REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izk_1_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 KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2947 V HA 0.000 nan 4.120 nan 0.000 0.244 2947 V C 0.000 176.088 176.094 -0.010 0.000 1.182 2947 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 2947 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 2948 L N 1.836 123.052 121.223 -0.012 0.000 2.352 2948 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 2948 L C -2.289 174.576 176.870 -0.009 0.000 1.034 2948 L CA -1.672 53.161 54.840 -0.010 0.000 0.806 2948 L CB 0.684 42.736 42.059 -0.012 0.000 1.244 2948 L HN 0.140 nan 8.230 nan 0.000 0.447 2949 P HA 0.011 nan 4.420 nan 0.000 0.265 2949 P C -0.657 176.641 177.300 -0.004 0.000 1.193 2949 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 2949 P CB 0.393 32.093 31.700 -0.001 0.000 0.823 2950 E N 2.897 123.095 120.200 -0.004 0.000 2.480 2950 E HA -0.051 4.298 4.350 -0.001 0.000 0.258 2950 E C 0.689 177.288 176.600 -0.001 0.000 0.984 2950 E CA 0.952 57.349 56.400 -0.005 0.000 0.930 2950 E CB -0.322 29.375 29.700 -0.005 0.000 0.936 2950 E HN 0.533 nan 8.360 nan 0.000 0.466 2951 N N 2.104 120.804 118.700 -0.000 0.000 2.879 2951 N HA -0.188 4.552 4.740 -0.001 0.000 0.156 2951 N C -0.658 174.860 175.510 0.014 0.000 1.554 2951 N CA 0.888 53.942 53.050 0.007 0.000 2.252 2951 N CB -1.205 37.288 38.487 0.010 0.000 1.232 2951 N HN 0.542 nan 8.380 nan 0.000 0.861 2952 M N 1.662 121.268 119.600 0.009 0.000 2.249 2952 M HA 0.319 4.799 4.480 -0.001 0.000 0.351 2952 M C -0.764 175.538 176.300 0.004 0.000 1.180 2952 M CA -0.096 55.214 55.300 0.017 0.000 1.127 2952 M CB 0.597 33.203 32.600 0.010 0.000 1.546 2952 M HN -0.046 nan 8.290 nan 0.000 0.461 2953 K N 4.162 124.576 120.400 0.024 0.000 2.267 2953 K HA 0.614 4.933 4.320 -0.001 0.000 0.246 2953 K C -1.005 175.571 176.600 -0.040 0.000 0.954 2953 K CA -0.759 55.505 56.287 -0.039 0.000 0.824 2953 K CB 1.852 34.341 32.500 -0.017 0.000 1.167 2953 K HN 0.674 nan 8.250 nan 0.000 0.431 2954 R N 1.574 121.950 120.500 -0.206 0.000 2.686 2954 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 2954 R C -0.906 175.166 176.300 -0.380 0.000 0.969 2954 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 2954 R CB 1.275 31.534 30.300 -0.067 0.000 1.183 2954 R HN 0.558 nan 8.270 nan 0.000 0.456 2955 Y N 2.425 122.741 120.300 0.026 0.000 2.536 2955 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 2955 Y C 0.583 176.496 175.900 0.022 0.000 1.000 2955 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 2955 Y CB 1.974 40.458 38.460 0.040 0.000 1.259 2955 Y HN 0.362 nan 8.280 nan 0.000 0.468 2956 M N 0.818 120.513 119.600 0.159 0.000 2.520 2956 M HA 0.784 5.264 4.480 -0.001 0.000 0.280 2956 M C 0.026 176.370 176.300 0.073 0.000 1.232 2956 M CA -0.240 55.113 55.300 0.089 0.000 0.892 2956 M CB 1.276 33.903 32.600 0.044 0.000 1.728 2956 M HN 0.891 nan 8.290 nan 0.000 0.475 2957 G N 2.728 111.558 108.800 0.050 0.000 2.561 2957 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 2957 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 2957 G C 0.672 175.590 174.900 0.031 0.000 1.169 2957 G CA 0.528 45.647 45.100 0.032 0.000 0.980 2957 G HN 0.842 nan 8.290 nan 0.000 0.550 2958 R N 1.081 121.595 120.500 0.023 0.000 2.152 2958 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 2958 R C 2.102 178.421 176.300 0.032 0.000 1.117 2958 R CA 1.784 57.894 56.100 0.015 0.000 0.981 2958 R CB -0.794 29.510 30.300 0.007 0.000 0.870 2958 R HN 0.611 nan 8.270 nan 0.000 0.451 2959 D N 0.494 120.937 120.400 0.071 0.000 2.224 2959 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 2959 D C 1.692 178.057 176.300 0.109 0.000 0.965 2959 D CA 1.156 55.231 54.000 0.125 0.000 0.852 2959 D CB -0.035 40.909 40.800 0.240 0.000 0.947 2959 D HN 0.169 nan 8.370 nan 0.000 0.494 2960 A N 0.655 123.539 122.820 0.108 0.000 1.929 2960 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 2960 A C 2.092 179.694 177.584 0.030 0.000 1.176 2960 A CA 0.991 53.085 52.037 0.094 0.000 0.628 2960 A CB -0.205 18.850 19.000 0.092 0.000 0.816 2960 A HN 0.036 nan 8.150 nan 0.000 0.444 2961 Q N -0.445 119.362 119.800 0.012 0.000 2.016 2961 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 2961 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 2961 Q CA 1.892 57.688 55.803 -0.012 0.000 0.833 2961 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 2961 Q HN 0.630 nan 8.270 nan 0.000 0.427 2962 R N 0.916 121.385 120.500 -0.051 0.000 2.075 2962 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 2962 R C 2.183 178.387 176.300 -0.161 0.000 1.126 2962 R CA 1.523 57.572 56.100 -0.085 0.000 0.963 2962 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 2962 R HN 0.306 nan 8.270 nan 0.000 0.435 2963 M N 0.296 119.760 119.600 -0.227 0.000 2.082 2963 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 2963 M C 1.019 177.151 176.300 -0.280 0.000 1.069 2963 M CA 2.104 57.189 55.300 -0.359 0.000 1.102 2963 M CB -0.264 32.098 32.600 -0.395 0.000 1.336 2963 M HN 0.178 nan 8.290 nan 0.000 0.404 2964 N N 0.755 119.355 118.700 -0.165 0.000 2.188 2964 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 2964 N C 1.655 177.072 175.510 -0.155 0.000 1.018 2964 N CA 1.364 54.319 53.050 -0.159 0.000 0.858 2964 N CB -0.428 38.039 38.487 -0.032 0.000 0.989 2964 N HN 0.395 nan 8.380 nan 0.000 0.426 2965 I N 0.548 121.049 120.570 -0.115 0.000 2.315 2965 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 2965 I C 1.850 177.899 176.117 -0.114 0.000 1.117 2965 I CA 0.683 61.930 61.300 -0.089 0.000 1.404 2965 I CB -0.830 37.133 38.000 -0.061 0.000 1.071 2965 I HN 0.053 nan 8.210 nan 0.000 0.419 2966 L N 0.998 122.130 121.223 -0.151 0.000 2.093 2966 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 2966 L C 2.722 179.488 176.870 -0.173 0.000 1.085 2966 L CA 1.811 56.559 54.840 -0.153 0.000 0.755 2966 L CB -1.338 40.614 42.059 -0.178 0.000 0.904 2966 L HN 0.168 nan 8.230 nan 0.000 0.435 2967 A N -0.549 122.114 122.820 -0.261 0.000 1.902 2967 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 2967 A C 2.405 179.887 177.584 -0.170 0.000 1.181 2967 A CA 1.701 53.562 52.037 -0.294 0.000 0.623 2967 A CB -1.280 17.355 19.000 -0.610 0.000 0.818 2967 A HN 0.432 nan 8.150 nan 0.000 0.443 2968 G N -0.718 107.997 108.800 -0.141 0.000 2.422 2968 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 2968 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 2968 G C 1.672 176.530 174.900 -0.069 0.000 1.140 2968 G CA 1.138 46.188 45.100 -0.083 0.000 0.775 2968 G HN 0.520 nan 8.290 nan 0.000 0.545 2969 R N 0.636 121.090 120.500 -0.078 0.000 2.092 2969 R HA 0.108 4.448 4.340 -0.001 0.000 0.231 2969 R C 2.400 178.665 176.300 -0.058 0.000 1.119 2969 R CA 0.986 57.048 56.100 -0.064 0.000 0.970 2969 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 2969 R HN 0.427 nan 8.270 nan 0.000 0.440 2970 I N 0.097 120.628 120.570 -0.066 0.000 2.163 2970 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 2970 I C 1.774 177.866 176.117 -0.041 0.000 1.085 2970 I CA 1.061 62.330 61.300 -0.052 0.000 1.347 2970 I CB -0.282 37.685 38.000 -0.056 0.000 1.044 2970 I HN 0.141 nan 8.210 nan 0.000 0.408 2971 I N 0.899 121.444 120.570 -0.042 0.000 2.233 2971 I HA -0.202 3.968 4.170 -0.001 0.000 0.243 2971 I C 2.873 178.971 176.117 -0.032 0.000 1.093 2971 I CA 1.596 62.877 61.300 -0.031 0.000 1.380 2971 I CB -1.613 36.371 38.000 -0.027 0.000 1.067 2971 I HN 0.167 nan 8.210 nan 0.000 0.413 2972 A N 0.442 123.240 122.820 -0.038 0.000 1.940 2972 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 2972 A C 2.281 179.843 177.584 -0.038 0.000 1.176 2972 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 2972 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 2972 A HN 0.407 nan 8.150 nan 0.000 0.446 2973 E N -0.494 119.684 120.200 -0.038 0.000 2.107 2973 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 2973 E C 2.014 178.595 176.600 -0.031 0.000 0.982 2973 E CA 1.777 58.156 56.400 -0.035 0.000 0.809 2973 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 2973 E HN 0.505 nan 8.360 nan 0.000 0.459 2974 T N 0.115 114.652 114.554 -0.029 0.000 2.746 2974 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 2974 T C 1.880 176.566 174.700 -0.025 0.000 1.039 2974 T CA 1.792 63.877 62.100 -0.025 0.000 1.142 2974 T CB -0.322 68.533 68.868 -0.022 0.000 0.866 2974 T HN 0.267 nan 8.240 nan 0.000 0.444 2975 V N 1.865 121.764 119.914 -0.026 0.000 2.649 2975 V HA 0.014 4.133 4.120 -0.001 0.000 0.248 2975 V C 2.347 178.423 176.094 -0.030 0.000 1.054 2975 V CA 1.309 63.593 62.300 -0.026 0.000 1.073 2975 V CB -0.891 30.918 31.823 -0.025 0.000 0.699 2975 V HN 0.480 nan 8.190 nan 0.000 0.463 2976 R N 2.695 123.175 120.500 -0.033 0.000 2.241 2976 R HA -0.062 4.278 4.340 -0.001 0.000 0.224 2976 R C 2.015 178.293 176.300 -0.037 0.000 1.101 2976 R CA 1.591 57.669 56.100 -0.038 0.000 0.995 2976 R CB -0.984 29.291 30.300 -0.041 0.000 0.870 2976 R HN 0.690 nan 8.270 nan 0.000 0.463 2977 S N 0.031 115.711 115.700 -0.033 0.000 2.522 2977 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 2977 S C 1.691 176.271 174.600 -0.033 0.000 0.986 2977 S CA 0.684 58.865 58.200 -0.033 0.000 0.929 2977 S CB 0.078 63.261 63.200 -0.029 0.000 0.769 2977 S HN 0.551 nan 8.310 nan 0.000 0.529 2978 T N -0.946 113.590 114.554 -0.031 0.000 3.069 2978 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 2978 T C 0.323 175.004 174.700 -0.033 0.000 1.053 2978 T CA -0.522 61.561 62.100 -0.029 0.000 0.964 2978 T CB -0.436 68.418 68.868 -0.023 0.000 1.005 2978 T HN 0.258 nan 8.240 nan 0.000 0.532 2979 L N 2.929 124.129 121.223 -0.038 0.000 2.462 2979 L HA 0.518 4.858 4.340 -0.001 0.000 0.272 2979 L C 0.703 177.542 176.870 -0.052 0.000 1.166 2979 L CA 1.609 56.424 54.840 -0.041 0.000 0.880 2979 L CB -0.753 41.279 42.059 -0.044 0.000 1.142 2979 L HN 0.698 nan 8.230 nan 0.000 0.473 2980 G N 4.399 113.169 108.800 -0.048 0.000 2.663 2980 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 2980 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 2980 G C -2.066 172.789 174.900 -0.075 0.000 1.288 2980 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 2980 G HN 0.552 nan 8.290 nan 0.000 0.584 2981 P HA 0.004 nan 4.420 nan 0.000 0.222 2981 P C 1.122 178.329 177.300 -0.155 0.000 1.147 2981 P CA 1.229 64.267 63.100 -0.103 0.000 0.790 2981 P CB 0.112 31.725 31.700 -0.145 0.000 0.780 2982 K N -0.210 120.061 120.400 -0.214 0.000 2.372 2982 K HA 0.272 4.591 4.320 -0.001 0.000 0.200 2982 K C 1.172 177.712 176.600 -0.100 0.000 1.022 2982 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 2982 K CB -0.111 32.261 32.500 -0.212 0.000 0.855 2982 K HN 0.067 nan 8.250 nan 0.000 0.524 2983 G N 0.227 108.977 108.800 -0.082 0.000 2.616 2983 G HA2 0.245 4.205 3.960 -0.001 0.000 0.268 2983 G HA3 0.245 4.205 3.960 -0.001 0.000 0.268 2983 G C 0.017 174.893 174.900 -0.041 0.000 1.213 2983 G CA -0.513 44.553 45.100 -0.057 0.000 0.926 2983 G HN -0.069 nan 8.290 nan 0.000 0.523 2984 M N -0.044 119.536 119.600 -0.034 0.000 2.531 2984 M HA 0.401 4.881 4.480 -0.001 0.000 0.262 2984 M C -0.232 176.056 176.300 -0.021 0.000 1.168 2984 M CA -0.678 54.606 55.300 -0.026 0.000 0.926 2984 M CB 1.117 33.702 32.600 -0.025 0.000 1.445 2984 M HN 0.726 nan 8.290 nan 0.000 0.531 2985 D N -0.590 119.799 120.400 -0.018 0.000 2.493 2985 D HA 0.562 5.201 4.640 -0.001 0.000 0.239 2985 D C -1.301 174.989 176.300 -0.017 0.000 1.049 2985 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 2985 D CB 1.271 42.063 40.800 -0.013 0.000 1.398 2985 D HN 0.116 nan 8.370 nan 0.000 0.513 2986 K N 0.346 120.737 120.400 -0.016 0.000 2.259 2986 K HA 0.396 4.716 4.320 -0.001 0.000 0.252 2986 K C -0.948 175.641 176.600 -0.017 0.000 0.936 2986 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 2986 K CB 1.969 34.461 32.500 -0.014 0.000 1.143 2986 K HN 0.677 nan 8.250 nan 0.000 0.427 2987 M N 4.061 123.650 119.600 -0.019 0.000 2.047 2987 M HA 0.253 4.732 4.480 -0.001 0.000 0.342 2987 M C -1.493 174.796 176.300 -0.017 0.000 1.058 2987 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 2987 M CB 0.366 32.950 32.600 -0.026 0.000 1.474 2987 M HN 0.347 nan 8.290 nan 0.000 0.419 2988 L N 6.055 127.269 121.223 -0.015 0.000 2.272 2988 L HA 0.522 4.861 4.340 -0.001 0.000 0.289 2988 L C -0.797 176.066 176.870 -0.011 0.000 1.032 2988 L CA -0.253 54.581 54.840 -0.011 0.000 0.810 2988 L CB 1.669 43.724 42.059 -0.008 0.000 1.205 2988 L HN 0.414 nan 8.230 nan 0.000 0.422 2989 V N 2.816 122.725 119.914 -0.009 0.000 2.407 2989 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 2989 V C -0.352 175.740 176.094 -0.004 0.000 1.018 2989 V CA -0.941 61.354 62.300 -0.009 0.000 0.842 2989 V CB 1.529 33.346 31.823 -0.010 0.000 0.996 2989 V HN 0.806 nan 8.190 nan 0.000 0.426 2990 D N 2.246 122.645 120.400 -0.002 0.000 2.478 2990 D HA 0.093 4.733 4.640 -0.001 0.000 0.269 2990 D C 0.888 177.188 176.300 0.000 0.000 1.232 2990 D CA -0.494 53.506 54.000 -0.000 0.000 1.059 2990 D CB 0.704 41.505 40.800 0.001 0.000 1.104 2990 D HN 0.400 nan 8.370 nan 0.000 0.566 2991 D N -1.740 118.660 120.400 0.001 0.000 2.264 2991 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 2991 D C 1.452 177.753 176.300 0.002 0.000 0.966 2991 D CA 0.623 54.624 54.000 0.002 0.000 0.864 2991 D CB 0.002 40.803 40.800 0.002 0.000 0.933 2991 D HN 0.185 nan 8.370 nan 0.000 0.499 2992 L N -1.005 120.220 121.223 0.003 0.000 2.558 2992 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 2992 L C 1.953 178.825 176.870 0.004 0.000 1.128 2992 L CA 0.911 55.754 54.840 0.004 0.000 0.868 2992 L CB 0.142 42.204 42.059 0.004 0.000 1.006 2992 L HN 0.255 nan 8.230 nan 0.000 0.454 2993 G N -1.322 107.479 108.800 0.003 0.000 2.179 2993 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 2993 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 2993 G C 0.243 175.145 174.900 0.002 0.000 0.990 2993 G CA 0.101 45.202 45.100 0.002 0.000 0.646 2993 G HN 0.322 nan 8.290 nan 0.000 0.517 2994 D N 1.165 121.567 120.400 0.003 0.000 2.382 2994 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 2994 D C 0.414 176.712 176.300 -0.003 0.000 1.224 2994 D CA 0.163 54.166 54.000 0.005 0.000 0.894 2994 D CB 1.099 41.903 40.800 0.008 0.000 1.127 2994 D HN 0.194 nan 8.370 nan 0.000 0.487 2995 V N 4.992 124.900 119.914 -0.009 0.000 2.347 2995 V HA 0.281 4.400 4.120 -0.001 0.000 0.280 2995 V C 0.128 176.204 176.094 -0.029 0.000 1.021 2995 V CA -0.794 61.491 62.300 -0.025 0.000 0.847 2995 V CB 1.582 33.380 31.823 -0.043 0.000 0.990 2995 V HN 0.334 nan 8.190 nan 0.000 0.444 2996 V N 6.042 125.943 119.914 -0.022 0.000 2.378 2996 V HA 0.450 4.569 4.120 -0.001 0.000 0.288 2996 V C -0.223 175.857 176.094 -0.022 0.000 1.016 2996 V CA -0.561 61.729 62.300 -0.017 0.000 0.840 2996 V CB 1.944 33.764 31.823 -0.004 0.000 0.994 2996 V HN 0.588 nan 8.190 nan 0.000 0.431 2997 V N 4.445 124.342 119.914 -0.029 0.000 2.357 2997 V HA 0.769 4.889 4.120 -0.001 0.000 0.284 2997 V C 0.103 176.188 176.094 -0.014 0.000 1.018 2997 V CA 0.019 62.302 62.300 -0.028 0.000 0.841 2997 V CB 1.588 33.385 31.823 -0.044 0.000 0.991 2997 V HN 0.976 nan 8.190 nan 0.000 0.437 2998 T N 2.640 117.188 114.554 -0.011 0.000 2.739 2998 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 2998 T C 0.128 174.824 174.700 -0.007 0.000 1.389 2998 T CA -0.360 61.737 62.100 -0.005 0.000 1.001 2998 T CB 2.058 70.926 68.868 -0.001 0.000 1.436 2998 T HN 0.602 nan 8.240 nan 0.000 0.500 2999 N N 0.327 119.025 118.700 -0.004 0.000 2.210 2999 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 2999 N C -0.779 174.727 175.510 -0.006 0.000 1.175 2999 N CA -0.020 53.026 53.050 -0.006 0.000 0.894 2999 N CB 0.445 38.929 38.487 -0.004 0.000 1.041 2999 N HN 0.552 nan 8.380 nan 0.000 0.506 3000 D N 0.357 120.755 120.400 -0.003 0.000 2.450 3000 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 3000 D C 1.282 177.579 176.300 -0.004 0.000 1.162 3000 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 3000 D CB 1.276 42.076 40.800 0.001 0.000 1.163 3000 D HN 0.290 nan 8.370 nan 0.000 0.472 3001 G N 1.658 110.454 108.800 -0.006 0.000 2.414 3001 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 3001 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 3001 G C 1.495 176.393 174.900 -0.005 0.000 1.188 3001 G CA 0.304 45.399 45.100 -0.008 0.000 0.783 3001 G HN 0.452 nan 8.290 nan 0.000 0.537 3002 V N 0.824 120.736 119.914 -0.003 0.000 2.515 3002 V HA -0.101 4.018 4.120 -0.001 0.000 0.250 3002 V C 2.969 179.063 176.094 0.000 0.000 1.058 3002 V CA 2.738 65.038 62.300 -0.001 0.000 1.064 3002 V CB -0.562 31.262 31.823 0.001 0.000 0.675 3002 V HN 0.400 nan 8.190 nan 0.000 0.461 3003 T N 0.566 115.120 114.554 0.000 0.000 2.777 3003 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 3003 T C 1.752 176.452 174.700 -0.000 0.000 1.040 3003 T CA 1.969 64.069 62.100 0.001 0.000 1.141 3003 T CB -0.257 68.612 68.868 0.001 0.000 0.868 3003 T HN 0.461 nan 8.240 nan 0.000 0.444 3004 I N 0.627 121.196 120.570 -0.002 0.000 2.208 3004 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 3004 I C 1.981 178.097 176.117 -0.002 0.000 1.097 3004 I CA 0.944 62.242 61.300 -0.003 0.000 1.363 3004 I CB -0.265 37.732 38.000 -0.006 0.000 1.051 3004 I HN 0.162 nan 8.210 nan 0.000 0.413 3005 L N 0.171 121.393 121.223 -0.001 0.000 2.217 3005 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 3005 L C 2.458 179.330 176.870 0.004 0.000 1.107 3005 L CA 1.560 56.400 54.840 0.001 0.000 0.783 3005 L CB -0.751 41.309 42.059 0.001 0.000 0.919 3005 L HN 0.104 nan 8.230 nan 0.000 0.442 3006 R N -1.071 119.431 120.500 0.003 0.000 2.100 3006 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 3006 R C 1.962 178.264 176.300 0.004 0.000 1.091 3006 R CA 0.660 56.762 56.100 0.004 0.000 0.986 3006 R CB 0.003 30.305 30.300 0.004 0.000 0.888 3006 R HN 0.273 nan 8.270 nan 0.000 0.444 3007 E N 0.986 121.187 120.200 0.003 0.000 2.086 3007 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 3007 E C 1.284 177.885 176.600 0.002 0.000 0.975 3007 E CA 0.561 56.962 56.400 0.002 0.000 0.813 3007 E CB -0.105 29.596 29.700 0.001 0.000 0.768 3007 E HN 0.333 nan 8.360 nan 0.000 0.457 