0.447 31.237 31.823 -0.232 0.000 0.651 4309 V HN 0.301 nan 8.190 nan 0.000 0.449 4310 E N 0.325 120.241 120.200 -0.474 0.000 2.118 4310 E HA -0.207 4.143 4.350 0.000 0.000 0.195 4310 E C 2.155 178.676 176.600 -0.131 0.000 0.992 4310 E CA 1.490 57.639 56.400 -0.419 0.000 0.804 4310 E CB -0.144 29.504 29.700 -0.087 0.000 0.741 4310 E HN 0.586 nan 8.360 nan 0.000 0.458 4311 L N 0.149 121.323 121.223 -0.081 0.000 2.027 4311 L HA -0.137 4.203 4.340 0.000 0.000 0.206 4311 L C 2.860 179.739 176.870 0.015 0.000 1.074 4311 L CA 1.297 56.136 54.840 -0.002 0.000 0.745 4311 L CB -0.579 41.498 42.059 0.029 0.000 0.898 4311 L HN 0.105 nan 8.230 nan 0.000 0.433 4312 S N -0.452 115.232 115.700 -0.027 0.000 2.368 4312 S HA -0.174 4.296 4.470 0.000 0.000 0.225 4312 S C 2.137 176.736 174.600 -0.001 0.000 1.030 4312 S CA 1.107 59.301 58.200 -0.011 0.000 0.999 4312 S CB -0.005 63.168 63.200 -0.044 0.000 0.844 4312 S HN 0.195 nan 8.310 nan 0.000 0.459 4313 M N 0.957 120.538 119.600 -0.032 0.000 2.086 4313 M HA -0.019 4.461 4.480 0.000 0.000 0.261 4313 M C 2.243 178.567 176.300 0.039 0.000 1.067 4313 M CA 1.650 56.953 55.300 0.005 0.000 1.116 4313 M CB -1.255 31.351 32.600 0.011 0.000 1.348 4313 M HN 0.266 nan 8.290 nan 0.000 0.407 4314 K N 0.667 121.090 120.400 0.038 0.000 2.062 4314 K HA 0.013 4.333 4.320 0.000 0.000 0.205 4314 K C 1.892 178.538 176.600 0.076 0.000 1.051 4314 K CA 0.992 57.306 56.287 0.045 0.000 0.941 4314 K CB -0.320 32.190 32.500 0.017 0.000 0.719 4314 K HN 0.263 nan 8.250 nan 0.000 0.440 4315 L N 0.247 121.525 121.223 0.092 0.000 2.275 4315 L HA -0.057 4.283 4.340 0.000 0.000 0.215 4315 L C 2.355 179.309 176.870 0.140 0.000 1.119 4315 L CA 0.871 55.810 54.840 0.166 0.000 0.790 4315 L CB -0.263 41.901 42.059 0.175 0.000 0.919 4315 L HN 0.153 nan 8.230 nan 0.000 0.443 4316 R N 0.016 120.568 120.500 0.088 0.000 2.081 4316 R HA -0.199 4.141 4.340 0.000 0.000 0.235 4316 R C 2.185 178.523 176.300 0.064 0.000 1.131 4316 R CA 1.508 57.643 56.100 0.058 0.000 0.960 4316 R CB -0.175 30.148 30.300 0.038 0.000 0.856 4316 R HN 0.376 nan 8.270 nan 0.000 0.436 4317 E N -0.249 120.000 120.200 0.082 0.000 2.152 4317 E HA -0.202 4.148 4.350 0.000 0.000 0.192 4317 E C 1.588 178.269 176.600 0.136 0.000 0.983 4317 E CA 0.696 57.147 56.400 0.085 0.000 0.818 4317 E CB -0.013 29.731 29.700 0.074 0.000 0.758 4317 E HN 0.253 nan 8.360 nan 0.000 0.467 4318 Y N 0.931 121.227 120.300 -0.007 0.000 2.181 4318 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 4318 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 4318 Y CA 1.268 59.357 58.100 -0.018 0.000 1.164 4318 Y CB -0.825 37.617 38.460 -0.030 0.000 0.982 4318 Y HN 0.130 nan 8.280 nan 0.000 0.515 4319 A N 0.155 122.957 122.820 -0.030 0.000 1.908 4319 A HA -0.180 4.140 4.320 0.000 0.000 0.218 4319 A C 2.145 179.682 177.584 -0.079 0.000 1.181 4319 A CA 1.893 53.864 52.037 -0.110 0.000 0.627 4319 A CB -0.524 18.450 19.000 -0.045 0.000 0.818 4319 A HN 0.478 nan 8.150 nan 0.000 0.445 4320 E N -0.568 119.619 120.200 -0.021 0.000 2.106 4320 E HA -0.104 4.246 4.350 0.000 0.000 0.192 4320 E C 2.175 178.767 176.600 -0.013 0.000 0.984 4320 E CA 1.103 57.497 56.400 -0.009 0.000 0.806 4320 E CB -0.638 29.070 29.700 0.013 0.000 0.750 4320 E HN 0.591 nan 8.360 nan 0.000 0.458 4321 G N 1.105 109.906 108.800 0.002 0.000 2.403 4321 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 4321 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 4321 G C 1.748 176.625 174.900 -0.039 0.000 1.154 4321 G CA 0.288 45.397 45.100 0.015 0.000 0.784 4321 G HN 0.152 nan 8.290 nan 0.000 0.538 4322 I N -0.174 120.317 120.570 -0.132 0.000 2.202 4322 I HA -0.013 4.157 4.170 0.000 0.000 0.242 4322 I C 1.739 177.795 176.117 -0.102 0.000 1.091 4322 I CA 0.763 61.958 61.300 -0.176 0.000 1.368 4322 I CB -0.280 37.520 38.000 -0.334 0.000 1.058 4322 I HN 0.314 nan 8.210 nan 0.000 0.410 4323 S N -1.117 114.531 115.700 -0.086 0.000 3.443 4323 S HA -0.141 4.329 4.470 0.000 0.000 0.635 4323 S C 