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_G DATA FIRST_RESID 2947 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 2947 V HA 0.000 nan 4.120 nan 0.000 0.244 2947 V C 0.000 176.086 176.094 -0.014 0.000 1.182 2947 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 2947 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 2948 L N 2.893 124.106 121.223 -0.017 0.000 2.307 2948 L HA 0.564 4.904 4.340 0.000 0.000 0.282 2948 L C -2.217 174.641 176.870 -0.020 0.000 1.051 2948 L CA -1.512 53.316 54.840 -0.020 0.000 0.804 2948 L CB 0.748 42.792 42.059 -0.025 0.000 1.197 2948 L HN 0.164 nan 8.230 nan 0.000 0.431 2949 P HA 0.101 nan 4.420 nan 0.000 0.268 2949 P C -0.738 176.549 177.300 -0.021 0.000 1.204 2949 P CA -0.234 62.856 63.100 -0.017 0.000 0.768 2949 P CB 0.445 32.136 31.700 -0.015 0.000 0.842 2950 E N 2.206 122.395 120.200 -0.019 0.000 2.360 2950 E HA 0.049 4.399 4.350 0.000 0.000 0.269 2950 E C 0.565 177.154 176.600 -0.018 0.000 1.022 2950 E CA 0.124 56.511 56.400 -0.021 0.000 0.887 2950 E CB 0.290 29.980 29.700 -0.018 0.000 0.990 2950 E HN 0.514 nan 8.360 nan 0.000 0.426 2951 N N 1.048 119.736 118.700 -0.019 0.000 2.993 2951 N HA -0.147 4.593 4.740 0.000 0.000 0.171 2951 N C -0.739 174.765 175.510 -0.010 0.000 1.446 2951 N CA 0.703 53.747 53.050 -0.011 0.000 1.542 2951 N CB -0.481 38.002 38.487 -0.007 0.000 1.042 2951 N HN 0.321 nan 8.380 nan 0.000 0.638 2952 M N 1.522 121.112 119.600 -0.016 0.000 2.250 2952 M HA 0.298 4.778 4.480 0.000 0.000 0.344 2952 M C -0.001 176.279 176.300 -0.032 0.000 1.150 2952 M CA 0.334 55.625 55.300 -0.015 0.000 1.147 2952 M CB 0.906 33.496 32.600 -0.018 0.000 1.498 2952 M HN 0.044 nan 8.290 nan 0.000 0.461 2953 K N 1.893 122.282 120.400 -0.018 0.000 2.244 2953 K HA 0.584 4.904 4.320 0.000 0.000 0.260 2953 K C -0.499 176.051 176.600 -0.083 0.000 0.951 2953 K CA -0.636 55.608 56.287 -0.072 0.000 0.826 2953 K CB 2.406 34.932 32.500 0.044 0.000 1.108 2953 K HN 0.529 nan 8.250 nan 0.000 0.433 2954 R N 3.123 123.472 120.500 -0.251 0.000 2.532 2954 R HA 0.321 4.661 4.340 0.000 0.000 0.297 2954 R C -1.605 174.493 176.300 -0.336 0.000 0.984 2954 R CA -0.511 55.490 56.100 -0.164 0.000 0.884 2954 R CB 0.883 31.131 30.300 -0.087 0.000 1.182 2954 R HN 0.549 nan 8.270 nan 0.000 0.442 2955 Y N 3.286 123.589 120.300 0.006 0.000 2.562 2955 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 2955 Y C 0.231 176.131 175.900 0.001 0.000 1.025 2955 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 2955 Y CB 2.437 40.902 38.460 0.008 0.000 1.264 2955 Y HN 0.307 nan 8.280 nan 0.000 0.478 2956 M N 0.543 120.234 119.600 0.152 0.000 2.593 2956 M HA 0.584 5.064 4.480 0.000 0.000 0.290 2956 M C 0.458 176.794 176.300 0.059 0.000 1.244 2956 M CA -0.334 55.012 55.300 0.076 0.000 0.857 2956 M CB 2.472 35.096 32.600 0.039 0.000 1.738 2956 M HN 0.889 nan 8.290 nan 0.000 0.461 2957 G N 2.016 110.832 108.800 0.026 0.000 2.556 2957 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 2957 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 2957 G C 0.506 175.400 174.900 -0.010 0.000 1.177 2957 G CA 0.793 45.893 45.100 -0.001 0.000 0.978 2957 G HN 0.988 nan 8.290 nan 0.000 0.554 2958 R N 0.511 121.003 120.500 -0.014 0.000 2.237 2958 R HA 0.064 4.404 4.340 0.000 0.000 0.219 2958 R C 1.553 177.840 176.300 -0.021 0.000 1.080 2958 R CA 2.066 58.151 56.100 -0.025 0.000 0.995 2958 R CB -0.268 30.017 30.300 -0.024 0.000 0.875 2958 R HN 0.495 nan 8.270 nan 0.000 0.462 2959 D N 1.434 121.842 120.400 0.013 0.000 2.183 2959 D HA 0.007 4.647 4.640 0.000 0.000 0.205 2959 D C 1.960 178.248 176.300 -0.020 0.000 0.962 2959 D CA 1.349 55.357 54.000 0.013 0.000 0.849 2959 D CB -0.011 40.885 40.800 0.160 0.000 0.978 2959 D HN 0.391 nan 8.370 nan 0.000 0.488 2960 A N 1.158 124.018 122.820 0.067 0.000 1.902 2960 A HA -0.183 4.137 4.320 0.000 0.000 0.217 2960 A C 2.141 179.723 177.584 -0.003 0.000 1.181 2960 A CA 1.201 53.282 52.037 0.073 0.000 0.623 2960 A CB -0.285 18.762 19.000 0.080 0.000 0.818 2960 A HN 0.052 nan 8.150 nan 0.000 0.443 2961 Q N -0.722 119.061 119.800 -0.027 0.000 2.123 2961 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 2961 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 2961 Q CA 1.450 57.223 55.803 -0.050 0.000 0.845 2961 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 2961 Q HN 0.769 nan 8.270 nan 0.000 0.439 2962 R N -0.098 120.346 120.500 -0.094 0.000 2.070 2962 R HA -0.081 4.259 4.340 0.000 0.000 0.233 2962 R C 2.167 178.372 176.300 -0.158 0.000 1.137 2962 R CA 1.304 57.334 56.100 -0.117 0.000 0.945 2962 R CB 0.029 30.260 30.300 -0.115 0.000 0.845 2962 R HN 0.132 nan 8.270 nan 0.000 0.430 2963 M N 0.819 120.289 119.600 -0.217 0.000 2.132 2963 M HA -0.105 4.375 4.480 0.000 0.000 0.263 2963 M C 1.733 177.908 176.300 -0.208 0.000 1.065 2963 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 2963 M CB -1.136 31.209 32.600 -0.426 0.000 1.365 2963 M HN 0.165 nan 8.290 nan 0.000 0.411 2964 N N 0.661 119.281 118.700 -0.133 0.000 2.216 2964 N HA 0.002 4.742 4.740 0.000 0.000 0.183 2964 N C 1.850 177.221 175.510 -0.232 0.000 1.017 2964 N CA 1.102 54.066 53.050 -0.143 0.000 0.861 2964 N CB -0.261 38.270 38.487 0.073 0.000 0.986 2964 N HN 0.364 nan 8.380 nan 0.000 0.428 2965 I N 0.317 120.799 120.570 -0.148 0.000 2.252 2965 I HA -0.201 3.969 4.170 0.000 0.000 0.245 2965 I C 1.661 177.689 176.117 -0.148 0.000 1.102 2965 I CA 0.549 61.773 61.300 -0.126 0.000 1.385 2965 I CB -0.093 37.850 38.000 -0.096 0.000 1.064 2965 I HN 0.020 nan 8.210 nan 0.000 0.414 2966 L N 0.855 121.981 121.223 -0.162 0.000 2.127 2966 L HA -0.194 4.146 4.340 0.000 0.000 0.211 2966 L C 2.679 179.449 176.870 -0.166 0.000 1.089 2966 L CA 1.981 56.735 54.840 -0.144 0.000 0.757 2966 L CB -1.247 40.729 42.059 -0.137 0.000 0.899 2966 L HN 0.212 nan 8.230 nan 0.000 0.434 2967 A N -0.667 121.992 122.820 -0.268 0.000 1.908 2967 A HA -0.139 4.181 4.320 0.000 0.000 0.218 2967 A C 2.435 179.918 177.584 -0.168 0.000 1.181 2967 A CA 1.790 53.653 52.037 -0.290 0.000 0.627 2967 A CB -1.290 17.301 19.000 -0.682 0.000 0.818 2967 A HN 0.441 nan 8.150 nan 0.000 0.445 2968 G N -0.941 107.766 108.800 -0.154 0.000 2.402 2968 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 2968 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 2968 G C 1.727 176.588 174.900 -0.064 0.000 1.162 2968 G CA 0.860 45.912 45.100 -0.081 0.000 0.777 2968 G HN 0.450 nan 8.290 nan 0.000 0.539 2969 R N 0.503 120.959 120.500 -0.074 0.000 2.105 2969 R HA -0.026 4.314 4.340 0.000 0.000 0.239 2969 R C 2.511 178.780 176.300 -0.052 0.000 1.135 2969 R CA 1.125 57.190 56.100 -0.058 0.000 0.967 2969 R CB -0.477 29.787 30.300 -0.060 0.000 0.861 2969 R HN 0.456 nan 8.270 nan 0.000 0.442 2970 I N 0.813 121.347 120.570 -0.059 0.000 2.226 2970 I HA -0.308 3.862 4.170 0.000 0.000 0.245 2970 I C 2.215 178.312 176.117 -0.035 0.000 1.100 2970 I CA 0.847 62.119 61.300 -0.046 0.000 1.374 2970 I CB -0.230 37.740 38.000 -0.050 0.000 1.057 2970 I HN 0.114 nan 8.210 nan 0.000 0.413 2971 I N 1.028 121.577 120.570 -0.034 0.000 2.226 2971 I HA -0.255 3.915 4.170 0.000 0.000 0.245 2971 I C 2.850 178.954 176.117 -0.022 0.000 1.100 2971 I CA 1.691 62.977 61.300 -0.023 0.000 1.374 2971 I CB -1.559 36.431 38.000 -0.018 0.000 1.057 2971 I HN 0.184 nan 8.210 nan 0.000 0.413 2972 A N 0.451 123.255 122.820 -0.027 0.000 1.902 2972 A HA -0.197 4.123 4.320 0.000 0.000 0.217 2972 A C 2.231 179.799 177.584 -0.027 0.000 1.181 2972 A CA 1.443 53.464 52.037 -0.027 0.000 0.623 2972 A CB -0.608 18.373 19.000 -0.031 0.000 0.818 2972 A HN 0.470 nan 8.150 nan 0.000 0.443 2973 E N -0.897 119.286 120.200 -0.028 0.000 2.204 2973 E HA -0.106 4.244 4.350 0.000 0.000 0.194 2973 E C 1.946 178.533 176.600 -0.023 0.000 0.989 2973 E CA 1.398 57.782 56.400 -0.027 0.000 0.824 2973 E CB -0.185 29.498 29.700 -0.028 0.000 0.756 2973 E HN 0.629 nan 8.360 nan 0.000 0.477 2974 T N 0.693 115.234 114.554 -0.021 0.000 2.698 2974 T HA -0.113 4.237 4.350 0.000 0.000 0.260 2974 T C 2.174 176.864 174.700 -0.016 0.000 1.044 2974 T CA 1.545 63.635 62.100 -0.017 0.000 1.149 2974 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 2974 T HN 0.190 nan 8.240 nan 0.000 0.419 2975 V N 2.136 122.040 119.914 -0.016 0.000 3.129 2975 V HA 0.031 4.151 4.120 0.000 0.000 0.259 2975 V C 2.320 178.403 176.094 -0.019 0.000 1.116 2975 V CA 1.081 63.372 62.300 -0.015 0.000 1.127 2975 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 2975 V HN 0.478 nan 8.190 nan 0.000 0.474 2976 R N 2.772 123.259 120.500 -0.022 0.000 2.249 2976 R HA -0.134 4.206 4.340 0.000 0.000 0.230 2976 R C 2.015 178.299 176.300 -0.027 0.000 1.121 2976 R CA 1.779 57.863 56.100 -0.026 0.000 0.997 2976 R CB -1.208 29.074 30.300 -0.029 0.000 0.867 2976 R HN 0.706 nan 8.270 nan 0.000 0.465 2977 S N 0.294 115.979 115.700 -0.024 0.000 2.515 2977 S HA -0.084 4.386 4.470 0.000 0.000 0.231 2977 S C 1.733 176.318 174.600 -0.025 0.000 0.987 2977 S CA 0.865 59.050 58.200 -0.024 0.000 0.936 2977 S CB -0.057 63.131 63.200 -0.020 0.000 0.766 2977 S HN 0.588 nan 8.310 nan 0.000 0.528 2978 T N -0.685 113.855 114.554 -0.023 0.000 3.044 2978 T HA 0.390 4.740 4.350 0.000 0.000 0.250 2978 T C 0.513 175.197 174.700 -0.027 0.000 1.081 2978 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 2978 T CB -0.501 68.359 68.868 -0.014 0.000 0.962 2978 T HN 0.301 nan 8.240 nan 0.000 0.506 2979 L N 2.221 123.425 121.223 -0.032 0.000 2.456 2979 L HA 0.503 4.843 4.340 0.000 0.000 0.272 2979 L C 1.195 178.034 176.870 -0.051 0.000 1.189 2979 L CA 0.944 55.762 54.840 -0.036 0.000 0.846 2979 L CB -0.159 41.878 42.059 -0.037 0.000 1.111 2979 L HN 0.670 nan 8.230 nan 0.000 0.475 2980 G N 3.184 111.954 108.800 -0.050 0.000 2.663 2980 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 2980 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 2980 G C -2.403 172.439 174.900 -0.095 0.000 1.246 2980 G CA -0.729 44.326 45.100 -0.076 0.000 0.795 2980 G HN 0.471 nan 8.290 nan 0.000 0.627 2981 P HA -0.009 nan 4.420 nan 0.000 0.218 2981 P C 1.256 178.367 177.300 -0.315 0.000 1.148 2981 P CA 1.294 64.287 63.100 -0.178 0.000 0.822 2981 P CB 0.159 31.708 31.700 -0.251 0.000 0.784 2982 K N -0.329 119.845 120.400 -0.378 0.000 2.576 2982 K HA 0.293 4.613 4.320 0.000 0.000 0.209 2982 K C 0.957 177.470 176.600 -0.145 0.000 1.049 2982 K CA -0.126 55.993 56.287 -0.281 0.000 1.140 2982 K CB -0.023 32.276 32.500 -0.335 0.000 0.871 2982 K HN 0.057 nan 8.250 nan 0.000 0.479 2983 G N 0.845 109.580 108.800 -0.109 0.000 2.634 2983 G HA2 0.238 4.198 3.960 0.000 0.000 0.255 2983 G HA3 0.238 4.198 3.960 0.000 0.000 0.255 2983 G C 0.281 175.154 174.900 -0.046 0.000 1.205 2983 G CA -0.393 44.667 45.100 -0.067 0.000 0.884 2983 G HN -0.027 nan 8.290 nan 0.000 0.549 2984 M N -0.153 119.427 119.600 -0.034 0.000 2.679 2984 M HA 0.441 4.921 4.480 0.000 0.000 0.287 2984 M C -0.589 175.703 176.300 -0.013 0.000 1.202 2984 M CA -0.640 54.647 55.300 -0.022 0.000 0.911 2984 M CB 1.270 33.857 32.600 -0.021 0.000 1.556 2984 M HN 0.344 nan 8.290 nan 0.000 0.511 2985 D N 0.138 120.534 120.400 -0.007 0.000 2.449 2985 D HA 0.600 5.240 4.640 0.000 0.000 0.250 2985 D C -0.699 175.602 176.300 0.001 0.000 1.050 2985 D CA -0.418 53.582 54.000 0.000 0.000 1.024 2985 D CB 1.498 42.302 40.800 0.007 0.000 1.218 2985 D HN 0.263 nan 8.370 nan 0.000 0.566 2986 K N 0.134 120.538 120.400 0.006 0.000 2.385 2986 K HA 0.546 4.866 4.320 0.000 0.000 0.248 2986 K C -0.798 175.811 176.600 0.016 0.000 0.955 2986 K CA -0.815 55.476 56.287 0.007 0.000 0.816 2986 K CB 2.824 35.327 32.500 0.005 0.000 1.250 2986 K HN 0.276 nan 8.250 nan 0.000 0.434 2987 M N 3.497 123.106 119.600 0.015 0.000 2.078 2987 M HA 0.314 4.794 4.480 0.000 0.000 0.320 2987 M C -1.871 174.443 176.300 0.024 0.000 0.969 2987 M CA -0.959 54.356 55.300 0.025 0.000 0.929 2987 M CB 0.578 33.187 32.600 0.014 0.000 1.504 2987 M HN 0.396 nan 8.290 nan 0.000 0.419 2988 L N 5.473 126.715 121.223 0.032 0.000 2.322 2988 L HA 0.625 4.965 4.340 0.000 0.000 0.281 2988 L C -0.881 176.008 176.870 0.032 0.000 1.014 2988 L CA -0.451 54.404 54.840 0.025 0.000 0.815 2988 L CB 2.165 44.235 42.059 0.019 0.000 1.247 2988 L HN 0.434 nan 8.230 nan 0.000 0.421 2989 V N 2.795 122.724 119.914 0.026 0.000 2.378 2989 V HA 0.358 4.478 4.120 0.000 0.000 0.288 2989 V C -0.313 175.792 176.094 0.019 0.000 1.016 2989 V CA -0.974 61.342 62.300 0.028 0.000 0.840 2989 V CB 1.448 33.287 31.823 0.026 0.000 0.994 2989 V HN 0.841 nan 8.190 nan 0.000 0.431 2990 D N 3.486 123.896 120.400 0.017 0.000 2.398 2990 D HA 0.003 4.643 4.640 0.000 0.000 0.264 2990 D C 1.033 177.339 176.300 0.010 0.000 1.263 2990 D CA -0.219 53.788 54.000 0.011 0.000 1.037 2990 D CB 0.470 41.274 40.800 0.007 0.000 1.101 2990 D HN 0.570 nan 8.370 nan 0.000 0.551 2991 D N -0.849 119.555 120.400 0.007 0.000 2.348 2991 D HA -0.122 4.518 4.640 0.000 0.000 0.216 2991 D C 1.660 177.964 176.300 0.006 0.000 0.970 2991 D CA 0.504 54.508 54.000 0.006 0.000 0.889 2991 D CB -0.155 40.648 40.800 0.005 0.000 0.912 2991 D HN 0.381 nan 8.370 nan 0.000 0.524 2992 L N -0.852 120.375 121.223 0.007 0.000 2.554 2992 L HA 0.306 4.646 4.340 0.000 0.000 0.225 2992 L C 1.849 178.725 176.870 0.010 0.000 1.104 2992 L CA 0.541 55.385 54.840 0.006 0.000 0.866 2992 L CB 0.258 42.320 42.059 0.004 0.000 1.047 2992 L HN 0.298 nan 8.230 nan 0.000 0.468 2993 G N -0.368 108.440 108.800 0.013 0.000 2.218 2993 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 2993 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 2993 G C 0.117 175.034 174.900 0.029 0.000 0.994 2993 G CA -0.021 45.090 45.100 0.020 0.000 0.637 2993 G HN 0.313 nan 8.290 nan 0.000 0.505 2994 D N 1.033 121.446 120.400 0.022 0.000 2.455 2994 D HA 0.394 5.034 4.640 0.000 0.000 0.241 2994 D C 0.484 176.811 176.300 0.045 0.000 1.138 2994 D CA 0.270 54.284 54.000 0.024 0.000 0.877 2994 D CB 1.237 42.036 40.800 -0.003 0.000 1.187 2994 D HN 0.272 nan 8.370 nan 0.000 0.451 2995 V N 4.370 124.341 119.914 0.095 0.000 2.398 2995 V HA 0.350 4.470 4.120 0.000 0.000 0.286 2995 V C 0.139 176.325 176.094 0.154 0.000 1.026 2995 V CA -0.807 61.592 62.300 0.164 0.000 0.868 2995 V CB 1.705 33.690 31.823 0.270 0.000 0.982 2995 V HN 0.346 nan 8.190 nan 0.000 0.443 2996 V N 5.484 125.463 119.914 0.109 0.000 2.495 2996 V HA 0.465 4.585 4.120 0.000 0.000 0.298 2996 V C -0.250 175.907 176.094 0.105 0.000 1.031 2996 V CA -0.645 61.697 62.300 0.070 0.000 0.871 2996 V CB 2.144 33.980 31.823 0.022 0.000 0.988 2996 V HN 0.598 nan 8.190 nan 0.000 0.432 2997 V N 4.198 124.184 119.914 0.120 0.000 2.347 2997 V HA 0.689 4.809 4.120 0.000 0.000 0.280 2997 V C 0.141 176.265 176.094 0.051 0.000 1.021 2997 V CA 0.059 62.413 62.300 0.091 0.000 0.847 2997 V CB 1.378 33.270 31.823 0.115 0.000 0.990 2997 V HN 1.004 nan 8.190 nan 0.000 0.444 2998 T N 2.925 117.500 114.554 0.034 0.000 2.821 2998 T HA 0.327 4.677 4.350 0.000 0.000 0.306 2998 T C 0.232 174.941 174.700 0.015 0.000 1.313 2998 T CA -0.416 61.697 62.100 0.022 0.000 1.012 2998 T CB 1.992 70.869 68.868 0.016 0.000 1.298 2998 T HN 0.634 nan 8.240 nan 0.000 0.502 2999 N N 1.039 119.746 118.700 0.011 0.000 2.210 2999 N HA 0.093 4.833 4.740 0.000 0.000 0.203 2999 N C -0.789 174.723 175.510 0.004 0.000 1.175 2999 N CA -0.021 53.033 53.050 0.006 0.000 0.894 2999 N CB 0.494 38.984 38.487 0.006 0.000 1.041 2999 N HN 0.571 nan 8.380 nan 0.000 0.506 3000 D N 0.284 120.688 120.400 0.006 0.000 2.412 3000 D HA 0.148 4.788 4.640 0.000 0.000 0.257 3000 D C 1.386 177.688 176.300 0.003 0.000 1.217 3000 D CA 0.266 54.268 54.000 0.004 0.000 0.897 3000 D CB 1.080 41.883 40.800 0.005 0.000 1.132 3000 D HN 0.304 nan 8.370 nan 0.000 0.493 3001 G N 1.817 110.618 108.800 0.001 0.000 2.421 3001 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 3001 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 3001 G C 1.585 176.485 174.900 0.001 0.000 1.171 3001 G CA 0.362 45.462 45.100 -0.001 0.000 0.775 3001 G HN 0.471 nan 8.290 nan 0.000 0.543 3002 V N 0.853 120.768 119.914 0.002 0.000 2.490 3002 V HA -0.151 3.969 4.120 0.000 0.000 0.250 3002 V C 2.952 179.048 176.094 0.003 0.000 1.061 3002 V CA 2.901 65.203 62.300 0.003 0.000 1.064 3002 V CB -0.626 31.199 31.823 0.004 0.000 0.670 3002 V HN 0.414 nan 8.190 nan 0.000 0.461 3003 T N 0.822 115.378 114.554 0.003 0.000 2.812 3003 T HA -0.053 4.297 4.350 0.000 0.000 0.264 3003 T C 1.848 176.551 174.700 0.004 0.000 1.042 3003 T CA 1.621 63.723 62.100 0.003 0.000 1.140 3003 T CB -0.185 68.685 68.868 0.004 0.000 0.870 3003 T HN 0.331 nan 8.240 nan 0.000 0.445 3004 I N 0.970 121.543 120.570 0.004 0.000 2.179 3004 I HA -0.069 4.101 4.170 0.000 0.000 0.242 3004 I C 2.177 178.296 176.117 0.004 0.000 1.088 3004 I CA 1.222 62.525 61.300 0.004 0.000 1.357 3004 I CB -1.197 36.804 38.000 0.002 0.000 1.051 3004 I HN 0.214 nan 8.210 nan 0.000 0.409 3005 L N 0.172 121.398 121.223 0.004 0.000 2.179 3005 L HA -0.042 4.298 4.340 0.000 0.000 0.208 3005 L C 2.607 179.481 176.870 0.006 0.000 1.096 3005 L CA 1.338 56.181 54.840 0.005 0.000 0.779 3005 L CB -0.965 41.097 42.059 0.004 0.000 0.922 3005 L HN 0.180 nan 8.230 nan 0.000 0.443 3006 R N -0.132 120.371 120.500 0.005 0.000 2.066 3006 R HA -0.118 4.222 4.340 0.000 0.000 0.232 3006 R C 1.936 178.239 176.300 0.005 0.000 1.131 3006 R CA 1.342 57.445 56.100 0.005 0.000 0.955 3006 R CB 0.032 30.334 30.300 0.004 0.000 0.851 3006 R HN 0.355 nan 8.270 nan 0.000 0.432 3007 E N 0.924 121.127 120.200 0.005 0.000 2.076 3007 E HA -0.063 4.287 4.350 0.000 0.000 0.190 3007 E C 1.258 177.862 176.600 0.007 0.000 0.979 3007 E CA 0.514 56.917 56.400 0.006 0.000 0.807 3007 E CB -0.256 29.448 29.700 0.006 0.000 0.761 3007 E HN 0.435 nan 8.360 nan 0.000 0.454 3008 M N -0.097 119.508 119.600 0.007 0.000 2.219 3008 M HA 0.069 4.549 4.480 0.000 0.000 