3008 M N -0.209 119.392 119.600 0.002 0.000 2.184 3008 M HA 0.099 4.578 4.480 -0.001 0.000 0.296 3008 M C 0.518 176.821 176.300 0.005 0.000 1.165 3008 M CA 0.360 55.662 55.300 0.002 0.000 1.175 3008 M CB 0.478 33.079 32.600 0.001 0.000 1.392 3008 M HN -0.239 nan 8.290 nan 0.000 0.457 3009 S N 1.534 117.238 115.700 0.007 0.000 2.466 3009 S HA 0.490 4.960 4.470 -0.001 0.000 0.313 3009 S C -0.894 173.715 174.600 0.015 0.000 1.078 3009 S CA -0.805 57.401 58.200 0.010 0.000 1.115 3009 S CB -0.016 63.190 63.200 0.010 0.000 1.006 3009 S HN 0.508 nan 8.310 nan 0.000 0.487 3010 V N 5.731 125.656 119.914 0.018 0.000 2.439 3010 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 3010 V C 0.611 176.726 176.094 0.035 0.000 1.039 3010 V CA -0.405 61.912 62.300 0.028 0.000 0.913 3010 V CB 1.622 33.462 31.823 0.027 0.000 0.983 3010 V HN 0.793 nan 8.190 nan 0.000 0.460 3011 E N 1.147 121.378 120.200 0.052 0.000 2.228 3011 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 3011 E C 0.723 177.358 176.600 0.058 0.000 0.909 3011 E CA 0.112 56.539 56.400 0.046 0.000 0.911 3011 E CB -0.006 29.721 29.700 0.044 0.000 0.887 3011 E HN 0.693 nan 8.360 nan 0.000 0.481 3012 H N 2.738 121.812 119.070 0.006 0.000 2.886 3012 H HA 0.043 4.598 4.556 -0.001 0.000 0.329 3012 H C -1.712 173.618 175.328 0.005 0.000 1.044 3012 H CA -1.408 54.644 56.048 0.007 0.000 1.456 3012 H CB 1.526 31.288 29.762 -0.001 0.000 1.464 3012 H HN -0.206 nan 8.280 nan 0.000 0.573 3013 P HA -0.147 nan 4.420 nan 0.000 0.216 3013 P C 1.075 178.485 177.300 0.183 0.000 1.150 3013 P CA 2.025 65.159 63.100 0.058 0.000 0.843 3013 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 3014 A N 0.011 123.095 122.820 0.439 0.000 1.877 3014 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 3014 A C 2.329 179.962 177.584 0.082 0.000 1.186 3014 A CA 2.076 54.232 52.037 0.198 0.000 0.620 3014 A CB -1.566 17.460 19.000 0.043 0.000 0.822 3014 A HN 0.201 nan 8.150 nan 0.000 0.443 3015 A N -0.362 122.508 122.820 0.083 0.000 1.969 3015 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 3015 A C 2.078 179.688 177.584 0.043 0.000 1.169 3015 A CA 1.658 53.715 52.037 0.034 0.000 0.635 3015 A CB -0.359 18.657 19.000 0.027 0.000 0.810 3015 A HN 0.542 nan 8.150 nan 0.000 0.445 3016 K N -0.956 119.482 120.400 0.065 0.000 2.097 3016 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 3016 K C 1.857 178.477 176.600 0.035 0.000 1.050 3016 K CA 1.295 57.608 56.287 0.043 0.000 0.938 3016 K CB -0.191 32.334 32.500 0.041 0.000 0.718 3016 K HN 0.347 nan 8.250 nan 0.000 0.442 3017 M N 0.624 120.248 119.600 0.041 0.000 2.254 3017 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 3017 M C 2.169 178.483 176.300 0.024 0.000 1.066 3017 M CA 1.036 56.355 55.300 0.032 0.000 1.123 3017 M CB -0.670 31.952 32.600 0.037 0.000 1.388 3017 M HN 0.200 nan 8.290 nan 0.000 0.425 3018 L N 0.369 121.605 121.223 0.021 0.000 2.046 3018 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 3018 L C 2.224 179.099 176.870 0.009 0.000 1.077 3018 L CA 1.225 56.071 54.840 0.010 0.000 0.747 3018 L CB -0.174 41.885 42.059 0.001 0.000 0.896 3018 L HN 0.156 nan 8.230 nan 0.000 0.432 3019 I N -0.334 120.243 120.570 0.012 0.000 2.208 3019 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 3019 I C 2.468 178.590 176.117 0.010 0.000 1.097 3019 I CA 1.052 62.358 61.300 0.009 0.000 1.363 3019 I CB -0.403 37.604 38.000 0.012 0.000 1.051 3019 I HN 0.310 nan 8.210 nan 0.000 0.413 3020 E N 0.467 120.675 120.200 0.013 0.000 2.118 3020 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 3020 E C 2.419 179.026 176.600 0.011 0.000 0.992 3020 E CA 1.160 57.568 56.400 0.012 0.000 0.804 3020 E CB -0.258 29.451 29.700 0.015 0.000 0.741 3020 E HN 0.367 nan 8.360 nan 0.000 0.458 3021 V N 1.466 121.387 119.914 0.011 0.000 2.358 3021 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 3021 V C 2.461 178.559 176.094 0.006 0.000 1.047 3021 V CA 1.712 64.018 62.300 0.010 0.000 1.035 3021 V CB -0.806 31.023 31.823 0.009 0.000 0.658 3021 V HN 0.239 nan 8.190 nan 0.000 0.452 3022 A N -0.316 122.506 122.820 0.004 0.000 1.933 3022 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 3022 A C 2.283 179.869 177.584 0.003 0.000 1.175 3022 A CA 1.820 53.858 52.037 0.001 0.000 0.628 3022 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 3022 A HN 0.543 nan 8.150 nan 0.000 0.444 3023 K N -0.929 119.474 120.400 0.005 0.000 2.155 3023 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 3023 K C 1.970 178.573 176.600 0.006 0.000 1.052 3023 K CA 1.513 57.803 56.287 0.005 0.000 0.948 3023 K CB -0.278 32.225 32.500 0.006 0.000 0.728 3023 K HN 0.460 nan 8.250 nan 0.000 0.448 3024 T N 1.191 115.749 114.554 0.007 0.000 2.777 3024 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 3024 T C 1.830 176.534 174.700 0.007 0.000 1.040 3024 T CA 1.360 63.465 62.100 0.008 0.000 1.141 3024 T CB -0.128 68.746 68.868 0.010 0.000 0.868 3024 T HN 0.179 nan 8.240 nan 0.000 0.444 3025 Q N 1.394 121.197 119.800 0.005 0.000 2.096 3025 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 3025 Q C 2.099 178.101 176.000 0.004 0.000 0.982 3025 Q CA 1.922 57.727 55.803 0.004 0.000 0.850 3025 Q CB -0.264 28.474 28.738 0.001 0.000 0.901 3025 Q HN 0.679 nan 8.270 nan 0.000 0.422 3026 E N -0.742 119.460 120.200 0.003 0.000 2.072 3026 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 3026 E C 1.590 178.193 176.600 0.004 0.000 0.985 3026 E CA 0.973 57.375 56.400 0.003 0.000 0.801 3026 E CB 0.063 29.765 29.700 0.003 0.000 0.750 3026 E HN 0.139 nan 8.360 nan 0.000 0.452 3027 K N 0.372 120.775 120.400 0.004 0.000 2.147 3027 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 3027 K C 1.939 178.542 176.600 0.005 0.000 1.049 3027 K CA 0.997 57.287 56.287 0.005 0.000 0.936 3027 K CB 0.027 32.530 32.500 0.005 0.000 0.722 3027 K HN 0.239 nan 8.250 nan 0.000 0.446 3028 E N -0.010 120.194 120.200 0.006 0.000 2.045 3028 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 3028 E C 2.227 178.831 176.600 0.006 0.000 0.968 3028 E CA 0.759 57.163 56.400 0.006 0.000 0.813 3028 E CB -0.047 29.657 29.700 0.008 0.000 0.780 3028 E HN -0.025 nan 8.360 nan 0.000 0.455 3029 V N -0.789 119.129 119.914 0.006 0.000 2.788 3029 V HA 0.207 4.326 4.120 -0.001 0.000 0.241 3029 V C 1.679 177.776 176.094 0.005 0.000 1.083 3029 V CA 1.159 63.462 62.300 0.006 0.000 1.103 3029 V CB 0.278 32.105 31.823 0.005 0.000 0.800 3029 V HN 0.509 nan 8.190 nan 0.000 0.476 3030 G N 0.297 109.100 108.800 0.004 0.000 4.677 3030 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 3030 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 3030 G C 0.168 175.071 174.900 0.004 0.000 1.506 3030 G CA 0.327 45.429 45.100 0.004 0.000 1.016 3030 G HN 0.482 nan 8.290 nan 0.000 0.653 3031 D N 1.667 122.070 120.400 0.005 0.000 2.377 3031 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 3031 D C 1.483 177.784 176.300 0.003 0.000 1.196 3031 D CA 1.590 55.593 54.000 0.005 0.000 0.962 3031 D CB 0.389 41.194 40.800 0.008 0.000 1.127 3031 D HN 1.800 nan 8.370 nan 0.000 0.471 3032 G N 0.231 109.032 108.800 0.001 0.000 2.147 3032 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 3032 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 3032 G C 1.020 175.915 174.900 -0.007 0.000 1.005 3032 G CA 1.327 46.425 45.100 -0.004 0.000 0.713 3032 G HN 0.658 nan 8.290 nan 0.000 0.515 3033 T N -3.389 111.161 114.554 -0.006 0.000 2.833 3033 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 3033 T C 2.202 176.895 174.700 -0.012 0.000 1.054 3033 T CA 2.461 64.557 62.100 -0.007 0.000 1.135 3033 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 3033 T HN 0.308 nan 8.240 nan 0.000 0.466 3034 T N 1.883 116.429 114.554 -0.015 0.000 2.732 3034 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 3034 T C 2.294 176.978 174.700 -0.027 0.000 1.040 3034 T CA 1.695 63.782 62.100 -0.021 0.000 1.145 3034 T CB -0.923 67.932 68.868 -0.022 0.000 0.866 3034 T HN 0.472 nan 8.240 nan 0.000 0.427 3035 T N 2.332 116.870 114.554 -0.026 0.000 2.665 3035 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 3035 T C 2.364 177.041 174.700 -0.038 0.000 1.035 3035 T CA 1.359 63.439 62.100 -0.034 0.000 1.151 3035 T CB -0.646 68.205 68.868 -0.029 0.000 0.862 3035 T HN 0.424 nan 8.240 nan 0.000 0.438 3036 A N 0.787 123.589 122.820 -0.030 0.000 1.908 3036 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 3036 A C 2.596 180.160 177.584 -0.034 0.000 1.181 3036 A CA 1.623 53.642 52.037 -0.029 0.000 0.627 3036 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 3036 A HN 0.384 nan 8.150 nan 0.000 0.445 3037 V N -0.605 119.290 119.914 -0.030 0.000 2.453 3037 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 3037 V C 2.545 178.613 176.094 -0.043 0.000 1.048 3037 V CA 1.709 63.990 62.300 -0.031 0.000 1.049 3037 V CB -0.590 31.218 31.823 -0.026 0.000 0.672 3037 V HN 0.365 nan 8.190 nan 0.000 0.457 3038 V N -0.194 119.691 119.914 -0.047 0.000 2.343 3038 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 3038 V C 2.438 178.488 176.094 -0.074 0.000 1.051 3038 V CA 1.879 64.145 62.300 -0.056 0.000 1.036 3038 V CB -0.415 31.375 31.823 -0.055 0.000 0.654 3038 V HN 0.400 nan 8.190 nan 0.000 0.451 3039 V N 0.359 120.224 119.914 -0.083 0.000 2.295 3039 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 3039 V C 2.705 178.722 176.094 -0.128 0.000 1.049 3039 V CA 2.106 64.335 62.300 -0.119 0.000 1.024 3039 V CB -1.125 30.626 31.823 -0.121 0.000 0.648 3039 V HN 0.562 nan 8.190 nan 0.000 0.447 3040 A N 0.327 123.093 122.820 -0.089 0.000 1.972 3040 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 3040 A C 2.375 179.924 177.584 -0.058 0.000 1.169 3040 A CA 1.797 53.793 52.037 -0.068 0.000 0.635 3040 A CB -1.067 17.912 19.000 -0.035 0.000 0.810 3040 A HN 0.534 nan 8.150 nan 0.000 0.446 3041 G N -0.373 108.392 108.800 -0.059 0.000 2.404 3041 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.215 3041 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.215 3041 G C 1.483 176.350 174.900 -0.054 0.000 1.174 3041 G CA 1.275 46.345 45.100 -0.051 0.000 0.780 3041 G HN 0.545 nan 8.290 nan 0.000 0.537 3042 E N -0.002 120.154 120.200 -0.074 0.000 2.152 3042 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 3042 E C 2.284 178.833 176.600 -0.086 0.000 0.983 3042 E CA 0.371 56.724 56.400 -0.078 0.000 0.818 3042 E CB -0.407 29.235 29.700 -0.098 0.000 0.758 3042 E HN 0.258 nan 8.360 nan 0.000 0.467 3043 L N 0.112 121.259 121.223 -0.126 0.000 2.083 3043 L HA -0.069 4.271 4.340 -0.001 0.000 0.209 3043 L C 2.025 178.893 176.870 -0.004 0.000 1.083 3043 L CA 1.587 56.328 54.840 -0.165 0.000 0.752 3043 L CB -0.411 41.500 42.059 -0.246 0.000 0.899 3043 L HN 0.256 nan 8.230 nan 0.000 0.433 3044 L N -1.165 120.066 121.223 0.013 0.000 2.093 3044 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 3044 L C 2.732 179.627 176.870 0.042 0.000 1.085 3044 L CA 0.979 55.851 54.840 0.054 0.000 0.755 3044 L CB -0.446 41.623 42.059 0.017 0.000 0.904 3044 L HN 0.216 nan 8.230 nan 0.000 0.435 3045 R N -0.121 120.384 120.500 0.009 0.000 2.081 3045 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 3045 R C 2.285 178.602 176.300 0.028 0.000 1.131 3045 R CA 0.925 57.027 56.100 0.004 0.000 0.960 3045 R CB -0.144 30.146 30.300 -0.017 0.000 0.856 3045 R HN 0.218 nan 8.270 nan 0.000 0.436 3046 K N 0.376 120.804 120.400 0.046 0.000 2.148 3046 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 3046 K C 2.025 178.723 176.600 0.163 0.000 1.050 3046 K CA 1.197 57.538 56.287 0.090 0.000 0.942 3046 K CB -0.160 32.388 32.500 0.080 0.000 0.724 3046 K HN 0.142 nan 8.250 nan 0.000 0.446 3047 A N 1.605 124.557 122.820 0.219 0.000 1.898 3047 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 3047 A C 2.137 179.757 177.584 0.059 0.000 1.181 3047 A CA 1.369 53.513 52.037 0.178 0.000 0.620 3047 A CB -0.288 18.851 19.000 0.231 0.000 0.819 3047 A HN 0.247 nan 8.150 nan 0.000 0.442 3048 E N 0.267 120.495 120.200 0.046 0.000 2.150 3048 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 3048 E C 1.776 178.381 176.600 0.010 0.000 0.985 3048 E CA 1.281 57.689 56.400 0.012 0.000 0.814 3048 E CB -0.150 29.550 29.700 0.001 0.000 0.752 3048 E HN 0.762 nan 8.360 nan 0.000 0.466 3049 E N 0.208 120.421 120.200 0.023 0.000 2.106 3049 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 3049 E C 2.345 178.956 176.600 0.019 0.000 0.984 3049 E CA 0.682 57.094 56.400 0.019 0.000 0.806 3049 E CB -0.006 29.709 29.700 0.026 0.000 0.750 3049 E HN 0.252 nan 8.360 nan 0.000 0.458 3050 L N 0.308 121.547 121.223 0.027 0.000 2.046 3050 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 3050 L C 2.225 179.090 176.870 -0.009 0.000 1.077 3050 L CA 0.508 55.356 54.840 0.013 0.000 0.747 3050 L CB -0.238 41.825 42.059 0.006 0.000 0.896 3050 L HN 0.168 nan 8.230 nan 0.000 0.432 3051 L N -0.179 121.032 121.223 -0.019 0.000 2.093 3051 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 3051 L C 2.104 178.961 176.870 -0.023 0.000 1.085 3051 L CA 1.720 56.539 54.840 -0.035 0.000 0.755 3051 L CB -0.786 41.248 42.059 -0.041 0.000 0.904 3051 L HN 0.247 nan 8.230 nan 0.000 0.435 3052 D N -1.283 119.110 120.400 -0.011 0.000 2.144 3052 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 3052 D C 1.791 178.090 176.300 -0.002 0.000 0.978 3052 D CA 0.772 54.769 54.000 -0.006 0.000 0.833 3052 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 3052 D HN 0.223 nan 8.370 nan 0.000 0.470 3053 Q N 0.084 119.884 119.800 0.001 0.000 2.466 3053 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 3053 Q C 0.208 176.211 176.000 0.004 0.000 0.961 3053 Q CA 0.192 55.998 55.803 0.005 0.000 0.953 3053 Q CB -0.078 28.667 28.738 0.011 0.000 1.011 3053 Q HN 0.319 nan 8.270 nan 0.000 0.516 3054 N N -0.619 118.080 118.700 -0.002 0.000 2.776 3054 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 3054 N C -1.322 174.193 175.510 0.008 0.000 1.111 3054 N CA 0.300 53.350 53.050 0.000 0.000 0.711 3054 N CB -1.150 37.342 38.487 0.008 0.000 1.065 3054 N HN -0.025 nan 8.380 nan 0.000 0.556 3055 V N 1.927 121.841 119.914 -0.001 0.000 2.385 3055 V HA 0.126 4.245 4.120 -0.001 0.000 0.269 3055 V C 0.935 177.029 176.094 0.000 0.000 1.043 3055 V CA -0.728 61.577 62.300 0.009 0.000 0.906 3055 V CB 1.015 32.834 31.823 -0.005 0.000 0.995 3055 V HN 0.327 nan 8.190 nan 0.000 0.467 3056 H N 8.341 127.391 119.070 -0.032 0.000 3.034 3056 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 3056 H C -1.684 173.612 175.328 -0.052 0.000 1.015 3056 H CA -1.221 54.806 56.048 -0.034 0.000 1.429 3056 H CB 1.644 31.390 29.762 -0.028 0.000 1.429 3056 H HN 0.380 nan 8.280 nan 0.000 0.585 3057 P HA -0.178 nan 4.420 nan 0.000 0.217 3057 P C 1.523 178.853 177.300 0.051 0.000 1.148 3057 P CA 1.801 64.838 63.100 -0.106 0.000 0.834 3057 P CB 0.069 31.664 31.700 -0.174 0.000 0.783 3058 T N -1.745 113.002 114.554 0.321 0.000 2.915 3058 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 3058 T C 1.572 176.296 174.700 0.040 0.000 1.071 3058 T CA 0.756 62.947 62.100 0.152 0.000 1.132 3058 T CB -0.516 68.403 68.868 0.084 0.000 0.878 3058 T HN -0.149 nan 8.240 nan 0.000 0.479 3059 I N 0.718 121.317 120.570 0.049 0.000 2.333 3059 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 3059 I C 2.539 178.593 176.117 -0.105 0.000 1.106 3059 I CA 0.814 62.103 61.300 -0.019 0.000 1.411 3059 I CB -1.314 36.688 38.000 0.004 0.000 1.082 3059 I HN 0.151 nan 8.210 nan 0.000 0.420 3060 V N 0.735 120.549 119.914 -0.167 0.000 2.343 3060 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 3060 V C 2.700 178.468 176.094 -0.542 0.000 1.051 3060 V CA 1.305 63.349 62.300 -0.427 0.000 1.036 3060 V CB -0.557 31.030 31.823 -0.395 0.000 0.654 3060 V HN 0.167 nan 8.190 nan 0.000 0.451 3061 V N 0.059 119.823 119.914 -0.249 0.000 2.261 3061 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 3061 V C 2.485 178.540 176.094 -0.066 0.000 1.047 3061 V CA 2.381 64.612 62.300 -0.116 0.000 1.015 3061 V CB -0.673 31.127 31.823 -0.037 0.000 0.642 3061 V HN 0.531 nan 8.190 nan 0.000 0.446 3062 K N 1.115 121.476 120.400 -0.065 0.000 2.026 3062 K HA -0.106 4.214 4.320 -0.001 0.000 0.208 3062 K C 2.051 178.628 176.600 -0.039 0.000 1.048 3062 K CA 1.947 58.209 56.287 -0.040 0.000 0.929 3062 K CB -1.168 31.311 32.500 -0.035 0.000 0.713 3062 K HN 0.387 nan 8.250 nan 0.000 0.439 3063 G N -0.810 107.959 108.800 -0.051 0.000 2.418 3063 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 3063 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 3063 G C 1.210 176.145 174.900 0.058 0.000 1.158 3063 G CA 0.836 45.939 45.100 0.005 0.000 0.771 3063 G HN 0.268 nan 8.290 nan 0.000 0.545 3064 Y N 0.403 120.626 120.300 -0.128 0.000 2.200 3064 Y HA -0.044 4.506 4.550 -0.001 0.000 0.290 3064 Y C 2.891 178.545 175.900 -0.410 0.000 1.137 3064 Y CA 1.076 59.016 58.100 -0.267 0.000 1.163 3064 Y CB -0.945 37.546 38.460 0.052 0.000 0.988 3064 Y HN 0.270 nan 8.280 nan 0.000 0.518 3065 Q N 0.320 120.108 119.800 -0.019 0.000 2.123 3065 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 3065 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 3065 Q CA 1.528 57.299 55.803 -0.052 0.000 0.845 3065 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 3065 Q HN 0.328 nan 8.270 nan 0.000 0.439 3066 A N 0.273 123.020 122.820 -0.120 0.000 1.855 3066 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 3066 A C 2.279 179.769 177.584 -0.157 0.000 1.191 3066 A CA 1.863 53.837 52.037 -0.106 0.000 0.613 3066 A CB -1.197 17.763 19.000 -0.066 0.000 0.829 3066 A HN 0.494 nan 8.150 nan 0.000 0.442 3067 A N -0.319 122.317 122.820 -0.307 0.000 1.930 3067 A HA 0.231 4.551 4.320 -0.001 0.000 0.217 3067 A C 2.458 179.793 177.584 -0.416 0.000 1.175 3067 A CA 1.878 53.686 52.037 -0.381 0.000 0.627 3067 A CB -0.906 17.730 19.000 -0.608 0.000 0.815 3067 A HN 1.029 nan 8.150 nan 0.000 0.443 3068 A N -1.079 121.362 122.820 -0.632 0.000 1.930 3068 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 3068 A C 2.098 179.662 177.584 -0.033 0.000 1.175 3068 A CA 1.545 53.473 52.037 -0.180 0.000 0.627 3068 A CB -0.399 18.545 19.000 -0.093 0.000 0.815 3068 A HN 0.481 nan 8.150 nan 0.000 0.443 3069 Q N -0.073 119.689 119.800 -0.063 0.000 2.119 3069 