0.560 175.130 174.600 -0.049 0.000 2.555 4323 S CA 0.867 59.035 58.200 -0.052 0.000 2.778 4323 S CB -1.386 61.794 63.200 -0.034 0.000 0.331 4323 S HN 1.357 nan 8.310 nan 0.000 1.765 4324 G N 0.783 109.565 108.800 -0.030 0.000 2.547 4324 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 4324 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 4324 G C 0.366 175.256 174.900 -0.016 0.000 1.209 4324 G CA 1.068 46.154 45.100 -0.022 0.000 0.959 4324 G HN 1.148 nan 8.290 nan 0.000 0.563 4325 R N 0.573 121.067 120.500 -0.010 0.000 2.161 4325 R HA 0.135 4.475 4.340 0.000 0.000 0.213 4325 R C 2.483 178.785 176.300 0.003 0.000 1.055 4325 R CA 1.507 57.610 56.100 0.005 0.000 0.996 4325 R CB -0.188 30.123 30.300 0.018 0.000 0.901 4325 R HN 0.603 nan 8.270 nan 0.000 0.456 4326 E N 1.267 121.457 120.200 -0.018 0.000 2.204 4326 E HA -0.236 4.114 4.350 0.000 0.000 0.195 4326 E C 1.984 178.550 176.600 -0.057 0.000 0.990 4326 E CA 1.416 57.796 56.400 -0.034 0.000 0.821 4326 E CB -0.093 29.564 29.700 -0.072 0.000 0.750 4326 E HN 0.469 nan 8.360 nan 0.000 0.477 4327 Q N 0.201 119.964 119.800 -0.062 0.000 2.170 4327 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 4327 Q C 1.716 177.696 176.000 -0.033 0.000 0.976 4327 Q CA 1.042 56.803 55.803 -0.069 0.000 0.858 4327 Q CB -0.209 28.497 28.738 -0.054 0.000 0.907 4327 Q HN 0.205 nan 8.270 nan 0.000 0.433 4328 L N 1.074 122.295 121.223 -0.004 0.000 2.093 4328 L HA -0.015 4.325 4.340 0.000 0.000 0.208 4328 L C 2.533 179.432 176.870 0.048 0.000 1.085 4328 L CA 1.868 56.721 54.840 0.022 0.000 0.755 4328 L CB -0.981 41.099 42.059 0.034 0.000 0.904 4328 L HN 0.393 nan 8.230 nan 0.000 0.435 4329 A N -1.325 121.536 122.820 0.069 0.000 1.929 4329 A HA -0.093 4.227 4.320 0.000 0.000 0.216 4329 A C 2.320 179.857 177.584 -0.079 0.000 1.176 4329 A CA 1.546 53.675 52.037 0.153 0.000 0.628 4329 A CB -0.737 18.411 19.000 0.247 0.000 0.816 4329 A HN 0.192 nan 8.150 nan 0.000 0.444 4330 V N -0.001 119.854 119.914 -0.098 0.000 2.427 4330 V HA -0.190 3.930 4.120 0.000 0.000 0.248 4330 V C 2.634 178.698 176.094 -0.050 0.000 1.051 4330 V CA 2.194 64.410 62.300 -0.139 0.000 1.048 4330 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 4330 V HN 0.599 nan 8.190 nan 0.000 0.456 4331 R N 1.206 121.688 120.500 -0.030 0.000 2.081 4331 R HA -0.061 4.279 4.340 0.000 0.000 0.235 4331 R C 2.154 178.452 176.300 -0.003 0.000 1.131 4331 R CA 1.850 57.949 56.100 -0.003 0.000 0.960 4331 R CB -0.919 29.382 30.300 0.002 0.000 0.856 4331 R HN 0.435 nan 8.270 nan 0.000 0.436 4332 A N -0.503 122.314 122.820 -0.005 0.000 1.930 4332 A HA -0.121 4.199 4.320 0.000 0.000 0.217 4332 A C 2.161 179.700 177.584 -0.074 0.000 1.175 4332 A CA 1.336 53.381 52.037 0.015 0.000 0.627 4332 A CB -0.820 18.269 19.000 0.149 0.000 0.815 4332 A HN 0.481 nan 8.150 nan 0.000 0.443 4333 F N 0.879 120.568 119.950 -0.435 0.000 2.075 4333 F HA -0.063 4.464 4.527 0.000 0.000 0.297 4333 F C 2.553 178.236 175.800 -0.194 0.000 1.113 4333 F CA 1.534 59.246 58.000 -0.481 0.000 1.218 4333 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 4333 F HN 0.244 nan 8.300 nan 0.000 0.472 4334 A N -0.158 122.723 122.820 0.102 0.000 1.933 4334 A HA -0.188 4.132 4.320 0.000 0.000 0.218 4334 A C 1.892 179.449 177.584 -0.046 0.000 1.175 4334 A CA 2.007 54.082 52.037 0.064 0.000 0.628 4334 A CB -0.962 18.094 19.000 0.093 0.000 0.814 4334 A HN 0.463 nan 8.150 nan 0.000 0.444 4335 D N -0.051 120.321 120.400 -0.046 0.000 2.149 4335 D HA 0.022 4.662 4.640 0.000 0.000 0.201 4335 D C 2.187 178.440 176.300 -0.078 0.000 0.972 4335 D CA 1.348 55.319 54.000 -0.048 0.000 0.835 4335 D CB -0.367 40.418 40.800 -0.024 0.000 0.966 4335 D HN 0.415 nan 8.370 nan 0.000 0.476 4336 A N 0.474 123.224 122.820 -0.117 0.000 1.969 4336 A HA -0.116 4.204 4.320 0.000 0.000 0.218 4336 A C 2.019 179.497 177.584 -0.177 0.000 1.169 4336 A CA 0.760 52.715 52.037 -0.137 0.000 0.635 4336 A CB -0.528 18.380 19.000 -0.154 0.000 0.810 4336 A HN 0.139 nan 8.150 nan 