0.307 3008 M C 0.459 176.764 176.300 0.009 0.000 1.116 3008 M CA 0.504 55.809 55.300 0.008 0.000 1.181 3008 M CB 0.547 33.151 32.600 0.007 0.000 1.410 3008 M HN -0.268 nan 8.290 nan 0.000 0.454 3009 S N 2.249 117.955 115.700 0.010 0.000 2.512 3009 S HA 0.467 4.937 4.470 0.000 0.000 0.291 3009 S C -0.756 173.853 174.600 0.015 0.000 1.151 3009 S CA -0.808 57.399 58.200 0.011 0.000 1.120 3009 S CB -0.140 63.066 63.200 0.010 0.000 1.029 3009 S HN 0.530 nan 8.310 nan 0.000 0.485 3010 V N 5.102 125.027 119.914 0.018 0.000 2.607 3010 V HA 0.375 4.495 4.120 0.000 0.000 0.289 3010 V C 0.859 176.973 176.094 0.033 0.000 1.053 3010 V CA -0.307 62.010 62.300 0.028 0.000 0.996 3010 V CB 1.564 33.404 31.823 0.030 0.000 0.995 3010 V HN 0.751 nan 8.190 nan 0.000 0.476 3011 E N 0.950 121.179 120.200 0.049 0.000 2.228 3011 E HA 0.077 4.427 4.350 0.000 0.000 0.197 3011 E C 0.715 177.348 176.600 0.055 0.000 0.909 3011 E CA 0.160 56.586 56.400 0.044 0.000 0.911 3011 E CB -0.047 29.679 29.700 0.043 0.000 0.887 3011 E HN 0.701 nan 8.360 nan 0.000 0.481 3012 H N 2.433 121.504 119.070 0.001 0.000 2.764 3012 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 3012 H C -1.750 173.578 175.328 -0.001 0.000 1.072 3012 H CA -1.490 54.558 56.048 0.001 0.000 1.444 3012 H CB 1.605 31.365 29.762 -0.004 0.000 1.458 3012 H HN -0.209 nan 8.280 nan 0.000 0.572 3013 P HA -0.137 nan 4.420 nan 0.000 0.215 3013 P C 1.043 178.446 177.300 0.172 0.000 1.153 3013 P CA 2.171 65.285 63.100 0.023 0.000 0.853 3013 P CB 0.097 31.743 31.700 -0.089 0.000 0.788 3014 A N -0.124 122.956 122.820 0.433 0.000 1.898 3014 A HA -0.042 4.278 4.320 0.000 0.000 0.216 3014 A C 2.311 179.950 177.584 0.092 0.000 1.181 3014 A CA 1.881 54.043 52.037 0.209 0.000 0.620 3014 A CB -1.552 17.516 19.000 0.114 0.000 0.819 3014 A HN 0.185 nan 8.150 nan 0.000 0.442 3015 A N -0.156 122.724 122.820 0.099 0.000 1.972 3015 A HA -0.130 4.191 4.320 0.000 0.000 0.219 3015 A C 2.053 179.665 177.584 0.046 0.000 1.169 3015 A CA 1.701 53.759 52.037 0.036 0.000 0.635 3015 A CB -0.375 18.641 19.000 0.028 0.000 0.810 3015 A HN 0.540 nan 8.150 nan 0.000 0.446 3016 K N -0.917 119.525 120.400 0.070 0.000 2.211 3016 K HA -0.029 4.291 4.320 0.000 0.000 0.203 3016 K C 1.790 178.411 176.600 0.034 0.000 1.050 3016 K CA 1.106 57.419 56.287 0.044 0.000 0.945 3016 K CB -0.180 32.343 32.500 0.040 0.000 0.732 3016 K HN 0.354 nan 8.250 nan 0.000 0.451 3017 M N 0.233 119.857 119.600 0.039 0.000 2.229 3017 M HA -0.092 4.388 4.480 0.000 0.000 0.264 3017 M C 1.860 178.172 176.300 0.021 0.000 1.063 3017 M CA 1.221 56.538 55.300 0.029 0.000 1.114 3017 M CB -0.656 31.963 32.600 0.031 0.000 1.387 3017 M HN 0.073 nan 8.290 nan 0.000 0.420 3018 L N -0.018 121.215 121.223 0.017 0.000 2.201 3018 L HA -0.061 4.279 4.340 0.000 0.000 0.212 3018 L C 2.255 179.130 176.870 0.010 0.000 1.105 3018 L CA 1.196 56.042 54.840 0.010 0.000 0.775 3018 L CB -0.810 41.250 42.059 0.002 0.000 0.913 3018 L HN 0.214 nan 8.230 nan 0.000 0.440 3019 I N -0.941 119.636 120.570 0.013 0.000 2.226 3019 I HA -0.270 3.900 4.170 0.000 0.000 0.245 3019 I C 2.458 178.581 176.117 0.011 0.000 1.100 3019 I CA 0.998 62.305 61.300 0.011 0.000 1.374 3019 I CB -0.145 37.863 38.000 0.013 0.000 1.057 3019 I HN 0.230 nan 8.210 nan 0.000 0.413 3020 E N 0.866 121.074 120.200 0.014 0.000 2.110 3020 E HA -0.156 4.194 4.350 0.000 0.000 0.193 3020 E C 2.130 178.738 176.600 0.014 0.000 0.988 3020 E CA 1.126 57.534 56.400 0.013 0.000 0.804 3020 E CB -0.088 29.621 29.700 0.015 0.000 0.745 3020 E HN 0.241 nan 8.360 nan 0.000 0.458 3021 V N 0.600 120.523 119.914 0.015 0.000 2.343 3021 V HA -0.268 3.852 4.120 0.000 0.000 0.247 3021 V C 2.320 178.421 176.094 0.012 0.000 1.051 3021 V CA 1.845 64.154 62.300 0.015 0.000 1.036 3021 V CB -0.901 30.931 31.823 0.015 0.000 0.654 3021 V HN 0.443 nan 8.190 nan 0.000 0.451 3022 A N -0.506 122.319 122.820 0.009 0.000 1.930 3022 A HA -0.205 4.115 4.320 0.000 0.000 0.217 3022 A C 2.298 179.887 177.584 0.007 0.000 1.175 3022 A CA 1.758 53.799 52.037 0.007 0.000 0.627 3022 A CB -0.377 18.626 19.000 0.005 0.000 0.815 3022 A HN 0.538 nan 8.150 nan 0.000 0.443 3023 K N -0.575 119.829 120.400 0.008 0.000 2.097 3023 K HA -0.100 4.221 4.320 0.000 0.000 0.205 3023 K C 2.228 178.833 176.600 0.008 0.000 1.050 3023 K CA 1.717 58.008 56.287 0.007 0.000 0.938 3023 K CB -0.309 32.196 32.500 0.008 0.000 0.718 3023 K HN 0.732 nan 8.250 nan 0.000 0.442 3024 T N -1.205 113.355 114.554 0.010 0.000 2.904 3024 T HA -0.140 4.210 4.350 0.000 0.000 0.267 3024 T C 2.000 176.707 174.700 0.011 0.000 1.059 3024 T CA 0.841 62.948 62.100 0.011 0.000 1.137 3024 T CB 0.005 68.881 68.868 0.014 0.000 0.879 3024 T HN 0.012 nan 8.240 nan 0.000 0.467 3025 Q N 1.339 121.146 119.800 0.011 0.000 2.083 3025 Q HA -0.056 4.285 4.340 0.000 0.000 0.198 3025 Q C 2.394 178.399 176.000 0.008 0.000 0.969 3025 Q CA 1.570 57.379 55.803 0.010 0.000 0.838 3025 Q CB -0.414 28.329 28.738 0.009 0.000 0.900 3025 Q HN 0.624 nan 8.270 nan 0.000 0.436 3026 E N 0.543 120.748 120.200 0.007 0.000 2.051 3026 E HA -0.236 4.114 4.350 0.000 0.000 0.192 3026 E C 1.816 178.419 176.600 0.005 0.000 0.991 3026 E CA 1.480 57.883 56.400 0.005 0.000 0.799 3026 E CB -0.137 29.565 29.700 0.004 0.000 0.748 3026 E HN 0.368 nan 8.360 nan 0.000 0.449 3027 K N 0.166 120.569 120.400 0.005 0.000 2.057 3027 K HA -0.203 4.117 4.320 0.000 0.000 0.207 3027 K C 2.181 178.784 176.600 0.005 0.000 1.049 3027 K CA 1.769 58.059 56.287 0.005 0.000 0.931 3027 K CB -0.058 32.446 32.500 0.005 0.000 0.714 3027 K HN -0.066 nan 8.250 nan 0.000 0.440 3028 E N -0.417 119.787 120.200 0.007 0.000 2.086 3028 E HA -0.058 4.292 4.350 0.000 0.000 0.190 3028 E C 1.564 178.168 176.600 0.008 0.000 0.975 3028 E CA 1.107 57.512 56.400 0.008 0.000 0.813 3028 E CB 0.357 30.062 29.700 0.010 0.000 0.768 3028 E HN 0.132 nan 8.360 nan 0.000 0.457 3029 V N -1.591 118.328 119.914 0.008 0.000 2.806 3029 V HA 0.391 4.511 4.120 0.000 0.000 0.239 3029 V C 1.657 177.755 176.094 0.008 0.000 1.113 3029 V CA 0.851 63.156 62.300 0.008 0.000 1.137 3029 V CB 0.395 32.223 31.823 0.010 0.000 0.865 3029 V HN 0.506 nan 8.190 nan 0.000 0.482 3030 G N 0.129 108.933 108.800 0.007 0.000 4.391 3030 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 3030 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 3030 G C 0.143 175.047 174.900 0.007 0.000 1.547 3030 G CA 0.279 45.383 45.100 0.006 0.000 1.103 3030 G HN 0.441 nan 8.290 nan 0.000 0.637 3031 D N 1.706 122.111 120.400 0.008 0.000 2.387 3031 D HA 0.481 5.121 4.640 0.000 0.000 0.251 3031 D C 1.418 177.722 176.300 0.007 0.000 1.141 3031 D CA 1.264 55.270 54.000 0.009 0.000 0.987 3031 D CB 0.808 41.615 40.800 0.011 0.000 1.116 3031 D HN 1.722 nan 8.370 nan 0.000 0.491 3032 G N 0.430 109.233 108.800 0.006 0.000 2.143 3032 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 3032 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 3032 G C 1.010 175.911 174.900 0.001 0.000 0.981 3032 G CA 1.205 46.307 45.100 0.003 0.000 0.665 3032 G HN 0.613 nan 8.290 nan 0.000 0.528 3033 T N -3.142 111.413 114.554 0.002 0.000 2.821 3033 T HA -0.042 4.308 4.350 0.000 0.000 0.267 3033 T C 2.206 176.905 174.700 -0.002 0.000 1.046 3033 T CA 2.431 64.532 62.100 0.002 0.000 1.139 3033 T CB -0.410 68.459 68.868 0.002 0.000 0.871 3033 T HN 0.276 nan 8.240 nan 0.000 0.454 3034 T N 1.896 116.447 114.554 -0.005 0.000 2.812 3034 T HA -0.044 4.306 4.350 0.000 0.000 0.264 3034 T C 2.234 176.926 174.700 -0.014 0.000 1.042 3034 T CA 1.640 63.734 62.100 -0.010 0.000 1.140 3034 T CB -0.844 68.017 68.868 -0.012 0.000 0.870 3034 T HN 0.482 nan 8.240 nan 0.000 0.445 3035 T N 2.181 116.726 114.554 -0.013 0.000 2.684 3035 T HA -0.097 4.253 4.350 0.000 0.000 0.267 3035 T C 2.383 177.072 174.700 -0.018 0.000 1.036 3035 T CA 1.310 63.399 62.100 -0.018 0.000 1.148 3035 T CB -0.546 68.314 68.868 -0.014 0.000 0.863 3035 T HN 0.436 nan 8.240 nan 0.000 0.436 3036 A N 0.742 123.557 122.820 -0.009 0.000 1.902 3036 A HA -0.028 4.292 4.320 0.000 0.000 0.217 3036 A C 2.592 180.173 177.584 -0.006 0.000 1.181 3036 A CA 1.358 53.393 52.037 -0.003 0.000 0.623 3036 A CB -0.895 18.109 19.000 0.006 0.000 0.818 3036 A HN 0.365 nan 8.150 nan 0.000 0.443 3037 V N -0.963 118.947 119.914 -0.007 0.000 2.323 3037 V HA -0.176 3.944 4.120 0.000 0.000 0.244 3037 V C 2.468 178.552 176.094 -0.017 0.000 1.041 3037 V CA 1.788 64.083 62.300 -0.008 0.000 1.025 3037 V CB -0.633 31.186 31.823 -0.007 0.000 0.656 3037 V HN 0.375 nan 8.190 nan 0.000 0.451 3038 V N -0.376 119.525 119.914 -0.023 0.000 2.515 3038 V HA -0.168 3.952 4.120 0.000 0.000 0.250 3038 V C 2.321 178.390 176.094 -0.042 0.000 1.058 3038 V CA 1.933 64.214 62.300 -0.031 0.000 1.064 3038 V CB 0.318 32.121 31.823 -0.033 0.000 0.675 3038 V HN 0.386 nan 8.190 nan 0.000 0.461 3039 V N 0.338 120.223 119.914 -0.048 0.000 2.358 3039 V HA -0.152 3.968 4.120 0.000 0.000 0.246 3039 V C 2.770 178.827 176.094 -0.061 0.000 1.047 3039 V CA 1.887 64.141 62.300 -0.076 0.000 1.035 3039 V CB -1.066 30.704 31.823 -0.088 0.000 0.658 3039 V HN 0.617 nan 8.190 nan 0.000 0.452 3040 A N 0.498 123.301 122.820 -0.027 0.000 1.933 3040 A HA -0.097 4.223 4.320 0.000 0.000 0.218 3040 A C 2.374 179.954 177.584 -0.006 0.000 1.175 3040 A CA 1.998 54.034 52.037 -0.001 0.000 0.628 3040 A CB -1.082 17.923 19.000 0.008 0.000 0.814 3040 A HN 0.530 nan 8.150 nan 0.000 0.444 3041 G N -0.819 107.969 108.800 -0.020 0.000 2.394 3041 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 3041 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 3041 G C 1.463 176.348 174.900 -0.026 0.000 1.165 3041 G CA 1.141 46.225 45.100 -0.026 0.000 0.784 3041 G HN 0.532 nan 8.290 nan 0.000 0.535 3042 E N 0.329 120.511 120.200 -0.030 0.000 2.106 3042 E HA 0.035 4.385 4.350 0.000 0.000 0.192 3042 E C 2.498 179.095 176.600 -0.005 0.000 0.984 3042 E CA 0.473 56.855 56.400 -0.031 0.000 0.806 3042 E CB -0.331 29.337 29.700 -0.054 0.000 0.750 3042 E HN 0.426 nan 8.360 nan 0.000 0.458 3043 L N -0.329 120.900 121.223 0.009 0.000 2.046 3043 L HA -0.176 4.164 4.340 0.000 0.000 0.208 3043 L C 2.130 179.073 176.870 0.122 0.000 1.077 3043 L CA 0.526 55.446 54.840 0.133 0.000 0.747 3043 L CB -0.383 41.771 42.059 0.159 0.000 0.896 3043 L HN 0.229 nan 8.230 nan 0.000 0.432 3044 L N -0.245 120.991 121.223 0.022 0.000 2.083 3044 L HA -0.191 4.149 4.340 0.000 0.000 0.209 3044 L C 2.703 179.557 176.870 -0.027 0.000 1.083 3044 L CA 1.601 56.421 54.840 -0.033 0.000 0.752 3044 L CB -0.802 41.231 42.059 -0.044 0.000 0.899 3044 L HN 0.183 nan 8.230 nan 0.000 0.433 3045 R N -0.652 119.842 120.500 -0.011 0.000 2.073 3045 R HA -0.140 4.200 4.340 0.000 0.000 0.234 3045 R C 2.104 178.408 176.300 0.007 0.000 1.134 3045 R CA 1.150 57.241 56.100 -0.014 0.000 0.952 3045 R CB 0.054 30.343 30.300 -0.018 0.000 0.850 3045 R HN 0.132 nan 8.270 nan 0.000 0.433 3046 K N 0.111 120.537 120.400 0.044 0.000 2.155 3046 K HA 0.009 4.329 4.320 0.000 0.000 0.203 3046 K C 1.907 178.575 176.600 0.112 0.000 1.052 3046 K CA 1.091 57.426 56.287 0.080 0.000 0.948 3046 K CB -0.130 32.433 32.500 0.106 0.000 0.728 3046 K HN 0.258 nan 8.250 nan 0.000 0.448 3047 A N 1.586 124.467 122.820 0.102 0.000 1.930 3047 A HA -0.162 4.158 4.320 0.000 0.000 0.217 3047 A C 2.154 179.719 177.584 -0.033 0.000 1.175 3047 A CA 1.325 53.358 52.037 -0.007 0.000 0.627 3047 A CB -0.236 18.624 19.000 -0.234 0.000 0.815 3047 A HN 0.219 nan 8.150 nan 0.000 0.443 3048 E N -0.114 120.066 120.200 -0.033 0.000 2.106 3048 E HA -0.208 4.142 4.350 0.000 0.000 0.192 3048 E C 1.939 178.527 176.600 -0.021 0.000 0.984 3048 E CA 1.481 57.858 56.400 -0.040 0.000 0.806 3048 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 3048 E HN 0.625 nan 8.360 nan 0.000 0.458 3049 E N 0.491 120.689 120.200 -0.004 0.000 2.153 3049 E HA -0.157 4.193 4.350 0.000 0.000 0.194 3049 E C 2.047 178.655 176.600 0.013 0.000 0.988 3049 E CA 0.597 56.999 56.400 0.004 0.000 0.811 3049 E CB -0.326 29.381 29.700 0.012 0.000 0.746 3049 E HN 0.182 nan 8.360 nan 0.000 0.466 3050 L N -0.131 121.109 121.223 0.027 0.000 2.109 3050 L HA 0.011 4.351 4.340 0.000 0.000 0.207 3050 L C 2.011 178.889 176.870 0.013 0.000 1.086 3050 L CA 1.421 56.284 54.840 0.038 0.000 0.760 3050 L CB -0.319 41.789 42.059 0.082 0.000 0.910 3050 L HN 0.239 nan 8.230 nan 0.000 0.437 3051 L N -0.729 120.488 121.223 -0.010 0.000 2.141 3051 L HA -0.188 4.152 4.340 0.000 0.000 0.209 3051 L C 2.148 179.004 176.870 -0.023 0.000 1.094 3051 L CA 1.427 56.249 54.840 -0.030 0.000 0.763 3051 L CB -0.600 41.427 42.059 -0.053 0.000 0.908 3051 L HN 0.318 nan 8.230 nan 0.000 0.437 3052 D N -0.574 119.816 120.400 -0.017 0.000 2.178 3052 D HA -0.186 4.454 4.640 0.000 0.000 0.202 3052 D C 2.078 178.376 176.300 -0.004 0.000 0.974 3052 D CA 0.857 54.849 54.000 -0.013 0.000 0.841 3052 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 3052 D HN 0.144 nan 8.370 nan 0.000 0.478 3053 Q N 0.189 119.990 119.800 0.002 0.000 2.482 3053 Q HA 0.023 4.363 4.340 0.000 0.000 0.209 3053 Q C -0.032 175.974 176.000 0.010 0.000 0.961 3053 Q CA 0.273 56.080 55.803 0.008 0.000 0.945 3053 Q CB -0.062 28.685 28.738 0.014 0.000 1.012 3053 Q HN 0.360 nan 8.270 nan 0.000 0.515 3054 N N -0.259 118.444 118.700 0.005 0.000 2.780 3054 N HA -0.127 4.613 4.740 0.000 0.000 0.247 3054 N C -1.185 174.339 175.510 0.024 0.000 1.076 3054 N CA 0.351 53.406 53.050 0.008 0.000 0.688 3054 N CB -1.629 36.866 38.487 0.014 0.000 0.957 3054 N HN -0.015 nan 8.380 nan 0.000 0.551 3055 V N 1.661 121.588 119.914 0.021 0.000 2.350 3055 V HA 0.129 4.249 4.120 0.000 0.000 0.276 3055 V C 0.982 177.101 176.094 0.041 0.000 1.028 3055 V CA -0.732 61.594 62.300 0.044 0.000 0.860 3055 V CB 1.437 33.288 31.823 0.046 0.000 0.990 3055 V HN 0.324 nan 8.190 nan 0.000 0.453 3056 H N 8.024 127.097 119.070 0.005 0.000 3.001 3056 H HA 0.036 4.593 4.556 0.000 0.000 0.334 3056 H C -1.697 173.630 175.328 -0.002 0.000 1.034 3056 H CA -1.054 54.995 56.048 0.002 0.000 1.420 3056 H CB 1.687 31.450 29.762 0.002 0.000 1.405 3056 H HN 0.376 nan 8.280 nan 0.000 0.593 3057 P HA -0.173 nan 4.420 nan 0.000 0.218 3057 P C 1.501 178.855 177.300 0.091 0.000 1.146 3057 P CA 1.695 64.736 63.100 -0.099 0.000 0.820 3057 P CB 0.033 31.618 31.700 -0.192 0.000 0.778 3058 T N -1.874 112.901 114.554 0.369 0.000 2.929 3058 T HA -0.097 4.253 4.350 0.000 0.000 0.271 3058 T C 1.505 176.275 174.700 0.116 0.000 1.085 3058 T CA 0.845 63.075 62.100 0.218 0.000 1.125 3058 T CB -0.472 68.483 68.868 0.146 0.000 0.874 3058 T HN -0.147 nan 8.240 nan 0.000 0.494 3059 I N 0.121 120.765 120.570 0.124 0.000 2.385 3059 I HA 0.072 4.242 4.170 0.000 0.000 0.244 3059 I C 2.561 178.730 176.117 0.086 0.000 1.089 3059 I CA 0.651 62.001 61.300 0.083 0.000 1.410 3059 I CB -1.529 36.520 38.000 0.082 0.000 1.117 3059 I HN 0.112 nan 8.210 nan 0.000 0.429 3060 V N 1.081 121.039 119.914 0.074 0.000 2.469 3060 V HA -0.215 3.905 4.120 0.000 0.000 0.251 3060 V C 2.547 178.675 176.094 0.056 0.000 1.064 3060 V CA 1.587 63.931 62.300 0.074 0.000 1.066 3060 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 3060 V HN 0.184 nan 8.190 nan 0.000 0.461 3061 V N -0.083 119.844 119.914 0.022 0.000 2.427 3061 V HA -0.234 3.886 4.120 0.000 0.000 0.248 3061 V C 2.391 178.530 176.094 0.076 0.000 1.051 3061 V CA 2.489 64.806 62.300 0.028 0.000 1.048 3061 V CB -0.680 31.154 31.823 0.018 0.000 0.666 3061 V HN 0.608 nan 8.190 nan 0.000 0.456 3062 K N 0.207 120.649 120.400 0.070 0.000 2.021 3062 K HA -0.068 4.252 4.320 0.000 0.000 0.205 3062 K C 2.191 178.818 176.600 0.044 0.000 1.047 3062 K CA 1.422 57.737 56.287 0.046 0.000 0.943 3062 K CB -0.538 31.979 32.500 0.027 0.000 0.725 3062 K HN 0.439 nan 8.250 nan 0.000 0.439 3063 G N -0.206 108.639 108.800 0.075 0.000 2.408 3063 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 3063 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 3063 G C 1.147 176.038 174.900 -0.015 0.000 1.150 3063 G CA 0.670 45.781 45.100 0.019 0.000 0.776 3063 G HN 0.285 nan 8.290 nan 0.000 0.542 3064 Y N 0.407 120.676 120.300 -0.051 0.000 2.293 3064 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 3064 Y C 2.981 178.779 175.900 -0.170 0.000 1.137 3064 Y CA 1.367 59.432 58.100 -0.058 0.000 1.202 3064 Y CB -0.095 38.428 38.460 0.105 0.000 0.990 3064 Y HN 0.195 nan 8.280 nan 0.000 0.537 3065 Q N 0.368 120.204 119.800 0.060 0.000 2.049 3065 Q HA -0.141 4.199 4.340 0.000 0.000 0.198 3065 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 3065 Q CA 1.494 57.298 55.803 0.003 0.000 0.833 3065 Q CB -0.314 28.440 28.738 0.027 0.000 0.896 3065 Q HN 0.444 nan 8.270 nan 0.000 0.434 3066 A N 0.923 123.694 122.820 -0.082 0.000 1.877 3066 A HA -0.087 4.233 4.320 0.000 0.000 0.216 3066 A C 2.326 179.879 177.584 -0.051 0.000 1.186 3066 A CA 2.178 54.186 52.037 -0.048 0.000 0.620 3066 A CB -0.920 18.026 19.000 -0.090 0.000 0.822 3066 A HN 0.495 nan 8.150 nan 0.000 0.443 3067 A N -0.353 122.285 122.820 -0.302 0.000 1.930 3067 A HA 0.220 4.540 4.320 0.000 0.000 0.217 3067 A C 2.479 179.596 177.584 -0.779 0.000 1.175 3067 A CA 1.946 53.663 52.037 -0.533 0.000 0.627 3067 A CB -0.919 17.508 19.000 -0.956 0.000 0.815 3067 A HN 1.019 nan 8.150 nan 0.000 0.443 3068 A N -0.787 121.507 122.820 -0.876 0.000 1.898 3068 A HA -0.195 4.125 4.320 0.000 0.000 0.216 3068 A C 2.187 179.706 177.584 -0.107 0.000 1.181 3068 A CA 1.738 53.562 52.037 -0.356 0.000 0.620 3068 A CB -0.559 18.383 19.000 -0.097 0.000 0.819 3068 A HN 0.643 nan 8.150 nan 0.000 0.442 3069 Q N -0.699 119.043 119.800 -0.095 0.000 2.119 3069 Q HA -0.225 4.115 4.340 0.000 0.000 0.201 3069 Q C 2.018 177.989 176.000 -0.048 0.000 0.972 3069 Q CA 1.903 57.684 55.803 -0.037 0.000 0.847 3069 Q CB -0.063 28.666 28.738 -0.015 0.000 0.903 3069 Q HN 0.453 nan 8.270 nan 0.000 0.433 3070 K N 0.271 120.627 