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 3069 Q C 1.751 177.759 176.000 0.013 0.000 0.972 3069 Q CA 1.208 57.001 55.803 -0.017 0.000 0.847 3069 Q CB -0.267 28.452 28.738 -0.031 0.000 0.903 3069 Q HN 0.516 nan 8.270 nan 0.000 0.433 3070 K N 0.229 120.646 120.400 0.027 0.000 2.167 3070 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 3070 K C 1.945 178.634 176.600 0.148 0.000 1.052 3070 K CA 0.801 57.148 56.287 0.100 0.000 0.956 3070 K CB -0.103 32.504 32.500 0.179 0.000 0.735 3070 K HN 0.113 nan 8.250 nan 0.000 0.451 3071 A N 1.575 124.474 122.820 0.132 0.000 1.902 3071 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 3071 A C 2.131 179.779 177.584 0.107 0.000 1.181 3071 A CA 1.375 53.501 52.037 0.148 0.000 0.623 3071 A CB -0.381 18.756 19.000 0.229 0.000 0.818 3071 A HN 0.350 nan 8.150 nan 0.000 0.443 3072 Q N -0.881 118.971 119.800 0.087 0.000 2.172 3072 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 3072 Q C 1.882 177.916 176.000 0.057 0.000 0.964 3072 Q CA 1.098 56.940 55.803 0.064 0.000 0.855 3072 Q CB -0.089 28.679 28.738 0.050 0.000 0.918 3072 Q HN 0.581 nan 8.270 nan 0.000 0.444 3073 E N 0.530 120.767 120.200 0.062 0.000 2.110 3073 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 3073 E C 1.948 178.593 176.600 0.075 0.000 0.988 3073 E CA 0.799 57.234 56.400 0.058 0.000 0.804 3073 E CB 0.005 29.736 29.700 0.052 0.000 0.745 3073 E HN 0.218 nan 8.360 nan 0.000 0.458 3074 L N 0.455 121.738 121.223 0.100 0.000 2.093 3074 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 3074 L C 2.424 179.335 176.870 0.069 0.000 1.085 3074 L CA 1.122 56.022 54.840 0.100 0.000 0.755 3074 L CB -0.822 41.304 42.059 0.111 0.000 0.904 3074 L HN 0.095 nan 8.230 nan 0.000 0.435 3075 L N -1.028 120.232 121.223 0.062 0.000 2.093 3075 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 3075 L C 2.431 179.325 176.870 0.041 0.000 1.085 3075 L CA 1.197 56.066 54.840 0.047 0.000 0.755 3075 L CB -0.451 41.634 42.059 0.043 0.000 0.904 3075 L HN 0.231 nan 8.230 nan 0.000 0.435 3076 K N -0.774 119.650 120.400 0.041 0.000 2.155 3076 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 3076 K C 2.045 178.665 176.600 0.034 0.000 1.052 3076 K CA 1.442 57.749 56.287 0.033 0.000 0.948 3076 K CB -0.134 32.384 32.500 0.030 0.000 0.728 3076 K HN 0.263 nan 8.250 nan 0.000 0.448 3077 T N 1.950 116.529 114.554 0.042 0.000 2.777 3077 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 3077 T C 1.852 176.574 174.700 0.037 0.000 1.040 3077 T CA 1.263 63.388 62.100 0.042 0.000 1.141 3077 T CB -0.120 68.782 68.868 0.057 0.000 0.868 3077 T HN 0.384 nan 8.240 nan 0.000 0.444 3078 I N -0.452 120.143 120.570 0.040 0.000 3.728 3078 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 3078 I C 1.018 177.153 176.117 0.030 0.000 1.276 3078 I CA -0.596 60.725 61.300 0.037 0.000 1.285 3078 I CB -0.427 37.602 38.000 0.048 0.000 1.038 3078 I HN -0.056 nan 8.210 nan 0.000 0.445 3079 A N 1.501 124.338 122.820 0.028 0.000 2.567 3079 A HA 0.122 4.442 4.320 -0.001 0.000 0.240 3079 A C 0.098 177.693 177.584 0.019 0.000 1.053 3079 A CA -0.001 52.050 52.037 0.023 0.000 0.755 3079 A CB -0.183 18.830 19.000 0.022 0.000 0.978 3079 A HN 0.638 nan 8.150 nan 0.000 0.507 3080 C N 3.756 123.066 119.300 0.016 0.000 2.273 3080 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 3080 C C 0.317 175.314 174.990 0.011 0.000 1.275 3080 C CA -0.682 58.344 59.018 0.013 0.000 1.704 3080 C CB -0.792 26.955 27.740 0.012 0.000 2.326 3080 C HN 0.881 nan 8.230 nan 0.000 0.517 3081 E N 3.689 123.895 120.200 0.010 0.000 2.316 3081 E HA 0.424 4.773 4.350 -0.001 0.000 0.275 3081 E C -0.113 176.491 176.600 0.007 0.000 1.029 3081 E CA -0.062 56.343 56.400 0.008 0.000 0.871 3081 E CB 1.166 30.871 29.700 0.008 0.000 1.022 3081 E HN 0.700 nan 8.360 nan 0.000 0.418 3082 V N -0.510 119.408 119.914 0.006 0.000 3.040 3082 V HA 0.730 4.849 4.120 -0.001 0.000 0.312 3082 V C 0.320 176.417 176.094 0.005 0.000 1.115 3082 V CA -1.135 61.168 62.300 0.005 0.000 0.998 3082 V CB 1.673 33.499 31.823 0.005 0.000 1.042 3082 V HN 0.660 nan 8.190 nan 0.000 0.433 3083 G N 0.606 109.408 108.800 0.004 0.000 2.365 3083 G HA2 0.482 4.441 3.960 -0.001 0.000 0.249 3083 G HA3 0.482 4.441 3.960 -0.001 0.000 0.249 3083 G C 0.965 175.867 174.900 0.004 0.000 1.288 3083 G CA 0.127 45.229 45.100 0.003 0.000 0.887 3083 G HN 1.656 nan 8.290 nan 0.000 0.524 3084 A N 2.345 125.167 122.820 0.004 0.000 1.940 3084 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 3084 A C 1.942 179.528 177.584 0.004 0.000 1.176 3084 A CA 1.198 53.237 52.037 0.004 0.000 0.631 3084 A CB -0.003 19.000 19.000 0.004 0.000 0.814 3084 A HN 0.515 nan 8.150 nan 0.000 0.446 3085 Q N 0.007 119.809 119.800 0.003 0.000 2.201 3085 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 3085 Q C -0.945 175.056 176.000 0.002 0.000 0.857 3085 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 3085 Q CB 0.025 28.765 28.738 0.003 0.000 1.124 3085 Q HN 0.720 nan 8.270 nan 0.000 0.473 3086 D N 0.725 121.126 120.400 0.002 0.000 2.344 3086 D HA 0.005 4.645 4.640 -0.001 0.000 0.253 3086 D C 1.250 177.551 176.300 0.001 0.000 1.255 3086 D CA 0.063 54.064 54.000 0.001 0.000 0.894 3086 D CB 0.884 41.685 40.800 0.001 0.000 1.067 3086 D HN -0.218 nan 8.370 nan 0.000 0.492 3087 K N 3.408 123.808 120.400 0.000 0.000 2.077 3087 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 3087 K C 1.553 178.151 176.600 -0.002 0.000 1.051 3087 K CA 2.068 58.355 56.287 -0.001 0.000 0.929 3087 K CB -0.106 32.394 32.500 -0.001 0.000 0.715 3087 K HN 0.660 nan 8.250 nan 0.000 0.451 3088 E N -0.451 119.748 120.200 -0.003 0.000 2.023 3088 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 3088 E C 1.993 178.591 176.600 -0.004 0.000 1.003 3088 E CA 1.660 58.057 56.400 -0.004 0.000 0.809 3088 E CB -0.275 29.423 29.700 -0.004 0.000 0.755 3088 E HN 0.340 nan 8.360 nan 0.000 0.449 3089 I N 0.581 121.150 120.570 -0.002 0.000 2.454 3089 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 3089 I C 1.878 177.995 176.117 0.000 0.000 1.156 3089 I CA 0.729 62.029 61.300 -0.000 0.000 1.433 3089 I CB -0.059 37.942 38.000 0.002 0.000 1.082 3089 I HN 0.212 nan 8.210 nan 0.000 0.432 3090 L N 0.063 121.286 121.223 -0.000 0.000 2.141 3090 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 3090 L C 2.643 179.513 176.870 -0.001 0.000 1.094 3090 L CA 2.295 57.135 54.840 0.001 0.000 0.763 3090 L CB -1.564 40.496 42.059 0.001 0.000 0.908 3090 L HN 0.493 nan 8.230 nan 0.000 0.437 3091 T N -4.953 109.599 114.554 -0.003 0.000 3.035 3091 T HA -0.068 4.282 4.350 -0.001 0.000 0.259 3091 T C 1.898 176.593 174.700 -0.009 0.000 1.078 3091 T CA 0.434 62.530 62.100 -0.006 0.000 1.132 3091 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 3091 T HN 0.178 nan 8.240 nan 0.000 0.480 3092 K N 0.615 121.011 120.400 -0.007 0.000 2.057 3092 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 3092 K C 2.144 178.742 176.600 -0.003 0.000 1.050 3092 K CA 0.961 57.243 56.287 -0.008 0.000 0.935 3092 K CB -0.182 32.314 32.500 -0.006 0.000 0.715 3092 K HN 0.252 nan 8.250 nan 0.000 0.439 3093 I N 1.304 121.875 120.570 0.001 0.000 2.179 3093 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 3093 I C 2.518 178.638 176.117 0.006 0.000 1.088 3093 I CA 1.267 62.570 61.300 0.005 0.000 1.357 3093 I CB -1.344 36.659 38.000 0.006 0.000 1.051 3093 I HN 0.104 nan 8.210 nan 0.000 0.409 3094 A N 0.772 123.594 122.820 0.003 0.000 1.865 3094 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 3094 A C 2.397 179.982 177.584 0.002 0.000 1.191 3094 A CA 1.901 53.940 52.037 0.003 0.000 0.623 3094 A CB -0.660 18.340 19.000 0.000 0.000 0.826 3094 A HN 0.356 nan 8.150 nan 0.000 0.444 3095 M N -0.839 118.758 119.600 -0.005 0.000 2.159 3095 M HA -0.123 4.357 4.480 -0.001 0.000 0.263 3095 M C 2.208 178.505 176.300 -0.006 0.000 1.063 3095 M CA 1.792 57.084 55.300 -0.014 0.000 1.110 3095 M CB -0.642 31.939 32.600 -0.031 0.000 1.374 3095 M HN 0.472 nan 8.290 nan 0.000 0.411 3096 T N -0.244 114.313 114.554 0.004 0.000 2.665 3096 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 3096 T C 1.954 176.679 174.700 0.043 0.000 1.035 3096 T CA 2.021 64.136 62.100 0.026 0.000 1.151 3096 T CB -0.320 68.563 68.868 0.026 0.000 0.862 3096 T HN 0.399 nan 8.240 nan 0.000 0.438 3097 S N 0.205 115.922 115.700 0.029 0.000 2.371 3097 S HA 0.034 4.503 4.470 -0.001 0.000 0.224 3097 S C 2.057 176.679 174.600 0.037 0.000 1.029 3097 S CA 0.570 58.789 58.200 0.031 0.000 0.978 3097 S CB -0.429 62.783 63.200 0.021 0.000 0.833 3097 S HN 0.451 nan 8.310 nan 0.000 0.466 3098 I N 1.679 122.266 120.570 0.028 0.000 2.226 3098 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 3098 I C 1.321 177.465 176.117 0.045 0.000 1.100 3098 I CA 0.966 62.282 61.300 0.026 0.000 1.374 3098 I CB -0.934 37.072 38.000 0.010 0.000 1.057 3098 I HN 0.415 nan 8.210 nan 0.000 0.413 3099 T N -0.408 114.179 114.554 0.055 0.000 2.903 3099 T HA 0.326 4.675 4.350 -0.001 0.000 0.314 3099 T C 1.083 175.912 174.700 0.215 0.000 1.078 3099 T CA 0.090 62.251 62.100 0.101 0.000 1.114 3099 T CB 1.225 70.118 68.868 0.042 0.000 0.987 3099 T HN 0.636 nan 8.240 nan 0.000 0.548 3100 G N 0.495 109.472 108.800 0.294 0.000 2.141 3100 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 3100 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 3100 G C -0.134 174.832 174.900 0.109 0.000 0.982 3100 G CA 0.316 45.548 45.100 0.220 0.000 0.662 3100 G HN 0.947 nan 8.290 nan 0.000 0.527 3101 K N -0.200 120.257 120.400 0.095 0.000 2.328 3101 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 3101 K C 1.566 178.197 176.600 0.052 0.000 0.955 3101 K CA 0.179 56.501 56.287 0.058 0.000 0.817 3101 K CB 0.971 33.498 32.500 0.045 0.000 1.208 3101 K HN 0.282 nan 8.250 nan 0.000 0.432 3102 G N 1.151 109.975 108.800 0.039 0.000 2.450 3102 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.220 3102 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.220 3102 G C 1.049 175.966 174.900 0.028 0.000 1.130 3102 G CA 1.036 46.156 45.100 0.033 0.000 0.760 3102 G HN 0.638 nan 8.290 nan 0.000 0.557 3103 A N 1.347 124.183 122.820 0.027 0.000 2.209 3103 A HA 0.091 4.411 4.320 -0.001 0.000 0.212 3103 A C 2.090 179.684 177.584 0.015 0.000 1.158 3103 A CA 1.498 53.547 52.037 0.020 0.000 0.742 3103 A CB -0.381 18.631 19.000 0.020 0.000 0.790 3103 A HN 0.661 nan 8.150 nan 0.000 0.472 3104 E N 1.379 121.590 120.200 0.019 0.000 2.333 3104 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 3104 E C 1.557 178.153 176.600 -0.006 0.000 1.007 3104 E CA 1.302 57.705 56.400 0.005 0.000 0.845 3104 E CB -0.541 29.165 29.700 0.009 0.000 0.766 3104 E HN 0.792 nan 8.360 nan 0.000 0.507 3105 K N 0.799 121.200 120.400 0.002 0.000 2.281 3105 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 3105 K C 1.466 178.063 176.600 -0.005 0.000 1.046 3105 K CA 1.465 57.751 56.287 -0.002 0.000 0.938 3105 K CB -0.008 32.495 32.500 0.005 0.000 0.737 3105 K HN 0.164 nan 8.250 nan 0.000 0.458 3106 A N 1.784 124.602 122.820 -0.003 0.000 2.606 3106 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 3106 A C 1.347 178.927 177.584 -0.006 0.000 1.174 3106 A CA -0.562 51.473 52.037 -0.004 0.000 0.958 3106 A CB -0.041 18.960 19.000 0.001 0.000 1.194 3106 A HN 0.414 nan 8.150 nan 0.000 0.526 3107 K N 0.186 120.579 120.400 -0.011 0.000 2.281 3107 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 3107 K C 0.834 177.425 176.600 -0.015 0.000 1.046 3107 K CA 1.905 58.184 56.287 -0.014 0.000 0.938 3107 K CB -0.114 32.370 32.500 -0.026 0.000 0.737 3107 K HN 0.313 nan 8.250 nan 0.000 0.458 3108 E N 1.297 121.487 120.200 -0.016 0.000 2.072 3108 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 3108 E C 1.753 178.348 176.600 -0.008 0.000 0.982 3108 E CA 1.241 57.633 56.400 -0.014 0.000 0.803 3108 E CB 0.051 29.741 29.700 -0.015 0.000 0.755 3108 E HN 0.258 nan 8.360 nan 0.000 0.453 3109 K N 0.331 120.728 120.400 -0.005 0.000 2.057 3109 K HA 0.006 4.325 4.320 -0.001 0.000 0.206 3109 K C 1.971 178.571 176.600 0.001 0.000 1.050 3109 K CA 0.751 57.038 56.287 -0.001 0.000 0.935 3109 K CB -0.307 32.194 32.500 0.001 0.000 0.715 3109 K HN 0.057 nan 8.250 nan 0.000 0.439 3110 L N 0.104 121.327 121.223 0.000 0.000 2.046 3110 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 3110 L C 2.373 179.244 176.870 0.001 0.000 1.077 3110 L CA 1.406 56.247 54.840 0.002 0.000 0.747 3110 L CB -0.604 41.457 42.059 0.003 0.000 0.896 3110 L HN 0.196 nan 8.230 nan 0.000 0.432 3111 A N -0.240 122.578 122.820 -0.002 0.000 1.933 3111 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 3111 A C 2.176 179.759 177.584 -0.001 0.000 1.175 3111 A CA 1.811 53.846 52.037 -0.003 0.000 0.628 3111 A CB -0.428 18.568 19.000 -0.007 0.000 0.814 3111 A HN 0.387 nan 8.150 nan 0.000 0.444 3112 E N 0.197 120.396 120.200 -0.001 0.000 2.051 3112 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 3112 E C 1.755 178.357 176.600 0.003 0.000 0.991 3112 E CA 1.422 57.822 56.400 0.000 0.000 0.799 3112 E CB -0.229 29.471 29.700 -0.000 0.000 0.748 3112 E HN 0.469 nan 8.360 nan 0.000 0.449 3113 I N 0.274 120.847 120.570 0.004 0.000 2.226 3113 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 3113 I C 2.136 178.256 176.117 0.006 0.000 1.100 3113 I CA 0.954 62.258 61.300 0.006 0.000 1.374 3113 I CB -0.798 37.206 38.000 0.008 0.000 1.057 3113 I HN 0.197 nan 8.210 nan 0.000 0.413 3114 I N -0.061 120.512 120.570 0.004 0.000 2.406 3114 I HA -0.149 4.020 4.170 -0.001 0.000 0.249 3114 I C 2.488 178.607 176.117 0.004 0.000 1.122 3114 I CA 0.898 62.200 61.300 0.004 0.000 1.431 3114 I CB -0.405 37.598 38.000 0.004 0.000 1.087 3114 I HN -0.095 nan 8.210 nan 0.000 0.424 3115 V N 0.281 120.197 119.914 0.003 0.000 2.358 3115 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 3115 V C 2.449 178.545 176.094 0.004 0.000 1.047 3115 V CA 1.530 63.832 62.300 0.003 0.000 1.035 3115 V CB -0.581 31.243 31.823 0.002 0.000 0.658 3115 V HN 0.380 nan 8.190 nan 0.000 0.452 3116 E N 0.384 120.586 120.200 0.004 0.000 2.072 3116 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 3116 E C 2.378 178.982 176.600 0.006 0.000 0.985 3116 E CA 1.413 57.816 56.400 0.005 0.000 0.801 3116 E CB -0.458 29.246 29.700 0.006 0.000 0.750 3116 E HN 0.555 nan 8.360 nan 0.000 0.452 3117 A N 1.137 123.961 122.820 0.006 0.000 1.902 3117 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 3117 A C 2.623 180.210 177.584 0.005 0.000 1.181 3117 A CA 1.447 53.487 52.037 0.006 0.000 0.623 3117 A CB -0.688 18.315 19.000 0.005 0.000 0.818 3117 A HN 0.124 nan 8.150 nan 0.000 0.443 3118 V N -0.262 119.655 119.914 0.004 0.000 2.261 3118 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 3118 V C 2.762 178.859 176.094 0.005 0.000 1.047 3118 V CA 2.368 64.670 62.300 0.004 0.000 1.015 3118 V CB -0.831 30.994 31.823 0.004 0.000 0.642 3118 V HN 0.549 nan 8.190 nan 0.000 0.446 3119 S N 0.010 115.714 115.700 0.005 0.000 2.419 3119 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 3119 S C 2.137 176.741 174.600 0.007 0.000 1.016 3119 S CA 1.236 59.440 58.200 0.006 0.000 0.974 3119 S CB -0.393 62.811 63.200 0.006 0.000 0.786 3119 S HN 0.644 nan 8.310 nan 0.000 0.492 3120 A N 1.055 123.880 122.820 0.008 0.000 1.930 3120 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 3120 A C 2.239 179.829 177.584 0.011 0.000 1.175 3120 A CA 1.651 53.694 52.037 0.010 0.000 0.627 3120 A CB -0.535 18.471 19.000 0.009 0.000 0.815 3120 A HN 0.579 nan 8.150 nan 0.000 0.443 3121 V N -3.662 116.257 119.914 0.008 0.000 3.660 3121 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 3121 V C 1.871 177.968 176.094 0.006 0.000 1.317 3121 V CA 0.869 63.173 62.300 0.007 0.000 1.097 3121 V CB -0.302 31.523 31.823 0.004 0.000 0.863 3121 V HN 0.155 nan 8.190 nan 0.000 0.438 3122 V N 1.001 120.919 119.914 0.006 0.000 2.568 3122 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 3122 V C 1.624 177.721 176.094 0.006 0.000 1.072 3122 V CA 2.603 64.906 62.300 0.005 0.000 1.084 3122 V CB -0.596 31.230 31.823 0.005 0.000 0.676 3122 V HN 0.897 nan 8.190 nan 0.000 0.469 3123 D N -1.056 119.349 120.400 0.008 0.000 4.438 3123 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 3123 D C 0.617 176.921 176.300 0.007 0.000 0.686 3123 D CA 1.921 55.926 54.000 0.008 0.000 1.183 3123 D CB -1.234 39.569 40.800 0.005 0.000 0.623 3123 D HN 0.573 nan 8.370 nan 0.000 0.521 3124 D N 1.619 122.021 120.400 0.004 0.000 2.414 3124 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 3124 D C -0.200 176.102 176.300 0.004 0.000 1.252 3124 D CA 0.299 54.301 54.000 0.003 0.000 0.999 3124 D CB 0.407 41.208 40.800 0.002 0.000 1.093 3124 D HN 0.199 nan 8.370 nan 0.000 0.515 3125 E N -0.303 119.899 120.200 0.003 0.000 2.373 3125 E HA 0.549 4.899 4.350 -0.001 0.000 0.233 3125 E C -0.238 176.364 176.600 0.003 0.000 1.035 3125 E CA -0.622 55.780 56.400 0.004 0.000 0.930 3125 E CB 0.626 30.328 29.700 0.004 0.000 1.278 3125 E HN 0.450 nan 8.360 nan 0.000 0.452 3126 G N 1.453 110.255 108.800 0.003 0.000 2.340 3126 G HA2 0.259 4.218 3.960 -0.001 0.000 0.298 3126 G HA3 0.259 4.218 3.960 -0.001 0.000 0.298 3126 G C -1.745 173.157 174.900 0.003 0.000 1.498 3126 G CA -0.736 44.366 45.100 0.003 0.000 0.847 3126 G HN 0.021 nan 8.290 nan 0.000 0.594 3127 K N 0.465 120.867 120.400 0.003 0.000 2.550 3127 K HA 0.542 4.861 4.320 -0.001 0.000 0.252 3127 K C -1.385 175.217 176.600 0.003 0.000 0.943 3127 K CA -0.542 55.747 56.287 0.003 0.000 0.806 3127 K CB 2.262 34.764 32.500 0.002 0.000 1.289 3127 K HN 0.512 nan 8.250 nan 0.000 0.435 3128 V N 3.415 123.330 119.914 0.003 0.000 2.370 3128 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 3128 V C -0.251 175.844 176.094 0.002 0.000 1.029 3128 V CA -0.717 61.584 62.300 0.002 0.000 0.870 3128 V CB 1.319 33.144 31.823 0.003 0.000 0.984 3128 V HN 0.606 nan 8.190 nan 0.000 0.451 3129 D N 4.022 124.422 120.400 0.001 0.000 2.427 3129 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 3129 D C 0.974 177.273 176.300 -0.002 0.000 1.076 3129 D CA -0.386 53.613 54.000 -0.001 0.000 0.849 3129 D CB 1.427 42.226 40.800 -0.002 0.000 1.052 3129 D HN 0.511 nan 8.370 nan 0.000 0.515 3130 K N 2.755 123.154 120.400 -0.002 0.000 2.160 3130 K HA -0.231 4.089 4.320 -0.001 0.000 0.206 3130 K C 0.964 177.561 