0.000 0.445 4337 L N 0.275 121.353 121.223 -0.242 0.000 2.191 4337 L HA -0.140 4.200 4.340 0.000 0.000 0.212 4337 L C 1.999 178.795 176.870 -0.124 0.000 1.103 4337 L CA 1.661 56.374 54.840 -0.212 0.000 0.769 4337 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 4337 L HN 0.479 nan 8.230 nan 0.000 0.438 4338 E N -1.382 118.759 120.200 -0.099 0.000 2.515 4338 E HA -0.131 4.219 4.350 0.000 0.000 0.201 4338 E C 2.189 178.751 176.600 -0.064 0.000 1.071 4338 E CA 0.263 56.619 56.400 -0.072 0.000 0.880 4338 E CB -0.065 29.600 29.700 -0.058 0.000 0.828 4338 E HN 0.294 nan 8.360 nan 0.000 0.540 4339 V N 1.043 120.915 119.914 -0.071 0.000 2.594 4339 V HA -0.238 3.882 4.120 0.000 0.000 0.253 4339 V C 1.716 177.779 176.094 -0.053 0.000 1.069 4339 V CA 1.237 63.502 62.300 -0.059 0.000 1.082 4339 V CB -0.173 31.613 31.823 -0.062 0.000 0.680 4339 V HN 0.275 nan 8.190 nan 0.000 0.469 4340 I N 0.354 120.890 120.570 -0.057 0.000 2.162 4340 I HA -0.017 4.153 4.170 0.000 0.000 0.238 4340 I C 0.244 176.335 176.117 -0.045 0.000 1.076 4340 I CA 1.413 62.684 61.300 -0.049 0.000 1.353 4340 I CB -2.838 35.133 38.000 -0.048 0.000 1.063 4340 I HN 0.304 nan 8.210 nan 0.000 0.408 4341 P HA -0.193 nan 4.420 nan 0.000 0.216 4341 P C 1.842 179.120 177.300 -0.038 0.000 1.157 4341 P CA 1.542 64.618 63.100 -0.040 0.000 0.880 4341 P CB -0.218 31.457 31.700 -0.042 0.000 0.791 4342 R N -0.012 120.465 120.500 -0.039 0.000 2.096 4342 R HA -0.140 4.200 4.340 0.000 0.000 0.240 4342 R C 1.921 178.199 176.300 -0.036 0.000 1.139 4342 R CA 2.766 58.845 56.100 -0.036 0.000 0.952 4342 R CB -1.485 28.794 30.300 -0.036 0.000 0.854 4342 R HN 0.283 nan 8.270 nan 0.000 0.436 4343 T N -1.582 112.949 114.554 -0.039 0.000 3.067 4343 T HA 0.020 4.370 4.350 0.000 0.000 0.257 4343 T C 2.005 176.678 174.700 -0.046 0.000 1.105 4343 T CA 0.096 62.172 62.100 -0.040 0.000 1.104 4343 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 4343 T HN 0.024 nan 8.240 nan 0.000 0.498 4344 L N 1.678 122.872 121.223 -0.049 0.000 2.083 4344 L HA 0.228 4.568 4.340 0.000 0.000 0.209 4344 L C 2.927 179.758 176.870 -0.066 0.000 1.083 4344 L CA 1.631 56.435 54.840 -0.061 0.000 0.752 4344 L CB -1.202 40.824 42.059 -0.055 0.000 0.899 4344 L HN 0.455 nan 8.230 nan 0.000 0.433 4345 A N -1.537 121.253 122.820 -0.050 0.000 1.935 4345 A HA -0.117 4.203 4.320 0.000 0.000 0.214 4345 A C 2.230 179.789 177.584 -0.043 0.000 1.178 4345 A CA 1.009 53.019 52.037 -0.046 0.000 0.640 4345 A CB -0.366 18.614 19.000 -0.033 0.000 0.825 4345 A HN 0.342 nan 8.150 nan 0.000 0.447 4346 E N 1.614 121.791 120.200 -0.038 0.000 2.033 4346 E HA -0.258 4.092 4.350 0.000 0.000 0.199 4346 E C 1.682 178.260 176.600 -0.036 0.000 1.011 4346 E CA 2.052 58.432 56.400 -0.034 0.000 0.815 4346 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 4346 E HN 0.768 nan 8.360 nan 0.000 0.451 4347 N N -0.125 118.550 118.700 -0.042 0.000 2.467 4347 N HA 0.014 4.754 4.740 0.000 0.000 0.184 4347 N C 1.077 176.554 175.510 -0.054 0.000 1.106 4347 N CA 1.055 54.079 53.050 -0.044 0.000 0.892 4347 N CB -0.195 38.266 38.487 -0.044 0.000 0.969 4347 N HN 0.189 nan 8.380 nan 0.000 0.454 4348 A N -0.224 122.557 122.820 -0.065 0.000 2.208 4348 A HA 0.480 4.800 4.320 0.000 0.000 0.209 4348 A C 1.626 179.178 177.584 -0.054 0.000 1.161 4348 A CA 0.468 52.458 52.037 -0.078 0.000 0.782 4348 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 4348 A HN 0.615 nan 8.150 nan 0.000 0.477 4349 G N -1.629 107.147 108.800 -0.040 0.000 2.132 4349 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 4349 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 4349 G C -0.169 174.717 174.900 -0.023 0.000 0.989 4349 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 4349 G HN 0.278 nan 8.290 nan 0.000 0.522 4350 L N 0.792 121.999 121.223 -0.027 0.000 2.344 4350 L HA 0.517 4.857 4.340 0.000 0.000 0.272 4350 L C 0.285 177.144 176.870 -0.019 0.000 1.035 4350 L CA -0.845 53.982 54.840 -0.021 0.000 0.807 4350 L CB 1.367 43.411 