120.400 -0.073 0.000 2.103 3070 K HA 0.001 4.321 4.320 0.000 0.000 0.204 3070 K C 1.698 178.247 176.600 -0.086 0.000 1.052 3070 K CA 1.302 57.505 56.287 -0.140 0.000 0.945 3070 K CB -0.472 31.855 32.500 -0.287 0.000 0.722 3070 K HN 0.266 nan 8.250 nan 0.000 0.443 3071 A N 0.695 123.495 122.820 -0.033 0.000 1.933 3071 A HA -0.227 4.093 4.320 0.000 0.000 0.218 3071 A C 2.205 179.812 177.584 0.039 0.000 1.175 3071 A CA 1.831 53.900 52.037 0.053 0.000 0.628 3071 A CB -0.636 18.483 19.000 0.199 0.000 0.814 3071 A HN 0.580 nan 8.150 nan 0.000 0.444 3072 Q N -0.343 119.472 119.800 0.025 0.000 2.084 3072 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 3072 Q C 1.897 177.898 176.000 0.001 0.000 0.978 3072 Q CA 1.822 57.636 55.803 0.020 0.000 0.844 3072 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 3072 Q HN 0.788 nan 8.270 nan 0.000 0.426 3073 E N 0.228 120.416 120.200 -0.020 0.000 2.110 3073 E HA -0.168 4.182 4.350 0.000 0.000 0.193 3073 E C 2.144 178.728 176.600 -0.028 0.000 0.988 3073 E CA 1.042 57.423 56.400 -0.031 0.000 0.804 3073 E CB -0.043 29.622 29.700 -0.058 0.000 0.745 3073 E HN 0.393 nan 8.360 nan 0.000 0.458 3074 L N 0.615 121.821 121.223 -0.030 0.000 2.056 3074 L HA -0.188 4.152 4.340 0.000 0.000 0.207 3074 L C 2.434 179.307 176.870 0.004 0.000 1.078 3074 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 3074 L CB -0.345 41.705 42.059 -0.015 0.000 0.901 3074 L HN 0.174 nan 8.230 nan 0.000 0.433 3075 L N -0.378 120.851 121.223 0.011 0.000 2.046 3075 L HA -0.211 4.129 4.340 0.000 0.000 0.208 3075 L C 2.590 179.467 176.870 0.012 0.000 1.077 3075 L CA 1.385 56.235 54.840 0.016 0.000 0.747 3075 L CB -0.432 41.640 42.059 0.021 0.000 0.896 3075 L HN 0.211 nan 8.230 nan 0.000 0.432 3076 K N -0.809 119.595 120.400 0.006 0.000 2.217 3076 K HA -0.080 4.240 4.320 0.000 0.000 0.202 3076 K C 2.057 178.658 176.600 0.001 0.000 1.051 3076 K CA 1.437 57.726 56.287 0.004 0.000 0.952 3076 K CB -0.138 32.362 32.500 -0.000 0.000 0.736 3076 K HN 0.275 nan 8.250 nan 0.000 0.453 3077 T N 2.058 116.611 114.554 -0.002 0.000 2.737 3077 T HA -0.076 4.274 4.350 0.000 0.000 0.265 3077 T C 1.898 176.601 174.700 0.005 0.000 1.038 3077 T CA 1.314 63.413 62.100 -0.003 0.000 1.144 3077 T CB -0.147 68.715 68.868 -0.010 0.000 0.866 3077 T HN 0.376 nan 8.240 nan 0.000 0.434 3078 I N -0.028 120.550 120.570 0.014 0.000 3.251 3078 I HA 0.395 4.565 4.170 0.000 0.000 0.277 3078 I C 1.114 177.242 176.117 0.018 0.000 1.268 3078 I CA -0.447 60.866 61.300 0.022 0.000 1.449 3078 I CB -0.556 37.469 38.000 0.042 0.000 1.083 3078 I HN -0.041 nan 8.210 nan 0.000 0.464 3079 A N 1.575 124.404 122.820 0.014 0.000 2.566 3079 A HA 0.123 4.443 4.320 0.000 0.000 0.245 3079 A C 0.112 177.702 177.584 0.010 0.000 1.056 3079 A CA -0.004 52.041 52.037 0.013 0.000 0.757 3079 A CB -0.301 18.705 19.000 0.010 0.000 0.979 3079 A HN 0.639 nan 8.150 nan 0.000 0.508 3080 C N 3.472 122.778 119.300 0.011 0.000 2.295 3080 C HA 0.481 4.941 4.460 0.000 0.000 0.331 3080 C C 0.524 175.518 174.990 0.007 0.000 1.280 3080 C CA -0.652 58.371 59.018 0.008 0.000 1.746 3080 C CB -0.294 27.452 27.740 0.009 0.000 2.328 3080 C HN 0.945 nan 8.230 nan 0.000 0.521 3081 E N 3.805 124.007 120.200 0.005 0.000 2.366 3081 E HA 0.424 4.774 4.350 0.000 0.000 0.266 3081 E C -0.257 176.345 176.600 0.004 0.000 1.015 3081 E CA -0.024 56.379 56.400 0.004 0.000 0.906 3081 E CB 0.726 30.428 29.700 0.003 0.000 0.979 3081 E HN 0.716 nan 8.360 nan 0.000 0.443 3082 V N 1.050 120.967 119.914 0.005 0.000 3.102 3082 V HA 0.718 4.838 4.120 0.000 0.000 0.312 3082 V C 0.364 176.460 176.094 0.004 0.000 1.135 3082 V CA -0.687 61.615 62.300 0.004 0.000 1.022 3082 V CB 1.505 33.332 31.823 0.005 0.000 1.056 3082 V HN 0.702 nan 8.190 nan 0.000 0.436 3083 G N 0.527 109.329 108.800 0.003 0.000 2.313 3083 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 3083 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 3083 G C 0.989 175.892 174.900 0.004 0.000 1.281 3083 G CA 0.223 45.325 45.100 0.003 0.000 0.917 3083 G HN 1.661 nan 8.290 nan 0.000 0.501 3084 A N 2.539 125.361 122.820 0.004 0.000 1.908 3084 A HA -0.092 4.228 4.320 0.000 0.000 0.218 3084 A C 2.057 179.643 177.584 0.004 0.000 1.181 3084 A CA 1.298 53.337 52.037 0.004 0.000 0.627 3084 A CB -0.068 18.934 19.000 0.004 0.000 0.818 3084 A HN 0.568 nan 8.150 nan 0.000 0.445 3085 Q N -0.316 119.487 119.800 0.004 0.000 2.198 3085 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 3085 Q C -0.733 175.269 176.000 0.004 0.000 0.848 3085 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 3085 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 3085 Q HN 0.745 nan 8.270 nan 0.000 0.494 3086 D N 1.145 121.547 120.400 0.004 0.000 2.389 3086 D HA -0.050 4.590 4.640 0.000 0.000 0.263 3086 D C 1.226 177.528 176.300 0.003 0.000 1.255 3086 D CA 0.144 54.146 54.000 0.003 0.000 0.914 3086 D CB 0.875 41.676 40.800 0.003 0.000 1.116 3086 D HN -0.227 nan 8.370 nan 0.000 0.502 3087 K N 3.629 124.030 120.400 0.003 0.000 2.015 3087 K HA -0.300 4.020 4.320 0.000 0.000 0.220 3087 K C 1.582 178.184 176.600 0.002 0.000 1.055 3087 K CA 2.240 58.529 56.287 0.003 0.000 0.951 3087 K CB -0.300 32.202 32.500 0.002 0.000 0.725 3087 K HN 0.682 nan 8.250 nan 0.000 0.449 3088 E N -0.544 119.657 120.200 0.001 0.000 2.048 3088 E HA -0.243 4.107 4.350 0.000 0.000 0.202 3088 E C 2.029 178.629 176.600 0.001 0.000 1.021 3088 E CA 1.900 58.300 56.400 -0.001 0.000 0.825 3088 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 3088 E HN 0.353 nan 8.360 nan 0.000 0.454 3089 I N 0.359 120.931 120.570 0.002 0.000 2.493 3089 I HA -0.183 3.987 4.170 0.000 0.000 0.254 3089 I C 1.861 177.982 176.117 0.006 0.000 1.160 3089 I CA 0.712 62.015 61.300 0.004 0.000 1.445 3089 I CB 0.001 38.004 38.000 0.005 0.000 1.086 3089 I HN 0.200 nan 8.210 nan 0.000 0.433 3090 L N -0.103 121.123 121.223 0.005 0.000 2.156 3090 L HA -0.094 4.246 4.340 0.000 0.000 0.208 3090 L C 2.631 179.505 176.870 0.006 0.000 1.095 3090 L CA 2.123 56.967 54.840 0.006 0.000 0.770 3090 L CB -1.435 40.628 42.059 0.006 0.000 0.914 3090 L HN 0.448 nan 8.230 nan 0.000 0.439 3091 T N -4.404 110.153 114.554 0.004 0.000 2.942 3091 T HA -0.108 4.242 4.350 0.000 0.000 0.265 3091 T C 1.893 176.594 174.700 0.003 0.000 1.062 3091 T CA 0.621 62.723 62.100 0.003 0.000 1.139 3091 T CB -0.145 68.722 68.868 -0.000 0.000 0.883 3091 T HN 0.185 nan 8.240 nan 0.000 0.468 3092 K N 0.757 121.159 120.400 0.003 0.000 2.097 3092 K HA 0.163 4.483 4.320 0.000 0.000 0.205 3092 K C 2.157 178.765 176.600 0.014 0.000 1.050 3092 K CA 1.105 57.395 56.287 0.005 0.000 0.938 3092 K CB -0.334 32.169 32.500 0.004 0.000 0.718 3092 K HN 0.373 nan 8.250 nan 0.000 0.442 3093 I N 1.032 121.610 120.570 0.014 0.000 2.163 3093 I HA -0.279 3.891 4.170 0.000 0.000 0.240 3093 I C 2.529 178.658 176.117 0.020 0.000 1.081 3093 I CA 1.142 62.453 61.300 0.018 0.000 1.353 3093 I CB -0.392 37.617 38.000 0.014 0.000 1.054 3093 I HN 0.132 nan 8.210 nan 0.000 0.407 3094 A N 0.652 123.481 122.820 0.016 0.000 1.883 3094 A HA -0.250 4.070 4.320 0.000 0.000 0.217 3094 A C 2.380 179.977 177.584 0.021 0.000 1.186 3094 A CA 1.857 53.904 52.037 0.016 0.000 0.624 3094 A CB -0.635 18.372 19.000 0.012 0.000 0.822 3094 A HN 0.339 nan 8.150 nan 0.000 0.444 3095 M N -0.304 119.308 119.600 0.019 0.000 2.086 3095 M HA -0.136 4.344 4.480 0.000 0.000 0.261 3095 M C 2.450 178.778 176.300 0.048 0.000 1.067 3095 M CA 2.095 57.409 55.300 0.023 0.000 1.116 3095 M CB -0.781 31.822 32.600 0.004 0.000 1.348 3095 M HN 0.711 nan 8.290 nan 0.000 0.407 3096 T N -2.694 111.891 114.554 0.052 0.000 2.915 3096 T HA -0.087 4.263 4.350 0.000 0.000 0.269 3096 T C 1.869 176.609 174.700 0.066 0.000 1.071 3096 T CA 1.547 63.694 62.100 0.080 0.000 1.132 3096 T CB -0.448 68.462 68.868 0.069 0.000 0.878 3096 T HN 0.317 nan 8.240 nan 0.000 0.479 3097 S N 1.111 116.838 115.700 0.045 0.000 2.355 3097 S HA 0.014 4.484 4.470 0.000 0.000 0.222 3097 S C 2.007 176.630 174.600 0.038 0.000 1.031 3097 S CA 0.877 59.097 58.200 0.035 0.000 0.993 3097 S CB -0.619 62.596 63.200 0.025 0.000 0.859 3097 S HN 0.598 nan 8.310 nan 0.000 0.453 3098 I N 1.759 122.354 120.570 0.042 0.000 2.361 3098 I HA -0.088 4.082 4.170 0.000 0.000 0.251 3098 I C 1.307 177.459 176.117 0.060 0.000 1.133 3098 I CA 0.875 62.202 61.300 0.044 0.000 1.413 3098 I CB -0.896 37.128 38.000 0.040 0.000 1.073 3098 I HN 0.444 nan 8.210 nan 0.000 0.424 3099 T N -0.623 113.985 114.554 0.089 0.000 2.903 3099 T HA 0.310 4.660 4.350 0.000 0.000 0.314 3099 T C 1.179 175.912 174.700 0.055 0.000 1.078 3099 T CA 0.103 62.277 62.100 0.124 0.000 1.114 3099 T CB 1.251 70.266 68.868 0.245 0.000 0.987 3099 T HN 0.595 nan 8.240 nan 0.000 0.548 3100 G N 1.294 110.109 108.800 0.026 0.000 2.159 3100 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 3100 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 3100 G C -0.077 174.824 174.900 0.002 0.000 0.977 3100 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 3100 G HN 0.946 nan 8.290 nan 0.000 0.531 3101 K N -0.988 119.425 120.400 0.021 0.000 2.395 3101 K HA 0.596 4.916 4.320 0.000 0.000 0.247 3101 K C 1.482 178.099 176.600 0.029 0.000 0.973 3101 K CA -0.608 55.693 56.287 0.022 0.000 0.828 3101 K CB 1.488 34.003 32.500 0.025 0.000 1.272 3101 K HN 0.188 nan 8.250 nan 0.000 0.439 3102 G N 0.623 109.439 108.800 0.027 0.000 2.462 3102 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 3102 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 3102 G C 1.198 176.118 174.900 0.034 0.000 1.121 3102 G CA 1.221 46.339 45.100 0.030 0.000 0.758 3102 G HN 0.624 nan 8.290 nan 0.000 0.559 3103 A N 1.296 124.136 122.820 0.034 0.000 2.168 3103 A HA 0.101 4.421 4.320 0.000 0.000 0.215 3103 A C 2.105 179.713 177.584 0.039 0.000 1.152 3103 A CA 1.481 53.538 52.037 0.033 0.000 0.716 3103 A CB -0.347 18.670 19.000 0.029 0.000 0.794 3103 A HN 0.649 nan 8.150 nan 0.000 0.465 3104 E N 1.495 121.726 120.200 0.051 0.000 2.267 3104 E HA -0.301 4.049 4.350 0.000 0.000 0.197 3104 E C 1.632 178.267 176.600 0.058 0.000 0.998 3104 E CA 1.395 57.836 56.400 0.069 0.000 0.830 3104 E CB -0.562 29.204 29.700 0.111 0.000 0.751 3104 E HN 0.782 nan 8.360 nan 0.000 0.491 3105 K N 0.929 121.358 120.400 0.048 0.000 2.218 3105 K HA -0.108 4.212 4.320 0.000 0.000 0.205 3105 K C 1.314 177.928 176.600 0.024 0.000 1.046 3105 K CA 1.580 57.889 56.287 0.037 0.000 0.933 3105 K CB -0.070 32.449 32.500 0.032 0.000 0.728 3105 K HN 0.164 nan 8.250 nan 0.000 0.454 3106 A N 1.696 124.529 122.820 0.023 0.000 2.674 3106 A HA 0.167 4.487 4.320 0.000 0.000 0.286 3106 A C 1.094 178.687 177.584 0.014 0.000 0.980 3106 A CA -0.678 51.368 52.037 0.015 0.000 1.028 3106 A CB 0.068 19.077 19.000 0.015 0.000 1.199 3106 A HN 0.408 nan 8.150 nan 0.000 0.499 3107 K N -0.132 120.278 120.400 0.016 0.000 2.280 3107 K HA -0.150 4.170 4.320 0.000 0.000 0.202 3107 K C 0.813 177.416 176.600 0.006 0.000 1.047 3107 K CA 1.806 58.103 56.287 0.016 0.000 0.942 3107 K CB -0.026 32.488 32.500 0.025 0.000 0.739 3107 K HN 0.311 nan 8.250 nan 0.000 0.457 3108 E N 1.552 121.750 120.200 -0.003 0.000 2.072 3108 E HA -0.135 4.215 4.350 0.000 0.000 0.190 3108 E C 1.886 178.485 176.600 -0.002 0.000 0.982 3108 E CA 1.235 57.631 56.400 -0.008 0.000 0.803 3108 E CB -0.038 29.653 29.700 -0.015 0.000 0.755 3108 E HN 0.251 nan 8.360 nan 0.000 0.453 3109 K N 0.652 121.053 120.400 0.002 0.000 2.097 3109 K HA -0.030 4.290 4.320 0.000 0.000 0.205 3109 K C 1.764 178.369 176.600 0.008 0.000 1.050 3109 K CA 0.933 57.223 56.287 0.005 0.000 0.938 3109 K CB -0.212 32.292 32.500 0.007 0.000 0.718 3109 K HN 0.084 nan 8.250 nan 0.000 0.442 3110 L N -0.166 121.063 121.223 0.010 0.000 2.056 3110 L HA -0.088 4.252 4.340 0.000 0.000 0.207 3110 L C 2.451 179.327 176.870 0.010 0.000 1.078 3110 L CA 1.205 56.052 54.840 0.012 0.000 0.749 3110 L CB -0.636 41.432 42.059 0.015 0.000 0.901 3110 L HN 0.254 nan 8.230 nan 0.000 0.433 3111 A N -0.157 122.669 122.820 0.009 0.000 1.933 3111 A HA -0.264 4.056 4.320 0.000 0.000 0.218 3111 A C 2.258 179.846 177.584 0.006 0.000 1.175 3111 A CA 1.889 53.930 52.037 0.008 0.000 0.628 3111 A CB -0.501 18.502 19.000 0.005 0.000 0.814 3111 A HN 0.495 nan 8.150 nan 0.000 0.444 3112 E N 0.319 120.522 120.200 0.005 0.000 2.031 3112 E HA -0.203 4.147 4.350 0.000 0.000 0.193 3112 E C 1.937 178.541 176.600 0.007 0.000 0.994 3112 E CA 1.760 58.163 56.400 0.005 0.000 0.800 3112 E CB -0.334 29.369 29.700 0.004 0.000 0.752 3112 E HN 0.773 nan 8.360 nan 0.000 0.447 3113 I N -1.661 118.915 120.570 0.009 0.000 2.676 3113 I HA -0.065 4.105 4.170 0.000 0.000 0.259 3113 I C 1.896 178.020 176.117 0.011 0.000 1.194 3113 I CA 0.511 61.818 61.300 0.011 0.000 1.473 3113 I CB -0.059 37.950 38.000 0.014 0.000 1.096 3113 I HN 0.044 nan 8.210 nan 0.000 0.443 3114 I N 0.837 121.412 120.570 0.010 0.000 2.406 3114 I HA -0.101 4.069 4.170 0.000 0.000 0.249 3114 I C 2.373 178.495 176.117 0.008 0.000 1.122 3114 I CA 1.051 62.357 61.300 0.009 0.000 1.431 3114 I CB -0.144 37.861 38.000 0.009 0.000 1.087 3114 I HN 0.042 nan 8.210 nan 0.000 0.424 3115 V N 0.183 120.101 119.914 0.008 0.000 2.453 3115 V HA -0.157 3.963 4.120 0.000 0.000 0.247 3115 V C 2.388 178.486 176.094 0.007 0.000 1.048 3115 V CA 1.359 63.663 62.300 0.007 0.000 1.049 3115 V CB -0.581 31.245 31.823 0.006 0.000 0.672 3115 V HN 0.359 nan 8.190 nan 0.000 0.457 3116 E N 0.526 120.731 120.200 0.008 0.000 2.106 3116 E HA -0.139 4.211 4.350 0.000 0.000 0.192 3116 E C 2.370 178.976 176.600 0.010 0.000 0.984 3116 E CA 1.372 57.778 56.400 0.009 0.000 0.806 3116 E CB -0.408 29.297 29.700 0.010 0.000 0.750 3116 E HN 0.559 nan 8.360 nan 0.000 0.458 3117 A N 1.089 123.915 122.820 0.009 0.000 1.902 3117 A HA -0.145 4.175 4.320 0.000 0.000 0.217 3117 A C 2.614 180.202 177.584 0.006 0.000 1.181 3117 A CA 1.508 53.550 52.037 0.008 0.000 0.623 3117 A CB -0.661 18.343 19.000 0.007 0.000 0.818 3117 A HN 0.131 nan 8.150 nan 0.000 0.443 3118 V N -0.337 119.581 119.914 0.006 0.000 2.307 3118 V HA -0.193 3.927 4.120 0.000 0.000 0.245 3118 V C 2.759 178.857 176.094 0.007 0.000 1.045 3118 V CA 2.284 64.587 62.300 0.006 0.000 1.024 3118 V CB -0.842 30.984 31.823 0.006 0.000 0.651 3118 V HN 0.545 nan 8.190 nan 0.000 0.449 3119 S N 0.181 115.886 115.700 0.008 0.000 2.399 3119 S HA -0.164 4.306 4.470 0.000 0.000 0.231 3119 S C 2.167 176.774 174.600 0.012 0.000 1.022 3119 S CA 1.352 59.558 58.200 0.009 0.000 0.983 3119 S CB -0.440 62.766 63.200 0.009 0.000 0.803 3119 S HN 0.646 nan 8.310 nan 0.000 0.480 3120 A N 1.173 124.000 122.820 0.012 0.000 1.873 3120 A HA -0.044 4.276 4.320 0.000 0.000 0.215 3120 A C 2.377 179.971 177.584 0.017 0.000 1.186 3120 A CA 1.759 53.806 52.037 0.016 0.000 0.616 3120 A CB -0.734 18.274 19.000 0.014 0.000 0.823 3120 A HN 0.561 nan 8.150 nan 0.000 0.442 3121 V N -3.410 116.511 119.914 0.011 0.000 3.174 3121 V HA 0.051 4.171 4.120 0.000 0.000 0.254 3121 V C 2.049 178.147 176.094 0.008 0.000 1.120 3121 V CA 1.219 63.524 62.300 0.009 0.000 1.114 3121 V CB -0.400 31.425 31.823 0.004 0.000 0.756 3121 V HN 0.192 nan 8.190 nan 0.000 0.467 3122 V N 0.735 120.653 119.914 0.007 0.000 2.626 3122 V HA -0.125 3.995 4.120 0.000 0.000 0.252 3122 V C 1.638 177.735 176.094 0.005 0.000 1.067 3122 V CA 2.549 64.852 62.300 0.005 0.000 1.081 3122 V CB -0.521 31.305 31.823 0.005 0.000 0.686 3122 V HN 0.848 nan 8.190 nan 0.000 0.468 3123 D N -0.732 119.673 120.400 0.008 0.000 4.438 3123 D HA -0.222 4.418 4.640 0.000 0.000 0.158 3123 D C 0.614 176.916 176.300 0.003 0.000 0.686 3123 D CA 1.959 55.962 54.000 0.006 0.000 1.183 3123 D CB -1.283 39.518 40.800 0.001 0.000 0.623 3123 D HN 0.586 nan 8.370 nan 0.000 0.521 3124 D N 1.134 121.533 120.400 -0.001 0.000 2.398 3124 D HA 0.316 4.956 4.640 0.000 0.000 0.247 3124 D C -0.310 175.990 176.300 -0.000 0.000 1.227 3124 D CA 0.211 54.210 54.000 -0.002 0.000 0.980 3124 D CB 0.491 41.288 40.800 -0.005 0.000 1.106 3124 D HN 0.119 nan 8.370 nan 0.000 0.493 3125 E N -0.407 119.793 120.200 -0.000 0.000 2.261 3125 E HA 0.618 4.968 4.350 0.000 0.000 0.239 3125 E C -0.235 176.365 176.600 0.000 0.000 0.991 3125 E CA -0.485 55.916 56.400 0.001 0.000 0.847 3125 E CB 0.970 30.671 29.700 0.001 0.000 1.223 3125 E HN 0.510 nan 8.360 nan 0.000 0.446 3126 G N 1.161 109.961 108.800 0.000 0.000 2.340 3126 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 3126 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 3126 G C -1.719 173.182 174.900 0.001 0.000 1.488 3126 G CA -0.906 44.194 45.100 0.001 0.000 0.878 3126 G HN 0.075 nan 8.290 nan 0.000 0.618 3127 K N 0.621 121.021 120.400 0.001 0.000 2.553 3127 K HA 0.572 4.892 4.320 0.000 0.000 0.250 3127 K C -1.329 175.271 176.600 0.001 0.000 0.953 3127 K CA -0.522 55.766 56.287 0.001 0.000 0.800 3127 K CB 2.152 34.651 32.500 -0.000 0.000 1.243 3127 K HN 0.527 nan 8.250 nan 0.000 0.435 3128 V N 3.290 123.205 119.914 0.002 0.000 2.398 3128 V HA 0.304 4.424 4.120 0.000 0.000 0.286 3128 V C -0.418 175.676 176.094 0.001 0.000 1.026 3128 V CA -0.712 61.589 62.300 0.001 0.000 0.868 3128 V CB 1.550 33.375 31.823 0.003 0.000 0.982 3128 V HN 0.652 nan 8.190 nan 0.000 0.443 3129 D N 3.477 123.877 120.400 -0.001 0.000 2.471 3129 D HA 0.317 4.957 4.640 0.000 0.000 0.245 3129 D C 0.739 177.037 176.300 -0.003 0.000 1.116 3129 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 3129 D CB 1.790 42.588 40.800 -0.004 0.000 1.123 3129 D HN 0.417 nan 8.370 nan 0.000 0.540 3130 K N 1.990 122.388 120.400 -0.003 0.000 2.442 3130 K HA -0.139 4.181 4.320 0.000 0.000 0.198 3130 K C 0.915 177.510 176.600 -0.008 0.000 1.044 3130 K CA 0.756 57.040 56.287 -0.005 0.000 0.948 3130 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 3130 K HN 0.362 nan 8.250 nan 0.000 0.472 3131 D N 0.332 120.726 120.400 -0.009 0.000 2.219 3131 D HA -0.113 4.527 4.640 0.000 0.000 0.205 3131 D C 1.075 177.365 176.300 -0.017 0.000 0.970 3131 D CA 0.708 54.700 54.000 -0.014 0.000 0.851 3131 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 3131 D HN -0.027 nan 8.370 nan 0.000 0.488 3132 L N 0.524 121.738 121.223 -0.014 0.000 2.612 3132 L HA 0.246 4.586 4.340 0.000 0.000 0.230 3132 L C 0.056 176.916 176.870 -0.016 0.000 1.140 3132 L CA 0.470 55.301 54.840 -0.016 0.000 0.896 3132 L CB -0.525 41.528 42.059 -0.010 0.000 1.065 3132 L HN 0.161 nan 8.230 nan 0.000 0.447 3133 I N 0.319 120.880 120.570 -0.015 0.000 2.437 3133 I HA 0.196 4.366 4.170 0.000 0.000 0.279 3133 I C 0.320 176.425 176.117 -0.019 0.000 1.028 3133 I CA -0.351 60.941 61.300 -0.014 0.000 1.142 3133 I CB 1.698 39.693 38.000 -0.007 0.000 1.266 3133 I HN -0.038 nan 8.210 nan 0.000 0.461 3134 K N 6.466 126.850 120.400 -0.027 0.000 2.174 3134 K HA 0.478 4.798 4.320 0.000 0.000 0.275 3134 K C -0.709 175.873 176.600 -0.030 0.000 1.015 3134 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 3134 K CB 1.062 33.530 32.500 -0.053 0.000 1.025 3134 K HN 0.438 nan 8.250 nan 0.000 0.463 3135 I N 4.693 125.246 120.570 -0.029 0.000 2.337 3135 I HA 0.238 4.408 4.170 0.000 0.000 0.285 3135 I C -0.153 175.946 176.117 -0.030 0.000 1.041 3135 I CA -0.405 60.881 61.300 -0.023 0.000 1.199 3135 I CB 0.957 38.947 38.000 -0.016 0.000 1.370 3135 I HN 0.610 nan 8.210 nan 0.000 0.470 3136 E N 6.321 126.502 120.200 -0.031 0.000 2.202 3136 E HA 0.517 4.867 4.350 0.000 0.000 0.272 3136 E C -0.363 176.226 176.600 -0.019 0.000 0.951 3136 E CA -0.644 55.734 56.400 -0.037 0.000 0.813 3136 E CB 2.955 32.618 29.700 -0.062 0.000 1.151 3136 E HN 0.507 nan 8.360 nan 0.000 0.398 3137 K N 0.583 120.972 120.400 -0.018 0.000 2.468 3137 K HA 0.674 4.994 4.320 0.000 0.000 0.252 3137 K C -0.959 175.638 176.600 -0.005 0.000 0.932 3137 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 3137 K CB 2.147 34.639 32.500 -0.014 0.000 1.241 3137 K HN 0.131 nan 8.250 nan 0.000 0.428 3138 K N 1.636 122.041 120.400 0.008 0.000 2.619 3138 K HA 0.187 4.507 4.320 0.000 0.000 0.251 3138 K C -1.087 175.525 176.600 0.020 0.000 0.987 3138 K CA -0.322 55.973 56.287 0.014 0.000 0.844 3138 K CB 1.812 34.328 32.500 0.027 0.000 1.237 3138 K HN 0.835 nan 8.250 nan 0.000 0.447 3139 S N 1.863 117.573 115.700 0.016 0.000 2.576 3139 S HA 0.695 5.165 4.470 0.000 0.000 0.272 3139 S C 0.496 175.111 174.600 0.025 0.000 1.352 3139 S CA 0.326 58.539 58.200 0.022 0.000 1.021 3139 S CB 0.698 63.913 63.200 0.024 0.000 0.887 3139 S HN 1.339 nan 8.310 nan 0.000 0.542 3140 G N -0.110 108.706 108.800 0.026 0.000 2.453 3140 G HA2 0.504 4.464 3.960 0.000 0.000 0.665 3140 G HA3 0.504 4.464 3.960 0.000 0.000 0.665 3140 G C -0.132 174.782 174.900 0.023 0.000 1.411 3140 G CA -0.131 44.983 45.100 0.024 0.000 0.889 3140 G HN 2.322 nan 8.290 nan 0.000 0.651 3141 A N -0.408 122.424 122.820 0.020 0.000 6.088 3141 A HA 0.405 4.725 4.320 0.000 0.000 0.261 3141 A C 1.369 178.964 177.584 0.018 0.000 2.138 3141 A CA 2.038 54.085 52.037 0.017 0.000 0.708 3141 A CB -1.814 17.197 19.000 0.018 0.000 1.068 3141 A HN 2.924 nan 8.150 nan 0.000 0.364 3142 S N -1.508 114.203 115.700 0.017 0.000 2.766 3142 S HA 0.781 5.251 4.470 0.000 0.000 0.307 3142 S C 1.071 175.682 174.600 0.019 0.000 1.121 3142 S CA -0.086 58.125 58.200 0.017 0.000 0.980 3142 S CB 1.089 64.298 63.200 0.014 0.000 1.159 3142 S HN 1.123 nan 8.310 nan 0.000 0.546 3143 I N 0.579 121.161 120.570 0.019 0.000 2.493 3143 I HA -0.093 4.077 4.170 0.000 0.000 0.254 3143 I C 2.166 178.293 176.117 0.017 0.000 1.160 3143 I CA 1.433 62.744 61.300 0.019 0.000 1.445 3143 I CB -0.493 37.519 38.000 0.020 0.000 1.086 3143 I HN 0.780 nan 8.210 nan 0.000 0.433 3144 D N 1.374 121.782 120.400 0.014 0.000 2.182 3144 D HA -0.223 4.417 4.640 0.000 0.000 0.201 3144 D C 1.387 177.694 176.300 0.013 0.000 0.986 3144 D CA 1.380 55.387 54.000 0.012 0.000 0.847 3144 D CB -0.024 40.781 40.800 0.009 0.000 0.942 3144 D HN 0.340 nan 8.370 nan 0.000 0.467 3145 D N -0.883 119.526 120.400 0.015 0.000 2.348 3145 D HA -0.019 4.621 4.640 0.000 0.000 0.216 3145 D C 0.247 176.561 176.300 0.024 0.000 0.970 3145 D CA 0.509 54.519 54.000 0.017 0.000 0.889 3145 D CB -0.069 40.741 40.800 0.017 0.000 0.912 3145 D HN 0.094 nan 8.370 nan 0.000 0.524 3146 T N 1.616 116.185 114.554 0.025 0.000 2.933 3146 T HA 0.099 4.449 4.350 0.000 0.000 0.306 3146 T C 0.271 174.989 174.700 0.031 0.000 1.045 3146 T CA 0.281 62.399 62.100 0.030 0.000 1.143 3146 T CB 0.338 69.220 68.868 0.024 0.000 1.003 3146 T HN 0.312 nan 8.240 nan 0.000 0.540 3147 E N 1.760 121.985 120.200 0.042 0.000 2.408 3147 E HA 0.602 4.952 4.350 0.000 0.000 0.275 3147 E C -1.561 175.070 176.600 0.053 0.000 0.935 3147 E CA -1.175 55.251 56.400 0.044 0.000 0.775 3147 E CB 1.257 30.985 29.700 0.047 0.000 1.277 3147 E HN 0.337 nan 8.360 nan 0.000 0.455 3148 L N 1.964 123.214 121.223 0.044 0.000 2.289 3148 L HA 0.477 4.817 4.340 0.000 0.000 0.285 3148 L C -1.429 175.477 176.870 0.061 0.000 1.049 3148 L CA -0.490 54.376 54.840 0.044 0.000 0.804 3148 L CB 1.062 43.138 42.059 0.028 0.000 1.195 3148 L HN 0.601 nan 8.230 nan 0.000 0.428 3149 I N 5.080 125.694 120.570 0.073 0.000 2.354 3149 I HA 0.290 4.460 4.170 0.000 0.000 0.286 3149 I C 0.205 176.358 176.117 0.060 0.000 1.007 3149 I CA -0.293 61.067 61.300 0.101 0.000 1.167 3149 I CB 1.185 39.290 38.000 0.175 0.000 1.320 3149 I HN 0.522 nan 8.210 nan 0.000 0.458 3150 K N 6.047 126.476 120.400 0.050 0.000 2.054 3150 K HA 0.474 4.794 4.320 0.000 0.000 0.242 3150 K C 0.323 176.941 176.600 0.030 0.000 1.157 3150 K CA 0.258 56.562 56.287 0.030 0.000 1.079 3150 K CB -0.404 32.108 32.500 0.020 0.000 1.331 3150 K HN 0.947 nan 8.250 nan 0.000 0.317 3151 G N 0.572 109.385 108.800 0.022 0.000 2.491 3151 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 3151 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 3151 G C -1.647 173.243 174.900 -0.017 0.000 1.221 3151 G CA -0.646 44.459 45.100 0.010 0.000 0.996 3151 G HN 0.171 nan 8.290 nan 0.000 0.474 3152 V N 0.803 120.692 119.914 -0.041 0.000 2.531 3152 V HA 0.704 4.824 4.120 0.000 0.000 0.301 3152 V C -0.833 175.176 176.094 -0.143 0.000 1.034 3152 V CA -0.595 61.644 62.300 -0.102 0.000 0.865 3152 V CB 1.454 33.185 31.823 -0.153 0.000 0.995 3152 V HN 0.945 nan 8.190 nan 0.000 0.424 3153 L N 7.512 128.614 121.223 -0.201 0.000 2.305 3153 L HA 0.838 5.178 4.340 0.000 0.000 0.284 3153 L C -0.367 176.335 176.870 -0.279 0.000 1.013 3153 L CA -0.174 54.447 54.840 -0.365 0.000 0.819 3153 L CB 1.687 43.432 42.059 -0.522 0.000 1.227 3153 L HN 0.581 nan 8.230 nan 0.000 0.417 3154 V N 1.566 121.329 119.914 -0.252 0.000 2.715 3154 V HA 0.632 4.752 4.120 0.000 0.000 0.310 3154 V C -0.351 175.671 176.094 -0.120 0.000 1.054 3154 V CA -0.516 61.692 62.300 -0.153 0.000 0.928 3154 V CB 1.788 33.547 31.823 -0.106 0.000 1.007 3154 V HN 0.823 nan 8.190 nan 0.000 0.437 3155 D N 1.667 122.021 120.400 -0.076 0.000 3.134 3155 D HA 0.253 4.893 4.640 0.000 0.000 0.248 3155 D C 0.051 176.348 176.300 -0.004 0.000 1.273 3155 D CA -0.185 53.788 54.000 -0.045 0.000 0.904 3155 D CB -0.003 40.774 40.800 -0.039 0.000 1.089 3155 D HN 0.504 nan 8.370 nan 0.000 0.478 3156 K N 0.715 121.127 120.400 0.021 0.000 2.306 3156 K HA 0.412 4.732 4.320 0.000 0.000 0.236 3156 K C 0.526 177.158 176.600 0.053 0.000 1.013 3156 K CA -0.650 55.669 56.287 0.054 0.000 0.857 3156 K CB 2.336 34.905 32.500 0.114 0.000 1.214 3156 K HN 0.359 nan 8.250 nan 0.000 0.449 3157 E N 0.929 121.154 120.200 0.042 0.000 2.359 3157 E HA 0.360 4.710 4.350 0.000 0.000 0.266 3157 E C -0.686 175.920 176.600 0.010 0.000 0.920 3157 E CA -0.934 55.484 56.400 0.030 0.000 0.788 3157 E CB 1.282 30.996 29.700 0.023 0.000 1.279 3157 E HN 0.213 nan 8.360 nan 0.000 0.438 3158 R N 1.370 121.871 120.500 0.002 0.000 2.296 3158 R HA 0.097 4.437 4.340 0.000 0.000 0.323 3158 R C 1.379 177.671 176.300 -0.013 0.000 1.067 3158 R CA 0.230 56.318 56.100 -0.020 0.000 0.946 3158 R CB 0.419 30.708 30.300 -0.018 0.000 0.991 3158 R HN 0.568 nan 8.270 nan 0.000 0.448 3159 V N 0.011 119.913 119.914 -0.020 0.000 2.720 3159 V HA -0.090 4.030 4.120 0.000 0.000 0.256 3159 V C 0.922 177.013 176.094 -0.004 0.000 1.082 3159 V CA 1.150 63.444 62.300 -0.009 0.000 1.101 3159 V CB -0.255 31.563 31.823 -0.009 0.000 0.693 3159 V HN 0.520 nan 8.190 nan 0.000 0.479 3160 S N -1.077 114.620 115.700 -0.005 0.000 2.526 3160 S HA 0.777 5.247 4.470 0.000 0.000 0.293 3160 S C 0.897 175.495 174.600 -0.004 0.000 1.092 3160 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 3160 S CB 1.874 65.082 63.200 0.013 0.000 1.048 3160 S HN 0.709 nan 8.310 nan 0.000 0.483 3161 A N 2.954 125.769 122.820 -0.009 0.000 2.019 3161 A HA -0.083 4.237 4.320 0.000 0.000 0.219 3161 A C 1.907 179.490 177.584 -0.001 0.000 1.164 3161 A CA 1.722 53.755 52.037 -0.006 0.000 0.644 3161 A CB -0.651 18.342 19.000 -0.012 0.000 0.805 3161 A HN 0.901 nan 8.150 nan 0.000 0.449 3162 Q N -1.089 118.714 119.800 0.005 0.000 2.389 3162 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 3162 Q C 0.490 176.502 176.000 0.020 0.000 0.944 3162 Q CA -0.098 55.718 55.803 0.020 0.000 0.908 3162 Q CB -0.098 28.668 28.738 0.046 0.000 1.002 3162 Q HN 0.675 nan 8.270 nan 0.000 0.493 3163 M N 2.286 121.893 119.600 0.011 0.000 2.243 3163 M HA 0.186 4.666 4.480 0.000 0.000 0.341 3163 M C -2.026 174.271 176.300 -0.005 0.000 1.130 3163 M CA -1.787 53.513 55.300 -0.001 0.000 1.162 3163 M CB 0.406 32.997 32.600 -0.014 0.000 1.497 3163 M HN -0.044 nan 8.290 nan 0.000 0.456 3164 P HA 0.007 nan 4.420 nan 0.000 0.266 3164 P C -0.515 176.780 177.300 -0.009 0.000 1.193 3164 P CA 0.312 63.406 63.100 -0.010 0.000 0.770 3164 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 3165 K N 0.944 121.343 120.400 -0.001 0.000 2.367 3165 K HA 0.108 4.428 4.320 0.000 0.000 0.194 3165 K C 0.509 177.116 176.600 0.012 0.000 1.027 3165 K CA 0.350 56.641 56.287 0.006 0.000 1.075 3165 K CB 0.349 32.854 32.500 0.009 0.000 0.845 3165 K HN 0.330 nan 8.250 nan 0.000 0.529 3166 K N 0.975 121.378 120.400 0.006 0.000 2.550 3166 K HA 0.257 4.577 4.320 0.000 0.000 0.252 3166 K C -1.835 174.768 176.600 0.004 0.000 0.943 3166 K CA -0.494 55.799 56.287 0.010 0.000 0.806 3166 K CB 2.085 34.588 32.500 0.005 0.000 1.289 3166 K HN -0.239 nan 8.250 nan 0.000 0.435 3167 V N 2.886 122.806 119.914 0.010 0.000 2.531 3167 V HA 0.448 4.568 4.120 0.000 0.000 0.301 3167 V C -0.277 175.825 176.094 0.013 0.000 1.034 3167 V CA -0.716 61.587 62.300 0.006 0.000 0.865 3167 V CB 1.755 33.579 31.823 0.001 0.000 0.995 3167 V HN 0.936 nan 8.190 nan 0.000 0.424 3168 T N -0.088 114.470 114.554 0.007 0.000 2.859 3168 T HA 0.556 4.906 4.350 0.000 0.000 0.281 3168 T C -0.004 174.700 174.700 0.007 0.000 1.005 3168 T CA -0.333 61.771 62.100 0.007 0.000 1.025 3168 T CB 1.301 70.170 68.868 0.002 0.000 0.977 3168 T HN 0.778 nan 8.240 nan 0.000 0.458 3169 D N 0.667 121.072 120.400 0.008 0.000 2.697 3169 D HA -0.147 4.493 4.640 0.000 0.000 0.238 3169 D C 0.333 176.640 176.300 0.012 0.000 1.152 3169 D CA 0.867 54.872 54.000 0.008 0.000 0.666 3169 D CB -1.224 39.578 40.800 0.003 0.000 1.037 3169 D HN 1.118 nan 8.370 nan 0.000 0.423 3170 A N 1.483 124.315 122.820 0.020 0.000 2.462 3170 A HA 0.408 4.728 4.320 0.000 0.000 0.243 3170 A C 0.492 178.093 177.584 0.029 0.000 1.076 3170 A CA 0.127 52.180 52.037 0.026 0.000 0.773 3170 A CB 0.605 19.632 19.000 0.045 0.000 1.010 3170 A HN 0.160 nan 8.150 nan 0.000 0.493 3171 K N 2.633 123.047 120.400 0.023 0.000 2.389 3171 K HA 0.419 4.739 4.320 0.000 0.000 0.261 3171 K C -1.319 175.303 176.600 0.035 0.000 1.014 3171 K CA -0.162 56.139 56.287 0.024 0.000 0.920 3171 K CB 1.067 33.573 32.500 0.010 0.000 1.149 3171 K HN 0.530 nan 8.250 nan 0.000 0.444 3172 I N 2.072 122.680 120.570 0.063 0.000 2.331 3172 I HA 0.281 4.451 4.170 0.000 0.000 0.292 3172 I C 0.279 176.451 176.117 0.093 0.000 0.998 3172 I CA -0.317 61.048 61.300 0.109 0.000 1.267 3172 I CB 1.613 39.719 38.000 0.176 0.000 1.386 3172 I HN 0.502 nan 8.210 nan 0.000 0.476 3173 A N 7.372 130.247 122.820 0.092 0.000 2.330 3173 A HA 0.857 5.177 4.320 0.000 0.000 0.327 3173 A C -0.765 176.891 177.584 0.120 0.000 1.155 3173 A CA -0.560 51.521 52.037 0.075 0.000 0.803 3173 A CB 0.732 19.752 19.000 0.033 0.000 1.208 3173 A HN 0.674 nan 8.150 nan 0.000 0.477 3174 L N 3.185 124.464 121.223 0.094 0.000 2.324 3174 L HA 0.371 4.711 4.340 0.000 0.000 0.274 3174 L C -1.256 175.652 176.870 0.064 0.000 1.012 3174 L CA -0.552 54.347 54.840 0.098 0.000 0.859 3174 L CB 1.038 43.136 42.059 0.065 0.000 1.224 3174 L HN 0.499 nan 8.230 nan 0.000 0.429 3175 L N 2.769 124.033 121.223 0.068 0.000 2.309 3175 L HA 0.357 4.697 4.340 0.000 0.000 0.282 3175 L C 0.739 177.635 176.870 0.043 0.000 1.036 3175 L CA 0.211 55.078 54.840 0.045 0.000 0.806 3175 L CB 1.492 43.573 42.059 0.036 0.000 1.220 3175 L HN 0.422 nan 8.230 nan 0.000 0.429 3176 N N 0.455 119.174 118.700 0.030 0.000 2.407 3176 N HA 0.008 4.748 4.740 0.000 0.000 0.182 3176 N C 0.125 175.648 175.510 0.022 0.000 1.079 3176 N CA 0.012 53.077 53.050 0.025 0.000 0.882 3176 N CB 0.376 38.875 38.487 0.019 0.000 1.106 3176 N HN 0.586 nan 8.380 nan 0.000 0.461 3177 C N 1.915 121.227 119.300 0.020 0.000 2.585 3177 C HA 0.746 5.206 4.460 0.000 0.000 0.406 3177 C C 0.843 175.844 174.990 0.019 0.000 1.312 3177 C CA -0.959 58.070 59.018 0.018 0.000 1.924 3177 C CB -1.442 26.307 27.740 0.016 0.000 2.578 3177 C HN 0.507 nan 8.230 nan 0.000 0.580 3178 A N 6.294 129.125 122.820 0.018 0.000 2.540 3178 A HA 0.305 4.625 4.320 0.000 0.000 0.239 3178 A C 0.328 177.923 177.584 0.019 0.000 1.061 3178 A CA 0.120 52.168 52.037 0.019 0.000 0.758 3178 A CB -0.046 18.964 19.000 0.017 0.000 0.991 3178 A HN 0.898 nan 8.150 nan 0.000 0.502 3179 I N 2.588 123.170 120.570 0.020 0.000 2.204 3179 I HA 0.135 4.305 4.170 0.000 0.000 0.291 3179 I C -0.057 176.075 176.117 0.025 0.000 1.153 3179 I CA 0.615 61.928 61.300 0.022 0.000 1.546 3179 I CB -0.558 37.454 38.000 0.021 0.000 1.490 3179 I HN 0.627 nan 8.210 nan 0.000 0.697 3180 E N 4.661 124.874 120.200 0.022 0.000 2.302 3180 E HA 0.397 4.747 4.350 0.000 0.000 0.263 3180 E C -0.989 175.623 176.600 0.019 0.000 0.897 3180 E CA -0.599 55.814 56.400 0.021 0.000 0.809 3180 E CB 2.044 31.755 29.700 0.018 0.000 1.270 3180 E HN 0.235 nan 8.360 nan 0.000 0.410 3181 E N 1.904 122.116 120.200 0.020 0.000 2.275 3181 E HA 0.235 4.585 4.350 0.000 0.000 0.270 3181 E C -0.740 175.869 176.600 0.014 0.000 0.882 3181 E CA -0.612 55.799 56.400 0.017 0.000 0.758 3181 E CB 2.269 31.981 29.700 0.019 0.000 1.195 3181 E HN 0.287 nan 8.360 nan 0.000 0.419 3182 T N 1.492 116.053 114.554 0.010 0.000 2.946 3182 T HA 0.358 4.708 4.350 0.000 0.000 0.311 3182 T C 0.180 174.883 174.700 0.005 0.000 1.063 3182 T CA 0.840 62.944 62.100 0.007 0.000 1.139 3182 T CB 0.286 69.158 68.868 0.006 0.000 0.994 3182 T HN 0.732 nan 8.240 nan 0.000 0.547 3183 A N 2.900 125.721 122.820 0.002 0.000 2.435 3183 A HA -0.084 4.236 4.320 0.000 0.000 0.686 3183 A C 1.365 178.945 177.584 -0.006 0.000 0.138 3183 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 3183 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 3183 A HN 0.801 nan 8.150 nan 0.000 0.548 3184 S N 0.522 116.211 115.700 -0.018 0.000 2.406 3184 S HA -0.078 4.392 4.470 0.000 0.000 0.228 3184 S C 1.689 176.262 174.600 -0.045 0.000 1.020 3184 S CA 1.334 59.513 58.200 -0.035 0.000 0.965 3184 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 3184 S HN 0.736 nan 8.310 nan 0.000 0.488 3185 E N 1.136 121.315 120.200 -0.036 0.000 2.072 3185 E HA -0.010 4.340 4.350 0.000 0.000 0.191 3185 E C 1.962 178.558 176.600 -0.006 0.000 0.985 3185 E CA 0.858 57.240 56.400 -0.030 0.000 0.801 3185 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 3185 E HN 0.409 nan 8.360 nan 0.000 0.452 3186 M N 0.013 119.614 119.600 0.000 0.000 2.200 3186 M HA -0.065 4.415 4.480 0.000 0.000 0.265 3186 M C 2.315 178.630 176.300 0.024 0.000 1.066 3186 M CA 0.731 56.038 55.300 0.012 0.000 1.127 3186 M CB -0.810 31.796 32.600 0.009 0.000 1.379 3186 M HN 0.090 nan 8.290 nan 0.000 0.420 3187 L N 0.668 121.906 121.223 0.024 0.000 2.072 3187 L HA -0.069 4.271 4.340 0.000 0.000 0.205 3187 L C 2.120 179.037 176.870 0.079 0.000 1.079 3187 L CA 1.840 56.705 54.840 0.041 0.000 0.752 3187 L CB -0.569 41.510 42.059 0.034 0.000 0.906 3187 L HN 0.162 nan 8.230 nan 0.000 0.436 3188 K N -0.673 119.773 120.400 0.077 0.000 2.283 3188 K HA -0.170 4.150 4.320 0.000 0.000 0.202 3188 K C 1.691 178.418 176.600 0.213 0.000 1.048 3188 K CA 1.084 57.482 56.287 0.185 0.000 0.948 3188 K CB -0.157 32.303 32.500 -0.067 0.000 0.742 3188 K HN 0.315 nan 8.250 nan 0.000 0.458 3189 D N 0.840 121.301 120.400 0.103 0.000 2.117 3189 D HA -0.131 4.509 4.640 0.000 0.000 0.197 3189 D C 1.796 178.134 176.300 0.064 0.000 0.987 3189 D CA 1.101 55.148 54.000 0.077 0.000 0.829 3189 D CB 0.174 40.999 40.800 0.043 0.000 0.961 3189 D HN -0.012 nan 8.370 nan 0.000 0.460 3190 M N -0.044 119.591 119.600 0.058 0.000 2.117 3190 M HA -0.096 4.384 4.480 0.000 0.000 0.262 3190 M C 2.333 178.647 176.300 0.024 0.000 1.065 3190 M CA 0.640 55.963 55.300 0.037 0.000 1.114 3190 M CB -0.879 31.742 32.600 0.036 0.000 1.361 3190 M HN -0.017 nan 8.290 nan 0.000 0.408 3191 V N 0.479 120.420 119.914 0.045 0.000 2.358 3191 V HA -0.193 3.927 4.120 0.000 0.000 0.246 3191 V C 2.717 178.751 176.094 -0.100 0.000 1.047 3191 V CA 1.725 64.008 62.300 -0.027 0.000 1.035 3191 V CB -1.332 30.495 31.823 0.006 0.000 0.658 3191 V HN 0.474 nan 8.190 nan 0.000 0.452 3192 A N -0.465 122.346 122.820 -0.015 0.000 1.930 3192 A HA -0.222 4.098 4.320 0.000 0.000 0.217 3192 A C 2.177 179.746 177.584 -0.025 0.000 1.175 3192 A CA 1.752 53.777 52.037 -0.021 0.000 0.627 3192 A CB -0.419 18.632 19.000 0.085 0.000 0.815 