176.600 -0.006 0.000 1.047 3130 K CA 1.319 57.605 56.287 -0.003 0.000 0.930 3130 K CB 0.161 32.660 32.500 -0.002 0.000 0.720 3130 K HN 0.331 nan 8.250 nan 0.000 0.450 3131 D N 0.194 120.590 120.400 -0.007 0.000 2.309 3131 D HA -0.110 4.529 4.640 -0.001 0.000 0.212 3131 D C 1.389 177.682 176.300 -0.012 0.000 0.968 3131 D CA 0.702 54.696 54.000 -0.010 0.000 0.882 3131 D CB 0.128 40.922 40.800 -0.010 0.000 0.918 3131 D HN 0.263 nan 8.370 nan 0.000 0.503 3132 L N -0.304 120.913 121.223 -0.009 0.000 2.554 3132 L HA 0.172 4.511 4.340 -0.001 0.000 0.226 3132 L C 0.370 177.234 176.870 -0.010 0.000 1.137 3132 L CA 0.180 55.014 54.840 -0.009 0.000 0.863 3132 L CB 0.085 42.142 42.059 -0.004 0.000 0.985 3132 L HN 0.009 nan 8.230 nan 0.000 0.451 3133 I N 0.272 120.836 120.570 -0.010 0.000 2.382 3133 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 3133 I C 0.077 176.185 176.117 -0.015 0.000 1.002 3133 I CA -0.460 60.834 61.300 -0.010 0.000 1.135 3133 I CB 1.676 39.673 38.000 -0.005 0.000 1.288 3133 I HN -0.113 nan 8.210 nan 0.000 0.448 3134 K N 6.626 127.013 120.400 -0.021 0.000 2.172 3134 K HA 0.427 4.746 4.320 -0.001 0.000 0.276 3134 K C -0.703 175.883 176.600 -0.023 0.000 1.013 3134 K CA -0.594 55.676 56.287 -0.028 0.000 0.913 3134 K CB 1.264 33.739 32.500 -0.042 0.000 1.055 3134 K HN 0.452 nan 8.250 nan 0.000 0.461 3135 I N 3.975 124.533 120.570 -0.021 0.000 2.307 3135 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 3135 I C 0.100 176.204 176.117 -0.022 0.000 1.054 3135 I CA -0.583 60.707 61.300 -0.016 0.000 1.218 3135 I CB 0.581 38.575 38.000 -0.010 0.000 1.398 3135 I HN 0.517 nan 8.210 nan 0.000 0.475 3136 E N 7.314 127.499 120.200 -0.025 0.000 2.199 3136 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 3136 E C -0.948 175.640 176.600 -0.019 0.000 0.899 3136 E CA -0.746 55.635 56.400 -0.032 0.000 0.772 3136 E CB 1.406 31.073 29.700 -0.054 0.000 1.155 3136 E HN 0.541 nan 8.360 nan 0.000 0.408 3137 K N 2.909 123.298 120.400 -0.019 0.000 2.471 3137 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 3137 K C -0.929 175.662 176.600 -0.014 0.000 0.938 3137 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 3137 K CB 1.592 34.087 32.500 -0.009 0.000 1.161 3137 K HN 0.097 nan 8.250 nan 0.000 0.425 3138 K N 2.028 122.424 120.400 -0.006 0.000 2.507 3138 K HA 0.217 4.537 4.320 -0.001 0.000 0.251 3138 K C -0.646 175.953 176.600 -0.002 0.000 0.943 3138 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 3138 K CB 2.138 34.643 32.500 0.009 0.000 1.188 3138 K HN 0.993 nan 8.250 nan 0.000 0.428 3139 S N 0.431 116.123 115.700 -0.014 0.000 2.584 3139 S HA 0.674 5.144 4.470 -0.001 0.000 0.270 3139 S C 0.565 175.165 174.600 -0.001 0.000 1.346 3139 S CA 0.327 58.520 58.200 -0.013 0.000 1.018 3139 S CB 0.822 64.004 63.200 -0.029 0.000 0.899 3139 S HN 0.931 nan 8.310 nan 0.000 0.542 3140 G N -0.194 108.607 108.800 0.002 0.000 2.640 3140 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 3140 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 3140 G C -0.042 174.864 174.900 0.010 0.000 1.229 3140 G CA -0.124 44.980 45.100 0.007 0.000 0.796 3140 G HN 2.406 nan 8.290 nan 0.000 0.654 3141 A N -0.333 122.493 122.820 0.009 0.000 5.953 3141 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 3141 A C 1.187 178.776 177.584 0.009 0.000 2.116 3141 A CA 1.971 54.014 52.037 0.010 0.000 0.711 3141 A CB -1.624 17.384 19.000 0.012 0.000 1.100 3141 A HN 2.749 nan 8.150 nan 0.000 0.364 3142 S N -2.831 112.875 115.700 0.009 0.000 2.851 3142 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 3142 S C 1.198 175.804 174.600 0.010 0.000 1.144 3142 S CA -0.109 58.097 58.200 0.010 0.000 0.862 3142 S CB 0.628 63.833 63.200 0.008 0.000 1.259 3142 S HN 1.019 nan 8.310 nan 0.000 0.564 3143 I N 2.009 122.585 120.570 0.010 0.000 2.546 3143 I HA -0.034 4.136 4.170 -0.001 0.000 0.255 3143 I C 1.514 177.636 176.117 0.009 0.000 1.163 3143 I CA 1.183 62.489 61.300 0.010 0.000 1.457 3143 I CB -1.347 36.660 38.000 0.011 0.000 1.092 3143 I HN 0.586 nan 8.210 nan 0.000 0.434 3144 D N 1.246 121.651 120.400 0.007 0.000 2.218 3144 D HA -0.172 4.468 4.640 -0.001 0.000 0.204 3144 D C 1.343 177.647 176.300 0.007 0.000 0.976 3144 D CA 1.192 55.196 54.000 0.005 0.000 0.853 3144 D CB -0.115 40.687 40.800 0.004 0.000 0.939 3144 D HN 0.432 nan 8.370 nan 0.000 0.481 3145 D N -0.173 120.232 120.400 0.009 0.000 2.347 3145 D HA -0.035 4.605 4.640 -0.001 0.000 0.215 3145 D C 0.330 176.640 176.300 0.016 0.000 0.976 3145 D CA 0.426 54.432 54.000 0.012 0.000 0.884 3145 D CB -0.015 40.792 40.800 0.012 0.000 0.915 3145 D HN -0.045 nan 8.370 nan 0.000 0.526 3146 T N 1.784 116.348 114.554 0.016 0.000 2.905 3146 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 3146 T C 0.228 174.940 174.700 0.020 0.000 1.024 3146 T CA 0.382 62.494 62.100 0.019 0.000 1.151 3146 T CB 0.223 69.100 68.868 0.014 0.000 0.987 3146 T HN 0.303 nan 8.240 nan 0.000 0.535 3147 E N 2.035 122.252 120.200 0.027 0.000 2.408 3147 E HA 0.596 4.945 4.350 -0.001 0.000 0.275 3147 E C -1.490 175.130 176.600 0.033 0.000 0.935 3147 E CA -1.188 55.229 56.400 0.029 0.000 0.775 3147 E CB 1.303 31.023 29.700 0.034 0.000 1.277 3147 E HN 0.326 nan 8.360 nan 0.000 0.455 3148 L N 2.508 123.749 121.223 0.028 0.000 2.275 3148 L HA 0.484 4.823 4.340 -0.001 0.000 0.288 3148 L C -1.233 175.660 176.870 0.038 0.000 1.046 3148 L CA -0.389 54.468 54.840 0.028 0.000 0.805 3148 L CB 0.879 42.949 42.059 0.018 0.000 1.193 3148 L HN 0.610 nan 8.230 nan 0.000 0.426 3149 I N 5.222 125.821 120.570 0.047 0.000 2.359 3149 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 3149 I C -0.127 176.019 176.117 0.047 0.000 1.018 3149 I CA -0.855 60.486 61.300 0.068 0.000 1.173 3149 I CB 0.994 39.068 38.000 0.124 0.000 1.326 3149 I HN 0.477 nan 8.210 nan 0.000 0.462 3150 K N 5.299 125.723 120.400 0.039 0.000 2.081 3150 K HA 0.441 4.760 4.320 -0.001 0.000 0.230 3150 K C 0.307 176.924 176.600 0.029 0.000 1.199 3150 K CA -0.077 56.226 56.287 0.026 0.000 1.130 3150 K CB -0.034 32.477 32.500 0.018 0.000 1.386 3150 K HN 0.848 nan 8.250 nan 0.000 0.280 3151 G N -1.253 107.563 108.800 0.027 0.000 2.335 3151 G HA2 0.267 4.226 3.960 -0.001 0.000 0.291 3151 G HA3 0.267 4.226 3.960 -0.001 0.000 0.291 3151 G C -1.704 173.194 174.900 -0.003 0.000 1.261 3151 G CA -0.804 44.309 45.100 0.022 0.000 0.871 3151 G HN 0.033 nan 8.290 nan 0.000 0.491 3152 V N 0.714 120.615 119.914 -0.022 0.000 2.409 3152 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 3152 V C -0.717 175.302 176.094 -0.126 0.000 1.020 3152 V CA -0.602 61.651 62.300 -0.077 0.000 0.848 3152 V CB 1.241 33.000 31.823 -0.106 0.000 0.990 3152 V HN 0.818 nan 8.190 nan 0.000 0.430 3153 L N 7.910 129.017 121.223 -0.193 0.000 2.313 3153 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 3153 L C -0.350 176.358 176.870 -0.271 0.000 1.013 3153 L CA -0.150 54.465 54.840 -0.375 0.000 0.816 3153 L CB 1.750 43.488 42.059 -0.535 0.000 1.236 3153 L HN 0.562 nan 8.230 nan 0.000 0.419 3154 V N 1.533 121.297 119.914 -0.250 0.000 2.864 3154 V HA 0.610 4.730 4.120 -0.001 0.000 0.314 3154 V C -0.357 175.663 176.094 -0.123 0.000 1.073 3154 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 3154 V CB 1.858 33.631 31.823 -0.082 0.000 1.023 3154 V HN 0.828 nan 8.190 nan 0.000 0.435 3155 D N 1.055 121.409 120.400 -0.076 0.000 3.085 3155 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 3155 D C -0.152 176.142 176.300 -0.010 0.000 1.232 3155 D CA -0.276 53.695 54.000 -0.048 0.000 0.913 3155 D CB 0.308 41.085 40.800 -0.040 0.000 1.108 3155 D HN 0.527 nan 8.370 nan 0.000 0.468 3156 K N 0.474 120.879 120.400 0.009 0.000 2.340 3156 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 3156 K C 0.161 176.786 176.600 0.041 0.000 0.973 3156 K CA -0.810 55.500 56.287 0.038 0.000 0.828 3156 K CB 2.270 34.822 32.500 0.087 0.000 1.226 3156 K HN 0.265 nan 8.250 nan 0.000 0.437 3157 E N 0.545 120.762 120.200 0.029 0.000 2.334 3157 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 3157 E C -0.657 175.943 176.600 0.000 0.000 0.958 3157 E CA -1.152 55.261 56.400 0.023 0.000 0.821 3157 E CB 0.899 30.609 29.700 0.017 0.000 1.269 3157 E HN 0.091 nan 8.360 nan 0.000 0.413 3158 R N 1.202 121.699 120.500 -0.006 0.000 2.242 3158 R HA 0.084 4.423 4.340 -0.001 0.000 0.334 3158 R C 0.853 177.134 176.300 -0.032 0.000 1.071 3158 R CA -0.154 55.928 56.100 -0.030 0.000 0.922 3158 R CB 0.878 31.164 30.300 -0.022 0.000 1.023 3158 R HN 0.581 nan 8.270 nan 0.000 0.458 3159 V N 1.977 121.862 119.914 -0.048 0.000 2.546 3159 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 3159 V C 0.737 176.801 176.094 -0.050 0.000 1.076 3159 V CA 2.010 64.280 62.300 -0.050 0.000 1.087 3159 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 3159 V HN 0.714 nan 8.190 nan 0.000 0.470 3160 S N -2.208 113.466 115.700 -0.044 0.000 2.536 3160 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 3160 S C 0.749 175.342 174.600 -0.012 0.000 1.101 3160 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 3160 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 3160 S HN 0.516 nan 8.310 nan 0.000 0.481 3161 A N 2.987 125.806 122.820 -0.002 0.000 2.125 3161 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 3161 A C 1.869 179.459 177.584 0.011 0.000 1.156 3161 A CA 1.627 53.667 52.037 0.006 0.000 0.671 3161 A CB -0.586 18.419 19.000 0.009 0.000 0.794 3161 A HN 0.894 nan 8.150 nan 0.000 0.459 3162 Q N -1.088 118.723 119.800 0.018 0.000 2.389 3162 Q HA 0.118 4.457 4.340 -0.001 0.000 0.204 3162 Q C 0.488 176.499 176.000 0.018 0.000 0.944 3162 Q CA 0.046 55.865 55.803 0.026 0.000 0.908 3162 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 3162 Q HN 0.684 nan 8.270 nan 0.000 0.493 3163 M N 1.899 121.503 119.600 0.007 0.000 2.255 3163 M HA 0.276 4.755 4.480 -0.001 0.000 0.336 3163 M C -2.080 174.219 176.300 -0.002 0.000 1.135 3163 M CA -2.022 53.277 55.300 -0.001 0.000 1.145 3163 M CB 0.685 33.274 32.600 -0.017 0.000 1.473 3163 M HN -0.084 nan 8.290 nan 0.000 0.462 3164 P HA 0.015 nan 4.420 nan 0.000 0.266 3164 P C -0.470 176.828 177.300 -0.003 0.000 1.193 3164 P CA 0.280 63.379 63.100 -0.001 0.000 0.770 3164 P CB 0.455 32.154 31.700 -0.002 0.000 0.836 3165 K N 1.443 121.845 120.400 0.003 0.000 2.393 3165 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 3165 K C 0.591 177.201 176.600 0.016 0.000 1.026 3165 K CA 0.544 56.837 56.287 0.009 0.000 1.064 3165 K CB 0.094 32.600 32.500 0.010 0.000 0.833 3165 K HN 0.507 nan 8.250 nan 0.000 0.521 3166 K N -0.872 119.536 120.400 0.012 0.000 2.568 3166 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 3166 K C -1.328 175.280 176.600 0.014 0.000 0.951 3166 K CA -0.920 55.378 56.287 0.019 0.000 0.854 3166 K CB 2.126 34.636 32.500 0.017 0.000 1.424 3166 K HN -0.279 nan 8.250 nan 0.000 0.427 3167 V N 1.447 121.374 119.914 0.021 0.000 2.525 3167 V HA 0.400 4.520 4.120 -0.001 0.000 0.299 3167 V C -0.404 175.705 176.094 0.025 0.000 1.034 3167 V CA -0.598 61.712 62.300 0.017 0.000 0.863 3167 V CB 1.807 33.638 31.823 0.013 0.000 0.999 3167 V HN 1.005 nan 8.190 nan 0.000 0.423 3168 T N -0.052 114.513 114.554 0.018 0.000 2.902 3168 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 3168 T C 0.167 174.878 174.700 0.018 0.000 1.009 3168 T CA -0.221 61.890 62.100 0.018 0.000 1.051 3168 T CB 1.275 70.150 68.868 0.011 0.000 0.999 3168 T HN 0.799 nan 8.240 nan 0.000 0.474 3169 D N 0.397 120.809 120.400 0.019 0.000 2.689 3169 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 3169 D C 0.323 176.638 176.300 0.025 0.000 1.148 3169 D CA 0.836 54.848 54.000 0.019 0.000 0.656 3169 D CB -1.258 39.551 40.800 0.014 0.000 1.050 3169 D HN 1.107 nan 8.370 nan 0.000 0.426 3170 A N 1.395 124.236 122.820 0.034 0.000 2.477 3170 A HA 0.353 4.672 4.320 -0.001 0.000 0.246 3170 A C 0.505 178.117 177.584 0.047 0.000 1.078 3170 A CA 0.189 52.252 52.037 0.043 0.000 0.770 3170 A CB 0.547 19.584 19.000 0.062 0.000 1.011 3170 A HN 0.156 nan 8.150 nan 0.000 0.494 3171 K N 3.018 123.444 120.400 0.044 0.000 2.347 3171 K HA 0.386 4.706 4.320 -0.001 0.000 0.262 3171 K C -1.195 175.441 176.600 0.061 0.000 1.052 3171 K CA -0.244 56.071 56.287 0.046 0.000 0.946 3171 K CB 0.932 33.452 32.500 0.032 0.000 1.220 3171 K HN 0.524 nan 8.250 nan 0.000 0.450 3172 I N 2.143 122.766 120.570 0.088 0.000 2.342 3172 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 3172 I C 0.372 176.561 176.117 0.120 0.000 1.010 3172 I CA -0.172 61.214 61.300 0.142 0.000 1.308 3172 I CB 1.363 39.482 38.000 0.199 0.000 1.400 3172 I HN 0.508 nan 8.210 nan 0.000 0.488 3173 A N 7.591 130.486 122.820 0.125 0.000 2.330 3173 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 3173 A C -0.766 176.905 177.584 0.145 0.000 1.155 3173 A CA -0.562 51.535 52.037 0.099 0.000 0.803 3173 A CB 0.639 19.674 19.000 0.058 0.000 1.208 3173 A HN 0.658 nan 8.150 nan 0.000 0.477 3174 L N 3.455 124.743 121.223 0.108 0.000 2.318 3174 L HA 0.463 4.802 4.340 -0.001 0.000 0.277 3174 L C -1.045 175.866 176.870 0.069 0.000 1.008 3174 L CA -0.100 54.803 54.840 0.105 0.000 0.846 3174 L CB 1.035 43.135 42.059 0.067 0.000 1.220 3174 L HN 0.571 nan 8.230 nan 0.000 0.423 3175 L N 3.117 124.383 121.223 0.071 0.000 2.341 3175 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 3175 L C 0.531 177.428 176.870 0.044 0.000 1.005 3175 L CA -0.567 54.301 54.840 0.047 0.000 0.818 3175 L CB 1.964 44.046 42.059 0.039 0.000 1.259 3175 L HN 0.584 nan 8.230 nan 0.000 0.418 3176 N N 0.190 118.908 118.700 0.031 0.000 2.353 3176 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 3176 N C 0.238 175.760 175.510 0.020 0.000 1.098 3176 N CA -0.209 52.856 53.050 0.025 0.000 0.872 3176 N CB 0.173 38.670 38.487 0.018 0.000 0.970 3176 N HN 0.412 nan 8.380 nan 0.000 0.467 3177 C N 1.508 120.819 119.300 0.019 0.000 2.435 3177 C HA 0.767 5.226 4.460 -0.001 0.000 0.375 3177 C C 0.949 175.947 174.990 0.015 0.000 1.281 3177 C CA -0.987 58.041 59.018 0.015 0.000 1.963 3177 C CB -1.250 26.499 27.740 0.015 0.000 2.490 3177 C HN 0.577 nan 8.230 nan 0.000 0.557 3178 A N 6.577 129.403 122.820 0.010 0.000 2.520 3178 A HA 0.362 4.682 4.320 -0.001 0.000 0.235 3178 A C 0.420 178.008 177.584 0.005 0.000 1.065 3178 A CA 0.004 52.045 52.037 0.006 0.000 0.764 3178 A CB 0.072 19.074 19.000 0.003 0.000 1.002 3178 A HN 0.815 nan 8.150 nan 0.000 0.502 3179 I N 2.442 123.013 120.570 0.001 0.000 2.191 3179 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 3179 I C 0.116 176.230 176.117 -0.005 0.000 1.141 3179 I CA 0.727 62.027 61.300 0.001 0.000 1.430 3179 I CB -1.538 36.459 38.000 -0.004 0.000 1.497 3179 I HN 0.609 nan 8.210 nan 0.000 0.636 3180 E N 2.943 123.143 120.200 -0.000 0.000 2.283 3180 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 3180 E C -0.794 175.809 176.600 0.006 0.000 0.893 3180 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 3180 E CB 2.335 32.031 29.700 -0.006 0.000 1.242 3180 E HN 0.199 nan 8.360 nan 0.000 0.414 3181 E N 1.893 122.098 120.200 0.009 0.000 2.278 3181 E HA 0.181 4.530 4.350 -0.001 0.000 0.272 3181 E C -1.155 175.456 176.600 0.018 0.000 0.890 3181 E CA -0.554 55.857 56.400 0.017 0.000 0.770 3181 E CB 1.894 31.611 29.700 0.028 0.000 1.212 3181 E HN 0.276 nan 8.360 nan 0.000 0.415 3182 T N 2.891 117.454 114.554 0.016 0.000 2.940 3182 T HA 0.483 4.833 4.350 -0.001 0.000 0.309 3182 T C -0.242 174.474 174.700 0.026 0.000 1.056 3182 T CA 0.893 63.003 62.100 0.017 0.000 1.137 3182 T CB -0.253 68.623 68.868 0.013 0.000 0.976 3182 T HN 1.324 nan 8.240 nan 0.000 0.547 3183 A N 3.178 126.015 122.820 0.029 0.000 2.435 3183 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 3183 A C 1.256 178.881 177.584 0.069 0.000 0.138 3183 A CA 0.500 52.562 52.037 0.042 0.000 0.024 3183 A CB -1.854 17.168 19.000 0.036 0.000 3.974 3183 A HN 1.874 nan 8.150 nan 0.000 0.548 3184 S N 0.626 116.384 115.700 0.096 0.000 2.489 3184 S HA -0.013 4.457 4.470 -0.001 0.000 0.228 3184 S C 1.367 176.087 174.600 0.199 0.000 0.995 3184 S CA 1.429 59.744 58.200 0.192 0.000 0.934 3184 S CB 0.076 63.413 63.200 0.229 0.000 0.771 3184 S HN 1.162 nan 8.310 nan 0.000 0.522 3185 E N 1.884 122.145 120.200 0.102 0.000 2.046 3185 E HA 0.045 4.394 4.350 -0.001 0.000 0.190 3185 E C 1.994 178.622 176.600 0.046 0.000 0.982 3185 E CA 1.408 57.840 56.400 0.053 0.000 0.800 3185 E CB -0.418 29.301 29.700 0.032 0.000 0.756 3185 E HN 0.594 nan 8.360 nan 0.000 0.449 3186 M N -0.523 119.109 119.600 0.053 0.000 2.200 3186 M HA -0.041 4.438 4.480 -0.001 0.000 0.265 3186 M C 2.039 178.375 176.300 0.060 0.000 1.066 3186 M CA 0.649 55.975 55.300 0.043 0.000 1.127 3186 M CB -0.110 32.511 32.600 0.035 0.000 1.379 3186 M HN 0.194 nan 8.290 nan 0.000 0.420 3187 L N 0.958 122.237 121.223 0.093 0.000 2.093 3187 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 3187 L C 2.410 179.391 176.870 0.186 0.000 1.085 3187 L CA 1.825 56.739 54.840 0.123 0.000 0.755 3187 L CB -0.697 41.436 42.059 0.125 0.000 0.904 3187 L HN 0.147 nan 8.230 nan 0.000 0.435 3188 K N -0.372 120.152 120.400 0.207 0.000 2.057 3188 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 3188 K C 1.568 178.166 176.600 -0.004 0.000 1.049 3188 K CA 1.825 58.141 56.287 0.049 0.000 0.931 3188 K CB -0.298 32.078 32.500 -0.207 0.000 0.714 3188 K HN 0.374 nan 8.250 nan 0.000 0.440 3189 D N 0.616 121.022 120.400 0.009 0.000 2.178 3189 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 3189 D C 2.014 178.323 176.300 0.015 0.000 0.974 3189 D CA 1.026 55.026 54.000 0.001 0.000 0.841 3189 D CB -0.083 40.720 40.800 0.005 0.000 0.953 3189 D HN 0.290 nan 8.370 nan 0.000 0.478 3190 M N -0.130 119.490 119.600 0.034 0.000 2.117 3190 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 3190 M C 2.251 178.574 176.300 0.037 0.000 1.065 3190 M CA 0.866 56.188 55.300 0.036 0.000 1.114 3190 M CB -0.043 32.584 32.600 0.044 0.000 1.361 3190 M HN -0.115 nan 8.290 nan 0.000 0.408 3191 V N 0.200 120.148 119.914 0.056 0.000 2.358 3191 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 3191 V C 2.579 178.689 176.094 0.026 0.000 1.047 3191 V CA 1.904 64.239 62.300 0.058 0.000 1.035 3191 V CB -1.127 30.766 31.823 0.117 0.000 0.658 3191 V HN 0.511 nan 8.190 nan 0.000 0.452 3192 A N -0.083 122.740 122.820 0.006 0.000 1.969 3192 