42.059 -0.023 0.000 1.237 4350 L HN 0.211 nan 8.230 nan 0.000 0.442 4351 D N 1.425 121.817 120.400 -0.014 0.000 2.346 4351 D HA 0.112 4.752 4.640 0.000 0.000 0.260 4351 D C 0.828 177.120 176.300 -0.015 0.000 1.252 4351 D CA 0.112 54.104 54.000 -0.013 0.000 0.895 4351 D CB 1.602 42.396 40.800 -0.009 0.000 1.097 4351 D HN 0.642 nan 8.370 nan 0.000 0.489 4352 A N 5.457 128.267 122.820 -0.017 0.000 1.908 4352 A HA -0.192 4.128 4.320 0.000 0.000 0.218 4352 A C 2.139 179.713 177.584 -0.016 0.000 1.181 4352 A CA 0.880 52.906 52.037 -0.019 0.000 0.627 4352 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 4352 A HN 0.710 nan 8.150 nan 0.000 0.445 4353 I N -0.258 120.305 120.570 -0.013 0.000 2.163 4353 I HA -0.200 3.970 4.170 0.000 0.000 0.240 4353 I C 2.475 178.588 176.117 -0.007 0.000 1.081 4353 I CA 1.857 63.151 61.300 -0.010 0.000 1.353 4353 I CB -1.516 36.478 38.000 -0.009 0.000 1.054 4353 I HN 0.572 nan 8.210 nan 0.000 0.407 4354 E N 0.939 121.135 120.200 -0.006 0.000 2.077 4354 E HA -0.207 4.143 4.350 0.000 0.000 0.193 4354 E C 2.313 178.912 176.600 -0.002 0.000 0.989 4354 E CA 1.123 57.521 56.400 -0.003 0.000 0.800 4354 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 4354 E HN 0.238 nan 8.360 nan 0.000 0.452 4355 I N 0.860 121.427 120.570 -0.005 0.000 2.202 4355 I HA -0.234 3.936 4.170 0.000 0.000 0.242 4355 I C 2.398 178.513 176.117 -0.003 0.000 1.091 4355 I CA 0.808 62.106 61.300 -0.003 0.000 1.368 4355 I CB -0.963 37.032 38.000 -0.008 0.000 1.058 4355 I HN 0.244 nan 8.210 nan 0.000 0.410 4356 L N 0.135 121.354 121.223 -0.008 0.000 2.131 4356 L HA -0.146 4.194 4.340 0.000 0.000 0.210 4356 L C 2.573 179.441 176.870 -0.003 0.000 1.092 4356 L CA 1.264 56.099 54.840 -0.010 0.000 0.759 4356 L CB -1.000 41.050 42.059 -0.016 0.000 0.903 4356 L HN -0.001 nan 8.230 nan 0.000 0.435 4357 V N -0.824 119.090 119.914 -0.000 0.000 2.358 4357 V HA -0.272 3.848 4.120 0.000 0.000 0.246 4357 V C 2.422 178.523 176.094 0.011 0.000 1.047 4357 V CA 1.564 63.867 62.300 0.004 0.000 1.035 4357 V CB -0.492 31.334 31.823 0.003 0.000 0.658 4357 V HN 0.427 nan 8.190 nan 0.000 0.452 4358 K N -0.408 119.998 120.400 0.010 0.000 2.097 4358 K HA -0.075 4.245 4.320 0.000 0.000 0.205 4358 K C 2.018 178.632 176.600 0.023 0.000 1.050 4358 K CA 1.114 57.410 56.287 0.015 0.000 0.938 4358 K CB -0.204 32.304 32.500 0.012 0.000 0.718 4358 K HN 0.324 nan 8.250 nan 0.000 0.442 4359 V N 1.153 121.080 119.914 0.022 0.000 2.346 4359 V HA -0.163 3.957 4.120 0.000 0.000 0.244 4359 V C 2.134 178.259 176.094 0.051 0.000 1.037 4359 V CA 1.451 63.771 62.300 0.033 0.000 1.029 4359 V CB -0.388 31.445 31.823 0.017 0.000 0.663 4359 V HN 0.230 nan 8.190 nan 0.000 0.454 4360 R N 0.382 120.900 120.500 0.030 0.000 2.096 4360 R HA -0.105 4.235 4.340 0.000 0.000 0.235 4360 R C 2.410 178.753 176.300 0.071 0.000 1.127 4360 R CA 1.478 57.599 56.100 0.035 0.000 0.968 4360 R CB -0.588 29.716 30.300 0.006 0.000 0.861 4360 R HN 0.530 nan 8.270 nan 0.000 0.440 4361 A N 1.258 124.108 122.820 0.050 0.000 1.898 4361 A HA -0.069 4.251 4.320 0.000 0.000 0.216 4361 A C 2.376 179.992 177.584 0.054 0.000 1.181 4361 A CA 1.538 53.603 52.037 0.047 0.000 0.620 4361 A CB -0.607 18.410 19.000 0.029 0.000 0.819 4361 A HN 0.382 nan 8.150 nan 0.000 0.442 4362 A N -1.183 121.671 122.820 0.057 0.000 1.933 4362 A HA -0.224 4.096 4.320 0.000 0.000 0.218 4362 A C 2.138 179.759 177.584 0.062 0.000 1.175 4362 A CA 1.777 53.844 52.037 0.050 0.000 0.628 4362 A CB -0.913 18.115 19.000 0.047 0.000 0.814 4362 A HN 0.766 nan 8.150 nan 0.000 0.444 4363 H N 0.012 119.084 119.070 0.004 0.000 2.299 4363 H HA -0.046 4.510 4.556 0.000 0.000 0.302 4363 H C 2.330 177.661 175.328 0.004 0.000 1.078 4363 H CA 1.769 57.820 56.048 0.005 0.000 1.323 4363 H CB -0.283 29.482 29.762 0.005 0.000 1.381 4363 H HN 0.390 nan 8.280 nan 0.000 0.498 4364 A N 0.014 122.902 122.820 0.112 0.000 1.940 4364 A HA -0.179 4.141 4.320 0.000 0.000 0.219 4364 A C 2.776 180.346 177.584 -0.023 0.000 1.176 