3192 A HN 0.614 nan 8.150 nan 0.000 0.443 3193 E N -0.386 119.810 120.200 -0.006 0.000 2.106 3193 E HA -0.116 4.234 4.350 0.000 0.000 0.192 3193 E C 1.837 178.426 176.600 -0.019 0.000 0.984 3193 E CA 0.992 57.388 56.400 -0.006 0.000 0.806 3193 E CB -0.250 29.453 29.700 0.005 0.000 0.750 3193 E HN 0.709 nan 8.360 nan 0.000 0.458 3194 I N 1.116 121.667 120.570 -0.032 0.000 2.179 3194 I HA -0.281 3.889 4.170 0.000 0.000 0.242 3194 I C 2.485 178.572 176.117 -0.050 0.000 1.088 3194 I CA 1.058 62.335 61.300 -0.039 0.000 1.357 3194 I CB -0.151 37.819 38.000 -0.050 0.000 1.051 3194 I HN -0.021 nan 8.210 nan 0.000 0.409 3195 K N 1.629 121.984 120.400 -0.076 0.000 2.057 3195 K HA -0.124 4.196 4.320 0.000 0.000 0.207 3195 K C 2.038 178.610 176.600 -0.047 0.000 1.049 3195 K CA 1.726 57.966 56.287 -0.079 0.000 0.931 3195 K CB -0.406 32.022 32.500 -0.121 0.000 0.714 3195 K HN 0.276 nan 8.250 nan 0.000 0.440 3196 A N -0.101 122.697 122.820 -0.036 0.000 1.933 3196 A HA -0.121 4.199 4.320 0.000 0.000 0.218 3196 A C 2.177 179.752 177.584 -0.014 0.000 1.175 3196 A CA 2.088 54.114 52.037 -0.019 0.000 0.628 3196 A CB -0.755 18.239 19.000 -0.010 0.000 0.814 3196 A HN 0.365 nan 8.150 nan 0.000 0.444 3197 S N -1.743 113.949 115.700 -0.014 0.000 2.474 3197 S HA 0.248 4.718 4.470 0.000 0.000 0.235 3197 S C 1.509 176.104 174.600 -0.008 0.000 0.997 3197 S CA 1.158 59.353 58.200 -0.008 0.000 0.949 3197 S CB -0.139 63.058 63.200 -0.005 0.000 0.766 3197 S HN 1.678 nan 8.310 nan 0.000 0.517 3198 G N 0.687 109.478 108.800 -0.015 0.000 2.159 3198 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 3198 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 3198 G C 0.108 174.998 174.900 -0.017 0.000 0.986 3198 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 3198 G HN 0.827 nan 8.290 nan 0.000 0.523 3199 A N 0.039 122.846 122.820 -0.021 0.000 2.477 3199 A HA 0.638 4.958 4.320 0.000 0.000 0.246 3199 A C 1.106 178.668 177.584 -0.037 0.000 1.078 3199 A CA 0.721 52.746 52.037 -0.021 0.000 0.770 3199 A CB 0.217 19.205 19.000 -0.020 0.000 1.011 3199 A HN 0.333 nan 8.150 nan 0.000 0.494 3200 N N 0.606 119.287 118.700 -0.032 0.000 2.257 3200 N HA 0.125 4.865 4.740 0.000 0.000 0.200 3200 N C -0.679 174.794 175.510 -0.063 0.000 1.163 3200 N CA 0.449 53.472 53.050 -0.044 0.000 0.891 3200 N CB 1.046 39.516 38.487 -0.029 0.000 1.067 3200 N HN 0.383 nan 8.380 nan 0.000 0.497 3201 V N 2.512 122.389 119.914 -0.062 0.000 2.540 3201 V HA 0.458 4.578 4.120 0.000 0.000 0.302 3201 V C -0.697 175.310 176.094 -0.145 0.000 1.035 3201 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 3201 V CB 2.993 34.782 31.823 -0.058 0.000 0.992 3201 V HN 0.023 nan 8.190 nan 0.000 0.428 3202 L N 5.632 126.683 121.223 -0.287 0.000 2.446 3202 L HA 0.604 4.944 4.340 0.000 0.000 0.268 3202 L C -1.828 174.831 176.870 -0.351 0.000 0.975 3202 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 3202 L CB 1.468 43.453 42.059 -0.123 0.000 1.225 3202 L HN 0.581 nan 8.230 nan 0.000 0.410 3203 F N 4.419 124.367 119.950 -0.004 0.000 2.361 3203 F HA 0.335 4.862 4.527 -0.000 0.000 0.364 3203 F C 0.527 176.325 175.800 -0.004 0.000 1.117 3203 F CA -0.407 57.591 58.000 -0.005 0.000 1.071 3203 F CB 1.346 40.342 39.000 -0.007 0.000 1.188 3203 F HN 0.445 nan 8.300 nan 0.000 0.464 3204 C N 5.263 124.645 119.300 0.137 0.000 2.303 3204 C HA 0.217 4.677 4.460 0.000 0.000 0.326 3204 C C 1.630 176.671 174.990 0.085 0.000 1.285 3204 C CA -0.463 58.605 59.018 0.084 0.000 1.675 3204 C CB 0.642 28.407 27.740 0.042 0.000 2.289 3204 C HN 0.952 nan 8.230 nan 0.000 0.512 3205 Q N 3.203 123.042 119.800 0.066 0.000 2.124 3205 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 3205 Q C 1.089 177.110 176.000 0.035 0.000 0.977 3205 Q CA 1.592 57.422 55.803 0.046 0.000 0.850 3205 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 3205 Q HN 0.704 nan 8.270 nan 0.000 0.429 3206 K N -0.711 119.708 120.400 0.031 0.000 2.842 3206 K HA 0.349 4.669 4.320 0.000 0.000 0.310 3206 K C 0.495 177.111 176.600 0.026 0.000 0.992 3206 K CA 0.060 56.362 56.287 0.024 0.000 1.207 3206 K CB -0.739 31.773 32.500 0.020 0.000 1.478 3206 K HN 0.131 nan 8.250 nan 0.000 0.601 3207 G N 0.261 109.073 108.800 0.021 0.000 2.562 3207 G HA2 0.535 4.495 3.960 0.000 0.000 0.275 3207 G HA3 0.535 4.495 3.960 0.000 0.000 0.275 3207 G C -0.472 174.439 174.900 0.019 0.000 1.196 3207 G CA -0.558 44.554 45.100 0.019 0.000 0.908 3207 G HN 0.313 nan 8.290 nan 0.000 0.524 3208 I N 0.679 121.260 120.570 0.018 0.000 2.478 3208 I HA 0.166 4.336 4.170 0.000 0.000 0.287 3208 I C -0.529 175.601 176.117 0.022 0.000 1.042 3208 I CA -0.766 60.545 61.300 0.019 0.000 1.067 3208 I CB 2.037 40.044 38.000 0.012 0.000 1.233 3208 I HN 0.415 nan 8.210 nan 0.000 0.431 3209 D N 4.932 125.348 120.400 0.027 0.000 2.414 3209 D HA -0.049 4.591 4.640 0.000 0.000 0.242 3209 D C 0.612 176.936 176.300 0.040 0.000 1.129 3209 D CA 0.174 54.193 54.000 0.031 0.000 0.885 3209 D CB 1.341 42.161 40.800 0.033 0.000 1.198 3209 D HN 0.484 nan 8.370 nan 0.000 0.437 3210 D N 2.790 123.211 120.400 0.036 0.000 2.158 3210 D HA -0.185 4.455 4.640 0.000 0.000 0.197 3210 D C 1.770 178.118 176.300 0.079 0.000 0.995 3210 D CA 0.609 54.634 54.000 0.042 0.000 0.846 3210 D CB -0.031 40.783 40.800 0.024 0.000 0.941 3210 D HN 0.454 nan 8.370 nan 0.000 0.456 3211 L N 0.189 121.461 121.223 0.082 0.000 2.056 3211 L HA -0.140 4.200 4.340 0.000 0.000 0.207 3211 L C 2.184 179.136 176.870 0.136 0.000 1.078 3211 L CA 1.419 56.326 54.840 0.112 0.000 0.749 3211 L CB -0.166 41.934 42.059 0.067 0.000 0.901 3211 L HN -0.021 nan 8.230 nan 0.000 0.433 3212 A N -0.639 122.244 122.820 0.105 0.000 1.933 3212 A HA -0.251 4.069 4.320 0.000 0.000 0.218 3212 A C 2.085 179.733 177.584 0.107 0.000 1.175 3212 A CA 1.645 53.749 52.037 0.111 0.000 0.628 3212 A CB -0.486 18.555 19.000 0.069 0.000 0.814 3212 A HN 0.638 nan 8.150 nan 0.000 0.444 3213 Q N -1.417 118.438 119.800 0.093 0.000 2.084 3213 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 3213 Q C 2.050 178.135 176.000 0.142 0.000 0.978 3213 Q CA 1.628 57.478 55.803 0.079 0.000 0.844 3213 Q CB -0.388 28.382 28.738 0.054 0.000 0.898 3213 Q HN 0.944 nan 8.270 nan 0.000 0.426 3214 H N -0.857 118.247 119.070 0.056 0.000 2.293 3214 H HA -0.196 4.360 4.556 0.000 0.000 0.300 3214 H C 1.941 177.349 175.328 0.134 0.000 1.082 3214 H CA 1.173 57.264 56.048 0.070 0.000 1.308 3214 H CB 0.114 29.910 29.762 0.057 0.000 1.375 3214 H HN 0.238 nan 8.280 nan 0.000 0.495 3215 Y N 1.303 121.599 120.300 -0.007 0.000 2.293 3215 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 3215 Y C 2.335 178.213 175.900 -0.036 0.000 1.137 3215 Y CA 0.921 58.965 58.100 -0.094 0.000 1.202 3215 Y CB -0.557 37.853 38.460 -0.082 0.000 0.990 3215 Y HN 0.206 nan 8.280 nan 0.000 0.537 3216 L N -0.574 120.644 121.223 -0.007 0.000 2.042 3216 L HA -0.256 4.084 4.340 0.000 0.000 0.210 3216 L C 2.712 179.543 176.870 -0.066 0.000 1.076 3216 L CA 1.341 56.120 54.840 -0.100 0.000 0.749 3216 L CB -0.881 41.150 42.059 -0.047 0.000 0.893 3216 L HN 0.235 nan 8.230 nan 0.000 0.432 3217 A N -0.163 122.668 122.820 0.018 0.000 1.933 3217 A HA -0.212 4.108 4.320 0.000 0.000 0.218 3217 A C 2.290 179.893 177.584 0.031 0.000 1.175 3217 A CA 1.579 53.638 52.037 0.036 0.000 0.628 3217 A CB -0.317 18.740 19.000 0.094 0.000 0.814 3217 A HN 0.330 nan 8.150 nan 0.000 0.444 3218 K N -0.404 120.025 120.400 0.048 0.000 2.211 3218 K HA -0.067 4.253 4.320 0.000 0.000 0.203 3218 K C 1.137 177.722 176.600 -0.024 0.000 1.050 3218 K CA 1.109 57.424 56.287 0.046 0.000 0.945 3218 K CB 0.024 32.605 32.500 0.134 0.000 0.732 3218 K HN 0.390 nan 8.250 nan 0.000 0.451 3219 E N -0.400 119.727 120.200 -0.122 0.000 2.479 3219 E HA 0.027 4.377 4.350 0.000 0.000 0.193 3219 E C 0.809 177.351 176.600 -0.097 0.000 1.049 3219 E CA 0.380 56.685 56.400 -0.158 0.000 0.870 3219 E CB 0.744 30.262 29.700 -0.305 0.000 0.944 3219 E HN 0.447 nan 8.360 nan 0.000 0.492 3220 G N 2.043 110.803 108.800 -0.066 0.000 2.160 3220 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 3220 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 3220 G C 0.235 175.100 174.900 -0.058 0.000 1.008 3220 G CA 0.179 45.252 45.100 -0.046 0.000 0.724 3220 G HN 0.265 nan 8.290 nan 0.000 0.514 3221 I N 0.937 121.461 120.570 -0.078 0.000 2.331 3221 I HA 0.438 4.608 4.170 0.000 0.000 0.292 3221 I C 0.984 177.051 176.117 -0.083 0.000 0.998 3221 I CA -1.155 60.093 61.300 -0.087 0.000 1.267 3221 I CB 1.633 39.568 38.000 -0.108 0.000 1.386 3221 I HN 0.144 nan 8.210 nan 0.000 0.476 3222 V N 3.747 123.604 119.914 -0.096 0.000 2.509 3222 V HA 0.915 5.035 4.120 0.000 0.000 0.284 3222 V C 0.049 176.035 176.094 -0.181 0.000 1.047 3222 V CA -0.260 61.971 62.300 -0.115 0.000 0.952 3222 V CB 1.161 32.919 31.823 -0.108 0.000 0.988 3222 V HN 0.829 nan 8.190 nan 0.000 0.469 3223 A N 3.604 126.322 122.820 -0.169 0.000 2.515 3223 A HA 1.007 5.327 4.320 0.000 0.000 0.298 3223 A C -0.351 177.130 177.584 -0.172 0.000 1.059 3223 A CA -0.298 51.621 52.037 -0.197 0.000 0.698 3223 A CB 1.857 20.790 19.000 -0.113 0.000 1.289 3223 A HN 2.349 nan 8.150 nan 0.000 0.404 3224 A N 1.756 124.459 122.820 -0.195 0.000 2.374 3224 A HA 0.772 5.092 4.320 0.000 0.000 0.305 3224 A C -0.081 177.504 177.584 0.003 0.000 1.053 3224 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 3224 A CB 0.933 19.916 19.000 -0.028 0.000 1.229 3224 A HN 1.237 nan 8.150 nan 0.000 0.431 3225 R N 1.660 122.172 120.500 0.020 0.000 2.607 3225 R HA 0.734 5.074 4.340 0.000 0.000 0.261 3225 R C -0.401 175.926 176.300 0.046 0.000 1.051 3225 R CA -0.787 55.333 56.100 0.033 0.000 1.110 3225 R CB 0.446 30.758 30.300 0.020 0.000 1.158 3225 R HN 0.523 nan 8.270 nan 0.000 0.543 3226 R N -0.892 119.632 120.500 0.040 0.000 3.525 3226 R HA -0.109 4.231 4.340 0.000 0.000 0.276 3226 R C -0.745 175.579 176.300 0.041 0.000 1.116 3226 R CA 0.537 56.657 56.100 0.033 0.000 0.745 3226 R CB -2.607 27.708 30.300 0.024 0.000 1.185 3226 R HN 0.534 nan 8.270 nan 0.000 0.454 3227 V N 1.491 121.442 119.914 0.061 0.000 2.572 3227 V HA 0.049 4.169 4.120 0.000 0.000 0.291 3227 V C 1.474 177.582 176.094 0.023 0.000 1.039 3227 V CA -0.175 62.164 62.300 0.065 0.000 1.055 3227 V CB 1.237 33.134 31.823 0.123 0.000 0.969 3227 V HN 0.147 nan 8.190 nan 0.000 0.482 3228 K N 3.487 123.886 120.400 -0.001 0.000 2.484 3228 K HA -0.046 4.274 4.320 0.000 0.000 0.280 3228 K C 1.204 177.792 176.600 -0.021 0.000 1.013 3228 K CA -0.135 56.144 56.287 -0.014 0.000 1.029 3228 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 3228 K HN 0.607 nan 8.250 nan 0.000 0.481 3229 K N 2.351 122.743 120.400 -0.014 0.000 2.103 3229 K HA -0.168 4.152 4.320 0.000 0.000 0.207 3229 K C 1.889 178.474 176.600 -0.026 0.000 1.048 3229 K CA 2.047 58.326 56.287 -0.014 0.000 0.930 3229 K CB -0.408 32.087 32.500 -0.008 0.000 0.716 3229 K HN 0.577 nan 8.250 nan 0.000 0.444 3230 S N 0.248 115.930 115.700 -0.030 0.000 2.368 3230 S HA -0.144 4.326 4.470 0.000 0.000 0.225 3230 S C 1.339 175.904 174.600 -0.058 0.000 1.030 3230 S CA 1.656 59.834 58.200 -0.038 0.000 0.999 3230 S CB -0.466 62.713 63.200 -0.035 0.000 0.844 3230 S HN 0.394 nan 8.310 nan 0.000 0.459 3231 D N 0.846 121.203 120.400 -0.072 0.000 2.218 3231 D HA -0.037 4.604 4.640 0.000 0.000 0.204 3231 D C 1.946 178.158 176.300 -0.148 0.000 0.976 3231 D CA 0.796 54.726 54.000 -0.116 0.000 0.853 3231 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 3231 D HN 0.390 nan 8.370 nan 0.000 0.481 3232 M N 0.345 119.884 119.600 -0.101 0.000 2.117 3232 M HA -0.105 4.375 4.480 0.000 0.000 0.262 3232 M C 2.023 178.278 176.300 -0.075 0.000 1.065 3232 M CA 1.013 56.261 55.300 -0.087 0.000 1.114 3232 M CB -0.776 31.805 32.600 -0.032 0.000 1.361 3232 M HN 0.047 nan 8.290 nan 0.000 0.408 3233 E N 0.993 121.158 120.200 -0.059 0.000 2.150 3233 E HA -0.154 4.196 4.350 0.000 0.000 0.193 3233 E C 1.775 178.341 176.600 -0.057 0.000 0.985 3233 E CA 1.040 57.412 56.400 -0.046 0.000 0.814 3233 E CB 0.085 29.764 29.700 -0.034 0.000 0.752 3233 E HN 0.488 nan 8.360 nan 0.000 0.466 3234 K N 0.203 120.557 120.400 -0.077 0.000 2.057 3234 K HA -0.070 4.250 4.320 0.000 0.000 0.206 3234 K C 2.423 178.964 176.600 -0.098 0.000 1.050 3234 K CA 1.001 57.238 56.287 -0.083 0.000 0.935 3234 K CB -0.104 32.337 32.500 -0.099 0.000 0.715 3234 K HN 0.157 nan 8.250 nan 0.000 0.439 3235 L N 0.526 121.663 121.223 -0.144 0.000 2.093 3235 L HA -0.154 4.186 4.340 0.000 0.000 0.208 3235 L C 2.581 179.403 176.870 -0.079 0.000 1.085 3235 L CA 0.941 55.685 54.840 -0.161 0.000 0.755 3235 L CB -0.526 41.358 42.059 -0.292 0.000 0.904 3235 L HN 0.199 nan 8.230 nan 0.000 0.435 3236 A N -0.223 122.562 122.820 -0.057 0.000 1.898 3236 A HA -0.167 4.153 4.320 0.000 0.000 0.216 3236 A C 2.351 179.926 177.584 -0.015 0.000 1.181 3236 A CA 1.351 53.374 52.037 -0.024 0.000 0.620 3236 A CB -0.246 18.743 19.000 -0.019 0.000 0.819 3236 A HN 0.172 nan 8.150 nan 0.000 0.442 3237 K N -0.139 120.248 120.400 -0.022 0.000 2.057 3237 K HA -0.012 4.308 4.320 0.000 0.000 0.206 3237 K C 2.317 178.916 176.600 -0.003 0.000 1.050 3237 K CA 1.289 57.569 56.287 -0.011 0.000 0.935 3237 K CB -0.682 31.808 32.500 -0.016 0.000 0.715 3237 K HN 0.442 nan 8.250 nan 0.000 0.439 3238 A N 1.241 124.051 122.820 -0.016 0.000 1.832 3238 A HA -0.140 4.180 4.320 0.000 0.000 0.214 3238 A C 2.337 179.924 177.584 0.005 0.000 1.200 3238 A CA 2.622 54.653 52.037 -0.009 0.000 0.610 3238 A CB -1.076 17.906 19.000 -0.030 0.000 0.842 3238 A HN 0.475 nan 8.150 nan 0.000 0.444 3239 T N -4.201 110.353 114.554 -0.000 0.000 3.067 3239 T HA 0.364 4.714 4.350 0.000 0.000 0.261 3239 T C 1.419 176.133 174.700 0.025 0.000 1.110 3239 T CA 1.221 63.331 62.100 0.015 0.000 1.113 3239 T CB -0.129 68.752 68.868 0.023 0.000 0.917 3239 T HN 1.863 nan 8.240 nan 0.000 0.499 3240 G N 1.390 110.202 108.800 0.021 0.000 2.147 3240 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 3240 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 3240 G C 0.216 175.128 174.900 0.022 0.000 1.005 3240 G CA -0.036 45.078 45.100 0.024 0.000 0.713 3240 G HN 1.172 nan 8.290 nan 0.000 0.515 3241 A N -0.414 122.418 122.820 0.020 0.000 2.371 3241 A HA 0.643 4.963 4.320 0.000 0.000 0.257 3241 A C 0.384 177.979 177.584 0.019 0.000 1.089 3241 A CA 0.279 52.331 52.037 0.026 0.000 0.794 3241 A CB 0.522 19.545 19.000 0.038 0.000 1.029 3241 A HN 0.755 nan 8.150 nan 0.000 0.488 3242 N N 1.276 119.989 118.700 0.022 0.000 2.424 3242 N HA 0.369 5.109 4.740 0.000 0.000 0.271 3242 N C -0.917 174.605 175.510 0.020 0.000 0.985 3242 N CA -0.344 52.716 53.050 0.016 0.000 0.921 3242 N CB 1.273 39.769 38.487 0.015 0.000 1.149 3242 N HN 0.280 nan 8.380 nan 0.000 0.492 3243 V N 4.929 124.852 119.914 0.014 0.000 2.446 3243 V HA 0.147 4.267 4.120 0.000 0.000 0.276 3243 V C 0.481 176.584 176.094 0.016 0.000 1.030 3243 V CA -0.169 62.141 62.300 0.016 0.000 1.033 3243 V CB -0.837 30.991 31.823 0.009 0.000 0.993 3243 V HN 0.579 nan 8.190 nan 0.000 0.477 3244 I N 2.372 122.953 120.570 0.020 0.000 2.603 3244 I HA 0.633 4.803 4.170 0.000 0.000 0.300 3244 I C 0.663 176.790 176.117 0.016 0.000 1.017 3244 I CA 0.108 61.418 61.300 0.016 0.000 1.098 3244 I CB 1.963 39.973 38.000 0.017 0.000 1.279 3244 I HN 0.341 nan 8.210 nan 0.000 0.437 3245 T N 1.390 115.952 114.554 0.013 0.000 2.815 3245 T HA 0.091 4.441 4.350 0.000 0.000 0.244 3245 T C 0.728 175.435 174.700 0.013 0.000 1.040 3245 T CA 0.872 62.980 62.100 0.013 0.000 1.176 3245 T CB -0.259 68.615 68.868 0.010 0.000 0.880 3245 T HN 0.677 nan 8.240 nan 0.000 0.414 3246 N N 1.124 119.831 118.700 0.011 0.000 2.472 3246 N HA 0.240 4.980 4.740 0.000 0.000 0.277 3246 N C 0.873 176.390 175.510 0.012 0.000 1.081 3246 N CA -0.129 52.928 53.050 0.011 0.000 0.973 3246 N CB 0.674 39.167 38.487 0.010 0.000 1.105 3246 N HN 0.175 nan 8.380 nan 0.000 0.470 3247 I N 2.349 122.927 120.570 0.012 0.000 2.361 3247 I HA -0.248 3.922 4.170 0.000 0.000 0.251 3247 I C 2.019 178.142 176.117 0.010 0.000 1.133 3247 I CA 0.857 62.164 61.300 0.012 0.000 1.413 3247 I CB -0.041 37.967 38.000 0.013 0.000 1.073 3247 I HN 0.509 nan 8.210 nan 0.000 0.424 3248 K N 1.388 121.794 120.400 0.010 0.000 2.103 3248 K HA -0.222 4.099 4.320 0.000 0.000 0.207 3248 K C 1.331 177.936 176.600 0.008 0.000 1.048 3248 K CA 1.779 58.071 56.287 0.009 0.000 0.930 3248 K CB -0.231 32.275 32.500 0.009 0.000 0.716 3248 K HN 0.252 nan 8.250 nan 0.000 0.444 3249 D N -0.510 119.895 120.400 0.009 0.000 2.277 3249 D HA -0.029 4.611 4.640 0.000 0.000 0.208 3249 D C -0.171 176.134 176.300 0.009 0.000 0.962 3249 D CA 0.172 54.177 54.000 0.008 0.000 0.865 3249 D CB -0.012 40.793 40.800 0.009 0.000 0.939 3249 D HN 0.089 nan 8.370 nan 0.000 0.510 3250 L N 1.172 122.400 121.223 0.009 0.000 2.601 3250 L HA 0.104 4.444 4.340 0.000 0.000 0.277 3250 L C 0.160 177.034 176.870 0.007 0.000 1.219 3250 L CA 0.311 55.156 54.840 0.009 0.000 0.915 3250 L CB 0.047 42.111 42.059 0.009 0.000 1.160 3250 L HN -0.008 nan 8.230 nan 0.000 0.494 3251 S N 3.292 118.997 115.700 0.008 0.000 2.661 3251 S HA 0.788 5.258 4.470 0.000 0.000 0.285 3251 S C 0.774 175.378 174.600 0.007 0.000 1.138 3251 S CA -0.393 57.811 58.200 0.006 0.000 0.855 3251 S CB 1.269 64.473 63.200 0.006 0.000 1.136 3251 S HN 0.842 nan 8.310 nan 0.000 0.484 3252 A N 0.560 123.383 122.820 0.005 0.000 1.978 3252 A HA -0.083 4.237 4.320 0.000 0.000 0.220 3252 A C 1.992 179.581 177.584 0.009 0.000 1.170 3252 A CA 1.352 53.393 52.037 0.006 0.000 0.636 3252 A CB -0.869 18.134 19.000 0.004 0.000 0.810 3252 A HN 0.735 nan 8.150 nan 0.000 0.448 3253 Q N 0.058 119.864 119.800 0.009 0.000 2.437 3253 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 3253 Q C 0.575 176.583 176.000 0.013 0.000 0.972 3253 Q CA 1.065 56.874 55.803 0.011 0.000 0.903 3253 Q CB -0.215 28.528 28.738 0.009 