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 3192 A C 2.175 179.759 177.584 -0.001 0.000 1.169 3192 A CA 1.926 53.957 52.037 -0.010 0.000 0.635 3192 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 3192 A HN 0.550 nan 8.150 nan 0.000 0.445 3193 E N 0.284 120.488 120.200 0.006 0.000 2.107 3193 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 3193 E C 1.654 178.260 176.600 0.011 0.000 0.982 3193 E CA 1.154 57.559 56.400 0.008 0.000 0.809 3193 E CB -0.358 29.349 29.700 0.011 0.000 0.756 3193 E HN 0.644 nan 8.360 nan 0.000 0.459 3194 I N 0.247 120.826 120.570 0.014 0.000 2.252 3194 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 3194 I C 2.272 178.396 176.117 0.011 0.000 1.102 3194 I CA 1.142 62.450 61.300 0.014 0.000 1.385 3194 I CB -0.241 37.769 38.000 0.016 0.000 1.064 3194 I HN 0.062 nan 8.210 nan 0.000 0.414 3195 K N 1.794 122.200 120.400 0.009 0.000 2.063 3195 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 3195 K C 2.036 178.638 176.600 0.005 0.000 1.048 3195 K CA 1.732 58.022 56.287 0.006 0.000 0.928 3195 K CB -0.393 32.108 32.500 0.002 0.000 0.713 3195 K HN 0.270 nan 8.250 nan 0.000 0.442 3196 A N 0.279 123.101 122.820 0.004 0.000 1.972 3196 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 3196 A C 2.140 179.728 177.584 0.007 0.000 1.169 3196 A CA 2.142 54.181 52.037 0.004 0.000 0.635 3196 A CB -1.016 17.986 19.000 0.003 0.000 0.810 3196 A HN 0.568 nan 8.150 nan 0.000 0.446 3197 S N -1.672 114.034 115.700 0.009 0.000 2.447 3197 S HA 0.239 4.709 4.470 -0.001 0.000 0.233 3197 S C 1.646 176.254 174.600 0.013 0.000 1.006 3197 S CA 1.452 59.660 58.200 0.012 0.000 0.957 3197 S CB -0.559 62.651 63.200 0.016 0.000 0.773 3197 S HN 1.988 nan 8.310 nan 0.000 0.507 3198 G N 0.656 109.463 108.800 0.011 0.000 2.175 3198 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 3198 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 3198 G C 0.254 175.162 174.900 0.014 0.000 0.982 3198 G CA 0.027 45.134 45.100 0.012 0.000 0.641 3198 G HN 1.368 nan 8.290 nan 0.000 0.527 3199 A N -0.001 122.828 122.820 0.015 0.000 2.498 3199 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 3199 A C 1.171 178.760 177.584 0.008 0.000 1.068 3199 A CA 0.961 53.008 52.037 0.017 0.000 0.766 3199 A CB 0.196 19.208 19.000 0.020 0.000 1.003 3199 A HN 0.364 nan 8.150 nan 0.000 0.497 3200 N N 0.333 119.037 118.700 0.007 0.000 2.382 3200 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 3200 N C -0.643 174.851 175.510 -0.027 0.000 1.122 3200 N CA 0.492 53.539 53.050 -0.004 0.000 0.870 3200 N CB 0.882 39.372 38.487 0.004 0.000 1.176 3200 N HN 0.381 nan 8.380 nan 0.000 0.474 3201 V N 2.359 122.255 119.914 -0.030 0.000 2.495 3201 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 3201 V C -0.874 175.149 176.094 -0.119 0.000 1.031 3201 V CA -0.824 61.414 62.300 -0.103 0.000 0.871 3201 V CB 2.364 34.160 31.823 -0.045 0.000 0.988 3201 V HN 0.002 nan 8.190 nan 0.000 0.432 3202 L N 5.627 126.703 121.223 -0.245 0.000 2.372 3202 L HA 0.670 5.009 4.340 -0.001 0.000 0.274 3202 L C -1.324 175.348 176.870 -0.329 0.000 0.988 3202 L CA 0.013 54.752 54.840 -0.170 0.000 0.833 3202 L CB 1.285 43.291 42.059 -0.089 0.000 1.236 3202 L HN 0.472 nan 8.230 nan 0.000 0.410 3203 F N 4.947 124.898 119.950 0.002 0.000 2.361 3203 F HA 0.419 4.945 4.527 -0.001 0.000 0.364 3203 F C 0.256 176.055 175.800 -0.003 0.000 1.117 3203 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 3203 F CB 1.239 40.236 39.000 -0.004 0.000 1.188 3203 F HN 0.489 nan 8.300 nan 0.000 0.464 3204 C N 5.167 124.542 119.300 0.125 0.000 2.295 3204 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 3204 C C 1.680 176.716 174.990 0.077 0.000 1.280 3204 C CA -0.463 58.601 59.018 0.076 0.000 1.746 3204 C CB 0.638 28.395 27.740 0.029 0.000 2.328 3204 C HN 0.937 nan 8.230 nan 0.000 0.521 3205 Q N 3.339 123.175 119.800 0.061 0.000 2.084 3205 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 3205 Q C 0.852 176.869 176.000 0.029 0.000 0.978 3205 Q CA 1.631 57.459 55.803 0.043 0.000 0.844 3205 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 3205 Q HN 0.760 nan 8.270 nan 0.000 0.426 3206 K N -1.145 119.269 120.400 0.023 0.000 2.646 3206 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 3206 K C 0.392 176.998 176.600 0.009 0.000 1.026 3206 K CA -0.191 56.104 56.287 0.013 0.000 1.043 3206 K CB 0.063 32.568 32.500 0.009 0.000 1.383 3206 K HN 0.105 nan 8.250 nan 0.000 0.513 3207 G N 0.279 109.079 108.800 0.000 0.000 2.634 3207 G HA2 0.397 4.357 3.960 -0.001 0.000 0.255 3207 G HA3 0.397 4.357 3.960 -0.001 0.000 0.255 3207 G C -0.498 174.393 174.900 -0.015 0.000 1.205 3207 G CA -0.523 44.572 45.100 -0.009 0.000 0.884 3207 G HN 0.371 nan 8.290 nan 0.000 0.549 3208 I N 0.453 121.006 120.570 -0.028 0.000 2.447 3208 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 3208 I C -0.514 175.567 176.117 -0.059 0.000 1.023 3208 I CA -0.747 60.528 61.300 -0.041 0.000 1.083 3208 I CB 2.038 40.009 38.000 -0.049 0.000 1.245 3208 I HN 0.414 nan 8.210 nan 0.000 0.434 3209 D N 5.365 125.730 120.400 -0.059 0.000 2.414 3209 D HA -0.042 4.598 4.640 -0.001 0.000 0.242 3209 D C 0.667 176.891 176.300 -0.127 0.000 1.129 3209 D CA 0.161 54.117 54.000 -0.074 0.000 0.885 3209 D CB 1.315 42.080 40.800 -0.058 0.000 1.198 3209 D HN 0.500 nan 8.370 nan 0.000 0.437 3210 D N 3.189 123.502 120.400 -0.144 0.000 2.190 3210 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 3210 D C 1.844 177.927 176.300 -0.362 0.000 0.992 3210 D CA 0.553 54.403 54.000 -0.251 0.000 0.854 3210 D CB 0.155 40.849 40.800 -0.177 0.000 0.936 3210 D HN 0.475 nan 8.370 nan 0.000 0.462 3211 L N 0.528 121.631 121.223 -0.201 0.000 2.056 3211 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 3211 L C 2.327 178.980 176.870 -0.362 0.000 1.078 3211 L CA 1.245 55.956 54.840 -0.215 0.000 0.749 3211 L CB -0.143 41.819 42.059 -0.162 0.000 0.901 3211 L HN -0.046 nan 8.230 nan 0.000 0.433 3212 A N -0.847 121.841 122.820 -0.221 0.000 1.969 3212 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 3212 A C 2.063 179.579 177.584 -0.114 0.000 1.169 3212 A CA 1.447 53.409 52.037 -0.125 0.000 0.635 3212 A CB -0.407 18.563 19.000 -0.050 0.000 0.810 3212 A HN 0.595 nan 8.150 nan 0.000 0.445 3213 Q N -1.116 118.564 119.800 -0.199 0.000 2.170 3213 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 3213 Q C 1.933 177.841 176.000 -0.154 0.000 0.976 3213 Q CA 1.358 57.046 55.803 -0.192 0.000 0.858 3213 Q CB -0.253 28.317 28.738 -0.280 0.000 0.907 3213 Q HN 0.748 nan 8.270 nan 0.000 0.433 3214 H N -0.795 118.209 119.070 -0.110 0.000 2.321 3214 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 3214 H C 1.745 177.114 175.328 0.068 0.000 1.087 3214 H CA 1.262 57.264 56.048 -0.077 0.000 1.319 3214 H CB -0.218 29.430 29.762 -0.189 0.000 1.379 3214 H HN 0.305 nan 8.280 nan 0.000 0.501 3215 Y N 0.657 121.025 120.300 0.113 0.000 2.314 3215 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 3215 Y C 2.810 178.727 175.900 0.028 0.000 1.129 3215 Y CA 0.109 58.244 58.100 0.057 0.000 1.201 3215 Y CB -0.903 37.582 38.460 0.041 0.000 0.999 3215 Y HN 0.056 nan 8.280 nan 0.000 0.541 3216 L N -0.761 120.563 121.223 0.167 0.000 2.046 3216 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 3216 L C 2.631 179.534 176.870 0.056 0.000 1.077 3216 L CA 1.256 56.142 54.840 0.076 0.000 0.747 3216 L CB -0.778 41.293 42.059 0.021 0.000 0.896 3216 L HN 0.158 nan 8.230 nan 0.000 0.432 3217 A N -0.055 122.804 122.820 0.065 0.000 1.930 3217 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 3217 A C 2.299 179.923 177.584 0.066 0.000 1.175 3217 A CA 1.504 53.575 52.037 0.056 0.000 0.627 3217 A CB -0.307 18.733 19.000 0.067 0.000 0.815 3217 A HN 0.313 nan 8.150 nan 0.000 0.443 3218 K N -0.381 120.079 120.400 0.100 0.000 2.211 3218 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 3218 K C 1.190 177.817 176.600 0.044 0.000 1.050 3218 K CA 1.162 57.497 56.287 0.079 0.000 0.945 3218 K CB 0.006 32.572 32.500 0.110 0.000 0.732 3218 K HN 0.359 nan 8.250 nan 0.000 0.451 3219 E N -0.470 119.757 120.200 0.045 0.000 2.489 3219 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 3219 E C 0.877 177.486 176.600 0.016 0.000 1.057 3219 E CA 0.422 56.835 56.400 0.022 0.000 0.866 3219 E CB 0.642 30.355 29.700 0.022 0.000 0.916 3219 E HN 0.451 nan 8.360 nan 0.000 0.500 3220 G N 1.920 110.731 108.800 0.019 0.000 2.147 3220 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 3220 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 3220 G C 0.234 175.134 174.900 0.000 0.000 1.005 3220 G CA 0.173 45.279 45.100 0.010 0.000 0.713 3220 G HN 0.268 nan 8.290 nan 0.000 0.515 3221 I N 1.045 121.615 120.570 -0.000 0.000 2.342 3221 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 3221 I C 1.018 177.114 176.117 -0.036 0.000 1.010 3221 I CA -1.088 60.201 61.300 -0.017 0.000 1.308 3221 I CB 1.551 39.544 38.000 -0.012 0.000 1.400 3221 I HN 0.148 nan 8.210 nan 0.000 0.488 3222 V N 3.807 123.685 119.914 -0.061 0.000 2.509 3222 V HA 0.911 5.031 4.120 -0.001 0.000 0.284 3222 V C 0.063 176.062 176.094 -0.158 0.000 1.047 3222 V CA -0.282 61.963 62.300 -0.091 0.000 0.952 3222 V CB 1.172 32.941 31.823 -0.089 0.000 0.988 3222 V HN 0.820 nan 8.190 nan 0.000 0.469 3223 A N 3.622 126.345 122.820 -0.162 0.000 2.515 3223 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 3223 A C -0.329 177.137 177.584 -0.197 0.000 1.059 3223 A CA -0.315 51.600 52.037 -0.202 0.000 0.698 3223 A CB 1.878 20.805 19.000 -0.121 0.000 1.289 3223 A HN 2.330 nan 8.150 nan 0.000 0.404 3224 A N 1.908 124.586 122.820 -0.237 0.000 2.359 3224 A HA 0.739 5.058 4.320 -0.001 0.000 0.303 3224 A C -0.009 177.562 177.584 -0.023 0.000 1.066 3224 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 3224 A CB 0.780 19.734 19.000 -0.076 0.000 1.211 3224 A HN 1.205 nan 8.150 nan 0.000 0.439 3225 R N 1.839 122.335 120.500 -0.007 0.000 2.700 3225 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 3225 R C -0.363 175.954 176.300 0.027 0.000 1.091 3225 R CA -0.782 55.324 56.100 0.009 0.000 1.104 3225 R CB 0.405 30.698 30.300 -0.012 0.000 1.202 3225 R HN 0.493 nan 8.270 nan 0.000 0.532 3226 R N -0.925 119.589 120.500 0.023 0.000 3.516 3226 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 3226 R C -0.681 175.638 176.300 0.032 0.000 1.098 3226 R CA 0.569 56.681 56.100 0.021 0.000 0.732 3226 R CB -2.619 27.688 30.300 0.010 0.000 1.152 3226 R HN 0.528 nan 8.270 nan 0.000 0.455 3227 V N 1.410 121.356 119.914 0.053 0.000 2.572 3227 V HA 0.036 4.155 4.120 -0.001 0.000 0.291 3227 V C 1.468 177.576 176.094 0.024 0.000 1.039 3227 V CA -0.020 62.316 62.300 0.061 0.000 1.055 3227 V CB 1.180 33.072 31.823 0.114 0.000 0.969 3227 V HN 0.153 nan 8.190 nan 0.000 0.482 3228 K N 3.309 123.712 120.400 0.005 0.000 2.382 3228 K HA 0.030 4.350 4.320 -0.001 0.000 0.275 3228 K C 1.209 177.800 176.600 -0.015 0.000 1.009 3228 K CA -0.319 55.964 56.287 -0.008 0.000 0.970 3228 K CB 0.549 33.038 32.500 -0.017 0.000 0.934 3228 K HN 0.608 nan 8.250 nan 0.000 0.479 3229 K N 1.974 122.367 120.400 -0.012 0.000 2.074 3229 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 3229 K C 1.914 178.499 176.600 -0.026 0.000 1.048 3229 K CA 2.229 58.507 56.287 -0.014 0.000 0.926 3229 K CB -0.554 31.940 32.500 -0.010 0.000 0.713 3229 K HN 0.583 nan 8.250 nan 0.000 0.444 3230 S N 0.181 115.864 115.700 -0.029 0.000 2.359 3230 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 3230 S C 1.401 175.966 174.600 -0.058 0.000 1.035 3230 S CA 1.785 59.963 58.200 -0.038 0.000 1.018 3230 S CB -0.555 62.625 63.200 -0.034 0.000 0.876 3230 S HN 0.424 nan 8.310 nan 0.000 0.448 3231 D N 0.913 121.273 120.400 -0.067 0.000 2.144 3231 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 3231 D C 2.001 178.214 176.300 -0.145 0.000 0.984 3231 D CA 0.977 54.911 54.000 -0.111 0.000 0.834 3231 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 3231 D HN 0.382 nan 8.370 nan 0.000 0.465 3232 M N 0.480 120.022 119.600 -0.096 0.000 2.159 3232 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 3232 M C 1.888 178.140 176.300 -0.080 0.000 1.063 3232 M CA 1.201 56.450 55.300 -0.085 0.000 1.110 3232 M CB -0.753 31.829 32.600 -0.031 0.000 1.374 3232 M HN 0.119 nan 8.290 nan 0.000 0.411 3233 E N 0.016 120.177 120.200 -0.065 0.000 2.076 3233 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 3233 E C 2.064 178.625 176.600 -0.064 0.000 0.979 3233 E CA 0.794 57.162 56.400 -0.052 0.000 0.807 3233 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 3233 E HN 0.494 nan 8.360 nan 0.000 0.454 3234 K N 0.680 121.031 120.400 -0.082 0.000 2.097 3234 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 3234 K C 2.197 178.733 176.600 -0.107 0.000 1.049 3234 K CA 0.834 57.069 56.287 -0.086 0.000 0.933 3234 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 3234 K HN 0.106 nan 8.250 nan 0.000 0.442 3235 L N 0.475 121.601 121.223 -0.162 0.000 2.093 3235 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 3235 L C 2.580 179.385 176.870 -0.108 0.000 1.085 3235 L CA 1.030 55.750 54.840 -0.200 0.000 0.755 3235 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 3235 L HN 0.193 nan 8.230 nan 0.000 0.435 3236 A N 0.088 122.861 122.820 -0.078 0.000 1.930 3236 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 3236 A C 2.321 179.890 177.584 -0.025 0.000 1.175 3236 A CA 1.526 53.541 52.037 -0.037 0.000 0.627 3236 A CB -0.280 18.703 19.000 -0.028 0.000 0.815 3236 A HN 0.306 nan 8.150 nan 0.000 0.443 3237 K N -0.314 120.067 120.400 -0.032 0.000 2.026 3237 K HA -0.041 4.279 4.320 -0.001 0.000 0.208 3237 K C 2.334 178.929 176.600 -0.008 0.000 1.048 3237 K CA 1.198 57.474 56.287 -0.019 0.000 0.929 3237 K CB -0.284 32.202 32.500 -0.024 0.000 0.713 3237 K HN 0.437 nan 8.250 nan 0.000 0.439 3238 A N 1.024 123.832 122.820 -0.020 0.000 1.854 3238 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 3238 A C 2.287 179.877 177.584 0.010 0.000 1.192 3238 A CA 2.035 54.068 52.037 -0.007 0.000 0.611 3238 A CB -0.942 18.042 19.000 -0.027 0.000 0.832 3238 A HN 0.452 nan 8.150 nan 0.000 0.442 3239 T N -4.302 110.252 114.554 0.001 0.000 3.043 3239 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 3239 T C 1.485 176.203 174.700 0.030 0.000 1.094 3239 T CA 1.234 63.346 62.100 0.020 0.000 1.127 3239 T CB -0.133 68.748 68.868 0.021 0.000 0.905 3239 T HN 1.772 nan 8.240 nan 0.000 0.490 3240 G N 1.527 110.339 108.800 0.020 0.000 2.143 3240 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.248 3240 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.248 3240 G C 0.282 175.194 174.900 0.020 0.000 0.991 3240 G CA 0.035 45.148 45.100 0.022 0.000 0.689 3240 G HN 1.208 nan 8.290 nan 0.000 0.522 3241 A N -0.327 122.504 122.820 0.018 0.000 2.445 3241 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 3241 A C 0.459 178.053 177.584 0.017 0.000 1.075 3241 A CA 0.550 52.602 52.037 0.025 0.000 0.777 3241 A CB 0.377 19.398 19.000 0.034 0.000 1.013 3241 A HN 0.817 nan 8.150 nan 0.000 0.493 3242 N N 1.658 120.371 118.700 0.021 0.000 2.444 3242 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 3242 N C -0.874 174.648 175.510 0.020 0.000 0.974 3242 N CA -0.356 52.704 53.050 0.016 0.000 0.933 3242 N CB 1.158 39.654 38.487 0.015 0.000 1.137 3242 N HN 0.288 nan 8.380 nan 0.000 0.498 3243 V N 4.913 124.835 119.914 0.014 0.000 2.485 3243 V HA 0.141 4.261 4.120 -0.001 0.000 0.287 3243 V C 0.400 176.505 176.094 0.017 0.000 1.022 3243 V CA -0.064 62.246 62.300 0.017 0.000 1.067 3243 V CB -0.123 31.705 31.823 0.009 0.000 0.967 3243 V HN 0.516 nan 8.190 nan 0.000 0.479 3244 I N 4.133 124.716 120.570 0.022 0.000 2.441 3244 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 3244 I C 0.986 177.114 176.117 0.018 0.000 0.994 3244 I CA -0.337 60.974 61.300 0.019 0.000 1.144 3244 I CB 1.314 39.327 38.000 0.021 0.000 1.314 3244 I HN 0.635 nan 8.210 nan 0.000 0.445 3245 A N 5.623 128.451 122.820 0.014 0.000 1.832 3245 A HA 0.354 4.674 4.320 -0.001 0.000 0.214 3245 A C 1.079 178.671 177.584 0.014 0.000 1.204 3245 A CA 1.094 53.139 52.037 0.013 0.000 0.606 3245 A CB -0.176 18.830 19.000 0.010 0.000 0.849 3245 A HN 0.733 nan 8.150 nan 0.000 0.445 3246 A N -1.020 121.808 122.820 0.013 0.000 2.317 3246 A HA 0.645 4.964 4.320 -0.001 0.000 0.327 3246 A C 0.738 178.330 177.584 0.014 0.000 1.178 3246 A CA -0.593 51.451 52.037 0.013 0.000 0.817 3246 A CB 0.401 19.407 19.000 0.011 0.000 1.189 3246 A HN 0.364 nan 8.150 nan 0.000 0.489 3247 I N 1.823 122.402 120.570 0.015 0.000 2.335 3247 I HA -0.332 3.838 4.170 -0.001 0.000 0.251 3247 I C 2.755 178.881 176.117 0.014 0.000 1.129 3247 I CA 1.637 62.947 61.300 0.016 0.000 1.402 3247 I CB -0.247 37.763 38.000 0.016 0.000 1.069 3247 I HN 0.778 nan 8.210 nan 0.000 0.424 3248 A N 0.819 123.646 122.820 0.012 0.000 1.917 3248 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 3248 A C 2.505 180.095 177.584 0.010 0.000 1.182 3248 A CA 2.091 54.134 52.037 0.010 0.000 0.633 3248 A CB -0.745 18.261 19.000 0.009 0.000 0.819 3248 A HN 0.460 nan 8.150 nan 0.000 0.448 3249 A N -1.297 121.529 122.820 0.011 0.000 2.067 3249 A HA 0.291 4.611 4.320 -0.001 0.000 0.217 3249 A C 1.023 178.615 177.584 0.012 0.000 1.156 3249 A CA 0.472 52.515 52.037 0.011 0.000 0.683 3249 A CB -0.451 18.555 19.000 0.010 0.000 0.808 3249 A HN 0.598 nan 8.150 nan 0.000 0.455 3250 L N 1.818 123.050 121.223 0.014 0.000 2.477 3250 L HA 0.360 4.700 4.340 -0.001 0.000 0.272 3250 L C 0.379 177.258 176.870 0.015 0.000 1.157 3250 L CA 0.504 55.353 54.840 0.016 0.000 0.889 3250 L CB 0.387 42.458 42.059 0.019 0.000 1.158 3250 L HN 0.344 nan 8.230 nan 0.000 0.473 3251 S N 3.375 119.084 115.700 0.015 0.000 2.704 3251 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 3251 S C 0.835 175.445 174.600 0.016 0.000 1.138 3251 S CA -0.349 57.859 58.200 0.014 0.000 0.875 3251 S CB 1.277 64.484 63.200 0.012 0.000 1.151 3251 S HN 0.811 nan 8.310 nan 0.000 0.500 3252 A N 0.372 123.201 122.820 0.015 0.000 2.024 3252 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 3252 A C 2.021 179.616 177.584 0.018 0.000 1.164 3252 A CA 1.526 53.573 52.037 0.016 0.000 0.643 3252 A CB -1.059 17.949 19.000 0.014 0.000 0.806 3252 A HN 0.857 nan 8.150 nan 0.000 0.451 3253 Q