4364 A CA 2.101 54.169 52.037 0.052 0.000 0.631 4364 A CB -0.827 18.223 19.000 0.083 0.000 0.814 4364 A HN 0.518 nan 8.150 nan 0.000 0.446 4365 S N -0.656 115.034 115.700 -0.017 0.000 2.341 4365 S HA -0.068 4.402 4.470 0.000 0.000 0.216 4365 S C 1.860 176.432 174.600 -0.047 0.000 1.034 4365 S CA 0.966 59.152 58.200 -0.023 0.000 0.964 4365 S CB -0.386 62.811 63.200 -0.006 0.000 0.882 4365 S HN 0.639 nan 8.310 nan 0.000 0.469 4366 N N 0.983 119.650 118.700 -0.055 0.000 2.416 4366 N HA 0.214 4.954 4.740 0.000 0.000 0.177 4366 N C 1.042 176.493 175.510 -0.098 0.000 1.036 4366 N CA 0.941 53.957 53.050 -0.058 0.000 0.901 4366 N CB 0.464 38.931 38.487 -0.033 0.000 0.976 4366 N HN 0.595 nan 8.380 nan 0.000 0.444 4367 G N 0.651 109.337 108.800 -0.189 0.000 2.352 4367 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 4367 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 4367 G C -0.112 174.548 174.900 -0.399 0.000 1.249 4367 G CA -0.191 44.754 45.100 -0.258 0.000 1.053 4367 G HN 0.242 nan 8.290 nan 0.000 0.492 4368 N N -0.275 118.280 118.700 -0.242 0.000 2.368 4368 N HA 0.095 4.835 4.740 0.000 0.000 0.176 4368 N C 1.616 177.144 175.510 0.030 0.000 1.021 4368 N CA 0.912 53.908 53.050 -0.090 0.000 0.888 4368 N CB 0.108 38.598 38.487 0.006 0.000 0.995 4368 N HN 0.282 nan 8.380 nan 0.000 0.437 4369 K N -0.208 120.189 120.400 -0.005 0.000 2.374 4369 K HA 0.271 4.591 4.320 0.000 0.000 0.196 4369 K C -0.646 175.963 176.600 0.015 0.000 1.023 4369 K CA 0.148 56.444 56.287 0.016 0.000 1.103 4369 K CB 0.545 33.048 32.500 0.005 0.000 0.848 4369 K HN 0.115 nan 8.250 nan 0.000 0.528 4370 C N 1.005 120.305 119.300 0.001 0.000 3.094 4370 C HA 0.817 5.277 4.460 0.000 0.000 0.262 4370 C C 0.350 175.356 174.990 0.027 0.000 1.459 4370 C CA -0.723 58.297 59.018 0.003 0.000 1.570 4370 C CB -1.225 26.501 27.740 -0.024 0.000 2.056 4370 C HN 0.467 nan 8.230 nan 0.000 0.499 4371 A N 0.479 123.338 122.820 0.064 0.000 5.650 4371 A HA 0.952 5.272 4.320 0.000 0.000 0.194 4371 A C 0.232 177.860 177.584 0.075 0.000 0.895 4371 A CA 0.396 52.487 52.037 0.091 0.000 0.804 4371 A CB -0.453 18.654 19.000 0.178 0.000 2.103 4371 A HN 2.020 nan 8.150 nan 0.000 1.022 4372 G N -1.920 106.923 108.800 0.071 0.000 2.888 4372 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 4372 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 4372 G C -0.831 174.089 174.900 0.033 0.000 1.461 4372 G CA -0.069 45.056 45.100 0.041 0.000 0.897 4372 G HN 1.441 nan 8.290 nan 0.000 0.547 4373 L N 0.508 121.742 121.223 0.020 0.000 2.292 4373 L HA 0.497 4.837 4.340 0.000 0.000 0.284 4373 L C 0.578 177.464 176.870 0.027 0.000 1.065 4373 L CA -0.454 54.394 54.840 0.013 0.000 0.806 4373 L CB 1.611 43.664 42.059 -0.010 0.000 1.175 4373 L HN 0.626 nan 8.230 nan 0.000 0.431 4374 N N 1.204 119.928 118.700 0.040 0.000 2.699 4374 N HA 0.211 4.951 4.740 0.000 0.000 0.232 4374 N C 0.842 176.378 175.510 0.042 0.000 1.027 4374 N CA -0.360 52.738 53.050 0.080 0.000 0.920 4374 N CB 0.962 39.511 38.487 0.105 0.000 1.148 4374 N HN 0.446 nan 8.380 nan 0.000 0.509 4375 V N 0.783 120.668 119.914 -0.048 0.000 2.913 4375 V HA -0.033 4.087 4.120 0.000 0.000 0.260 4375 V C 1.439 177.425 176.094 -0.181 0.000 1.098 4375 V CA 1.228 63.436 62.300 -0.153 0.000 1.121 4375 V CB -1.200 30.464 31.823 -0.265 0.000 0.714 4375 V HN 0.409 nan 8.190 nan 0.000 0.487 4376 F N 2.505 122.456 119.950 0.001 0.000 2.206 4376 F HA -0.055 4.472 4.527 0.000 0.000 0.298 4376 F C 2.727 178.528 175.800 0.002 0.000 1.090 4376 F CA 1.861 59.862 58.000 0.002 0.000 1.323 4376 F CB -0.385 38.616 39.000 0.002 0.000 1.028 4376 F HN 0.366 nan 8.300 nan 0.000 0.492 4377 T N -3.770 110.892 114.554 0.179 0.000 3.022 4377 T HA 0.363 4.713 4.350 0.000 0.000 0.250 4377 T C 1.437 176.168 174.700 0.052 0.000 1.060 4377 T CA 0.420 62.578 62.100 0.096 0.000 1.013 4377 T CB 0.271 69.186 68.868 0.079 0.000 0.982 4377 T HN 0.376 nan 8.240 nan 0.000 0.508 4378 G N 1.057 109.878 108.800 0.037 0.000 2.291 4378 G HA2 