0.000 0.967 3253 Q HN 0.671 nan 8.270 nan 0.000 0.486 3254 D N -0.407 120.002 120.400 0.014 0.000 2.354 3254 D HA 0.021 4.661 4.640 0.000 0.000 0.209 3254 D C 0.071 176.384 176.300 0.022 0.000 1.015 3254 D CA 0.014 54.024 54.000 0.017 0.000 0.867 3254 D CB 0.464 41.273 40.800 0.016 0.000 0.933 3254 D HN 0.104 nan 8.370 nan 0.000 0.520 3255 L N 0.923 122.159 121.223 0.022 0.000 2.397 3255 L HA 0.370 4.710 4.340 0.000 0.000 0.271 3255 L C 1.217 178.105 176.870 0.030 0.000 1.148 3255 L CA -0.103 54.754 54.840 0.028 0.000 0.825 3255 L CB 1.162 43.234 42.059 0.022 0.000 1.117 3255 L HN -0.176 nan 8.230 nan 0.000 0.456 3256 G N 1.067 109.890 108.800 0.038 0.000 2.491 3256 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 3256 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 3256 G C -1.329 173.594 174.900 0.038 0.000 1.189 3256 G CA -0.414 44.708 45.100 0.037 0.000 0.956 3256 G HN 0.570 nan 8.290 nan 0.000 0.491 3257 D N -0.686 119.734 120.400 0.033 0.000 2.350 3257 D HA 0.651 5.291 4.640 0.000 0.000 0.245 3257 D C -0.199 176.116 176.300 0.026 0.000 1.036 3257 D CA 0.141 54.157 54.000 0.027 0.000 0.848 3257 D CB 2.007 42.818 40.800 0.018 0.000 1.307 3257 D HN 0.611 nan 8.370 nan 0.000 0.469 3258 A N 0.645 123.484 122.820 0.030 0.000 2.488 3258 A HA 0.624 4.944 4.320 0.000 0.000 0.298 3258 A C 0.999 178.598 177.584 0.026 0.000 1.044 3258 A CA -0.498 51.558 52.037 0.031 0.000 0.693 3258 A CB 1.509 20.542 19.000 0.055 0.000 1.272 3258 A HN 0.585 nan 8.150 nan 0.000 0.402 3259 G N 0.620 109.429 108.800 0.015 0.000 2.408 3259 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 3259 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 3259 G C 0.393 175.304 174.900 0.020 0.000 1.150 3259 G CA 0.887 45.993 45.100 0.010 0.000 0.776 3259 G HN 0.612 nan 8.290 nan 0.000 0.542 3260 L N 0.262 121.505 121.223 0.033 0.000 2.436 3260 L HA 0.523 4.863 4.340 0.000 0.000 0.268 3260 L C -1.384 175.532 176.870 0.077 0.000 0.974 3260 L CA -0.807 54.059 54.840 0.043 0.000 0.826 3260 L CB 3.083 45.161 42.059 0.032 0.000 1.291 3260 L HN -0.222 nan 8.230 nan 0.000 0.406 3261 V N 2.465 122.427 119.914 0.080 0.000 2.409 3261 V HA 0.493 4.613 4.120 0.000 0.000 0.290 3261 V C -0.580 175.572 176.094 0.098 0.000 1.017 3261 V CA -0.442 61.929 62.300 0.118 0.000 0.841 3261 V CB 1.835 33.730 31.823 0.119 0.000 1.003 3261 V HN 0.783 nan 8.190 nan 0.000 0.426 3262 E N 3.037 123.320 120.200 0.138 0.000 2.343 3262 E HA 0.394 4.744 4.350 0.000 0.000 0.278 3262 E C -1.157 175.544 176.600 0.168 0.000 0.910 3262 E CA -0.658 55.806 56.400 0.108 0.000 0.757 3262 E CB 2.351 32.086 29.700 0.057 0.000 1.218 3262 E HN 0.747 nan 8.360 nan 0.000 0.435 3263 E N 4.137 124.405 120.200 0.113 0.000 2.152 3263 E HA 0.252 4.602 4.350 0.000 0.000 0.285 3263 E C -0.942 175.725 176.600 0.112 0.000 1.043 3263 E CA -0.256 56.220 56.400 0.127 0.000 0.839 3263 E CB 0.673 30.416 29.700 0.072 0.000 1.069 3263 E HN 0.322 nan 8.360 nan 0.000 0.399 3264 R N 3.670 124.277 120.500 0.178 0.000 2.686 3264 R HA 0.386 4.726 4.340 0.000 0.000 0.286 3264 R C -0.739 175.648 176.300 0.143 0.000 0.969 3264 R CA -0.911 55.252 56.100 0.105 0.000 0.898 3264 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 3264 R HN 0.319 nan 8.270 nan 0.000 0.456 3265 K N 2.419 122.864 120.400 0.076 0.000 2.211 3265 K HA 0.380 4.700 4.320 0.000 0.000 0.275 3265 K C -0.671 175.971 176.600 0.071 0.000 1.024 3265 K CA -0.468 55.863 56.287 0.073 0.000 0.887 3265 K CB 1.098 33.624 32.500 0.043 0.000 1.084 3265 K HN 0.295 nan 8.250 nan 0.000 0.463 3266 I N 2.043 122.667 120.570 0.090 0.000 2.390 3266 I HA 0.069 4.239 4.170 0.000 0.000 0.283 3266 I C -0.030 176.120 176.117 0.054 0.000 1.016 3266 I CA -0.061 61.286 61.300 0.078 0.000 1.151 3266 I CB 1.658 39.730 38.000 0.120 0.000 1.293 3266 I HN 0.594 nan 8.210 nan 0.000 0.458 3267 S N 4.343 120.066 115.700 0.039 0.000 3.698 3267 S HA -0.178 4.292 4.470 0.000 0.000 0.338 3267 S C 1.312 175.929 174.600 0.028 0.000 1.089 3267 S CA 0.975 59.193 58.200 0.030 0.000 0.991 3267 S CB -1.412 61.806 63.200 0.029 0.000 0.909 3267 S HN 1.454 nan 8.310 nan 0.000 0.485 3268 G N 0.641 109.459 108.800 0.029 0.000 2.579 3268 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 3268 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 3268 G C -0.351 174.568 174.900 0.032 0.000 1.201 3268 G CA 0.108 45.224 45.100 0.026 0.000 0.710 3268 G HN 0.614 nan 8.290 nan 0.000 0.516 3269 D N 2.481 122.901 120.400 0.034 0.000 2.401 3269 D HA 0.435 5.075 4.640 0.000 0.000 0.254 3269 D C 1.040 177.372 176.300 0.054 0.000 1.192 3269 D CA 0.989 55.010 54.000 0.036 0.000 0.885 3269 D CB 1.237 42.055 40.800 0.030 0.000 1.147 3269 D HN 0.687 nan 8.370 nan 0.000 0.478 3270 S N 2.595 118.326 115.700 0.052 0.000 2.565 3270 S HA 0.584 5.054 4.470 0.000 0.000 0.274 3270 S C 0.103 174.747 174.600 0.074 0.000 1.309 3270 S CA -0.667 57.576 58.200 0.072 0.000 1.043 3270 S CB 1.290 64.524 63.200 0.057 0.000 0.939 3270 S HN 0.396 nan 8.310 nan 0.000 0.504 3271 M N 2.063 121.733 119.600 0.117 0.000 2.593 3271 M HA 0.509 4.989 4.480 0.000 0.000 0.290 3271 M C -1.236 175.138 176.300 0.124 0.000 1.244 3271 M CA -0.594 54.745 55.300 0.064 0.000 0.857 3271 M CB 2.239 34.822 32.600 -0.027 0.000 1.738 3271 M HN 0.566 nan 8.290 nan 0.000 0.461 3272 I N 1.661 122.250 120.570 0.032 0.000 2.339 3272 I HA 0.373 4.543 4.170 0.000 0.000 0.290 3272 I C -1.363 174.751 176.117 -0.005 0.000 0.994 3272 I CA -0.369 61.011 61.300 0.133 0.000 1.191 3272 I CB 0.918 39.044 38.000 0.211 0.000 1.343 3272 I HN 0.425 nan 8.210 nan 0.000 0.458 3273 F N 5.910 125.905 119.950 0.075 0.000 2.405 3273 F HA 0.365 4.892 4.527 0.000 0.000 0.355 3273 F C 0.193 176.035 175.800 0.071 0.000 1.121 3273 F CA -0.736 57.297 58.000 0.053 0.000 1.112 3273 F CB 1.379 40.398 39.000 0.032 0.000 1.126 3273 F HN 0.031 nan 8.300 nan 0.000 0.481 3274 V N 4.352 124.368 119.914 0.170 0.000 2.275 3274 V HA 0.316 4.436 4.120 0.000 0.000 0.272 3274 V C -0.304 175.850 176.094 0.099 0.000 1.028 3274 V CA -0.579 61.800 62.300 0.131 0.000 0.810 3274 V CB 0.254 32.119 31.823 0.070 0.000 1.043 3274 V HN 0.806 nan 8.190 nan 0.000 0.453 3275 E N 3.001 123.266 120.200 0.110 0.000 2.378 3275 E HA 0.679 5.029 4.350 0.000 0.000 0.265 3275 E C -0.618 176.009 176.600 0.046 0.000 0.932 3275 E CA -0.888 55.561 56.400 0.082 0.000 0.795 3275 E CB 1.702 31.465 29.700 0.106 0.000 1.296 3275 E HN 0.208 nan 8.360 nan 0.000 0.438 3276 E N -0.839 119.376 120.200 0.025 0.000 2.596 3276 E HA -0.147 4.203 4.350 0.000 0.000 0.272 3276 E C -0.663 175.929 176.600 -0.014 0.000 1.039 3276 E CA 0.513 56.913 56.400 0.001 0.000 0.804 3276 E CB -2.239 27.462 29.700 0.002 0.000 1.373 3276 E HN 0.598 nan 8.360 nan 0.000 0.404 3277 C N 0.712 120.005 119.300 -0.012 0.000 2.689 3277 C HA 0.068 4.528 4.460 0.000 0.000 0.409 3277 C C 2.296 177.239 174.990 -0.079 0.000 1.293 3277 C CA -0.077 58.926 59.018 -0.024 0.000 2.136 3277 C CB 0.443 28.179 27.740 -0.007 0.000 2.719 3277 C HN 0.384 nan 8.230 nan 0.000 0.644 3278 K N 0.618 120.953 120.400 -0.107 0.000 1.969 3278 K HA -0.090 4.230 4.320 0.000 0.000 0.216 3278 K C 0.416 176.715 176.600 -0.502 0.000 1.048 3278 K CA 1.379 57.498 56.287 -0.279 0.000 0.948 3278 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 3278 K HN 0.686 nan 8.250 nan 0.000 0.442 3279 H N 0.195 119.268 119.070 0.006 0.000 2.488 3279 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 3279 H C -2.535 172.794 175.328 0.001 0.000 1.395 3279 H CA -1.998 54.052 56.048 0.003 0.000 1.491 3279 H CB 0.749 30.512 29.762 0.002 0.000 1.567 3279 H HN 0.193 nan 8.280 nan 0.000 0.508 3280 P HA 0.133 nan 4.420 nan 0.000 0.275 3280 P C 0.267 177.591 177.300 0.040 0.000 1.227 3280 P CA -0.512 62.611 63.100 0.038 0.000 0.781 3280 P CB 1.808 33.516 31.700 0.014 0.000 0.906 3281 K N 0.665 121.079 120.400 0.024 0.000 2.374 3281 K HA 0.449 4.769 4.320 0.000 0.000 0.202 3281 K C 0.284 176.886 176.600 0.002 0.000 1.040 3281 K CA 0.039 56.335 56.287 0.015 0.000 1.085 3281 K CB 0.696 33.203 32.500 0.011 0.000 0.873 3281 K HN 0.534 nan 8.250 nan 0.000 0.539 3282 A N 0.523 123.340 122.820 -0.004 0.000 2.449 3282 A HA 0.686 5.006 4.320 0.000 0.000 0.302 3282 A C -0.901 176.674 177.584 -0.014 0.000 1.048 3282 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 3282 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 3282 A HN -0.004 nan 8.150 nan 0.000 0.410 3283 V N -1.153 118.752 119.914 -0.014 0.000 3.074 3283 V HA 0.978 5.098 4.120 0.000 0.000 0.314 3283 V C -0.428 175.654 176.094 -0.020 0.000 1.117 3283 V CA -0.585 61.709 62.300 -0.010 0.000 1.014 3283 V CB 1.659 33.483 31.823 0.002 0.000 1.057 3283 V HN 0.880 nan 8.190 nan 0.000 0.438 3284 T N 3.304 117.848 114.554 -0.016 0.000 2.886 3284 T HA 0.632 4.982 4.350 0.000 0.000 0.292 3284 T C -0.558 174.140 174.700 -0.003 0.000 1.012 3284 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 3284 T CB 1.492 70.319 68.868 -0.068 0.000 1.018 3284 T HN 0.748 nan 8.240 nan 0.000 0.451 3285 M N 3.403 123.000 119.600 -0.005 0.000 2.072 3285 M HA 0.382 4.862 4.480 0.000 0.000 0.331 3285 M C -0.954 175.353 176.300 0.011 0.000 1.004 3285 M CA -0.905 54.403 55.300 0.013 0.000 0.952 3285 M CB 1.325 33.931 32.600 0.010 0.000 1.511 3285 M HN 0.343 nan 8.290 nan 0.000 0.422 3286 L N 5.791 127.036 121.223 0.036 0.000 2.315 3286 L HA 0.465 4.805 4.340 0.000 0.000 0.283 3286 L C -0.797 176.099 176.870 0.042 0.000 1.089 3286 L CA 0.250 55.115 54.840 0.042 0.000 0.833 3286 L CB 0.248 42.370 42.059 0.105 0.000 1.170 3286 L HN 0.558 nan 8.230 nan 0.000 0.442 3287 I N 6.029 126.615 120.570 0.026 0.000 2.331 3287 I HA 0.391 4.561 4.170 0.000 0.000 0.292 3287 I C 0.336 176.469 176.117 0.027 0.000 0.998 3287 I CA -0.421 60.893 61.300 0.023 0.000 1.267 3287 I CB 0.734 38.742 38.000 0.013 0.000 1.386 3287 I HN 0.611 nan 8.210 nan 0.000 0.476 3288 R N 3.701 124.218 120.500 0.029 0.000 2.828 3288 R HA 0.896 5.236 4.340 0.000 0.000 0.264 3288 R C -0.349 175.966 176.300 0.024 0.000 1.022 3288 R CA -0.968 55.149 56.100 0.028 0.000 1.021 3288 R CB 2.205 32.523 30.300 0.031 0.000 1.163 3288 R HN 0.843 nan 8.270 nan 0.000 0.494 3289 G N -0.774 108.040 108.800 0.024 0.000 2.340 3289 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 3289 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 3289 G C 0.033 174.949 174.900 0.027 0.000 1.498 3289 G CA -0.677 44.438 45.100 0.025 0.000 0.847 3289 G HN 0.398 nan 8.290 nan 0.000 0.594 3290 T N 0.342 114.913 114.554 0.028 0.000 2.881 3290 T HA 0.159 4.509 4.350 0.000 0.000 0.270 3290 T C 0.918 175.639 174.700 0.035 0.000 1.068 3290 T CA 2.098 64.215 62.100 0.028 0.000 1.131 3290 T CB -0.179 68.704 68.868 0.025 0.000 0.871 3290 T HN 0.674 nan 8.240 nan 0.000 0.479 3291 T N 0.175 114.757 114.554 0.045 0.000 2.868 3291 T HA 0.230 4.580 4.350 0.000 0.000 0.306 3291 T C 0.359 175.099 174.700 0.067 0.000 1.224 3291 T CA -0.798 61.341 62.100 0.065 0.000 1.012 3291 T CB 2.435 71.352 68.868 0.082 0.000 1.221 3291 T HN -0.179 nan 8.240 nan 0.000 0.499 3292 E N 0.649 120.888 120.200 0.066 0.000 2.097 3292 E HA -0.180 4.170 4.350 0.000 0.000 0.196 3292 E C 1.566 178.139 176.600 -0.044 0.000 1.000 3292 E CA 1.823 58.221 56.400 -0.002 0.000 0.804 3292 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 3292 E HN 0.605 nan 8.360 nan 0.000 0.454 3293 H N -0.492 118.582 119.070 0.007 0.000 2.457 3293 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 3293 H C 2.120 177.452 175.328 0.007 0.000 1.064 3293 H CA 0.954 57.005 56.048 0.006 0.000 1.330 3293 H CB 0.113 29.878 29.762 0.005 0.000 1.395 3293 H HN -0.061 nan 8.280 nan 0.000 0.541 3294 V N 1.278 121.264 119.914 0.120 0.000 2.323 3294 V HA -0.194 3.926 4.120 0.000 0.000 0.244 3294 V C 2.320 178.439 176.094 0.042 0.000 1.041 3294 V CA 1.805 64.147 62.300 0.070 0.000 1.025 3294 V CB -0.471 31.385 31.823 0.055 0.000 0.656 3294 V HN 0.544 nan 8.190 nan 0.000 0.451 3295 I N -1.725 118.863 120.570 0.029 0.000 2.830 3295 I HA -0.099 4.071 4.170 0.000 0.000 0.263 3295 I C 2.109 178.226 176.117 0.000 0.000 1.230 3295 I CA 1.428 62.736 61.300 0.013 0.000 1.480 3295 I CB -0.578 37.427 38.000 0.008 0.000 1.095 3295 I HN 0.303 nan 8.210 nan 0.000 0.455 3296 E N 1.487 121.682 120.200 -0.009 0.000 2.072 3296 E HA -0.247 4.103 4.350 0.000 0.000 0.191 3296 E C 2.010 178.611 176.600 0.001 0.000 0.985 3296 E CA 1.472 57.859 56.400 -0.021 0.000 0.801 3296 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 3296 E HN 0.559 nan 8.360 nan 0.000 0.452 3297 E N 0.606 120.817 120.200 0.019 0.000 2.106 3297 E HA -0.131 4.219 4.350 0.000 0.000 0.192 3297 E C 1.929 178.540 176.600 0.019 0.000 0.984 3297 E CA 0.806 57.220 56.400 0.023 0.000 0.806 3297 E CB 0.027 29.747 29.700 0.034 0.000 0.750 3297 E HN 0.003 nan 8.360 nan 0.000 0.458 3298 V N 0.949 120.874 119.914 0.019 0.000 2.343 3298 V HA -0.240 3.880 4.120 0.000 0.000 0.247 3298 V C 2.404 178.505 176.094 0.011 0.000 1.051 3298 V CA 1.743 64.053 62.300 0.017 0.000 1.036 3298 V CB -0.957 30.877 31.823 0.018 0.000 0.654 3298 V HN 0.474 nan 8.190 nan 0.000 0.451 3299 A N -0.125 122.698 122.820 0.006 0.000 1.940 3299 A HA -0.202 4.118 4.320 0.000 0.000 0.219 3299 A C 2.354 179.939 177.584 0.002 0.000 1.176 3299 A CA 1.500 53.537 52.037 0.000 0.000 0.631 3299 A CB -0.409 18.587 19.000 -0.007 0.000 0.814 3299 A HN 0.416 nan 8.150 nan 0.000 0.446 3300 R N -0.581 119.922 120.500 0.004 0.000 2.115 3300 R HA 0.048 4.388 4.340 0.000 0.000 0.226 3300 R C 2.388 178.693 176.300 0.009 0.000 1.100 3300 R CA 1.207 57.310 56.100 0.006 0.000 0.980 3300 R CB -0.939 29.365 30.300 0.007 0.000 0.875 3300 R HN 0.527 nan 8.270 nan 0.000 0.445 3301 A N 1.161 123.989 122.820 0.013 0.000 1.898 3301 A HA -0.116 4.204 4.320 0.000 0.000 0.216 3301 A C 2.270 179.862 177.584 0.015 0.000 1.181 3301 A CA 1.798 53.845 52.037 0.017 0.000 0.620 3301 A CB -0.522 18.491 19.000 0.021 0.000 0.819 3301 A HN 0.209 nan 8.150 nan 0.000 0.442 3302 V N -2.491 117.430 119.914 0.012 0.000 2.951 3302 V HA -0.050 4.070 4.120 0.000 0.000 0.255 3302 V C 1.834 177.932 176.094 0.007 0.000 1.088 3302 V CA 2.093 64.398 62.300 0.010 0.000 1.109 3302 V CB -0.544 31.284 31.823 0.008 0.000 0.724 3302 V HN 0.392 nan 8.190 nan 0.000 0.471 3303 D N 1.235 121.638 120.400 0.005 0.000 2.117 3303 D HA -0.164 4.476 4.640 0.000 0.000 0.198 3303 D C 1.764 178.067 176.300 0.005 0.000 0.982 3303 D CA 1.725 55.727 54.000 0.002 0.000 0.828 3303 D CB -0.133 40.667 40.800 0.001 0.000 0.967 3303 D HN 0.488 nan 8.370 nan 0.000 0.464 3304 D N -0.297 120.108 120.400 0.007 0.000 2.103 3304 D HA -0.019 4.621 4.640 0.000 0.000 0.199 3304 D C 1.955 178.261 176.300 0.010 0.000 0.978 3304 D CA 1.387 55.392 54.000 0.009 0.000 0.829 3304 D CB -0.473 40.334 40.800 0.011 0.000 0.981 3304 D HN 0.241 nan 8.370 nan 0.000 0.464 3305 A N 0.648 123.475 122.820 0.012 0.000 1.877 3305 A HA -0.129 4.191 4.320 0.000 0.000 0.216 3305 A C 2.380 179.971 177.584 0.010 0.000 1.186 3305 A CA 1.289 53.334 52.037 0.013 0.000 0.620 3305 A CB -0.905 18.104 19.000 0.015 0.000 0.822 3305 A HN 0.181 nan 8.150 nan 0.000 0.443 3306 V N -0.023 119.896 119.914 0.008 0.000 2.759 3306 V HA -0.081 4.039 4.120 0.000 0.000 0.256 3306 V C 2.299 178.396 176.094 0.006 0.000 1.080 3306 V CA 2.090 64.394 62.300 0.006 0.000 1.101 3306 V CB -0.677 31.148 31.823 0.004 0.000 0.698 3306 V HN 0.570 nan 8.190 nan 0.000 0.477 3307 G N -0.125 108.679 108.800 0.006 0.000 2.404 3307 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 3307 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 3307 G C 1.618 176.522 174.900 0.007 0.000 1.189 3307 G CA 1.328 46.431 45.100 0.006 0.000 0.789 3307 G HN 0.661 nan 8.290 nan 0.000 0.533 3308 V N -1.061 118.858 119.914 0.009 0.000 2.809 3308 V HA -0.007 4.113 4.120 0.000 0.000 0.256 3308 V C 2.630 178.730 176.094 0.010 0.000 1.080 3308 V CA 1.122 63.428 62.300 0.010 0.000 1.102 3308 V CB -0.426 31.404 31.823 0.012 0.000 0.705 3308 V HN 0.118 nan 8.190 nan 0.000 0.475 3309 V N 2.103 122.022 119.914 0.009 0.000 2.407 3309 V HA -0.081 4.039 4.120 0.000 0.000 0.248 3309 V C 2.850 178.948 176.094 0.007 0.000 1.055 3309 V CA 2.318 64.623 62.300 0.008 0.000 1.049 3309 V CB -1.324 30.503 31.823 0.008 0.000 0.662 3309 V HN 0.629 nan 8.190 nan 0.000 0.455 3310 G N -1.459 107.345 108.800 0.006 0.000 2.403 3310 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 3310 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 3310 G C 1.717 176.621 174.900 0.006 0.000 1.154 3310 G CA 1.143 46.247 45.100 0.005 0.000 0.784 3310 G HN 0.529 nan 8.290 nan 0.000 0.538 3311 C N 0.568 119.872 119.300 0.007 0.000 2.425 3311 C HA -0.015 4.445 4.460 0.000 0.000 0.277 3311 C C 3.193 178.187 174.990 0.007 0.000 1.280 3311 C CA 1.536 60.559 59.018 0.007 0.000 1.744 3311 C CB -0.917 26.828 27.740 0.008 0.000 1.989 3311 C HN 0.412 nan 8.230 nan 0.000 0.491 3312 T N 0.963 115.522 114.554 0.008 0.000 2.951 3312 T HA 0.024 4.374 4.350 0.000 0.000 0.268 3312 T C 1.553 176.256 174.700 0.006 0.000 1.073 3312 T CA 0.958 63.062 62.100 0.008 0.000 1.134 3312 T CB -0.195 68.677 68.868 0.008 0.000 0.884 3312 T HN 0.497 nan 8.240 nan 0.000 0.479 3313 I N 0.745 121.318 120.570 0.006 0.000 2.439 3313 I HA -0.078 4.092 4.170 0.000 0.000 0.251 3313 I C 2.467 178.586 176.117 0.004 0.000 1.139 3313 I CA 1.191 62.494 61.300 0.005 0.000 1.438 3313 I CB -0.201 37.802 38.000 0.005 0.000 1.085 3313 I HN 0.298 nan 8.210 nan 0.000 0.427 3314 E N 0.122 120.325 120.200 0.005 0.000 2.086 3314 E HA -0.046 4.304 4.350 0.000 0.000 0.190 3314 E C 0.004 176.607 176.600 0.004 0.000 0.975 3314 E CA 0.659 57.062 56.400 0.004 0.000 0.813 3314 E CB 0.282 29.984 29.700 0.004 0.000 0.768 3314 E HN 0.328 nan 8.360 nan 0.000 0.457 3315 D N -0.130 120.273 120.400 0.005 0.000 2.453 3315 D HA 