N -0.518 119.292 119.800 0.016 0.000 2.436 3253 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 3253 Q C 0.546 176.557 176.000 0.018 0.000 0.965 3253 Q CA 0.980 56.793 55.803 0.016 0.000 0.910 3253 Q CB 0.011 28.757 28.738 0.013 0.000 0.980 3253 Q HN 0.612 nan 8.270 nan 0.000 0.491 3254 D N -0.202 120.209 120.400 0.020 0.000 2.350 3254 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 3254 D C -0.146 176.171 176.300 0.028 0.000 1.031 3254 D CA 0.223 54.236 54.000 0.022 0.000 0.861 3254 D CB 0.374 41.187 40.800 0.021 0.000 0.926 3254 D HN 0.096 nan 8.370 nan 0.000 0.520 3255 L N 0.964 122.205 121.223 0.031 0.000 2.380 3255 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 3255 L C 1.284 178.177 176.870 0.040 0.000 1.138 3255 L CA -0.032 54.831 54.840 0.039 0.000 0.832 3255 L CB 1.017 43.097 42.059 0.036 0.000 1.124 3255 L HN -0.174 nan 8.230 nan 0.000 0.454 3256 G N 1.177 110.006 108.800 0.048 0.000 2.488 3256 G HA2 0.535 4.495 3.960 -0.001 0.000 0.318 3256 G HA3 0.535 4.495 3.960 -0.001 0.000 0.318 3256 G C -1.112 173.819 174.900 0.051 0.000 1.188 3256 G CA -0.461 44.667 45.100 0.046 0.000 0.944 3256 G HN 0.529 nan 8.290 nan 0.000 0.495 3257 D N -0.393 120.036 120.400 0.047 0.000 2.350 3257 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 3257 D C -0.250 176.076 176.300 0.044 0.000 1.036 3257 D CA 0.067 54.093 54.000 0.045 0.000 0.848 3257 D CB 1.971 42.794 40.800 0.039 0.000 1.307 3257 D HN 0.592 nan 8.370 nan 0.000 0.469 3258 A N 0.305 123.152 122.820 0.046 0.000 2.488 3258 A HA 0.623 4.942 4.320 -0.001 0.000 0.298 3258 A C 0.961 178.567 177.584 0.037 0.000 1.044 3258 A CA -0.414 51.650 52.037 0.045 0.000 0.693 3258 A CB 1.614 20.655 19.000 0.069 0.000 1.272 3258 A HN 0.487 nan 8.150 nan 0.000 0.402 3259 G N 0.328 109.143 108.800 0.025 0.000 2.408 3259 G HA2 0.300 4.260 3.960 -0.001 0.000 0.217 3259 G HA3 0.300 4.260 3.960 -0.001 0.000 0.217 3259 G C 0.284 175.200 174.900 0.026 0.000 1.150 3259 G CA 1.651 46.762 45.100 0.018 0.000 0.776 3259 G HN 1.220 nan 8.290 nan 0.000 0.542 3260 L N 0.122 121.368 121.223 0.039 0.000 2.562 3260 L HA 0.583 4.923 4.340 -0.001 0.000 0.266 3260 L C -1.331 175.585 176.870 0.077 0.000 0.949 3260 L CA -0.733 54.135 54.840 0.047 0.000 0.879 3260 L CB 2.420 44.499 42.059 0.033 0.000 1.278 3260 L HN -0.148 nan 8.230 nan 0.000 0.404 3261 V N 4.495 124.459 119.914 0.084 0.000 2.334 3261 V HA 0.625 4.744 4.120 -0.001 0.000 0.281 3261 V C -0.363 175.793 176.094 0.103 0.000 1.016 3261 V CA -0.426 61.947 62.300 0.121 0.000 0.832 3261 V CB 1.389 33.293 31.823 0.136 0.000 0.999 3261 V HN 0.823 nan 8.190 nan 0.000 0.439 3262 E N 3.269 123.552 120.200 0.138 0.000 2.292 3262 E HA 0.389 4.738 4.350 -0.001 0.000 0.272 3262 E C -0.880 175.820 176.600 0.167 0.000 0.881 3262 E CA -0.681 55.784 56.400 0.108 0.000 0.754 3262 E CB 2.066 31.800 29.700 0.057 0.000 1.201 3262 E HN 0.742 nan 8.360 nan 0.000 0.425 3263 E N 4.421 124.689 120.200 0.114 0.000 2.129 3263 E HA 0.200 4.549 4.350 -0.001 0.000 0.283 3263 E C -0.865 175.801 176.600 0.110 0.000 1.080 3263 E CA -0.159 56.318 56.400 0.128 0.000 0.867 3263 E CB 0.602 30.345 29.700 0.072 0.000 1.056 3263 E HN 0.346 nan 8.360 nan 0.000 0.404 3264 R N 3.596 124.205 120.500 0.183 0.000 2.750 3264 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 3264 R C -0.682 175.707 176.300 0.149 0.000 0.972 3264 R CA -0.924 55.229 56.100 0.088 0.000 0.912 3264 R CB 1.967 32.185 30.300 -0.136 0.000 1.187 3264 R HN 0.329 nan 8.270 nan 0.000 0.464 3265 K N 1.971 122.414 120.400 0.071 0.000 2.159 3265 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 3265 K C -0.757 175.887 176.600 0.073 0.000 0.975 3265 K CA -0.459 55.873 56.287 0.074 0.000 0.865 3265 K CB 1.738 34.261 32.500 0.038 0.000 1.087 3265 K HN 0.434 nan 8.250 nan 0.000 0.446 3266 I N 1.414 122.038 120.570 0.091 0.000 2.468 3266 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 3266 I C -0.634 175.513 176.117 0.051 0.000 1.039 3266 I CA -0.018 61.331 61.300 0.080 0.000 1.074 3266 I CB 1.324 39.403 38.000 0.132 0.000 1.228 3266 I HN 0.700 nan 8.210 nan 0.000 0.436 3267 S N 4.742 120.462 115.700 0.033 0.000 3.587 3267 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 3267 S C 1.070 175.681 174.600 0.019 0.000 1.119 3267 S CA 1.182 59.395 58.200 0.021 0.000 0.976 3267 S CB -1.612 61.599 63.200 0.018 0.000 0.922 3267 S HN 1.594 nan 8.310 nan 0.000 0.503 3268 G N 0.090 108.904 108.800 0.022 0.000 2.284 3268 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 3268 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 3268 G C -0.417 174.499 174.900 0.026 0.000 1.021 3268 G CA 0.123 45.235 45.100 0.020 0.000 0.619 3268 G HN 0.596 nan 8.290 nan 0.000 0.510 3269 D N 1.263 121.682 120.400 0.031 0.000 2.308 3269 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 3269 D C 0.303 176.636 176.300 0.054 0.000 1.127 3269 D CA 0.498 54.518 54.000 0.034 0.000 0.876 3269 D CB 1.614 42.429 40.800 0.025 0.000 1.176 3269 D HN 0.197 nan 8.370 nan 0.000 0.446 3270 S N 2.910 118.639 115.700 0.048 0.000 2.481 3270 S HA 0.400 4.869 4.470 -0.001 0.000 0.276 3270 S C -0.229 174.413 174.600 0.070 0.000 1.247 3270 S CA -0.401 57.839 58.200 0.067 0.000 1.053 3270 S CB 0.036 63.265 63.200 0.047 0.000 0.925 3270 S HN 0.314 nan 8.310 nan 0.000 0.491 3271 M N 4.474 124.144 119.600 0.117 0.000 2.619 3271 M HA 0.532 5.011 4.480 -0.001 0.000 0.297 3271 M C -1.070 175.304 176.300 0.124 0.000 1.229 3271 M CA -0.637 54.700 55.300 0.062 0.000 0.860 3271 M CB 2.153 34.737 32.600 -0.026 0.000 1.741 3271 M HN 0.438 nan 8.290 nan 0.000 0.462 3272 I N 1.687 122.269 120.570 0.021 0.000 2.339 3272 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 3272 I C -1.346 174.753 176.117 -0.030 0.000 0.994 3272 I CA -0.368 61.002 61.300 0.116 0.000 1.191 3272 I CB 0.931 39.033 38.000 0.169 0.000 1.343 3272 I HN 0.437 nan 8.210 nan 0.000 0.458 3273 F N 5.969 125.956 119.950 0.061 0.000 2.385 3273 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 3273 F C 0.093 175.926 175.800 0.056 0.000 1.122 3273 F CA -0.771 57.255 58.000 0.044 0.000 1.090 3273 F CB 1.363 40.379 39.000 0.027 0.000 1.150 3273 F HN 0.015 nan 8.300 nan 0.000 0.472 3274 V N 4.421 124.430 119.914 0.157 0.000 2.311 3274 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 3274 V C -0.300 175.851 176.094 0.094 0.000 1.022 3274 V CA -0.534 61.836 62.300 0.117 0.000 0.830 3274 V CB 0.569 32.426 31.823 0.057 0.000 1.012 3274 V HN 0.839 nan 8.190 nan 0.000 0.452 3275 E N 3.138 123.397 120.200 0.097 0.000 2.446 3275 E HA 0.622 4.971 4.350 -0.001 0.000 0.276 3275 E C -0.668 175.958 176.600 0.044 0.000 0.969 3275 E CA -0.877 55.566 56.400 0.072 0.000 0.800 3275 E CB 1.681 31.435 29.700 0.091 0.000 1.341 3275 E HN 0.220 nan 8.360 nan 0.000 0.460 3276 E N -1.204 119.010 120.200 0.023 0.000 3.181 3276 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 3276 E C -0.551 176.043 176.600 -0.009 0.000 0.936 3276 E CA 0.749 57.150 56.400 0.002 0.000 0.975 3276 E CB -2.398 27.305 29.700 0.006 0.000 1.496 3276 E HN 0.593 nan 8.360 nan 0.000 0.429 3277 C N 0.967 120.263 119.300 -0.005 0.000 2.689 3277 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 3277 C C 2.304 177.257 174.990 -0.061 0.000 1.293 3277 C CA -0.028 58.984 59.018 -0.011 0.000 2.136 3277 C CB 0.420 28.163 27.740 0.005 0.000 2.719 3277 C HN 0.355 nan 8.230 nan 0.000 0.644 3278 K N 0.414 120.770 120.400 -0.072 0.000 2.001 3278 K HA -0.132 4.187 4.320 -0.001 0.000 0.214 3278 K C 0.063 176.375 176.600 -0.481 0.000 1.050 3278 K CA 1.783 57.937 56.287 -0.221 0.000 0.934 3278 K CB -0.136 32.325 32.500 -0.065 0.000 0.718 3278 K HN 0.732 nan 8.250 nan 0.000 0.443 3279 H N -0.407 118.667 119.070 0.007 0.000 2.488 3279 H HA 0.201 4.757 4.556 -0.001 0.000 0.237 3279 H C -2.592 172.737 175.328 0.002 0.000 1.395 3279 H CA -1.751 54.300 56.048 0.005 0.000 1.491 3279 H CB 0.699 30.463 29.762 0.003 0.000 1.567 3279 H HN 0.120 nan 8.280 nan 0.000 0.508 3280 P HA 0.063 nan 4.420 nan 0.000 0.271 3280 P C 0.147 177.471 177.300 0.040 0.000 1.220 3280 P CA -0.519 62.603 63.100 0.037 0.000 0.768 3280 P CB 1.571 33.280 31.700 0.015 0.000 0.848 3281 K N 1.049 121.465 120.400 0.027 0.000 2.399 3281 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 3281 K C 0.373 176.975 176.600 0.004 0.000 1.023 3281 K CA -0.291 56.007 56.287 0.019 0.000 1.127 3281 K CB 0.493 33.002 32.500 0.015 0.000 0.856 3281 K HN 0.543 nan 8.250 nan 0.000 0.514 3282 A N 0.515 123.334 122.820 -0.002 0.000 2.486 3282 A HA 0.662 4.982 4.320 -0.001 0.000 0.300 3282 A C -0.598 176.981 177.584 -0.010 0.000 1.048 3282 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 3282 A CB 1.475 20.458 19.000 -0.027 0.000 1.278 3282 A HN -0.040 nan 8.150 nan 0.000 0.405 3283 V N -1.087 118.821 119.914 -0.010 0.000 3.074 3283 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 3283 V C -0.434 175.651 176.094 -0.014 0.000 1.117 3283 V CA -0.578 61.719 62.300 -0.006 0.000 1.014 3283 V CB 1.714 33.539 31.823 0.003 0.000 1.057 3283 V HN 0.853 nan 8.190 nan 0.000 0.438 3284 T N 4.101 118.649 114.554 -0.010 0.000 2.841 3284 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 3284 T C -0.516 174.182 174.700 -0.003 0.000 0.991 3284 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 3284 T CB 1.347 70.186 68.868 -0.049 0.000 0.962 3284 T HN 0.957 nan 8.240 nan 0.000 0.438 3285 M N 4.893 124.489 119.600 -0.006 0.000 2.063 3285 M HA 0.477 4.956 4.480 -0.001 0.000 0.348 3285 M C -1.154 175.148 176.300 0.003 0.000 1.180 3285 M CA -0.708 54.594 55.300 0.004 0.000 1.059 3285 M CB 0.273 32.875 32.600 0.002 0.000 1.544 3285 M HN 0.532 nan 8.290 nan 0.000 0.447 3286 L N 7.304 128.539 121.223 0.019 0.000 2.259 3286 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 3286 L C -1.041 175.843 176.870 0.025 0.000 1.051 3286 L CA -0.411 54.444 54.840 0.025 0.000 0.824 3286 L CB 0.443 42.540 42.059 0.064 0.000 1.206 3286 L HN 0.754 nan 8.230 nan 0.000 0.429 3287 I N 5.533 126.112 120.570 0.014 0.000 2.325 3287 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 3287 I C 0.227 176.352 176.117 0.014 0.000 1.019 3287 I CA -0.304 61.004 61.300 0.013 0.000 1.302 3287 I CB 0.860 38.865 38.000 0.007 0.000 1.401 3287 I HN 0.578 nan 8.210 nan 0.000 0.485 3288 R N 4.031 124.541 120.500 0.016 0.000 2.828 3288 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 3288 R C -0.239 176.068 176.300 0.012 0.000 1.022 3288 R CA -0.975 55.134 56.100 0.016 0.000 1.021 3288 R CB 2.155 32.467 30.300 0.020 0.000 1.163 3288 R HN 0.831 nan 8.270 nan 0.000 0.494 3289 G N -0.905 107.901 108.800 0.010 0.000 2.340 3289 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 3289 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 3289 G C -0.090 174.814 174.900 0.007 0.000 1.498 3289 G CA -0.479 44.627 45.100 0.010 0.000 0.847 3289 G HN 0.413 nan 8.290 nan 0.000 0.594 3290 T N -0.668 113.892 114.554 0.010 0.000 2.995 3290 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 3290 T C 0.783 175.487 174.700 0.006 0.000 1.091 3290 T CA 2.171 64.276 62.100 0.009 0.000 1.128 3290 T CB -0.219 68.657 68.868 0.013 0.000 0.891 3290 T HN 0.701 nan 8.240 nan 0.000 0.492 3291 T N 1.028 115.586 114.554 0.006 0.000 2.956 3291 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 3291 T C 0.275 174.959 174.700 -0.026 0.000 1.151 3291 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 3291 T CB 2.165 71.050 68.868 0.029 0.000 1.140 3291 T HN -0.109 nan 8.240 nan 0.000 0.473 3292 E N 1.012 121.156 120.200 -0.093 0.000 2.070 3292 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 3292 E C 1.667 178.193 176.600 -0.125 0.000 1.004 3292 E CA 1.671 57.980 56.400 -0.150 0.000 0.805 3292 E CB -0.070 29.470 29.700 -0.266 0.000 0.744 3292 E HN 0.560 nan 8.360 nan 0.000 0.451 3293 H N -0.238 118.835 119.070 0.005 0.000 2.491 3293 H HA -0.010 4.546 4.556 -0.001 0.000 0.290 3293 H C 2.265 177.596 175.328 0.005 0.000 1.050 3293 H CA 0.615 56.665 56.048 0.004 0.000 1.309 3293 H CB -0.041 29.724 29.762 0.004 0.000 1.392 3293 H HN -0.009 nan 8.280 nan 0.000 0.554 3294 V N 1.896 121.875 119.914 0.109 0.000 2.323 3294 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 3294 V C 2.582 178.702 176.094 0.044 0.000 1.041 3294 V CA 1.605 63.944 62.300 0.065 0.000 1.025 3294 V CB -0.456 31.395 31.823 0.046 0.000 0.656 3294 V HN 0.413 nan 8.190 nan 0.000 0.451 3295 I N -1.904 118.683 120.570 0.028 0.000 3.111 3295 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 3295 I C 2.061 178.189 176.117 0.019 0.000 1.268 3295 I CA 1.216 62.527 61.300 0.017 0.000 1.467 3295 I CB -0.557 37.446 38.000 0.004 0.000 1.087 3295 I HN 0.280 nan 8.210 nan 0.000 0.467 3296 E N 1.533 121.752 120.200 0.032 0.000 2.106 3296 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 3296 E C 1.960 178.583 176.600 0.039 0.000 0.984 3296 E CA 1.115 57.540 56.400 0.042 0.000 0.806 3296 E CB 0.040 29.790 29.700 0.082 0.000 0.750 3296 E HN 0.538 nan 8.360 nan 0.000 0.458 3297 E N 0.330 120.556 120.200 0.043 0.000 2.107 3297 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 3297 E C 2.317 178.931 176.600 0.025 0.000 0.982 3297 E CA 0.553 56.972 56.400 0.032 0.000 0.809 3297 E CB -0.043 29.677 29.700 0.034 0.000 0.756 3297 E HN 0.126 nan 8.360 nan 0.000 0.459 3298 V N 1.843 121.771 119.914 0.024 0.000 2.358 3298 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 3298 V C 2.499 178.602 176.094 0.014 0.000 1.047 3298 V CA 1.726 64.036 62.300 0.018 0.000 1.035 3298 V CB -0.886 30.947 31.823 0.017 0.000 0.658 3298 V HN 0.223 nan 8.190 nan 0.000 0.452 3299 A N 0.440 123.268 122.820 0.013 0.000 1.892 3299 A HA -0.307 4.013 4.320 -0.001 0.000 0.218 3299 A C 2.318 179.907 177.584 0.009 0.000 1.188 3299 A CA 2.480 54.522 52.037 0.009 0.000 0.631 3299 A CB -0.550 18.454 19.000 0.007 0.000 0.822 3299 A HN 0.467 nan 8.150 nan 0.000 0.447 3300 R N -0.069 120.438 120.500 0.012 0.000 2.092 3300 R HA 0.069 4.408 4.340 -0.001 0.000 0.231 3300 R C 2.161 178.467 176.300 0.011 0.000 1.119 3300 R CA 1.760 57.866 56.100 0.011 0.000 0.970 3300 R CB -0.882 29.425 30.300 0.012 0.000 0.864 3300 R HN 0.390 nan 8.270 nan 0.000 0.440 3301 A N 0.141 122.969 122.820 0.013 0.000 1.908 3301 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 3301 A C 2.160 179.751 177.584 0.012 0.000 1.181 3301 A CA 1.970 54.015 52.037 0.014 0.000 0.627 3301 A CB -0.850 18.160 19.000 0.017 0.000 0.818 3301 A HN 0.314 nan 8.150 nan 0.000 0.445 3302 V N -2.282 117.638 119.914 0.010 0.000 2.951 3302 V HA -0.045 4.074 4.120 -0.001 0.000 0.255 3302 V C 1.775 177.873 176.094 0.006 0.000 1.088 3302 V CA 2.138 64.442 62.300 0.008 0.000 1.109 3302 V CB -0.664 31.163 31.823 0.007 0.000 0.724 3302 V HN 0.452 nan 8.190 nan 0.000 0.471 3303 D N 1.155 121.558 120.400 0.005 0.000 2.178 3303 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 3303 D C 1.683 177.985 176.300 0.004 0.000 0.980 3303 D CA 1.776 55.778 54.000 0.004 0.000 0.842 3303 D CB -0.043 40.759 40.800 0.003 0.000 0.948 3303 D HN 0.514 nan 8.370 nan 0.000 0.472 3304 D N -0.512 119.891 120.400 0.006 0.000 2.149 3304 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 3304 D C 2.042 178.346 176.300 0.007 0.000 0.967 3304 D CA 1.252 55.256 54.000 0.007 0.000 0.848 3304 D CB -0.611 40.194 40.800 0.009 0.000 0.998 3304 D HN 0.253 nan 8.370 nan 0.000 0.474 3305 A N 0.849 123.674 122.820 0.008 0.000 1.908 3305 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 3305 A C 2.368 179.955 177.584 0.006 0.000 1.181 3305 A CA 1.423 53.464 52.037 0.008 0.000 0.627 3305 A CB -0.923 18.082 19.000 0.008 0.000 0.818 3305 A HN 0.188 nan 8.150 nan 0.000 0.445 3306 V N -0.154 119.763 119.914 0.005 0.000 2.759 3306 V HA -0.073 4.047 4.120 -0.001 0.000 0.256 3306 V C 2.258 178.354 176.094 0.004 0.000 1.080 3306 V CA 2.112 64.414 62.300 0.004 0.000 1.101 3306 V CB -0.615 31.210 31.823 0.003 0.000 0.698 3306 V HN 0.570 nan 8.190 nan 0.000 0.477 3307 G N -0.241 108.562 108.800 0.004 0.000 2.395 3307 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 3307 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 3307 G C 1.615 176.519 174.900 0.005 0.000 1.177 3307 G CA 1.218 46.321 45.100 0.004 0.000 0.794 3307 G HN 0.660 nan 8.290 nan 0.000 0.532 3308 V N -1.076 118.842 119.914 0.006 0.000 2.871 3308 V HA 0.002 4.122 4.120 -0.001 0.000 0.256 3308 V C 2.574 178.671 176.094 0.006 0.000 1.082 3308 V CA 1.196 63.500 62.300 0.007 0.000 1.105 3308 V CB -0.361 31.467 31.823 0.008 0.000 0.713 3308 V HN 0.114 nan 8.190 nan 0.000 0.473 3309 V N 2.013 121.930 119.914 0.006 0.000 2.379 3309 V HA -0.005 4.114 4.120 -0.001 0.000 0.245 3309 V C 2.919 179.016 176.094 0.005 0.000 1.044 3309 V CA 2.125 64.428 62.300 0.005 0.000 1.036 3309 V CB -1.317 30.509 31.823 0.004 0.000 0.664 3309 V HN 0.605 nan 8.190 nan 0.000 0.453 3310 G N -1.367 107.436 108.800 0.005 0.000 2.418 3310 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.217 3310 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.217 3310 G C 1.887 176.790 174.900 0.005 0.000 1.158 3310 G CA 1.199 46.302 45.100 0.004 0.000 0.771 3310 G HN 0.529 nan 8.290 nan 0.000 0.545 3311 C N 0.535 119.839 119.300 0.005 0.000 2.429 3311 C HA -0.022 4.438 4.460 -0.001 0.000 0.277 3311 C C 3.150 178.144 174.990 0.007 0.000 1.262 3311 C CA 2.002 61.023 59.018 0.006 0.000 1.733 3311 C CB -1.052 26.692 27.740 0.007 0.000 2.010 3311 C HN 0.400 nan 8.230 nan 0.000 0.483 3312 T N 1.015 115.573 114.554 0.007 0.000 2.833 3312 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 3312 T C 1.570 176.274 174.700 0.006 0.000 1.054 3312 T CA 1.811 63.915 62.100 0.007 0.000 1.135 3312 T CB -0.247 68.625 68.868 0.006 0.000 0.869 3312 T HN 0.590 nan 8.240 nan 0.000 0.466 3313 I N 0.633 121.206 120.570 0.005 0.000 2.286 3313 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 3313 I C 2.538 178.658 176.117 0.005 0.000 1.104 3313 I CA 1.204 62.507 61.300 0.005 0.000 1.397 3313 I CB -0.254 37.749 38.000 0.005 0.000 1.072 3313 I HN 0.261 nan 8.210 nan 0.000 0.417 3314 E N 0.162 120.365 120.200 0.005 0.000 2.152 3314 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 3314 E C -0.114 176.490 176.600 0.006 0.000 0.983 3314 E CA 0.699 57.102 56.400 0.005 0.000 0.818 3314 E CB 0.221 