0.286 4.246 3.960 0.000 0.000 0.271 4378 G HA3 0.286 4.246 3.960 0.000 0.000 0.271 4378 G C 0.036 174.943 174.900 0.012 0.000 1.099 4378 G CA -0.229 44.876 45.100 0.008 0.000 0.919 4378 G HN 1.393 nan 8.290 nan 0.000 0.496 4379 A N -1.509 121.323 122.820 0.020 0.000 2.601 4379 A HA 0.903 5.223 4.320 0.000 0.000 0.291 4379 A C 0.036 177.634 177.584 0.024 0.000 1.075 4379 A CA 0.110 52.159 52.037 0.020 0.000 0.671 4379 A CB 1.399 20.412 19.000 0.023 0.000 1.277 4379 A HN 1.817 nan 8.150 nan 0.000 0.417 4380 V N 1.419 121.346 119.914 0.022 0.000 2.673 4380 V HA 0.451 4.571 4.120 0.000 0.000 0.303 4380 V C -0.041 176.072 176.094 0.032 0.000 1.046 4380 V CA 0.934 63.250 62.300 0.027 0.000 1.126 4380 V CB 0.515 32.354 31.823 0.026 0.000 0.934 4380 V HN 0.908 nan 8.190 nan 0.000 0.487 4381 E N 3.617 123.840 120.200 0.037 0.000 2.350 4381 E HA 0.449 4.799 4.350 0.000 0.000 0.243 4381 E C -1.649 174.973 176.600 0.037 0.000 0.959 4381 E CA -0.716 55.706 56.400 0.037 0.000 0.883 4381 E CB 0.866 30.592 29.700 0.044 0.000 1.820 4381 E HN 0.659 nan 8.360 nan 0.000 0.441 4382 D N 1.401 121.821 120.400 0.033 0.000 2.427 4382 D HA 0.234 4.874 4.640 0.000 0.000 0.226 4382 D C 1.085 177.406 176.300 0.035 0.000 1.076 4382 D CA -0.305 53.714 54.000 0.030 0.000 0.849 4382 D CB 1.022 41.834 40.800 0.019 0.000 1.052 4382 D HN 0.162 nan 8.370 nan 0.000 0.515 4383 M N 0.387 120.012 119.600 0.043 0.000 2.099 4383 M HA -0.123 4.357 4.480 0.000 0.000 0.262 4383 M C 2.286 178.608 176.300 0.036 0.000 1.067 4383 M CA 0.885 56.213 55.300 0.047 0.000 1.124 4383 M CB -0.827 31.803 32.600 0.051 0.000 1.353 4383 M HN 0.502 nan 8.290 nan 0.000 0.410 4384 C N 0.702 120.020 119.300 0.031 0.000 2.429 4384 C HA -0.163 4.297 4.460 0.000 0.000 0.277 4384 C C 2.707 177.706 174.990 0.015 0.000 1.262 4384 C CA 1.347 60.378 59.018 0.022 0.000 1.733 4384 C CB -0.930 26.822 27.740 0.020 0.000 2.010 4384 C HN 0.633 nan 8.230 nan 0.000 0.483 4385 E N 0.129 120.338 120.200 0.014 0.000 2.118 4385 E HA -0.202 4.148 4.350 0.000 0.000 0.195 4385 E C 1.208 177.811 176.600 0.005 0.000 0.992 4385 E CA 1.354 57.759 56.400 0.008 0.000 0.804 4385 E CB -0.144 29.561 29.700 0.008 0.000 0.741 4385 E HN 0.630 nan 8.360 nan 0.000 0.458 4386 N N -0.525 118.181 118.700 0.011 0.000 2.398 4386 N HA 0.041 4.781 4.740 0.000 0.000 0.188 4386 N C 0.592 176.100 175.510 -0.002 0.000 1.122 4386 N CA 0.911 53.963 53.050 0.003 0.000 0.866 4386 N CB 0.945 39.441 38.487 0.015 0.000 0.970 4386 N HN 0.320 nan 8.380 nan 0.000 0.462 4387 G N 0.153 108.956 108.800 0.005 0.000 2.160 4387 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 4387 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 4387 G C -0.076 174.835 174.900 0.017 0.000 1.008 4387 G CA 0.150 45.253 45.100 0.005 0.000 0.724 4387 G HN 0.196 nan 8.290 nan 0.000 0.514 4388 V N 1.376 121.310 119.914 0.034 0.000 2.222 4388 V HA 0.482 4.602 4.120 0.000 0.000 0.253 4388 V C 0.789 176.911 176.094 0.047 0.000 1.210 4388 V CA 0.111 62.446 62.300 0.058 0.000 1.079 4388 V CB 0.493 32.369 31.823 0.088 0.000 1.265 4388 V HN 1.022 nan 8.190 nan 0.000 0.494 4389 V N 1.229 121.166 119.914 0.038 0.000 2.876 4389 V HA 0.795 4.915 4.120 0.000 0.000 0.312 4389 V C -0.703 175.408 176.094 0.029 0.000 1.085 4389 V CA -0.820 61.499 62.300 0.031 0.000 0.945 4389 V CB 2.485 34.322 31.823 0.023 0.000 1.017 4389 V HN 0.625 nan 8.190 nan 0.000 0.428 4390 E N 2.857 123.072 120.200 0.025 0.000 2.317 4390 E HA 0.532 4.882 4.350 0.000 0.000 0.270 4390 E C -2.972 173.639 176.600 0.018 0.000 0.885 4390 E CA -2.264 54.149 56.400 0.022 0.000 0.760 4390 E CB 2.743 32.456 29.700 0.021 0.000 1.227 4390 E HN 0.550 nan 8.360 nan 0.000 0.434 4391 P HA -0.098 nan 4.420 nan 0.000 0.266 4391 P C 0.507 177.816 177.300 0.014 0.000 1.193 4391 P CA -0.099 63.010 63.100 0.014 0.000 0.770 4391 P CB 0.529 32.236 31.700 0.013 0.000 0.836 4392 L N 4.072 125.303 121.223 0.014 0.000 2.042 4392 L HA -0.172 4.168 4.340 0.000 0.000 0.210 4392 L C 2.345 