0.147 4.787 4.640 0.000 0.000 0.238 3315 D C 0.021 176.325 176.300 0.006 0.000 1.088 3315 D CA -0.122 53.882 54.000 0.006 0.000 0.854 3315 D CB 1.603 42.407 40.800 0.007 0.000 1.076 3315 D HN 0.107 nan 8.370 nan 0.000 0.533 3316 G N 2.168 110.971 108.800 0.005 0.000 3.279 3316 G HA2 -0.029 3.931 3.960 0.000 0.000 0.230 3316 G HA3 -0.029 3.931 3.960 0.000 0.000 0.230 3316 G C 0.711 175.614 174.900 0.006 0.000 1.230 3316 G CA -0.040 45.063 45.100 0.005 0.000 0.891 3316 G HN 0.074 nan 8.290 nan 0.000 0.518 3317 R N -0.296 120.208 120.500 0.007 0.000 2.589 3317 R HA 0.741 5.081 4.340 0.000 0.000 0.293 3317 R C -0.855 175.451 176.300 0.010 0.000 0.963 3317 R CA -0.646 55.459 56.100 0.008 0.000 0.905 3317 R CB 1.874 32.178 30.300 0.007 0.000 1.144 3317 R HN 0.172 nan 8.270 nan 0.000 0.459 3318 I N 2.415 122.992 120.570 0.011 0.000 2.828 3318 I HA 0.642 4.812 4.170 0.000 0.000 0.302 3318 I C -1.097 175.030 176.117 0.016 0.000 1.101 3318 I CA -1.114 60.194 61.300 0.013 0.000 1.031 3318 I CB 2.015 40.023 38.000 0.013 0.000 1.231 3318 I HN 0.472 nan 8.210 nan 0.000 0.427 3319 V N 2.383 122.308 119.914 0.018 0.000 2.914 3319 V HA 0.669 4.789 4.120 0.000 0.000 0.314 3319 V C -0.105 176.004 176.094 0.025 0.000 1.084 3319 V CA -0.614 61.699 62.300 0.022 0.000 0.963 3319 V CB 1.382 33.218 31.823 0.023 0.000 1.025 3319 V HN 0.811 nan 8.190 nan 0.000 0.432 3320 S N 2.205 117.924 115.700 0.031 0.000 2.562 3320 S HA 0.633 5.103 4.470 0.000 0.000 0.281 3320 S C 0.525 175.145 174.600 0.033 0.000 1.333 3320 S CA 0.185 58.406 58.200 0.035 0.000 1.052 3320 S CB 0.779 64.004 63.200 0.043 0.000 0.884 3320 S HN 1.775 nan 8.310 nan 0.000 0.506 3321 G N 0.427 109.248 108.800 0.035 0.000 2.782 3321 G HA2 0.567 4.527 3.960 0.000 0.000 0.201 3321 G HA3 0.567 4.527 3.960 0.000 0.000 0.201 3321 G C 0.860 175.779 174.900 0.031 0.000 1.374 3321 G CA -0.559 44.559 45.100 0.031 0.000 1.039 3321 G HN 2.024 nan 8.290 nan 0.000 0.576 3322 G N -1.846 106.971 108.800 0.028 0.000 2.225 3322 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 3322 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 3322 G C 1.456 176.357 174.900 0.003 0.000 1.024 3322 G CA 1.218 46.329 45.100 0.019 0.000 0.784 3322 G HN 2.471 nan 8.290 nan 0.000 0.507 3323 G N -1.454 107.343 108.800 -0.005 0.000 2.162 3323 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 3323 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 3323 G C 1.485 176.372 174.900 -0.023 0.000 0.976 3323 G CA 1.679 46.768 45.100 -0.020 0.000 0.655 3323 G HN 1.972 nan 8.290 nan 0.000 0.533 3324 S N 0.049 115.748 115.700 -0.001 0.000 2.368 3324 S HA -0.164 4.306 4.470 0.000 0.000 0.225 3324 S C 2.806 177.393 174.600 -0.022 0.000 1.030 3324 S CA 2.754 60.960 58.200 0.010 0.000 0.999 3324 S CB -0.580 62.651 63.200 0.052 0.000 0.844 3324 S HN 1.375 nan 8.310 nan 0.000 0.459 3325 T N 0.122 114.670 114.554 -0.010 0.000 2.614 3325 T HA -0.101 4.249 4.350 0.000 0.000 0.263 3325 T C 1.573 176.240 174.700 -0.054 0.000 1.055 3325 T CA 1.636 63.726 62.100 -0.016 0.000 1.162 3325 T CB -1.079 67.789 68.868 0.001 0.000 0.863 3325 T HN 0.425 nan 8.240 nan 0.000 0.414 3326 E N 1.029 121.199 120.200 -0.050 0.000 2.147 3326 E HA -0.094 4.256 4.350 0.000 0.000 0.199 3326 E C 2.284 178.824 176.600 -0.100 0.000 1.005 3326 E CA 1.085 57.446 56.400 -0.065 0.000 0.810 3326 E CB -0.864 28.798 29.700 -0.063 0.000 0.736 3326 E HN 0.421 nan 8.360 nan 0.000 0.460 3327 V N 1.003 120.834 119.914 -0.139 0.000 2.295 3327 V HA -0.232 3.888 4.120 0.000 0.000 0.246 3327 V C 2.386 178.251 176.094 -0.382 0.000 1.049 3327 V CA 1.875 64.041 62.300 -0.224 0.000 1.024 3327 V CB -0.448 31.236 31.823 -0.232 0.000 0.648 3327 V HN 0.301 nan 8.190 nan 0.000 0.447 3328 E N 0.323 120.239 120.200 -0.474 0.000 2.118 3328 E HA -0.207 4.143 4.350 0.000 0.000 0.195 3328 E C 2.155 178.676 176.600 -0.131 0.000 0.992 3328 E CA 1.491 57.639 56.400 -0.419 0.000 0.804 3328 E CB -0.144 29.503 29.700 -0.087 0.000 0.741 3328 E HN 0.586 nan 8.360 nan 0.000 0.458 3329 L N 0.149 121.323 121.223 -0.081 0.000 2.027 3329 L HA -0.137 4.203 4.340 0.000 0.000 0.206 3329 L C 2.859 179.738 176.870 0.015 0.000 1.074 3329 L CA 1.297 56.136 54.840 -0.002 0.000 0.745 3329 L CB -0.578 41.498 42.059 0.029 0.000 0.898 3329 L HN 0.105 nan 8.230 nan 0.000 0.433 3330 S N -0.453 115.231 115.700 -0.027 0.000 2.368 3330 S HA -0.174 4.296 4.470 0.000 0.000 0.225 3330 S C 2.136 176.736 174.600 -0.001 0.000 1.030 3330 S CA 1.107 59.300 58.200 -0.011 0.000 0.999 3330 S CB -0.005 63.169 63.200 -0.044 0.000 0.844 3330 S HN 0.195 nan 8.310 nan 0.000 0.459 3331 M N 0.955 120.537 119.600 -0.032 0.000 2.086 3331 M HA -0.018 4.462 4.480 0.000 0.000 0.261 3331 M C 2.243 178.566 176.300 0.039 0.000 1.067 3331 M CA 1.647 56.950 55.300 0.005 0.000 1.116 3331 M CB -1.253 31.353 32.600 0.011 0.000 1.348 3331 M HN 0.266 nan 8.290 nan 0.000 0.407 3332 K N 0.669 121.092 120.400 0.038 0.000 2.062 3332 K HA 0.013 4.333 4.320 0.000 0.000 0.205 3332 K C 1.892 178.538 176.600 0.076 0.000 1.051 3332 K CA 0.993 57.307 56.287 0.045 0.000 0.941 3332 K CB -0.320 32.190 32.500 0.017 0.000 0.719 3332 K HN 0.263 nan 8.250 nan 0.000 0.440 3333 L N 0.246 121.525 121.223 0.092 0.000 2.275 3333 L HA -0.057 4.283 4.340 0.000 0.000 0.215 3333 L C 2.355 179.309 176.870 0.140 0.000 1.119 3333 L CA 0.870 55.809 54.840 0.165 0.000 0.790 3333 L CB -0.263 41.901 42.059 0.175 0.000 0.919 3333 L HN 0.153 nan 8.230 nan 0.000 0.443 3334 R N 0.016 120.568 120.500 0.088 0.000 2.081 3334 R HA -0.200 4.140 4.340 0.000 0.000 0.235 3334 R C 2.185 178.523 176.300 0.064 0.000 1.131 3334 R CA 1.510 57.645 56.100 0.058 0.000 0.960 3334 R CB -0.175 30.148 30.300 0.038 0.000 0.856 3334 R HN 0.376 nan 8.270 nan 0.000 0.436 3335 E N -0.251 119.999 120.200 0.082 0.000 2.152 3335 E HA -0.202 4.149 4.350 0.000 0.000 0.192 3335 E C 1.588 178.269 176.600 0.136 0.000 0.983 3335 E CA 0.695 57.146 56.400 0.085 0.000 0.818 3335 E CB -0.013 29.731 29.700 0.074 0.000 0.758 3335 E HN 0.253 nan 8.360 nan 0.000 0.467 3336 Y N 0.933 121.228 120.300 -0.007 0.000 2.181 3336 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 3336 Y C 2.052 177.938 175.900 -0.022 0.000 1.146 3336 Y CA 1.268 59.357 58.100 -0.018 0.000 1.164 3336 Y CB -0.826 37.616 38.460 -0.030 0.000 0.982 3336 Y HN 0.130 nan 8.280 nan 0.000 0.515 3337 A N 0.154 122.956 122.820 -0.030 0.000 1.908 3337 A HA -0.180 4.140 4.320 0.000 0.000 0.218 3337 A C 2.146 179.682 177.584 -0.079 0.000 1.181 3337 A CA 1.893 53.864 52.037 -0.110 0.000 0.627 3337 A CB -0.524 18.450 19.000 -0.045 0.000 0.818 3337 A HN 0.478 nan 8.150 nan 0.000 0.445 3338 E N -0.569 119.619 120.200 -0.021 0.000 2.106 3338 E HA -0.104 4.246 4.350 0.000 0.000 0.192 3338 E C 2.175 178.767 176.600 -0.013 0.000 0.984 3338 E CA 1.103 57.498 56.400 -0.009 0.000 0.806 3338 E CB -0.638 29.070 29.700 0.013 0.000 0.750 3338 E HN 0.591 nan 8.360 nan 0.000 0.458 3339 G N 1.104 109.905 108.800 0.002 0.000 2.403 3339 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 3339 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 3339 G C 1.748 176.625 174.900 -0.039 0.000 1.154 3339 G CA 0.288 45.397 45.100 0.015 0.000 0.784 3339 G HN 0.152 nan 8.290 nan 0.000 0.538 3340 I N -0.172 120.319 120.570 -0.132 0.000 2.202 3340 I HA -0.013 4.157 4.170 0.000 0.000 0.242 3340 I C 1.740 177.796 176.117 -0.102 0.000 1.091 3340 I CA 0.763 61.957 61.300 -0.176 0.000 1.368 3340 I CB -0.281 37.518 38.000 -0.334 0.000 1.058 3340 I HN 0.313 nan 8.210 nan 0.000 0.410 3341 S N -1.116 114.532 115.700 -0.086 0.000 3.443 3341 S HA -0.141 4.329 4.470 0.000 0.000 0.635 3341 S C 0.560 175.131 174.600 -0.049 0.000 2.555 3341 S CA 0.869 59.038 58.200 -0.052 0.000 2.778 3341 S CB -1.385 61.794 63.200 -0.034 0.000 0.331 3341 S HN 1.357 nan 8.310 nan 0.000 1.765 3342 G N 0.782 109.564 108.800 -0.030 0.000 2.547 3342 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 3342 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 3342 G C 0.366 175.256 174.900 -0.016 0.000 1.209 3342 G CA 1.068 46.154 45.100 -0.022 0.000 0.959 3342 G HN 1.148 nan 8.290 nan 0.000 0.563 3343 R N 0.572 121.066 120.500 -0.010 0.000 2.127 3343 R HA 0.135 4.475 4.340 0.000 0.000 0.217 3343 R C 2.483 178.785 176.300 0.003 0.000 1.074 3343 R CA 1.507 57.610 56.100 0.005 0.000 0.991 3343 R CB -0.188 30.122 30.300 0.018 0.000 0.895 3343 R HN 0.603 nan 8.270 nan 0.000 0.450 3344 E N 1.266 121.456 120.200 -0.018 0.000 2.204 3344 E HA -0.236 4.114 4.350 0.000 0.000 0.195 3344 E C 1.984 178.550 176.600 -0.057 0.000 0.990 3344 E CA 1.416 57.796 56.400 -0.034 0.000 0.821 3344 E CB -0.092 29.564 29.700 -0.072 0.000 0.750 3344 E HN 0.469 nan 8.360 nan 0.000 0.477 3345 Q N 0.198 119.960 119.800 -0.062 0.000 2.170 3345 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 3345 Q C 1.715 177.695 176.000 -0.033 0.000 0.976 3345 Q CA 1.040 56.801 55.803 -0.069 0.000 0.858 3345 Q CB -0.208 28.498 28.738 -0.054 0.000 0.907 3345 Q HN 0.205 nan 8.270 nan 0.000 0.433 3346 L N 1.073 122.294 121.223 -0.004 0.000 2.109 3346 L HA -0.014 4.326 4.340 0.000 0.000 0.207 3346 L C 2.532 179.431 176.870 0.048 0.000 1.086 3346 L CA 1.865 56.719 54.840 0.022 0.000 0.760 3346 L CB -0.980 41.100 42.059 0.034 0.000 0.910 3346 L HN 0.393 nan 8.230 nan 0.000 0.437 3347 A N -1.323 121.538 122.820 0.069 0.000 1.929 3347 A HA -0.093 4.227 4.320 0.000 0.000 0.216 3347 A C 2.320 179.857 177.584 -0.079 0.000 1.176 3347 A CA 1.548 53.676 52.037 0.153 0.000 0.628 3347 A CB -0.738 18.410 19.000 0.247 0.000 0.816 3347 A HN 0.191 nan 8.150 nan 0.000 0.444 3348 V N -0.002 119.854 119.914 -0.098 0.000 2.427 3348 V HA -0.190 3.930 4.120 0.000 0.000 0.248 3348 V C 2.635 178.699 176.094 -0.050 0.000 1.051 3348 V CA 2.194 64.410 62.300 -0.139 0.000 1.048 3348 V CB -0.780 30.942 31.823 -0.168 0.000 0.666 3348 V HN 0.599 nan 8.190 nan 0.000 0.456 3349 R N 1.205 121.687 120.500 -0.030 0.000 2.081 3349 R HA -0.061 4.279 4.340 0.000 0.000 0.235 3349 R C 2.154 178.452 176.300 -0.003 0.000 1.131 3349 R CA 1.850 57.949 56.100 -0.003 0.000 0.960 3349 R CB -0.920 29.382 30.300 0.002 0.000 0.856 3349 R HN 0.435 nan 8.270 nan 0.000 0.436 3350 A N -0.506 122.311 122.820 -0.005 0.000 1.930 3350 A HA -0.120 4.200 4.320 0.000 0.000 0.217 3350 A C 2.160 179.700 177.584 -0.074 0.000 1.175 3350 A CA 1.333 53.379 52.037 0.015 0.000 0.627 3350 A CB -0.819 18.270 19.000 0.149 0.000 0.815 3350 A HN 0.481 nan 8.150 nan 0.000 0.443 3351 F N 0.881 120.570 119.950 -0.435 0.000 2.075 3351 F HA -0.064 4.463 4.527 0.000 0.000 0.297 3351 F C 2.553 178.236 175.800 -0.194 0.000 1.113 3351 F CA 1.536 59.247 58.000 -0.481 0.000 1.218 3351 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 3351 F HN 0.244 nan 8.300 nan 0.000 0.472 3352 A N -0.158 122.724 122.820 0.102 0.000 1.933 3352 A HA -0.188 4.132 4.320 0.000 0.000 0.218 3352 A C 1.892 179.449 177.584 -0.046 0.000 1.175 3352 A CA 2.007 54.082 52.037 0.064 0.000 0.628 3352 A CB -0.962 18.093 19.000 0.093 0.000 0.814 3352 A HN 0.463 nan 8.150 nan 0.000 0.444 3353 D N -0.051 120.321 120.400 -0.046 0.000 2.149 3353 D HA 0.021 4.661 4.640 0.000 0.000 0.201 3353 D C 2.187 178.440 176.300 -0.078 0.000 0.972 3353 D CA 1.347 55.319 54.000 -0.048 0.000 0.835 3353 D CB -0.368 40.418 40.800 -0.024 0.000 0.966 3353 D HN 0.415 nan 8.370 nan 0.000 0.476 3354 A N 0.476 123.226 122.820 -0.117 0.000 1.969 3354 A HA -0.117 4.203 4.320 0.000 0.000 0.218 3354 A C 2.019 179.497 177.584 -0.177 0.000 1.169 3354 A CA 0.763 52.718 52.037 -0.137 0.000 0.635 3354 A CB -0.529 18.378 19.000 -0.154 0.000 0.810 3354 A HN 0.140 nan 8.150 nan 0.000 0.445 3355 L N 0.273 121.351 121.223 -0.242 0.000 2.191 3355 L HA -0.139 4.201 4.340 0.000 0.000 0.212 3355 L C 1.998 178.793 176.870 -0.124 0.000 1.103 3355 L CA 1.659 56.371 54.840 -0.212 0.000 0.769 3355 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 3355 L HN 0.479 nan 8.230 nan 0.000 0.438 3356 E N -1.382 118.758 120.200 -0.099 0.000 2.515 3356 E HA -0.130 4.220 4.350 0.000 0.000 0.201 3356 E C 2.188 178.750 176.600 -0.064 0.000 1.071 3356 E CA 0.260 56.617 56.400 -0.072 0.000 0.880 3356 E CB -0.064 29.601 29.700 -0.058 0.000 0.828 3356 E HN 0.294 nan 8.360 nan 0.000 0.540 3357 V N 1.042 120.914 119.914 -0.071 0.000 2.594 3357 V HA -0.238 3.882 4.120 0.000 0.000 0.253 3357 V C 1.717 177.779 176.094 -0.053 0.000 1.069 3357 V CA 1.237 63.502 62.300 -0.059 0.000 1.082 3357 V CB -0.172 31.614 31.823 -0.062 0.000 0.680 3357 V HN 0.275 nan 8.190 nan 0.000 0.469 3358 I N 0.356 120.892 120.570 -0.057 0.000 2.162 3358 I HA -0.017 4.153 4.170 0.000 0.000 0.238 3358 I C 0.245 176.335 176.117 -0.045 0.000 1.076 3358 I CA 1.414 62.685 61.300 -0.049 0.000 1.353 3358 I CB -2.839 35.132 38.000 -0.048 0.000 1.063 3358 I HN 0.304 nan 8.210 nan 0.000 0.408 3359 P HA -0.194 nan 4.420 nan 0.000 0.216 3359 P C 1.842 179.119 177.300 -0.038 0.000 1.157 3359 P CA 1.544 64.620 63.100 -0.040 0.000 0.880 3359 P CB -0.219 31.457 31.700 -0.042 0.000 0.791 3360 R N -0.013 120.464 120.500 -0.039 0.000 2.096 3360 R HA -0.140 4.200 4.340 0.000 0.000 0.240 3360 R C 1.922 178.200 176.300 -0.036 0.000 1.139 3360 R CA 2.767 58.846 56.100 -0.036 0.000 0.952 3360 R CB -1.485 28.793 30.300 -0.036 0.000 0.854 3360 R HN 0.284 nan 8.270 nan 0.000 0.436 3361 T N -1.580 112.951 114.554 -0.039 0.000 3.067 3361 T HA 0.020 4.370 4.350 0.000 0.000 0.257 3361 T C 2.006 176.678 174.700 -0.046 0.000 1.105 3361 T CA 0.097 62.173 62.100 -0.040 0.000 1.104 3361 T CB -0.042 68.802 68.868 -0.039 0.000 0.925 3361 T HN 0.025 nan 8.240 nan 0.000 0.498 3362 L N 1.678 122.872 121.223 -0.049 0.000 2.083 3362 L HA 0.228 4.568 4.340 0.000 0.000 0.209 3362 L C 2.927 179.758 176.870 -0.066 0.000 1.083 3362 L CA 1.631 56.434 54.840 -0.061 0.000 0.752 3362 L CB -1.202 40.824 42.059 -0.055 0.000 0.899 3362 L HN 0.455 nan 8.230 nan 0.000 0.433 3363 A N -1.537 121.252 122.820 -0.050 0.000 1.935 3363 A HA -0.117 4.203 4.320 0.000 0.000 0.214 3363 A C 2.230 179.789 177.584 -0.043 0.000 1.178 3363 A CA 1.009 53.018 52.037 -0.046 0.000 0.640 3363 A CB -0.366 18.614 19.000 -0.033 0.000 0.825 3363 A HN 0.342 nan 8.150 nan 0.000 0.447 3364 E N 1.615 121.792 120.200 -0.038 0.000 2.033 3364 E HA -0.258 4.092 4.350 0.000 0.000 0.199 3364 E C 1.682 178.260 176.600 -0.036 0.000 1.011 3364 E CA 2.052 58.432 56.400 -0.034 0.000 0.815 3364 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 3364 E HN 0.768 nan 8.360 nan 0.000 0.451 3365 N N -0.125 118.550 118.700 -0.042 0.000 2.467 3365 N HA 0.014 4.754 4.740 0.000 0.000 0.184 3365 N C 1.076 176.554 175.510 -0.054 0.000 1.106 3365 N CA 1.055 54.079 53.050 -0.044 0.000 0.892 3365 N CB -0.195 38.266 38.487 -0.044 0.000 0.969 3365 N HN 0.189 nan 8.380 nan 0.000 0.454 3366 A N -0.225 122.557 122.820 -0.065 0.000 2.208 3366 A HA 0.480 4.800 4.320 0.000 0.000 0.209 3366 A C 1.626 179.177 177.584 -0.054 0.000 1.161 3366 A CA 0.467 52.457 52.037 -0.078 0.000 0.782 3366 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 3366 A HN 0.615 nan 8.150 nan 0.000 0.477 3367 G N -1.627 107.149 108.800 -0.040 0.000 2.132 3367 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 3367 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 3367 G C -0.169 174.717 174.900 -0.023 0.000 0.989 3367 G CA 0.197 45.281 45.100 -0.028 0.000 0.676 3367 G HN 0.278 nan 8.290 nan 0.000 0.522 3368 L N 0.790 121.997 121.223 -0.027 0.000 2.344 3368 L HA 0.517 4.857 4.340 0.000 0.000 0.272 3368 L C 0.285 177.143 176.870 -0.019 0.000 1.035 3368 L CA -0.846 53.981 54.840 -0.021 0.000 0.807 3368 L CB 1.367 43.412 42.059 -0.023 0.000 1.237 3368 L HN 0.211 nan 8.230 nan 0.000 0.442 3369 D N 1.425 121.817 120.400 -0.014 0.000 2.346 3369 D HA 0.112 4.752 4.640 0.000 0.000 0.260 3369 D C 0.829 177.120 176.300 -0.015 0.000 1.252 3369 D CA 0.113 54.105 54.000 -0.013 0.000 0.895 3369 D CB 1.601 42.395 40.800 -0.009 0.000 1.097 3369 D HN 0.642 nan 8.370 nan 0.000 0.489 3370 A N 5.458 128.268 122.820 -0.017 0.000 1.908 3370 A HA -0.192 4.128 4.320 0.000 0.000 0.218 3370 A C 2.139 179.714 177.584 -0.016 0.000 1.181 3370 A CA 0.880 52.906 52.037 -0.019 0.000 0.627 3370 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 3370 A HN 0.710 nan 8.150 nan 0.000 0.445 3371 I N -0.256 120.306 120.570 -0.013 0.000 2.163 3371 I HA -0.201 3.970 4.170 0.000 0.000 0.240 3371 I C 2.476 178.588 176.117 -0.007 0.000 1.081 3371 I CA 1.859 63.153 61.300 -0.010 0.000 1.353 3371 I CB -1.517 36.477 38.000 -0.009 0.000 1.054 3371 I HN 0.572 nan 8.210 nan 0.000 0.407 3372 E N 0.937 121.133 120.200 -0.006 0.000 2.077 3372 E HA -0.207 4.143 4.350 0.000 0.000 0.193 3372 E C 2.313 178.912 176.600 -0.002 0.000 0.989 3372 E CA 1.122 57.520 56.400 -0.003 0.000 0.800 3372 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 3372 E HN 0.238 nan 8.360 nan 0.000 0.452 3373 I N 0.859 121.426 120.570 -0.005 0.000 2.202 3373 I HA -0.234 3.936 4.170 0.000 0.000 0.242 3373 I C 2.398 178.513 176.117 -0.003 0.000 1.091 3373 I CA 0.806 62.104 61.300 -0.003 0.000 1.368 3373 I CB -0.963 37.032 38.000 -0.008 0.000 1.058 3373 I HN 0.244 nan 8.210 nan 0.000 0.410 3374 L N 0.138 121.356 121.223 -0.008 0.000 2.083 3374 L HA -0.147 4.193 4.340 0.000 0.000 0.209 3374 L C 2.574 179.443 176.870 -0.003 0.000 1.083 3374 L CA 1.267 56.101 54.840 -0.010 0.000 0.752 3374 L CB -1.002 41.048 42.059 -0.016 0.000 0.899 3374 L HN -0.001 nan 8.230 nan 0.000 0.433 3375 V N -0.824 119.090 119.914 -0.000 0.000 2.358 3375 V HA -0.272 3.848 4.120 0.000 0.000 0.246 3375 V C 2.422 178.523 176.094 0.011 0.000 1.047 3375 V CA 1.565 63.868 62.300 0.004 0.000 1.035 3375 V CB -0.492 31.333 31.823 0.003 0.000 0.658 3375 V HN 0.427 nan 8.190 nan 0.000 0.452 3376 K N -0.411 119.995 120.400 0.010 0.000 2.097 3376 K HA -0.075 4.245 