29.924 29.700 0.005 0.000 0.758 3314 E HN 0.375 nan 8.360 nan 0.000 0.467 3315 D N -0.531 119.873 120.400 0.007 0.000 2.505 3315 D HA 0.139 4.779 4.640 -0.001 0.000 0.250 3315 D C -0.059 176.246 176.300 0.008 0.000 1.164 3315 D CA -0.165 53.840 54.000 0.008 0.000 0.870 3315 D CB 1.719 42.525 40.800 0.009 0.000 1.160 3315 D HN 0.084 nan 8.370 nan 0.000 0.549 3316 G N 2.061 110.866 108.800 0.008 0.000 3.279 3316 G HA2 0.004 3.964 3.960 -0.001 0.000 0.230 3316 G HA3 0.004 3.964 3.960 -0.001 0.000 0.230 3316 G C 0.616 175.522 174.900 0.009 0.000 1.230 3316 G CA -0.095 45.010 45.100 0.007 0.000 0.891 3316 G HN 0.096 nan 8.290 nan 0.000 0.518 3317 R N -0.069 120.437 120.500 0.010 0.000 2.437 3317 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 3317 R C -0.476 175.831 176.300 0.012 0.000 0.955 3317 R CA -0.574 55.533 56.100 0.012 0.000 0.851 3317 R CB 1.518 31.827 30.300 0.013 0.000 1.161 3317 R HN 0.304 nan 8.270 nan 0.000 0.446 3318 I N -0.197 120.381 120.570 0.013 0.000 3.042 3318 I HA 0.843 5.013 4.170 -0.001 0.000 0.310 3318 I C -0.547 175.580 176.117 0.016 0.000 1.117 3318 I CA -1.246 60.062 61.300 0.013 0.000 1.003 3318 I CB 2.161 40.168 38.000 0.011 0.000 1.228 3318 I HN 0.315 nan 8.210 nan 0.000 0.443 3319 V N 0.140 120.065 119.914 0.018 0.000 3.130 3319 V HA 0.840 4.959 4.120 -0.001 0.000 0.310 3319 V C 0.071 176.179 176.094 0.023 0.000 1.158 3319 V CA -0.404 61.908 62.300 0.022 0.000 1.029 3319 V CB 1.162 32.999 31.823 0.024 0.000 1.057 3319 V HN 1.156 nan 8.190 nan 0.000 0.436 3320 S N 1.520 117.236 115.700 0.028 0.000 2.576 3320 S HA 0.701 5.170 4.470 -0.001 0.000 0.276 3320 S C 0.488 175.106 174.600 0.031 0.000 1.339 3320 S CA 0.153 58.372 58.200 0.030 0.000 1.039 3320 S CB 0.899 64.121 63.200 0.037 0.000 0.902 3320 S HN 1.803 nan 8.310 nan 0.000 0.516 3321 G N 0.070 108.889 108.800 0.031 0.000 2.641 3321 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 3321 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 3321 G C 0.893 175.812 174.900 0.031 0.000 1.402 3321 G CA -0.564 44.554 45.100 0.029 0.000 1.046 3321 G HN 2.025 nan 8.290 nan 0.000 0.565 3322 G N -2.226 106.592 108.800 0.029 0.000 2.155 3322 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 3322 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 3322 G C 1.459 176.361 174.900 0.003 0.000 0.983 3322 G CA 1.158 46.273 45.100 0.025 0.000 0.676 3322 G HN 2.515 nan 8.290 nan 0.000 0.528 3323 G N -1.294 107.501 108.800 -0.009 0.000 2.157 3323 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 3323 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 3323 G C 1.418 176.288 174.900 -0.049 0.000 0.979 3323 G CA 1.654 46.733 45.100 -0.036 0.000 0.650 3323 G HN 1.938 nan 8.290 nan 0.000 0.529 3324 S N 0.057 115.753 115.700 -0.007 0.000 2.368 3324 S HA -0.163 4.307 4.470 -0.001 0.000 0.225 3324 S C 2.800 177.390 174.600 -0.015 0.000 1.030 3324 S CA 2.803 61.018 58.200 0.026 0.000 0.999 3324 S CB -0.529 62.739 63.200 0.112 0.000 0.844 3324 S HN 1.410 nan 8.310 nan 0.000 0.459 3325 T N -0.394 114.161 114.554 0.001 0.000 2.701 3325 T HA -0.047 4.303 4.350 -0.001 0.000 0.263 3325 T C 1.565 176.230 174.700 -0.058 0.000 1.040 3325 T CA 1.542 63.642 62.100 -0.001 0.000 1.147 3325 T CB -0.874 67.998 68.868 0.008 0.000 0.865 3325 T HN 0.405 nan 8.240 nan 0.000 0.426 3326 E N 1.052 121.206 120.200 -0.076 0.000 2.130 3326 E HA -0.076 4.273 4.350 -0.001 0.000 0.196 3326 E C 2.289 178.798 176.600 -0.153 0.000 0.998 3326 E CA 1.077 57.414 56.400 -0.105 0.000 0.806 3326 E CB -0.766 28.873 29.700 -0.101 0.000 0.738 3326 E HN 0.434 nan 8.360 nan 0.000 0.459 3327 V N 0.437 120.213 119.914 -0.230 0.000 2.323 3327 V HA -0.221 3.898 4.120 -0.001 0.000 0.244 3327 V C 2.286 178.140 176.094 -0.399 0.000 1.041 3327 V CA 1.842 63.926 62.300 -0.360 0.000 1.025 3327 V CB -0.436 31.054 31.823 -0.555 0.000 0.656 3327 V HN 0.212 nan 8.190 nan 0.000 0.451 3328 E N 0.619 120.578 120.200 -0.402 0.000 2.097 3328 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 3328 E C 2.033 178.599 176.600 -0.057 0.000 1.000 3328 E CA 1.715 58.081 56.400 -0.056 0.000 0.804 3328 E CB -0.399 29.383 29.700 0.135 0.000 0.740 3328 E HN 0.557 nan 8.360 nan 0.000 0.454 3329 L N -0.149 121.031 121.223 -0.072 0.000 2.056 3329 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 3329 L C 2.542 179.364 176.870 -0.080 0.000 1.078 3329 L CA 1.270 56.077 54.840 -0.056 0.000 0.749 3329 L CB -0.391 41.652 42.059 -0.027 0.000 0.901 3329 L HN 0.110 nan 8.230 nan 0.000 0.433 3330 S N -0.562 115.079 115.700 -0.099 0.000 2.382 3330 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 3330 S C 2.015 176.560 174.600 -0.091 0.000 1.027 3330 S CA 1.224 59.370 58.200 -0.091 0.000 0.991 3330 S CB -0.110 63.028 63.200 -0.104 0.000 0.823 3330 S HN 0.270 nan 8.310 nan 0.000 0.469 3331 M N 1.382 120.924 119.600 -0.097 0.000 2.064 3331 M HA -0.049 4.431 4.480 -0.001 0.000 0.260 3331 M C 2.042 178.258 176.300 -0.140 0.000 1.073 3331 M CA 1.607 56.861 55.300 -0.077 0.000 1.124 3331 M CB -1.105 31.484 32.600 -0.018 0.000 1.326 3331 M HN 0.224 nan 8.290 nan 0.000 0.410 3332 K N 0.253 120.523 120.400 -0.216 0.000 2.103 3332 K HA 0.001 4.321 4.320 -0.001 0.000 0.204 3332 K C 2.060 178.148 176.600 -0.854 0.000 1.052 3332 K CA 0.874 56.869 56.287 -0.486 0.000 0.945 3332 K CB -0.179 32.048 32.500 -0.455 0.000 0.722 3332 K HN 0.261 nan 8.250 nan 0.000 0.443 3333 L N 0.534 121.464 121.223 -0.488 0.000 2.201 3333 L HA -0.117 4.222 4.340 -0.001 0.000 0.212 3333 L C 2.340 179.153 176.870 -0.095 0.000 1.105 3333 L CA 0.963 55.645 54.840 -0.262 0.000 0.775 3333 L CB -0.275 41.778 42.059 -0.009 0.000 0.913 3333 L HN 0.129 nan 8.230 nan 0.000 0.440 3334 R N 0.043 120.485 120.500 -0.098 0.000 2.115 3334 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 3334 R C 2.082 178.379 176.300 -0.005 0.000 1.111 3334 R CA 1.223 57.306 56.100 -0.027 0.000 0.976 3334 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 3334 R HN 0.463 nan 8.270 nan 0.000 0.445 3335 E N -0.522 119.647 120.200 -0.051 0.000 2.107 3335 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 3335 E C 1.576 178.297 176.600 0.202 0.000 0.982 3335 E CA 0.809 57.236 56.400 0.044 0.000 0.809 3335 E CB 0.014 29.728 29.700 0.023 0.000 0.756 3335 E HN 0.320 nan 8.360 nan 0.000 0.459 3336 Y N 0.656 120.971 120.300 0.026 0.000 2.224 3336 Y HA -0.088 4.462 4.550 -0.001 0.000 0.289 3336 Y C 2.400 178.311 175.900 0.019 0.000 1.146 3336 Y CA 0.587 58.700 58.100 0.020 0.000 1.182 3336 Y CB -1.159 37.313 38.460 0.020 0.000 0.983 3336 Y HN 0.033 nan 8.280 nan 0.000 0.524 3337 A N 0.269 123.201 122.820 0.186 0.000 1.940 3337 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 3337 A C 2.175 179.810 177.584 0.085 0.000 1.176 3337 A CA 1.676 53.781 52.037 0.114 0.000 0.631 3337 A CB -0.395 18.660 19.000 0.092 0.000 0.814 3337 A HN 0.319 nan 8.150 nan 0.000 0.446 3338 E N -0.548 119.703 120.200 0.084 0.000 2.106 3338 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 3338 E C 2.147 178.781 176.600 0.055 0.000 0.984 3338 E CA 1.139 57.577 56.400 0.062 0.000 0.806 3338 E CB -0.611 29.124 29.700 0.058 0.000 0.750 3338 E HN 0.595 nan 8.360 nan 0.000 0.458 3339 G N 0.918 109.759 108.800 0.069 0.000 2.430 3339 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 3339 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 3339 G C 1.742 176.658 174.900 0.027 0.000 1.146 3339 G CA 0.162 45.287 45.100 0.043 0.000 0.793 3339 G HN 0.142 nan 8.290 nan 0.000 0.537 3340 I N -0.105 120.487 120.570 0.037 0.000 2.163 3340 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 3340 I C 1.762 177.891 176.117 0.019 0.000 1.081 3340 I CA 0.830 62.144 61.300 0.023 0.000 1.353 3340 I CB -0.305 37.715 38.000 0.034 0.000 1.054 3340 I HN 0.308 nan 8.210 nan 0.000 0.407 3341 S N -1.135 114.582 115.700 0.028 0.000 3.513 3341 S HA -0.119 4.351 4.470 -0.001 0.000 0.636 3341 S C 0.449 175.059 174.600 0.017 0.000 2.452 3341 S CA 0.757 58.970 58.200 0.022 0.000 2.644 3341 S CB -1.419 61.791 63.200 0.016 0.000 0.331 3341 S HN 1.458 nan 8.310 nan 0.000 1.787 3342 G N 0.664 109.472 108.800 0.013 0.000 2.601 3342 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 3342 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 3342 G C 0.329 175.236 174.900 0.011 0.000 1.289 3342 G CA 0.967 46.072 45.100 0.008 0.000 0.920 3342 G HN 1.091 nan 8.290 nan 0.000 0.571 3343 R N 0.214 120.718 120.500 0.007 0.000 2.115 3343 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 3343 R C 2.534 178.841 176.300 0.011 0.000 1.100 3343 R CA 1.372 57.478 56.100 0.010 0.000 0.980 3343 R CB -0.235 30.070 30.300 0.007 0.000 0.875 3343 R HN 0.716 nan 8.270 nan 0.000 0.445 3344 E N 0.951 121.155 120.200 0.007 0.000 2.171 3344 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 3344 E C 2.059 178.677 176.600 0.030 0.000 0.997 3344 E CA 1.075 57.480 56.400 0.008 0.000 0.810 3344 E CB 0.100 29.801 29.700 0.001 0.000 0.738 3344 E HN 0.205 nan 8.360 nan 0.000 0.467 3345 Q N 0.597 120.418 119.800 0.035 0.000 2.226 3345 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 3345 Q C 2.145 178.183 176.000 0.063 0.000 0.975 3345 Q CA 0.927 56.760 55.803 0.051 0.000 0.866 3345 Q CB -0.068 28.695 28.738 0.043 0.000 0.915 3345 Q HN 0.431 nan 8.270 nan 0.000 0.440 3346 L N 0.050 121.305 121.223 0.053 0.000 2.027 3346 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 3346 L C 2.607 179.535 176.870 0.096 0.000 1.074 3346 L CA 1.267 56.143 54.840 0.060 0.000 0.745 3346 L CB -0.657 41.425 42.059 0.039 0.000 0.898 3346 L HN 0.167 nan 8.230 nan 0.000 0.433 3347 A N -0.551 122.325 122.820 0.092 0.000 1.929 3347 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 3347 A C 2.312 180.098 177.584 0.336 0.000 1.176 3347 A CA 1.281 53.418 52.037 0.166 0.000 0.628 3347 A CB -0.680 18.303 19.000 -0.029 0.000 0.816 3347 A HN 0.178 nan 8.150 nan 0.000 0.444 3348 V N 0.138 120.178 119.914 0.209 0.000 2.343 3348 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 3348 V C 2.673 178.897 176.094 0.217 0.000 1.051 3348 V CA 2.329 64.749 62.300 0.200 0.000 1.036 3348 V CB -0.789 31.101 31.823 0.112 0.000 0.654 3348 V HN 0.623 nan 8.190 nan 0.000 0.451 3349 R N 1.127 121.723 120.500 0.160 0.000 2.081 3349 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 3349 R C 2.158 178.532 176.300 0.124 0.000 1.131 3349 R CA 1.921 58.092 56.100 0.118 0.000 0.960 3349 R CB -0.991 29.358 30.300 0.081 0.000 0.856 3349 R HN 0.431 nan 8.270 nan 0.000 0.436 3350 A N -0.454 122.466 122.820 0.165 0.000 1.933 3350 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 3350 A C 2.157 179.807 177.584 0.111 0.000 1.175 3350 A CA 1.331 53.459 52.037 0.151 0.000 0.628 3350 A CB -0.840 18.291 19.000 0.218 0.000 0.814 3350 A HN 0.486 nan 8.150 nan 0.000 0.444 3351 F N 0.984 120.944 119.950 0.018 0.000 2.075 3351 F HA -0.103 4.423 4.527 -0.001 0.000 0.297 3351 F C 2.536 178.258 175.800 -0.130 0.000 1.113 3351 F CA 1.516 59.400 58.000 -0.195 0.000 1.218 3351 F CB -0.398 38.517 39.000 -0.142 0.000 0.984 3351 F HN 0.245 nan 8.300 nan 0.000 0.472 3352 A N -0.171 122.721 122.820 0.120 0.000 1.902 3352 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 3352 A C 1.889 179.420 177.584 -0.089 0.000 1.181 3352 A CA 1.965 54.011 52.037 0.014 0.000 0.623 3352 A CB -0.977 18.064 19.000 0.069 0.000 0.818 3352 A HN 0.457 nan 8.150 nan 0.000 0.443 3353 D N 0.019 120.384 120.400 -0.058 0.000 2.219 3353 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 3353 D C 2.116 178.348 176.300 -0.113 0.000 0.970 3353 D CA 1.190 55.149 54.000 -0.067 0.000 0.851 3353 D CB -0.349 40.434 40.800 -0.027 0.000 0.943 3353 D HN 0.426 nan 8.370 nan 0.000 0.488 3354 A N 0.621 123.338 122.820 -0.172 0.000 2.024 3354 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 3354 A C 2.244 179.696 177.584 -0.220 0.000 1.164 3354 A CA 0.766 52.674 52.037 -0.215 0.000 0.643 3354 A CB -0.715 18.086 19.000 -0.333 0.000 0.806 3354 A HN 0.245 nan 8.150 nan 0.000 0.451 3355 L N -0.358 120.719 121.223 -0.243 0.000 2.265 3355 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 3355 L C 2.015 178.800 176.870 -0.142 0.000 1.117 3355 L CA 0.773 55.492 54.840 -0.202 0.000 0.782 3355 L CB -0.453 41.489 42.059 -0.195 0.000 0.914 3355 L HN 0.326 nan 8.230 nan 0.000 0.441 3356 E N -0.323 119.804 120.200 -0.123 0.000 2.409 3356 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 3356 E C 2.181 178.730 176.600 -0.084 0.000 1.024 3356 E CA 0.606 56.949 56.400 -0.095 0.000 0.861 3356 E CB -0.191 29.461 29.700 -0.080 0.000 0.788 3356 E HN 0.306 nan 8.360 nan 0.000 0.521 3357 V N 0.864 120.723 119.914 -0.092 0.000 2.759 3357 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 3357 V C 1.780 177.830 176.094 -0.073 0.000 1.080 3357 V CA 0.910 63.163 62.300 -0.079 0.000 1.101 3357 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 3357 V HN 0.127 nan 8.190 nan 0.000 0.477 3358 I N 0.491 121.013 120.570 -0.080 0.000 2.296 3358 I HA 0.018 4.188 4.170 -0.001 0.000 0.242 3358 I C 0.129 176.208 176.117 -0.063 0.000 1.087 3358 I CA 1.181 62.439 61.300 -0.071 0.000 1.393 3358 I CB -2.734 35.221 38.000 -0.074 0.000 1.093 3358 I HN 0.307 nan 8.210 nan 0.000 0.421 3359 P HA -0.162 nan 4.420 nan 0.000 0.216 3359 P C 1.826 179.094 177.300 -0.053 0.000 1.150 3359 P CA 1.426 64.491 63.100 -0.058 0.000 0.843 3359 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 3360 R N -0.627 119.840 120.500 -0.055 0.000 2.052 3360 R HA -0.013 4.327 4.340 -0.001 0.000 0.226 3360 R C 1.931 178.202 176.300 -0.048 0.000 1.145 3360 R CA 1.993 58.064 56.100 -0.049 0.000 0.952 3360 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 3360 R HN 0.057 nan 8.270 nan 0.000 0.431 3361 T N 2.607 117.131 114.554 -0.051 0.000 2.833 3361 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 3361 T C 1.723 176.391 174.700 -0.054 0.000 1.054 3361 T CA 1.135 63.205 62.100 -0.050 0.000 1.135 3361 T CB -0.218 68.619 68.868 -0.051 0.000 0.869 3361 T HN 0.113 nan 8.240 nan 0.000 0.466 3362 L N 1.610 122.798 121.223 -0.057 0.000 1.994 3362 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 3362 L C 2.618 179.447 176.870 -0.068 0.000 1.071 3362 L CA 2.046 56.847 54.840 -0.065 0.000 0.745 3362 L CB -1.064 40.958 42.059 -0.061 0.000 0.892 3362 L HN 0.206 nan 8.230 nan 0.000 0.431 3363 A N -1.178 121.608 122.820 -0.057 0.000 2.019 3363 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 3363 A C 2.210 179.764 177.584 -0.050 0.000 1.164 3363 A CA 1.649 53.655 52.037 -0.053 0.000 0.644 3363 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 3363 A HN 0.574 nan 8.150 nan 0.000 0.449 3364 E N 0.580 120.752 120.200 -0.048 0.000 2.072 3364 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 3364 E C 1.705 178.276 176.600 -0.047 0.000 0.985 3364 E CA 1.447 57.821 56.400 -0.043 0.000 0.801 3364 E CB -0.162 29.513 29.700 -0.041 0.000 0.750 3364 E HN 0.548 nan 8.360 nan 0.000 0.452 3365 N N -0.054 118.613 118.700 -0.055 0.000 2.309 3365 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 3365 N C 1.271 176.738 175.510 -0.071 0.000 1.018 3365 N CA 1.139 54.153 53.050 -0.061 0.000 0.876 3365 N CB -0.250 38.197 38.487 -0.067 0.000 0.972 3365 N HN 0.246 nan 8.380 nan 0.000 0.434 3366 A N -0.077 122.695 122.820 -0.079 0.000 2.119 3366 A HA 0.315 4.635 4.320 -0.001 0.000 0.216 3366 A C 1.481 179.030 177.584 -0.060 0.000 1.152 3366 A CA 1.031 53.017 52.037 -0.086 0.000 0.708 3366 A CB -0.395 18.548 19.000 -0.096 0.000 0.805 3366 A HN 0.308 nan 8.150 nan 0.000 0.460 3367 G N -1.275 107.497 108.800 -0.048 0.000 2.149 3367 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 3367 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 3367 G C -0.032 174.850 174.900 -0.030 0.000 1.018 3367 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 3367 G HN 0.442 nan 8.290 nan 0.000 0.508 3368 L N -0.212 120.991 121.223 -0.033 0.000 2.387 3368 L HA 0.503 4.843 4.340 -0.001 0.000 0.266 3368 L C 0.540 177.395 176.870 -0.024 0.000 1.059 3368 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 3368 L CB 0.780 42.822 42.059 -0.029 0.000 1.223 3368 L HN 0.100 nan 8.230 nan 0.000 0.456 3369 D N 0.801 121.190 120.400 -0.019 0.000 2.363 3369 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 3369 D C 0.748 177.035 176.300 -0.021 0.000 1.258 3369 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 3369 D CB 1.742 42.534 40.800 -0.014 0.000 1.107 3369 D HN 0.629 nan 8.370 nan 0.000 0.495 3370 A N 5.317 128.123 122.820 -0.023 0.000 1.940 3370 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 3370 A C 2.071 179.640 177.584 -0.024 0.000 1.176 3370 A CA 0.945 52.966 52.037 -0.026 0.000 0.631 3370 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 3370 A HN 0.698 nan 8.150 nan 0.000 0.446 3371 I N -0.710 119.848 120.570 -0.020 0.000 2.296 3371 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 3371 I C 2.437 178.544 176.117 -0.015 0.000 1.087 3371 I CA 1.583 62.873 61.300 -0.018 0.000 1.393 3371 I CB -1.525 36.466 38.000 -0.015 0.000 1.093 3371 I HN 0.562 nan 8.210 nan 0.000 0.421 3372 E N 1.257 121.449 120.200 -0.013 0.000 2.077 3372 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 3372 E C 2.326 178.921 176.600 -0.010 0.000 0.989 3372 E CA 1.163 57.558 56.400 -0.010 0.000 0.800 3372 E CB 0.177 29.872 29.700 -0.008 0.000 0.746 3372 E HN 0.209 nan 8.360 nan 0.000 0.452 3373 I N 0.875 121.437 120.570 -0.013 0.000 2.127 3373 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 3373 I C 2.416 178.525 176.117 -0.014 0.000 1.075 3373 I CA 1.014 62.306 61.300 -0.013 0.000 1.334 3373 I CB -0.984 37.005 38.000 -0.019 0.000 1.040 3373 I HN 0.275 nan 8.210 nan 0.000 0.405 3374 L N 0.010 121.221 121.223 -0.020 0.000 2.131 3374 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 3374 L C 2.541 179.400 176.870 -0.019 0.000 1.092 3374 L CA 1.254 56.079 54.840 -0.025 0.000 0.759 3374 L CB -0.953 41.087 42.059 -0.031 0.000 0.903 3374 L HN 0.004 nan 8.230 nan 0.000 0.435 3375 V N -1.157 118.749 119.914 -0.013 0.000 2.323 3375 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 3375 V C 2.487 178.581 176.094 0.001 0.000 1.041 3375 V CA 1.375 63.671 62.300 -0.006 0.000 1.025 3375 V CB -0.391 31.428 31.823 -0.005 0.000 0.656 3375 V HN 0.300 nan 8.190 nan 0.000 0.451 3376 K N -0.183 120.217 120.400 0.001 0.000 2.155 3376 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 3376 K C 1.865 178.474 176.600 0.015 0.000 1.052 3376 K CA 0.853 57.144 56.287 0.007 0.000 0.948 3376 K CB -0.439 32.064 32.500 0.005 0.000 0.728 3376 K HN 0.313 nan 8.250 nan 0.000 0.448 3377 V N 0.508 120.430 119.914 0.013 0.000 2.346 3377 V HA -0.157 3.963 4.120 -0.001 0.000 0.244 3377 V C 2.065 178.185 176.094 0.043 0.000 1.037 3377 V CA 1.531 63.845 62.300 0.023 0.000 1.029 3377 V CB -0.296 31.528 31.823 0.002 0.000 0.663 3377 V HN 0.224 nan 8.190 nan 0.000 0.454 3378 R N 0.152 120.663 120.500 0.017 0.000 2.115 3378 R HA -0.055 4.284 4.340 -0.001 0.000 0.230 3378 R C 2.390 178.727 176.300 0.061 0.000 1.111 3378 R CA 1.324 57.439 56.100 0.024 0.000 0.976 3378 R CB -0.491 29.801 30.300 -0.012 0.000 0.870 3378 R HN 0.534 nan 8.270 nan 0.000 0.445 3379 A N 1.272 124.116 122.820 0.039 0.000 1.873 3379 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 3379 A C 2.364 179.972 177.584 0.040 0.000 1.186 3379 A CA 1.550 53.607 52.037 0.034 0.000 0.616 3379 A CB -0.610 18.401 19.000 0.019 0.000 0.823 3379 A HN 0.365 nan 8.150 nan 0.000 0.442 3380 A N -1.066 121.781 122.820 0.045 0.000 1.933 3380 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 3380 A C 2.006 179.616 177.584 0.044 0.000 1.175 3380 A CA 2.073 54.132 52.037 0.037 0.000 0.628 3380 A CB -0.857 18.165 19.000 0.036 0.000 0.814 3380 A HN 0.781 nan 8.150 nan 0.000 0.444 3381 H N -0.209 118.857 119.070 -0.007 0.000 2.326 3381 H HA 0.054 4.610 4.556 -0.001 0.000 0.301 3381 H C 2.217 177.540 175.328 -0.008 0.000 1.081 3381 H CA 1.970 58.014 56.048 -0.008 0.000 1.334 3381 H CB -0.199 29.556 29.762 -0.012 0.000 1.385 3381 H HN 0.388 nan 8.280 nan 0.000 0.504 3382 A N -0.637 122.246 122.820 0.104 0.000 1.908 3382 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 3382 A C 2.569 180.141 177.584 -0.019 0.000 1.181 3382 A CA 2.063 54.132 52.037 0.053 0.000 0.627 3382 A CB -1.067 17.971 19.000 0.063 0.000 0.818 3382 A HN 0.515 nan 8.150 nan 0.000 0.445 3383 S N -0.640 115.049 115.700 -0.019 0.000 2.341 3383 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 3383 S C 1.876 176.447 174.600 -0.048 0.000 1.034 3383 S CA 1.061 59.246 58.200 -0.025 0.000 0.964 3383 S CB -0.398 62.796 63.200 -0.011 0.000 0.882 3383 S HN 0.596 nan 8.310 nan 0.000 0.469 3384 N N 1.086 119.751 118.700 -0.058 0.000 2.354 3384 N HA 0.231 4.971 4.740 -0.001 0.000 0.179 3384 N C 1.063 176.507 175.510 -0.109 0.000 1.021 3384 N CA 1.017 54.028 53.050 -0.065 0.000 0.887 3384 N CB -0.130 38.330 38.487 -0.044 0.000 0.974 3384 N HN 0.623 nan 8.380 nan 0.000 0.437 3385 G N 0.671 109.347 108.800 -0.206 0.000 2.498 3385 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 3385 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 3385 G C 0.148 174.788 174.900 -0.433 0.000 1.284 3385 G CA 0.043 44.960 45.100 -0.305 0.000 0.950 3385 G HN 0.349 nan 8.290 nan 0.000 0.511 3386 N N -0.307 118.192 118.700 -0.335 0.000 2.446 3386 N HA 0.003 4.743 4.740 -0.001 0.000 0.179 3386 N C 1.593 177.099 175.510 -0.006 0.000 1.054 3386 N CA 1.614 54.603 53.050 -0.101 0.000 0.905 3386 N CB -0.078 38.453 38.487 0.073 0.000 0.973 3386 N HN 0.883 nan 8.380 nan 0.000 0.448 3387 K N -1.002 119.375 120.400 -0.037 0.000 2.374 3387 K HA 0.266 4.585 4.320 -0.001 0.000 0.196 3387 K C -0.321 176.272 176.600 -0.013 0.000 1.023 3387 K CA -0.015 56.265 56.287 -0.012 0.000 1.103 3387 K CB 0.079 32.570 32.500 -0.015 0.000 0.848 3387 K HN 0.118 nan 8.250 nan 0.000 0.528 3388 C N 1.521 120.805 119.300 -0.027 0.000 3.114 3388 C HA 0.689 5.148 4.460 -0.001 0.000 0.215 3388 C C 0.143 175.132 174.990 -0.001 0.000 1.759 3388 C CA -0.707 58.301 59.018 -0.017 0.000 1.455 3388 C CB -0.570 27.149 27.740 -0.035 0.000 2.528 3388 C HN 0.598 nan 8.230 nan 0.000 0.511 3389 A N 0.077 122.917 122.820 0.034 0.000 2.593 3389 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 3389 A C -0.076 177.553 177.584 0.075 0.000 1.233 3389 A CA 0.222 52.306 52.037 0.079 0.000 0.661 3389 A CB 0.342 19.451 19.000 0.183 0.000 1.338 3389 A HN 1.915 nan 8.150 nan 0.000 0.495 3390 G N -2.106 106.741 108.800 0.077 0.000 2.699 3390 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 3390 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 3390 G C -0.982 173.940 174.900 0.038 0.000 1.301 3390 G CA -0.096 45.032 45.100 0.048 0.000 0.816 3390 G HN 2.063 nan 8.290 nan 0.000 0.595 3391 L N 0.538 121.777 121.223 0.026 0.000 2.289 3391 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 3391 L C 0.182 177.075 176.870 0.039 0.000 1.049 3391 L CA -1.027 53.826 54.840 0.021 0.000 0.804 3391 L CB 1.602 43.660 42.059 -0.002 0.000 1.195 3391 L HN 0.721 nan 8.230 nan 0.000 0.428 3392 N N 2.996 121.728 118.700 0.054 0.000 2.527 3392 N HA 0.212 4.952 4.740 -0.001 0.000 0.236 3392 N C 0.766 176.314 175.510 0.064 0.000 0.999 3392 N CA -0.222 52.891 53.050 0.105 0.000 0.935 3392 N CB 1.055 39.616 38.487 0.124 0.000 1.132 3392 N HN 0.525 nan 8.380 nan 0.000 0.511 3393 V N 1.324 121.229 119.914 -0.014 0.000 2.970 3393 V HA 0.022 4.142 4.120 -0.001 0.000 0.260 3393 V C 1.345 177.341 176.094 -0.164 0.000 1.100 3393 V CA 1.122 63.341 62.300 -0.134 0.000 1.122 3393 V CB -1.155 30.517 31.823 -0.251 0.000 0.721 3393 V HN 0.398 nan 8.190 nan 0.000 0.483 3394 F N 2.704 122.651 119.950 -0.004 0.000 2.234 3394 F HA -0.021 4.506 4.527 -0.001 0.000 0.299 3394 F C 2.595 178.393 175.800 -0.003 0.000 1.087 3394 F CA 1.871 59.869 58.000 -0.003 0.000 1.340 3394 F CB -0.570 38.428 39.000 -0.002 0.000 1.031 3394 F HN 0.425 nan 8.300 nan 0.000 0.500 3395 T N -4.559 110.095 114.554 0.167 0.000 2.985 3395 T HA 0.415 4.765 4.350 -0.001 0.000 0.254 3395 T C 1.427 176.155 174.700 0.046 0.000 1.021 3395 T CA 0.369 62.523 62.100 0.089 0.000 0.957 3395 T CB 0.345 69.258 68.868 0.075 0.000 1.047 3395 T HN 0.344 nan 8.240 nan 0.000 0.511 3396 G N 1.170 109.990 108.800 0.032 0.000 2.291 3396 G HA2 0.288 4.248 3.960 -0.001 0.000 0.271 3396 G HA3 0.288 4.248 3.960 -0.001 0.000 0.271 3396 G C 0.026 174.932 174.900 0.010 0.000 1.099 3396 G CA -0.219 44.884 45.100 0.005 0.000 0.919 3396 G HN 1.401 nan 8.290 nan 0.000 0.496 3397 A N -1.349 121.482 122.820 0.019 0.000 2.604 3397 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 3397 A C 0.027 177.625 177.584 0.023 0.000 1.067 3397 A CA 0.096 52.144 52.037 0.018 0.000 0.683 3397 A CB 1.672 20.685 19.000 0.021 0.000 1.281 3397 A HN 1.783 nan 8.150 nan 0.000 0.407 3398 V N 1.860 121.785 119.914 0.019 0.000 2.599 3398 V HA 0.429 4.548 4.120 -0.001 0.000 0.300 3398 V C -0.224 175.886 176.094 0.027 0.000 1.034 3398 V CA 0.861 63.174 62.300 0.023 0.000 1.115 3398 V CB 0.540 32.376 31.823 0.021 0.000 0.934 3398 V HN 0.872 nan 8.190 nan 0.000 0.485 3399 E N 3.677 123.897 120.200 0.033 0.000 2.458 3399 E HA 0.315 4.664 4.350 -0.001 0.000 0.278 3399 E C -1.425 175.194 176.600 0.031 0.000 1.004 3399 E CA -0.716 55.703 56.400 0.032 0.000 0.823 3399 E CB 1.473 31.197 29.700 0.039 0.000 1.396 3399 E HN 0.715 nan 8.360 nan 0.000 0.463 3400 D N 1.925 122.339 120.400 0.024 0.000 2.393 3400 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 3400 D C 0.928 177.242 176.300 0.023 0.000 1.192 3400 D CA -0.153 53.859 54.000 0.020 0.000 0.882 3400 D CB 0.542 41.348 40.800 0.010 0.000 1.038 3400 D HN 0.214 nan 8.370 nan 0.000 0.499 3401 M N 2.189 121.808 119.600 0.031 0.000 2.159 3401 M HA -0.144 4.335 4.480 -0.001 0.000 0.263 3401 M C 2.346 178.660 176.300 0.023 0.000 1.063 3401 M CA 0.639 55.959 55.300 0.034 0.000 1.110 3401 M CB -1.180 31.445 32.600 0.042 0.000 1.374 3401 M HN 0.535 nan 8.290 nan 0.000 0.411 3402 C N 0.713 120.024 119.300 0.019 0.000 2.453 3402 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 3402 C C 2.688 177.682 174.990 0.005 0.000 1.262 3402 C CA 1.359 60.384 59.018 0.012 0.000 1.718 3402 C CB -0.914 26.832 27.740 0.010 0.000 2.031 3402 C HN 0.638 nan 8.230 nan 0.000 0.480 3403 E N 0.158 120.360 120.200 0.004 0.000 2.118 3403 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 3403 E C 1.391 177.988 176.600 -0.004 0.000 0.992 3403 E CA 1.349 57.749 56.400 -0.000 0.000 0.804 3403 E CB -0.208 29.492 29.700 0.000 0.000 0.741 3403 E HN 0.661 nan 8.360 nan 0.000 0.458 3404 N N -0.415 118.283 118.700 -0.002 0.000 2.461 3404 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 3404 N C 0.769 176.267 175.510 -0.020 0.000 1.134 3404 N CA 0.935 53.977 53.050 -0.013 0.000 0.878 3404 N CB 0.907 39.390 38.487 -0.007 0.000 0.972 3404 N HN 0.343 nan 8.380 nan 0.000 0.456 3405 G N 0.459 109.253 108.800 -0.010 0.000 2.147 3405 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 3405 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 3405 G C -0.001 174.896 174.900 -0.004 0.000 1.005 3405 G CA 0.049 45.142 45.100 -0.010 0.000 0.713 3405 G HN 0.197 nan 8.290 nan 0.000 0.515 3406 V N 1.478 121.396 119.914 0.007 0.000 2.222 3406 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 3406 V C 0.829 176.939 176.094 0.026 0.000 1.210 3406 V CA 0.158 62.473 62.300 0.024 0.000 1.079 3406 V CB 0.408 32.259 31.823 0.047 0.000 1.265 3406 V HN 1.047 nan 8.190 nan 0.000 0.494 3407 V N 1.922 121.848 119.914 0.020 0.000 3.130 3407 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 3407 V C -0.760 175.345 176.094 0.018 0.000 1.158 3407 V CA -0.909 61.402 62.300 0.019 0.000 1.029 3407 V CB 2.437 34.268 31.823 0.014 0.000 1.057 3407 V HN 0.776 nan 8.190 nan 0.000 0.436 3408 E N 0.953 121.163 120.200 0.017 0.000 2.390 3408 E HA 0.658 5.007 4.350 -0.001 0.000 0.277 3408 E C -3.278 173.330 176.600 0.013 0.000 0.939 3408 E CA -2.370 54.039 56.400 0.015 0.000 0.769 3408 E CB 2.337 32.046 29.700 0.015 0.000 1.251 3408 E HN 0.453 nan 8.360 nan 0.000 0.450 3409 P HA -0.046 nan 4.420 nan 0.000 0.266 3409 P C 0.519 177.827 177.300 0.013 0.000 1.195 3409 P CA -0.339 62.768 63.100 0.012 0.000 0.768 3409 P CB 0.507 32.213 31.700 0.010 0.000 0.838 3410 L N 4.475 125.707 121.223 0.014 0.000 2.012 3410 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 3410 L C 2.418 179.297 176.870 0.016 0.000 1.073 3410 L CA 1.866 56.715 54.840 0.016 0.000 0.748 3410 L CB -0.835 41.235 42.059 0.017 0.000 0.891 3410 L HN 0.311 nan 8.230 nan 0.000 0.431 3411 R N -0.968 119.540 120.500 0.014 0.000 2.133 3411 R HA -0.186 4.153 4.340 -0.001 0.000 0.247 3411 R C 2.029 178.337 176.300 0.012 0.000 1.151 3411 R CA 2.132 58.240 56.100 0.013 0.000 0.971 3411 R CB -0.405 29.902 30.300 0.012 0.000 0.866 3411 R HN 0.395 nan 8.270 nan 0.000 0.447 3412 V N 1.042 120.962 119.914 0.011 0.000 2.295 3412 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 3412 V C 2.332 178.431 176.094 0.007 0.000 1.049 3412 V CA 2.083 64.388 62.300 0.008 0.000 1.024 3412 V CB -0.482 31.345 31.823 0.008 0.000 0.648 3412 V HN 0.283 nan 8.190 nan 0.000 0.447 3413 K N 0.791 121.197 120.400 0.009 0.000 2.103 3413 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 3413 K C 2.224 178.832 176.600 0.014 0.000 1.052 3413 K CA 1.932 58.223 56.287 0.008 0.000 0.945 3413 K CB -0.669 31.838 32.500 0.011 0.000 0.722 3413 K HN 0.678 nan 8.250 nan 0.000 0.443 3414 T N -2.127 112.438 114.554 0.019 0.000 2.942 3414 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 3414 T C 1.875 176.591 174.700 0.026 0.000 1.062 3414 T CA 0.818 62.934 62.100 0.027 0.000 1.139 3414 T CB -0.153 68.731 68.868 0.027 0.000 0.883 3414 T HN 0.104 nan 8.240 nan 0.000 0.468 3415 Q N 1.899 121.710 119.800 0.019 0.000 2.123 3415 Q HA 0.259 4.599 4.340 -0.001 0.000 0.199 3415 Q C 2.416 178.426 176.000 0.015 0.000 0.966 3415 Q CA 1.722 57.536 55.803 0.017 0.000 0.845 3415 Q CB -0.994 27.752 28.738 0.013 0.000 0.907 3415 Q HN 0.627 nan 8.270 nan 0.000 0.439 3416 A N 0.575 123.401 122.820 0.009 0.000 1.908 3416 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 3416 A C 1.945 179.531 177.584 0.003 0.000 1.181 3416 A CA 1.643 53.679 52.037 -0.001 0.000 0.627 3416 A CB -0.718 18.274 19.000 -0.012 0.000 0.818 3416 A HN 0.453 nan 8.150 nan 0.000 0.445 3417 I N -0.471 120.110 120.570 0.019 0.000 2.202 3417 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 3417 I C 2.646 178.806 176.117 0.072 0.000 1.091 3417 I CA 1.936 63.267 61.300 0.051 0.000 1.368 3417 I CB -1.434 36.615 38.000 0.082 0.000 1.058 3417 I HN 0.470 nan 8.210 nan 0.000 0.410 3418 Q N 1.263 121.096 119.800 0.055 0.000 2.030 3418 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 3418 Q C 2.412 178.440 176.000 0.048 0.000 0.986 3418 Q CA 2.592 58.426 55.803 0.052 0.000 0.843 3418 Q CB -0.300 28.461 28.738 0.037 0.000 0.904 3418 Q HN 0.344 nan 8.270 nan 0.000 0.420 3419 S N 0.013 115.734 115.700 0.034 0.000 2.368 3419 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 3419 S C 1.902 176.521 174.600 0.031 0.000 1.030 3419 S CA 0.970 59.187 58.200 0.028 0.000 0.999 3419 S CB -0.630 62.580 63.200 0.017 0.000 0.844 3419 S HN 0.595 nan 8.310 nan 0.000 0.459 3420 A N 1.570 124.405 122.820 0.025 0.000 1.877 3420 A HA 0.126 4.445 4.320 -0.001 0.000 0.216 3420 A C 2.353 179.969 177.584 0.053 0.000 1.186 3420 A CA 1.711 53.757 52.037 0.016 0.000 0.620 3420 A CB -1.109 17.876 19.000 -0.025 0.000 0.822 3420 A HN 0.508 nan 8.150 nan 0.000 0.443 3421 A N 0.736 123.614 122.820 0.098 0.000 1.898 3421 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 3421 A C 1.996 179.660 177.584 0.133 0.000 1.181 3421 A CA 1.740 53.878 52.037 0.168 0.000 0.620 3421 A CB -0.639 18.485 19.000 0.206 0.000 0.819 3421 A HN 0.786 nan 8.150 nan 0.000 0.442 3422 E N 0.285 120.539 120.200 0.091 0.000 2.208 3422 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 3422 E C 1.818 178.458 176.600 0.065 0.000 0.988 3422 E CA 1.394 57.837 56.400 0.072 0.000 0.828 3422 E CB -0.344 29.387 29.700 0.052 0.000 0.763 3422 E HN 0.633 nan 8.360 nan 0.000 0.478 3423 S N 0.288 116.025 115.700 0.061 0.000 2.446 3423 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 3423 S C 2.004 176.642 174.600 0.063 0.000 1.016 3423 S CA 0.948 59.178 58.200 0.050 0.000 0.943 3423 S CB -0.277 62.944 63.200 0.035 0.000 0.786 3423 S HN 0.205 nan 8.310 nan 0.000 0.508 3424 T N 2.292 116.899 114.554 0.089 0.000 2.737 3424 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 3424 T C 1.737 176.519 174.700 0.136 0.000 1.038 3424 T CA 1.571 63.747 62.100 0.128 0.000 1.144 3424 T CB -0.384 68.602 68.868 0.196 0.000 0.866 3424 T HN 0.661 nan 8.240 nan 0.000 0.434 3425 E N 0.719 121.001 120.200 0.137 0.000 2.110 3425 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 3425 E C 2.231 178.869 176.600 0.063 0.000 0.988 3425 E CA 0.850 57.310 56.400 0.099 0.000 0.804 3425 E CB -0.210 29.545 29.700 0.092 0.000 0.745 3425 E HN 0.451 nan 8.360 nan 0.000 0.458 3426 M N 0.687 120.323 119.600 0.059 0.000 2.073 3426 M HA -0.235 4.245 4.480 -0.001 0.000 0.258 3426 M C 2.359 178.683 176.300 0.040 0.000 1.070 3426 M CA 1.600 56.927 55.300 0.044 0.000 1.103 3426 M CB -0.202 32.422 32.600 0.041 0.000 1.321 3426 M HN 0.338 nan 8.290 nan 0.000 0.405 3427 L N 0.526 121.776 121.223 0.045 0.000 2.012 3427 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 3427 L C 2.249 179.137 176.870 0.031 0.000 1.073 3427 L CA 1.451 56.314 54.840 0.038 0.000 0.748 3427 L CB -0.323 41.758 42.059 0.038 0.000 0.891 3427 L HN 0.419 nan 8.230 nan 0.000 0.431 3428 L N -0.685 120.559 121.223 0.034 0.000 2.131 3428 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 3428 L C 2.684 179.561 176.870 0.011 0.000 1.092 3428 L CA 1.131 55.980 54.840 0.015 0.000 0.759 3428 L CB -0.469 41.598 42.059 0.013 0.000 0.903 3428 L HN 0.246 nan 8.230 nan 0.000 0.435 3429 R N -0.202 120.311 120.500 0.022 0.000 2.189 3429 R HA 0.061 4.400 4.340 -0.001 0.000 0.218 3429 R C 0.435 176.746 176.300 0.019 0.000 1.074 3429 R CA 0.527 56.639 56.100 0.021 0.000 0.991 3429 R CB -0.072 30.243 30.300 0.025 0.000 0.883 3429 R HN 0.278 nan 8.270 nan 0.000 0.457 3430 I N 0.835 121.417 120.570 0.020 0.000 2.331 3430 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 3430 I C 0.265 176.393 176.117 0.017 0.000 0.998 3430 I CA 0.024 61.337 61.300 0.021 0.000 1.267 3430 I CB 1.518 39.535 38.000 0.028 0.000 1.386 3430 I HN -0.117 nan 8.210 nan 0.000 0.476 3431 D N 3.375 123.784 120.400 0.016 0.000 2.539 3431 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 3431 D C -0.798 175.513 176.300 0.019 0.000 1.256 3431 D CA 0.238 54.245 54.000 0.011 0.000 0.810 3431 D CB 0.514 41.315 40.800 0.002 0.000 1.090 3431 D HN 0.432 nan 8.370 nan 0.000 0.519 3432 D N 0.036 120.449 120.400 0.023 0.000 2.861 3432 D HA 0.199 4.839 4.640 -0.001 0.000 0.216 3432 D C -1.363 174.952 176.300 0.024 0.000 1.323 3432 D CA -0.403 53.611 54.000 0.024 0.000 0.917 3432 D CB 1.905 42.716 40.800 0.018 0.000 1.582 3432 D HN -0.263 nan 8.370 nan 0.000 0.576 3433 V N 5.178 125.109 119.914 0.028 0.000 2.347 3433 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 3433 V C 0.408 176.508 176.094 0.010 0.000 1.021 3433 V CA -0.551 61.761 62.300 0.021 0.000 0.847 3433 V CB 1.275 33.115 31.823 0.028 0.000 0.990 3433 V HN 0.477 nan 8.190 nan 0.000 0.444 3434 I N 4.913 125.485 120.570 0.003 0.000 2.371 3434 I HA 0.646 4.816 4.170 -0.001 0.000 0.282 3434 I C 0.396 176.507 176.117 -0.009 0.000 1.031 3434 I CA -0.210 61.090 61.300 -0.001 0.000 1.180 3434 I CB 1.294 39.295 38.000 0.001 0.000 1.336 3434 I HN 0.657 nan 8.210 nan 0.000 0.467 3435 A N 4.867 127.678 122.820 -0.015 0.000 2.337 3435 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 3435 A C 0.106 177.680 177.584 -0.017 0.000 1.146 3435 A CA -0.500 51.524 52.037 -0.023 0.000 0.800 3435 A CB 1.205 20.182 19.000 -0.039 0.000 1.220 3435 A HN 0.718 nan 8.150 nan 0.000 0.472 3436 A N 1.764 124.574 122.820 -0.016 0.000 2.313 3436 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 3436 A C 0.413 177.989 177.584 -0.014 0.000 1.090 3436 A CA -0.269 51.760 52.037 -0.013 0.000 0.807 3436 A CB -0.176 18.818 19.000 -0.010 0.000 1.055 3436 A HN 0.893 nan 8.150 nan 0.000 0.492 3437 E N 0.000 120.193 120.200 -0.011 0.000 2.725 3437 E HA 0.000 4.350 4.350 -0.001 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 -0.008 0.000 0.812 3437 E HN 0.000 nan 8.360 nan 0.000 0.440