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 1koa_1_A DATA FIRST_RESID 5915 DATA SEQUENCE YDNYVFDIWK QYYPQPVEIK HDHVLDHYDI HEELGTGAFG VVHRVTERAT DATA SEQUENCE GNNFAAKFVM TPHESDKETV RKEIQTMSVL RHPTLVNLHD AFEDDNEMVM DATA SEQUENCE IYEFMSGGEL FEKVADEHNK MSEDEAVEYM RQVCKGLCHM HENNYVHLDL DATA SEQUENCE KPENIMFTTK RSNELKLIDF GLTAHLDPKQ SVKVTTGTAE FAAPEVAEGK DATA SEQUENCE PVGYYTDMWS VGVLSYILLS GLSPFGGEND DETLRNVKSC DWNMDDSAFS DATA SEQUENCE GISEDGKDFI RKLLLADPNT RMTIHQALEH PWLTPGNAPG RDSQIPSSRY DATA SEQUENCE TKIRDSIKTK YDAWPEPLPP LGRISNYSSL RKHRPQEYSI RDAFWDRSEA DATA SEQUENCE QPRFIVKPYG TEVGEGQSAN FYCRVIASSP PVVTWHKDDR ELKQSVKYMK DATA SEQUENCE RYNGNDYGLT INRVKGDDKG EYTVRAKNSY GTKEEIVFLN VTRHSEP 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 5915 Y HA 0.000 nan 4.550 nan 0.000 0.201 5915 Y C 0.000 176.116 175.900 0.360 0.000 1.272 5915 Y CA 0.000 58.376 58.100 0.459 0.000 1.940 5915 Y CB 0.000 38.763 38.460 0.505 0.000 1.050 5916 D N 0.751 121.331 120.400 0.299 0.000 2.182 5916 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 5916 D C 1.234 177.611 176.300 0.128 0.000 0.986 5916 D CA 1.730 55.853 54.000 0.205 0.000 0.847 5916 D CB -0.178 40.692 40.800 0.117 0.000 0.942 5916 D HN 0.299 nan 8.370 nan 0.000 0.467 5917 N N -0.727 117.972 118.700 -0.001 0.000 2.609 5917 N HA -0.095 4.645 4.740 -0.000 0.000 0.190 5917 N C 0.450 175.889 175.510 -0.119 0.000 1.157 5917 N CA 0.446 53.431 53.050 -0.109 0.000 0.918 5917 N CB -0.044 38.297 38.487 -0.243 0.000 0.978 5917 N HN 0.341 nan 8.380 nan 0.000 0.448 5918 Y N -0.551 119.771 120.300 0.037 0.000 2.500 5918 Y HA 0.164 4.714 4.550 -0.000 0.000 0.270 5918 Y C 1.158 176.975 175.900 -0.139 0.000 1.134 5918 Y CA -0.479 57.562 58.100 -0.097 0.000 1.293 5918 Y CB -0.160 38.110 38.460 -0.317 0.000 1.063 5918 Y HN -0.108 nan 8.280 nan 0.000 0.534 5919 V N -1.184 118.801 119.914 0.117 0.000 3.134 5919 V HA 0.749 4.869 4.120 -0.000 0.000 0.313 5919 V C -0.554 175.514 176.094 -0.044 0.000 1.069 5919 V CA -1.037 61.217 62.300 -0.077 0.000 1.048 5919 V CB 1.549 33.404 31.823 0.053 0.000 1.119 5919 V HN 0.144 nan 8.190 nan 0.000 0.461 5920 F N -1.121 118.871 119.950 0.070 0.000 2.900 5920 F HA 0.563 5.090 4.527 -0.000 0.000 0.321 5920 F C -1.206 174.624 175.800 0.050 0.000 1.160 5920 F CA -1.379 56.651 58.000 0.049 0.000 0.890 5920 F CB 0.658 39.669 39.000 0.019 0.000 1.334 5920 F HN 0.522 nan 8.300 nan 0.000 0.459 5921 D N 2.011 122.656 120.400 0.409 0.000 2.422 5921 D HA 0.354 4.994 4.640 -0.000 0.000 0.227 5921 D C 1.444 177.929 176.300 0.308 0.000 1.190 5921 D CA -0.201 53.980 54.000 0.301 0.000 0.905 5921 D CB 0.374 41.321 40.800 0.246 0.000 1.034 5921 D HN 0.509 nan 8.370 nan 0.000 0.507 5922 I N 2.442 123.119 120.570 0.179 0.000 2.091 5922 I HA -0.329 3.841 4.170 -0.000 0.000 0.240 5922 I C 1.759 177.735 176.117 -0.236 0.000 1.046 5922 I CA 1.468 62.696 61.300 -0.121 0.000 1.306 5922 I CB -1.263 36.417 38.000 -0.534 0.000 1.018 5922 I HN 0.612 nan 8.210 nan 0.000 