4.320 0.000 0.000 0.205 3376 K C 2.018 178.632 176.600 0.023 0.000 1.050 3376 K CA 1.111 57.407 56.287 0.015 0.000 0.938 3376 K CB -0.202 32.305 32.500 0.012 0.000 0.718 3376 K HN 0.324 nan 8.250 nan 0.000 0.442 3377 V N 1.152 121.080 119.914 0.022 0.000 2.346 3377 V HA -0.163 3.957 4.120 0.000 0.000 0.244 3377 V C 2.134 178.258 176.094 0.051 0.000 1.037 3377 V CA 1.451 63.770 62.300 0.033 0.000 1.029 3377 V CB -0.387 31.446 31.823 0.017 0.000 0.663 3377 V HN 0.230 nan 8.190 nan 0.000 0.454 3378 R N 0.381 120.899 120.500 0.030 0.000 2.096 3378 R HA -0.104 4.236 4.340 0.000 0.000 0.235 3378 R C 2.410 178.753 176.300 0.071 0.000 1.127 3378 R CA 1.477 57.598 56.100 0.035 0.000 0.968 3378 R CB -0.587 29.716 30.300 0.006 0.000 0.861 3378 R HN 0.530 nan 8.270 nan 0.000 0.440 3379 A N 1.258 124.108 122.820 0.050 0.000 1.898 3379 A HA -0.069 4.251 4.320 0.000 0.000 0.216 3379 A C 2.376 179.992 177.584 0.054 0.000 1.181 3379 A CA 1.538 53.603 52.037 0.047 0.000 0.620 3379 A CB -0.606 18.411 19.000 0.029 0.000 0.819 3379 A HN 0.382 nan 8.150 nan 0.000 0.442 3380 A N -1.184 121.670 122.820 0.057 0.000 1.933 3380 A HA -0.223 4.097 4.320 0.000 0.000 0.218 3380 A C 2.137 179.758 177.584 0.062 0.000 1.175 3380 A CA 1.775 53.842 52.037 0.049 0.000 0.628 3380 A CB -0.913 18.115 19.000 0.047 0.000 0.814 3380 A HN 0.766 nan 8.150 nan 0.000 0.444 3381 H N 0.014 119.087 119.070 0.004 0.000 2.299 3381 H HA -0.047 4.509 4.556 0.000 0.000 0.302 3381 H C 2.330 177.661 175.328 0.004 0.000 1.078 3381 H CA 1.771 57.822 56.048 0.004 0.000 1.323 3381 H CB -0.283 29.482 29.762 0.005 0.000 1.381 3381 H HN 0.390 nan 8.280 nan 0.000 0.498 3382 A N 0.014 122.902 122.820 0.112 0.000 1.940 3382 A HA -0.179 4.142 4.320 0.000 0.000 0.219 3382 A C 2.776 180.346 177.584 -0.023 0.000 1.176 3382 A CA 2.100 54.168 52.037 0.052 0.000 0.631 3382 A CB -0.827 18.223 19.000 0.083 0.000 0.814 3382 A HN 0.518 nan 8.150 nan 0.000 0.446 3383 S N -0.652 115.037 115.700 -0.017 0.000 2.341 3383 S HA -0.068 4.402 4.470 0.000 0.000 0.216 3383 S C 1.860 176.432 174.600 -0.047 0.000 1.034 3383 S CA 0.967 59.153 58.200 -0.023 0.000 0.964 3383 S CB -0.386 62.810 63.200 -0.006 0.000 0.882 3383 S HN 0.640 nan 8.310 nan 0.000 0.469 3384 N N 0.985 119.652 118.700 -0.055 0.000 2.416 3384 N HA 0.213 4.953 4.740 0.000 0.000 0.177 3384 N C 1.043 176.494 175.510 -0.098 0.000 1.036 3384 N CA 0.941 53.957 53.050 -0.058 0.000 0.901 3384 N CB 0.462 38.929 38.487 -0.033 0.000 0.976 3384 N HN 0.595 nan 8.380 nan 0.000 0.444 3385 G N 0.651 109.338 108.800 -0.189 0.000 2.352 3385 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 3385 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 3385 G C -0.112 174.549 174.900 -0.399 0.000 1.249 3385 G CA -0.191 44.754 45.100 -0.258 0.000 1.053 3385 G HN 0.242 nan 8.290 nan 0.000 0.492 3386 N N -0.274 118.281 118.700 -0.242 0.000 2.368 3386 N HA 0.095 4.835 4.740 0.000 0.000 0.176 3386 N C 1.616 177.144 175.510 0.030 0.000 1.021 3386 N CA 0.913 53.909 53.050 -0.090 0.000 0.888 3386 N CB 0.108 38.598 38.487 0.006 0.000 0.995 3386 N HN 0.281 nan 8.380 nan 0.000 0.437 3387 K N -0.209 120.189 120.400 -0.005 0.000 2.374 3387 K HA 0.272 4.592 4.320 0.000 0.000 0.196 3387 K C -0.647 175.962 176.600 0.015 0.000 1.023 3387 K CA 0.147 56.444 56.287 0.016 0.000 1.103 3387 K CB 0.546 33.049 32.500 0.005 0.000 0.848 3387 K HN 0.115 nan 8.250 nan 0.000 0.528 3388 C N 1.004 120.304 119.300 0.001 0.000 3.094 3388 C HA 0.817 5.277 4.460 0.000 0.000 0.262 3388 C C 0.350 175.356 174.990 0.027 0.000 1.459 3388 C CA -0.723 58.297 59.018 0.003 0.000 1.570 3388 C CB -1.223 26.502 27.740 -0.024 0.000 2.056 3388 C HN 0.467 nan 8.230 nan 0.000 0.499 3389 A N 0.479 123.338 122.820 0.064 0.000 5.650 3389 A HA 0.952 5.272 4.320 0.000 0.000 0.194 3389 A C 0.232 177.860 177.584 0.075 0.000 0.895 3389 A CA 0.396 52.487 52.037 0.091 0.000 0.804 3389 A CB -0.452 18.655 19.000 0.178 0.000 2.103 3389 A HN 2.020 nan 8.150 nan 0.000 1.022 3390 G N -1.920 106.923 108.800 0.071 0.000 2.888 3390 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 3390 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 3390 G C -0.832 174.088 174.900 0.033 0.000 1.461 3390 G CA -0.070 45.055 45.100 0.041 0.000 0.897 3390 G HN 1.440 nan 8.290 nan 0.000 0.547 3391 L N 0.510 121.744 121.223 0.020 0.000 2.292 3391 L HA 0.497 4.837 4.340 0.000 0.000 0.284 3391 L C 0.577 177.464 176.870 0.027 0.000 1.065 3391 L CA -0.454 54.393 54.840 0.013 0.000 0.806 3391 L CB 1.611 43.664 42.059 -0.010 0.000 1.175 3391 L HN 0.626 nan 8.230 nan 0.000 0.431 3392 N N 1.206 119.930 118.700 0.040 0.000 2.699 3392 N HA 0.211 4.951 4.740 0.000 0.000 0.232 3392 N C 0.842 176.378 175.510 0.042 0.000 1.027 3392 N CA -0.360 52.738 53.050 0.080 0.000 0.920 3392 N CB 0.962 39.512 38.487 0.105 0.000 1.148 3392 N HN 0.445 nan 8.380 nan 0.000 0.509 3393 V N 0.783 120.668 119.914 -0.048 0.000 2.913 3393 V HA -0.033 4.087 4.120 0.000 0.000 0.260 3393 V C 1.439 177.424 176.094 -0.181 0.000 1.098 3393 V CA 1.228 63.436 62.300 -0.153 0.000 1.121 3393 V CB -1.201 30.463 31.823 -0.265 0.000 0.714 3393 V HN 0.409 nan 8.190 nan 0.000 0.487 3394 F N 2.506 122.456 119.950 0.001 0.000 2.206 3394 F HA -0.055 4.472 4.527 0.000 0.000 0.298 3394 F C 2.728 178.529 175.800 0.002 0.000 1.090 3394 F CA 1.863 59.864 58.000 0.002 0.000 1.323 3394 F CB -0.386 38.615 39.000 0.002 0.000 1.028 3394 F HN 0.366 nan 8.300 nan 0.000 0.492 3395 T N -3.770 110.891 114.554 0.179 0.000 3.022 3395 T HA 0.363 4.713 4.350 0.000 0.000 0.250 3395 T C 1.437 176.168 174.700 0.052 0.000 1.060 3395 T CA 0.421 62.578 62.100 0.096 0.000 1.013 3395 T CB 0.270 69.185 68.868 0.079 0.000 0.982 3395 T HN 0.376 nan 8.240 nan 0.000 0.508 3396 G N 1.057 109.879 108.800 0.037 0.000 2.291 3396 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 3396 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 3396 G C 0.036 174.943 174.900 0.012 0.000 1.099 3396 G CA -0.230 44.875 45.100 0.008 0.000 0.919 3396 G HN 1.394 nan 8.290 nan 0.000 0.496 3397 A N -1.508 121.324 122.820 0.020 0.000 2.601 3397 A HA 0.903 5.223 4.320 0.000 0.000 0.291 3397 A C 0.036 177.634 177.584 0.024 0.000 1.075 3397 A CA 0.110 52.159 52.037 0.020 0.000 0.671 3397 A CB 1.397 20.411 19.000 0.023 0.000 1.277 3397 A HN 1.818 nan 8.150 nan 0.000 0.417 3398 V N 1.418 121.345 119.914 0.022 0.000 2.673 3398 V HA 0.451 4.571 4.120 0.000 0.000 0.303 3398 V C -0.041 176.072 176.094 0.032 0.000 1.046 3398 V CA 0.935 63.251 62.300 0.027 0.000 1.126 3398 V CB 0.516 32.355 31.823 0.026 0.000 0.934 3398 V HN 0.908 nan 8.190 nan 0.000 0.487 3399 E N 3.615 123.837 120.200 0.037 0.000 2.350 3399 E HA 0.448 4.798 4.350 0.000 0.000 0.243 3399 E C -1.649 174.973 176.600 0.037 0.000 0.959 3399 E CA -0.716 55.706 56.400 0.037 0.000 0.883 3399 E CB 0.865 30.592 29.700 0.044 0.000 1.820 3399 E HN 0.659 nan 8.360 nan 0.000 0.441 3400 D N 1.401 121.821 120.400 0.033 0.000 2.427 3400 D HA 0.234 4.874 4.640 0.000 0.000 0.226 3400 D C 1.085 177.407 176.300 0.035 0.000 1.076 3400 D CA -0.304 53.714 54.000 0.030 0.000 0.849 3400 D CB 1.021 41.833 40.800 0.019 0.000 1.052 3400 D HN 0.162 nan 8.370 nan 0.000 0.515 3401 M N 0.387 120.012 119.600 0.043 0.000 2.099 3401 M HA -0.123 4.357 4.480 0.000 0.000 0.262 3401 M C 2.286 178.607 176.300 0.036 0.000 1.067 3401 M CA 0.886 56.214 55.300 0.047 0.000 1.124 3401 M CB -0.827 31.803 32.600 0.051 0.000 1.353 3401 M HN 0.502 nan 8.290 nan 0.000 0.410 3402 C N 0.701 120.019 119.300 0.031 0.000 2.429 3402 C HA -0.162 4.298 4.460 0.000 0.000 0.277 3402 C C 2.707 177.706 174.990 0.015 0.000 1.262 3402 C CA 1.346 60.377 59.018 0.022 0.000 1.733 3402 C CB -0.930 26.822 27.740 0.020 0.000 2.010 3402 C HN 0.633 nan 8.230 nan 0.000 0.483 3403 E N 0.130 120.338 120.200 0.014 0.000 2.118 3403 E HA -0.202 4.148 4.350 0.000 0.000 0.195 3403 E C 1.206 177.809 176.600 0.005 0.000 0.992 3403 E CA 1.355 57.759 56.400 0.008 0.000 0.804 3403 E CB -0.144 29.561 29.700 0.008 0.000 0.741 3403 E HN 0.630 nan 8.360 nan 0.000 0.458 3404 N N -0.528 118.178 118.700 0.011 0.000 2.398 3404 N HA 0.041 4.781 4.740 0.000 0.000 0.188 3404 N C 0.591 176.100 175.510 -0.002 0.000 1.122 3404 N CA 0.910 53.962 53.050 0.003 0.000 0.866 3404 N CB 0.946 39.442 38.487 0.015 0.000 0.970 3404 N HN 0.320 nan 8.380 nan 0.000 0.462 3405 G N 0.150 108.953 108.800 0.005 0.000 2.160 3405 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 3405 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 3405 G C -0.075 174.835 174.900 0.017 0.000 1.008 3405 G CA 0.150 45.253 45.100 0.005 0.000 0.724 3405 G HN 0.196 nan 8.290 nan 0.000 0.514 3406 V N 1.380 121.314 119.914 0.034 0.000 2.222 3406 V HA 0.482 4.602 4.120 0.000 0.000 0.253 3406 V C 0.790 176.912 176.094 0.047 0.000 1.210 3406 V CA 0.111 62.446 62.300 0.058 0.000 1.079 3406 V CB 0.492 32.368 31.823 0.088 0.000 1.265 3406 V HN 1.022 nan 8.190 nan 0.000 0.494 3407 V N 1.230 121.167 119.914 0.038 0.000 2.876 3407 V HA 0.795 4.915 4.120 0.000 0.000 0.312 3407 V C -0.703 175.409 176.094 0.029 0.000 1.085 3407 V CA -0.820 61.499 62.300 0.031 0.000 0.945 3407 V CB 2.485 34.321 31.823 0.023 0.000 1.017 3407 V HN 0.625 nan 8.190 nan 0.000 0.428 3408 E N 2.857 123.072 120.200 0.025 0.000 2.317 3408 E HA 0.533 4.883 4.350 0.000 0.000 0.270 3408 E C -2.972 173.639 176.600 0.018 0.000 0.885 3408 E CA -2.264 54.149 56.400 0.022 0.000 0.760 3408 E CB 2.743 32.456 29.700 0.021 0.000 1.227 3408 E HN 0.549 nan 8.360 nan 0.000 0.434 3409 P HA -0.098 nan 4.420 nan 0.000 0.266 3409 P C 0.506 177.815 177.300 0.014 0.000 1.193 3409 P CA -0.100 63.009 63.100 0.014 0.000 0.770 3409 P CB 0.529 32.236 31.700 0.013 0.000 0.836 3410 L N 4.076 125.307 121.223 0.014 0.000 2.042 3410 L HA -0.172 4.168 4.340 0.000 0.000 0.210 3410 L C 2.345 179.224 176.870 0.014 0.000 1.076 3410 L CA 1.868 56.717 54.840 0.014 0.000 0.749 3410 L CB -0.840 41.227 42.059 0.013 0.000 0.893 3410 L HN 0.308 nan 8.230 nan 0.000 0.432 3411 R N -0.967 119.541 120.500 0.013 0.000 2.105 3411 R HA -0.151 4.189 4.340 0.000 0.000 0.239 3411 R C 2.045 178.354 176.300 0.014 0.000 1.135 3411 R CA 1.795 57.903 56.100 0.013 0.000 0.967 3411 R CB -0.300 30.007 30.300 0.012 0.000 0.861 3411 R HN 0.395 nan 8.270 nan 0.000 0.442 3412 V N 1.440 121.362 119.914 0.014 0.000 2.255 3412 V HA -0.275 3.845 4.120 0.000 0.000 0.247 3412 V C 2.286 178.388 176.094 0.014 0.000 1.051 3412 V CA 1.876 64.184 62.300 0.013 0.000 1.018 3412 V CB -0.358 31.473 31.823 0.013 0.000 0.641 3412 V HN 0.292 nan 8.190 nan 0.000 0.445 3413 K N -0.391 120.018 120.400 0.015 0.000 2.167 3413 K HA -0.008 4.312 4.320 0.000 0.000 0.203 3413 K C 2.176 178.790 176.600 0.023 0.000 1.052 3413 K CA 1.292 57.589 56.287 0.016 0.000 0.956 3413 K CB -0.657 31.852 32.500 0.015 0.000 0.735 3413 K HN 0.494 nan 8.250 nan 0.000 0.451 3414 T N 1.373 115.941 114.554 0.023 0.000 2.812 3414 T HA -0.133 4.217 4.350 0.000 0.000 0.264 3414 T C 1.911 176.630 174.700 0.031 0.000 1.042 3414 T CA 1.290 63.406 62.100 0.028 0.000 1.140 3414 T CB -0.033 68.848 68.868 0.022 0.000 0.870 3414 T HN 0.121 nan 8.240 nan 0.000 0.445 3415 Q N 1.320 121.135 119.800 0.025 0.000 2.123 3415 Q HA 0.171 4.511 4.340 0.000 0.000 0.199 3415 Q C 2.247 178.264 176.000 0.028 0.000 0.966 3415 Q CA 1.520 57.338 55.803 0.025 0.000 0.845 3415 Q CB -0.668 28.081 28.738 0.019 0.000 0.907 3415 Q HN 0.471 nan 8.270 nan 0.000 0.439 3416 A N 0.522 123.356 122.820 0.024 0.000 1.883 3416 A HA -0.155 4.165 4.320 0.000 0.000 0.217 3416 A C 1.938 179.541 177.584 0.030 0.000 1.186 3416 A CA 1.592 53.641 52.037 0.020 0.000 0.624 3416 A CB -0.678 18.328 19.000 0.011 0.000 0.822 3416 A HN 0.443 nan 8.150 nan 0.000 0.444 3417 I N -0.372 120.224 120.570 0.044 0.000 2.252 3417 I HA -0.177 3.993 4.170 0.000 0.000 0.245 3417 I C 2.661 178.838 176.117 0.101 0.000 1.102 3417 I CA 1.158 62.506 61.300 0.081 0.000 1.385 3417 I CB -1.429 36.633 38.000 0.103 0.000 1.064 3417 I HN 0.361 nan 8.210 nan 0.000 0.414 3418 Q N 0.705 120.549 119.800 0.074 0.000 2.002 3418 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 3418 Q C 2.505 178.546 176.000 0.067 0.000 0.988 3418 Q CA 1.882 57.727 55.803 0.069 0.000 0.843 3418 Q CB -0.550 28.216 28.738 0.047 0.000 0.908 3418 Q HN 0.387 nan 8.270 nan 0.000 0.420 3419 S N 0.823 116.553 115.700 0.051 0.000 2.356 3419 S HA -0.132 4.338 4.470 0.000 0.000 0.223 3419 S C 1.945 176.576 174.600 0.052 0.000 1.032 3419 S CA 1.152 59.379 58.200 0.044 0.000 1.005 3419 S CB -0.277 62.941 63.200 0.031 0.000 0.867 3419 S HN 0.517 nan 8.310 nan 0.000 0.449 3420 A N 1.397 124.249 122.820 0.054 0.000 1.873 3420 A HA 0.165 4.485 4.320 0.000 0.000 0.215 3420 A C 2.332 179.973 177.584 0.095 0.000 1.186 3420 A CA 1.708 53.776 52.037 0.051 0.000 0.616 3420 A CB -1.071 17.943 19.000 0.023 0.000 0.823 3420 A HN 0.515 nan 8.150 nan 0.000 0.442 3421 A N -0.693 122.220 122.820 0.154 0.000 1.898 3421 A HA -0.025 4.295 4.320 0.000 0.000 0.214 3421 A C 1.961 179.674 177.584 0.216 0.000 1.183 3421 A CA 1.910 54.120 52.037 0.288 0.000 0.622 3421 A CB -0.394 18.874 19.000 0.446 0.000 0.824 3421 A HN 0.489 nan 8.150 nan 0.000 0.444 3422 E N 0.070 120.354 120.200 0.139 0.000 2.150 3422 E HA -0.112 4.238 4.350 0.000 0.000 0.193 3422 E C 2.135 178.779 176.600 0.074 0.000 0.985 3422 E CA 1.357 57.815 56.400 0.096 0.000 0.814 3422 E CB -0.328 29.413 29.700 0.069 0.000 0.752 3422 E HN 0.458 nan 8.360 nan 0.000 0.466 3423 S N -1.303 114.438 115.700 0.068 0.000 2.368 3423 S HA -0.131 4.339 4.470 0.000 0.000 0.224 3423 S C 1.898 176.523 174.600 0.041 0.000 1.029 3423 S CA 1.762 59.990 58.200 0.047 0.000 0.988 3423 S CB -0.541 62.682 63.200 0.039 0.000 0.838 3423 S HN 0.421 nan 8.310 nan 0.000 0.462 3424 T N 1.832 116.424 114.554 0.063 0.000 2.674 3424 T HA -0.082 4.268 4.350 0.000 0.000 0.265 3424 T C 1.841 176.543 174.700 0.003 0.000 1.039 3424 T CA 1.401 63.524 62.100 0.039 0.000 1.150 3424 T CB -0.491 68.446 68.868 0.115 0.000 0.864 3424 T HN 0.426 nan 8.240 nan 0.000 0.427 3425 E N 0.798 121.039 120.200 0.068 0.000 2.153 3425 E HA -0.122 4.228 4.350 0.000 0.000 0.194 3425 E C 2.117 178.727 176.600 0.017 0.000 0.988 3425 E CA 0.828 57.256 56.400 0.047 0.000 0.811 3425 E CB -0.237 29.528 29.700 0.108 0.000 0.746 3425 E HN 0.502 nan 8.360 nan 0.000 0.466 3426 M N -0.174 119.441 119.600 0.024 0.000 2.099 3426 M HA -0.176 4.304 4.480 0.000 0.000 0.262 3426 M C 1.879 178.180 176.300 0.001 0.000 1.067 3426 M CA 1.057 56.367 55.300 0.016 0.000 1.124 3426 M CB 0.009 32.623 32.600 0.022 0.000 1.353 3426 M HN 0.097 nan 8.290 nan 0.000 0.410 3427 L N 0.757 121.976 121.223 -0.005 0.000 2.201 3427 L HA -0.102 4.238 4.340 0.000 0.000 0.212 3427 L C 2.149 178.997 176.870 -0.035 0.000 1.105 3427 L CA 1.496 56.328 54.840 -0.013 0.000 0.775 3427 L CB -1.066 40.985 42.059 -0.014 0.000 0.913 3427 L HN 0.388 nan 8.230 nan 0.000 0.440 3428 L N -1.269 119.916 121.223 -0.063 0.000 2.265 3428 L HA -0.190 4.150 4.340 0.000 0.000 0.215 3428 L C 2.501 179.339 176.870 -0.053 0.000 1.117 3428 L CA 0.845 55.631 54.840 -0.091 0.000 0.782 3428 L CB -0.360 41.606 42.059 -0.155 0.000 0.914 3428 L HN 0.233 nan 8.230 nan 0.000 0.441 3429 R N -0.368 120.117 120.500 -0.026 0.000 2.153 3429 R HA 0.013 4.353 4.340 0.000 0.000 0.218 3429 R C 0.183 176.480 176.300 -0.005 0.000 1.072 3429 R CA 0.371 56.467 56.100 -0.007 0.000 0.990 3429 R CB -0.051 30.251 30.300 0.004 0.000 0.889 3429 R HN 0.123 nan 8.270 nan 0.000 0.452 3430 I N 1.424 121.990 120.570 -0.006 0.000 2.396 3430 I HA -0.036 4.134 4.170 0.000 0.000 0.289 3430 I C 0.470 176.586 176.117 -0.001 0.000 1.056 3430 I CA 0.510 61.811 61.300 0.002 0.000 1.365 3430 I CB 1.156 39.162 38.000 0.009 0.000 1.407 3430 I HN -0.102 nan 8.210 nan 0.000 0.509 3431 D N 3.543 123.945 120.400 0.003 0.000 2.535 3431 D HA 0.138 4.778 4.640 0.000 0.000 0.229 3431 D C -0.909 175.400 176.300 0.015 0.000 1.238 3431 D CA 0.144 54.146 54.000 0.003 0.000 0.824 3431 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 3431 D HN 0.446 nan 8.370 nan 0.000 0.500 3432 D N -0.258 120.153 120.400 0.019 0.000 2.931 3432 D HA 0.207 4.847 4.640 0.000 0.000 0.215 3432 D C -1.480 174.830 176.300 0.017 0.000 1.297 3432 D CA -0.438 53.575 54.000 0.021 0.000 0.892 3432 D CB 1.883 42.691 40.800 0.014 0.000 1.642 3432 D HN -0.256 nan 8.370 nan 0.000 0.560 3433 V N 4.982 124.907 119.914 0.019 0.000 2.378 3433 V HA 0.527 4.647 4.120 0.000 0.000 0.288 3433 V C 0.139 176.226 176.094 -0.011 0.000 1.016 3433 V CA -0.547 61.752 62.300 -0.002 0.000 0.840 3433 V CB 1.370 33.185 31.823 -0.013 0.000 0.994 3433 V HN 0.489 nan 8.190 nan 0.000 0.431 3434 I N 4.518 125.077 120.570 -0.018 0.000 2.411 3434 I HA 0.688 4.858 4.170 0.000 0.000 0.284 3434 I C 0.238 176.339 176.117 -0.027 0.000 1.012 3434 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 3434 I CB 1.744 39.737 38.000 -0.011 0.000 1.261 3434 I HN 0.647 nan 8.210 nan 0.000 0.448 3435 A N 5.119 127.920 122.820 -0.032 0.000 2.304 3435 A HA 0.861 5.181 4.320 0.000 0.000 0.323 3435 A C 0.161 177.731 177.584 -0.024 0.000 1.195 3435 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 3435 A CB 1.066 20.036 19.000 -0.049 0.000 1.184 3435 A HN 0.775 nan 8.150 nan 0.000 0.496 3436 A N 2.396 125.204 122.820 -0.020 0.000 2.386 3436 A HA 0.476 4.796 4.320 0.000 0.000 0.248 3436 A C 0.454 178.030 177.584 -0.015 0.000 1.082 3436 A CA -0.196 51.832 52.037 -0.015 0.000 0.789 3436 A CB 0.010 19.003 19.000 -0.012 0.000 1.025 3436 A HN 0.875 nan 8.150 nan 0.000 0.490 3437 E N 0.000 120.193 120.200 -0.012 0.000 2.725 3437 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3437 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 3437 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 3437 E HN 0.000 nan 8.360 nan 0.000 0.440