179.224 176.870 0.014 0.000 1.076 4392 L CA 1.868 56.716 54.840 0.014 0.000 0.749 4392 L CB -0.840 41.227 42.059 0.013 0.000 0.893 4392 L HN 0.308 nan 8.230 nan 0.000 0.432 4393 R N -0.967 119.541 120.500 0.013 0.000 2.105 4393 R HA -0.151 4.189 4.340 0.000 0.000 0.239 4393 R C 2.045 178.354 176.300 0.014 0.000 1.135 4393 R CA 1.793 57.901 56.100 0.013 0.000 0.967 4393 R CB -0.299 30.008 30.300 0.012 0.000 0.861 4393 R HN 0.395 nan 8.270 nan 0.000 0.442 4394 V N 1.441 121.363 119.914 0.014 0.000 2.255 4394 V HA -0.275 3.845 4.120 0.000 0.000 0.247 4394 V C 2.286 178.388 176.094 0.014 0.000 1.051 4394 V CA 1.876 64.184 62.300 0.013 0.000 1.018 4394 V CB -0.358 31.473 31.823 0.013 0.000 0.641 4394 V HN 0.292 nan 8.190 nan 0.000 0.445 4395 K N -0.389 120.020 120.400 0.015 0.000 2.167 4395 K HA -0.009 4.311 4.320 0.000 0.000 0.203 4395 K C 2.177 178.790 176.600 0.023 0.000 1.052 4395 K CA 1.295 57.591 56.287 0.016 0.000 0.956 4395 K CB -0.658 31.851 32.500 0.015 0.000 0.735 4395 K HN 0.494 nan 8.250 nan 0.000 0.451 4396 T N 1.374 115.942 114.554 0.023 0.000 2.812 4396 T HA -0.133 4.217 4.350 0.000 0.000 0.264 4396 T C 1.912 176.630 174.700 0.031 0.000 1.042 4396 T CA 1.290 63.406 62.100 0.028 0.000 1.140 4396 T CB -0.034 68.847 68.868 0.022 0.000 0.870 4396 T HN 0.122 nan 8.240 nan 0.000 0.445 4397 Q N 1.322 121.137 119.800 0.025 0.000 2.123 4397 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 4397 Q C 2.248 178.264 176.000 0.028 0.000 0.966 4397 Q CA 1.522 57.340 55.803 0.025 0.000 0.845 4397 Q CB -0.669 28.081 28.738 0.019 0.000 0.907 4397 Q HN 0.471 nan 8.270 nan 0.000 0.439 4398 A N 0.523 123.357 122.820 0.024 0.000 1.883 4398 A HA -0.156 4.164 4.320 0.000 0.000 0.217 4398 A C 1.939 179.541 177.584 0.030 0.000 1.186 4398 A CA 1.593 53.642 52.037 0.020 0.000 0.624 4398 A CB -0.680 18.327 19.000 0.011 0.000 0.822 4398 A HN 0.444 nan 8.150 nan 0.000 0.444 4399 I N -0.370 120.227 120.570 0.044 0.000 2.252 4399 I HA -0.178 3.992 4.170 0.000 0.000 0.245 4399 I C 2.661 178.839 176.117 0.101 0.000 1.102 4399 I CA 1.161 62.509 61.300 0.081 0.000 1.385 4399 I CB -1.430 36.632 38.000 0.103 0.000 1.064 4399 I HN 0.361 nan 8.210 nan 0.000 0.414 4400 Q N 0.702 120.546 119.800 0.074 0.000 2.002 4400 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 4400 Q C 2.506 178.546 176.000 0.067 0.000 0.988 4400 Q CA 1.881 57.725 55.803 0.069 0.000 0.843 4400 Q CB -0.549 28.217 28.738 0.047 0.000 0.908 4400 Q HN 0.387 nan 8.270 nan 0.000 0.420 4401 S N 0.822 116.553 115.700 0.051 0.000 2.356 4401 S HA -0.132 4.338 4.470 0.000 0.000 0.223 4401 S C 1.945 176.576 174.600 0.052 0.000 1.032 4401 S CA 1.151 59.378 58.200 0.044 0.000 1.005 4401 S CB -0.277 62.941 63.200 0.031 0.000 0.867 4401 S HN 0.517 nan 8.310 nan 0.000 0.449 4402 A N 1.400 124.252 122.820 0.054 0.000 1.873 4402 A HA 0.163 4.483 4.320 0.000 0.000 0.215 4402 A C 2.332 179.973 177.584 0.095 0.000 1.186 4402 A CA 1.711 53.778 52.037 0.051 0.000 0.616 4402 A CB -1.074 17.940 19.000 0.023 0.000 0.823 4402 A HN 0.515 nan 8.150 nan 0.000 0.442 4403 A N -0.692 122.220 122.820 0.154 0.000 1.898 4403 A HA -0.026 4.294 4.320 0.000 0.000 0.214 4403 A C 1.961 179.675 177.584 0.216 0.000 1.183 4403 A CA 1.913 54.123 52.037 0.288 0.000 0.622 4403 A CB -0.395 18.873 19.000 0.446 0.000 0.824 4403 A HN 0.489 nan 8.150 nan 0.000 0.444 4404 E N 0.069 120.352 120.200 0.139 0.000 2.150 4404 E HA -0.112 4.238 4.350 0.000 0.000 0.193 4404 E C 2.134 178.779 176.600 0.074 0.000 0.985 4404 E CA 1.356 57.814 56.400 0.096 0.000 0.814 4404 E CB -0.328 29.413 29.700 0.069 0.000 0.752 4404 E HN 0.459 nan 8.360 nan 0.000 0.466 4405 S N -1.303 114.438 115.700 0.068 0.000 2.368 4405 S HA -0.131 4.339 4.470 0.000 0.000 0.224 4405 S C 1.898 176.523 174.600 0.041 0.000 1.029 4405 S CA 1.761 59.989 58.200 0.047 0.000 0.988 4405 S CB -0.541 62.682 63.200 0.039 0.000 0.838 4405 S HN 0.421 nan 8.310 nan 0.000 0.462 4406 T N 1.833 116.425 114.554 0.063 0.000 2.674 4406 T HA -0.082 4.268 4.350 0.000 0.000 0.265 4406 T C 1.841 176.543 174.700 0.003 0.000 1.039 4406 T CA 1.402 63.525 62.100 0.039 0.000 1.150 4406 T CB -0.491 68.446 68.868 0.115 0.000 0.864 4406 T HN 0.426 nan 8.240 nan 0.000 0.427 4407 E N 0.797 121.038 120.200 0.068 0.000 2.153 4407 E HA -0.122 4.228 4.350 0.000 0.000 0.194 4407 E C 2.117 178.727 176.600 0.017 0.000 0.988 4407 E CA 0.827 57.256 56.400 0.047 0.000 0.811 4407 E CB -0.237 29.528 29.700 0.108 0.000 0.746 4407 E HN 0.502 nan 8.360 nan 0.000 0.466 4408 M N -0.173 119.442 119.600 0.024 0.000 2.077 4408 M HA -0.177 4.303 4.480 0.000 0.000 0.261 4408 M C 1.879 178.180 176.300 0.001 0.000 1.070 4408 M CA 1.059 56.368 55.300 0.016 0.000 1.125 4408 M CB 0.009 32.622 32.600 0.022 0.000 1.339 4408 M HN 0.097 nan 8.290 nan 0.000 0.409 4409 L N 0.758 121.977 121.223 -0.005 0.000 2.201 4409 L HA -0.103 4.237 4.340 0.000 0.000 0.212 4409 L C 2.149 178.998 176.870 -0.035 0.000 1.105 4409 L CA 1.496 56.328 54.840 -0.013 0.000 0.775 4409 L CB -1.067 40.984 42.059 -0.014 0.000 0.913 4409 L HN 0.388 nan 8.230 nan 0.000 0.440 4410 L N -1.268 119.917 121.223 -0.063 0.000 2.265 4410 L HA -0.190 4.150 4.340 0.000 0.000 0.215 4410 L C 2.500 179.339 176.870 -0.053 0.000 1.117 4410 L CA 0.846 55.632 54.840 -0.091 0.000 0.782 4410 L CB -0.360 41.606 42.059 -0.155 0.000 0.914 4410 L HN 0.233 nan 8.230 nan 0.000 0.441 4411 R N -0.369 120.115 120.500 -0.026 0.000 2.153 4411 R HA 0.013 4.353 4.340 0.000 0.000 0.218 4411 R C 0.181 176.479 176.300 -0.005 0.000 1.072 4411 R CA 0.370 56.466 56.100 -0.007 0.000 0.990 4411 R CB -0.050 30.253 30.300 0.004 0.000 0.889 4411 R HN 0.123 nan 8.270 nan 0.000 0.452 4412 I N 1.421 121.987 120.570 -0.006 0.000 2.396 4412 I HA -0.035 4.135 4.170 0.000 0.000 0.289 4412 I C 0.469 176.585 176.117 -0.001 0.000 1.056 4412 I CA 0.507 61.808 61.300 0.002 0.000 1.365 4412 I CB 1.159 39.164 38.000 0.009 0.000 1.407 4412 I HN -0.102 nan 8.210 nan 0.000 0.509 4413 D N 3.543 123.945 120.400 0.003 0.000 2.535 4413 D HA 0.138 4.778 4.640 0.000 0.000 0.229 4413 D C -0.911 175.399 176.300 0.015 0.000 1.238 4413 D CA 0.144 54.145 54.000 0.003 0.000 0.824 4413 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 4413 D HN 0.446 nan 8.370 nan 0.000 0.500 4414 D N -0.257 120.154 120.400 0.019 0.000 2.931 4414 D HA 0.207 4.847 4.640 0.000 0.000 0.215 4414 D C -1.480 174.831 176.300 0.017 0.000 1.297 4414 D CA -0.438 53.575 54.000 0.021 0.000 0.892 4414 D CB 1.884 42.692 40.800 0.014 0.000 1.642 4414 D HN -0.256 nan 8.370 nan 0.000 0.560 4415 V N 4.984 124.909 119.914 0.019 0.000 2.378 4415 V HA 0.526 4.646 4.120 0.000 0.000 0.288 4415 V C 0.139 176.226 176.094 -0.011 0.000 1.016 4415 V CA -0.546 61.753 62.300 -0.002 0.000 0.840 4415 V CB 1.369 33.184 31.823 -0.013 0.000 0.994 4415 V HN 0.489 nan 8.190 nan 0.000 0.431 4416 I N 4.518 125.077 120.570 -0.018 0.000 2.411 4416 I HA 0.688 4.858 4.170 0.000 0.000 0.284 4416 I C 0.238 176.339 176.117 -0.027 0.000 1.012 4416 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 4416 I CB 1.745 39.738 38.000 -0.011 0.000 1.261 4416 I HN 0.647 nan 8.210 nan 0.000 0.448 4417 A N 5.119 127.920 122.820 -0.032 0.000 2.304 4417 A HA 0.861 5.181 4.320 0.000 0.000 0.323 4417 A C 0.162 177.731 177.584 -0.024 0.000 1.195 4417 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 4417 A CB 1.066 20.036 19.000 -0.049 0.000 1.184 4417 A HN 0.775 nan 8.150 nan 0.000 0.496 4418 A N 2.397 125.204 122.820 -0.020 0.000 2.386 4418 A HA 0.475 4.795 4.320 0.000 0.000 0.248 4418 A C 0.455 178.030 177.584 -0.015 0.000 1.082 4418 A CA -0.195 51.833 52.037 -0.015 0.000 0.789 4418 A CB 0.009 19.002 19.000 -0.012 0.000 1.025 4418 A HN 0.875 nan 8.150 nan 0.000 0.490 4419 E N 0.000 120.193 120.200 -0.012 0.000 2.725 4419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4419 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 4419 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 4419 E HN 0.000 nan 8.360 nan 0.000 0.440