0.404 5923 W N 1.128 122.425 121.300 -0.005 0.000 2.318 5923 W HA -0.232 4.428 4.660 -0.000 0.000 0.313 5923 W C 2.651 179.195 176.519 0.043 0.000 1.221 5923 W CA 1.427 58.769 57.345 -0.004 0.000 1.266 5923 W CB -0.616 28.834 29.460 -0.017 0.000 1.150 5923 W HN 0.108 nan 8.180 nan 0.000 0.496 5924 K N 0.183 120.752 120.400 0.280 0.000 2.442 5924 K HA -0.173 4.147 4.320 -0.000 0.000 0.198 5924 K C 1.744 178.441 176.600 0.162 0.000 1.042 5924 K CA 0.960 57.364 56.287 0.195 0.000 0.958 5924 K CB 0.078 32.679 32.500 0.168 0.000 0.766 5924 K HN 0.169 nan 8.250 nan 0.000 0.474 5925 Q N -0.778 119.123 119.800 0.168 0.000 2.387 5925 Q HA 0.049 4.389 4.340 -0.000 0.000 0.208 5925 Q C -0.143 176.123 176.000 0.443 0.000 0.935 5925 Q CA 0.828 56.775 55.803 0.240 0.000 0.891 5925 Q CB 0.550 29.439 28.738 0.250 0.000 1.007 5925 Q HN 0.306 nan 8.270 nan 0.000 0.548 5926 Y N -3.869 116.451 120.300 0.033 0.000 2.604 5926 Y HA 0.387 4.937 4.550 -0.000 0.000 0.331 5926 Y C -1.163 174.799 175.900 0.103 0.000 1.158 5926 Y CA -2.535 55.606 58.100 0.069 0.000 1.056 5926 Y CB -0.207 38.279 38.460 0.045 0.000 1.330 5926 Y HN -0.050 nan 8.280 nan 0.000 0.457 5927 Y N 4.461 124.884 120.300 0.204 0.000 2.770 5927 Y HA 0.351 4.901 4.550 -0.000 0.000 0.342 5927 Y C -2.494 173.452 175.900 0.078 0.000 1.221 5927 Y CA -2.697 55.485 58.100 0.136 0.000 1.560 5927 Y CB 0.483 39.025 38.460 0.137 0.000 1.213 5927 Y HN 0.391 nan 8.280 nan 0.000 0.525 5928 P HA 0.087 nan 4.420 nan 0.000 0.260 5928 P C -0.807 176.121 177.300 -0.621 0.000 1.651 5928 P CA 0.080 62.902 63.100 -0.462 0.000 1.139 5928 P CB 0.151 31.472 31.700 -0.632 0.000 1.756 5929 Q N 3.945 123.404 119.800 -0.568 0.000 2.432 5929 Q HA 0.119 4.459 4.340 -0.000 0.000 0.264 5929 Q C -1.785 174.041 176.000 -0.290 0.000 1.035 5929 Q CA -1.384 54.109 55.803 -0.516 0.000 0.908 5929 Q CB -0.358 28.272 28.738 -0.179 0.000 1.280 5929 Q HN 0.352 nan 8.270 nan 0.000 0.455 5930 P HA -0.039 nan 4.420 nan 0.000 0.271 5930 P C -0.862 176.339 177.300 -0.165 0.000 1.233 5930 P CA -0.262 62.752 63.100 -0.144 0.000 0.789 5930 P CB 0.260 31.911 31.700 -0.082 0.000 0.951 5931 V N -1.298 118.514 119.914 -0.170 0.000 2.415 5931 V HA 0.292 4.412 4.120 -0.000 0.000 0.267 5931 V C 0.081 176.056 176.094 -0.198 0.000 1.042 5931 V CA -0.174 61.998 62.300 -0.213 0.000 1.000 5931 V CB -0.279 31.412 31.823 -0.220 0.000 1.015 5931 V HN 0.281 nan 8.190 nan 0.000 0.478 5932 E N 5.167 125.228 120.200 -0.231 0.000 2.113 5932 E HA 0.475 4.825 4.350 -0.000 0.000 0.273 5932 E C -0.057 176.355 176.600 -0.312 0.000 0.924 5932 E CA -0.691 55.580 56.400 -0.215 0.000 0.764 5932 E CB 2.071 31.672 29.700 -0.166 0.000 1.104 5932 E HN 0.793 nan 8.360 nan 0.000 0.406 5933 I N 3.438 123.824 120.570 -0.306 0.000 2.691 5933 I HA -0.104 4.066 4.170 -0.000 0.000 0.288 5933 I C 0.828 176.638 176.117 -0.511 0.000 1.143 5933 I CA 0.507 61.572 61.300 -0.392 0.000 1.364 5933 I CB -0.204 37.610 38.000 -0.310 0.000 1.435 5933 I HN 0.045 nan 8.210 nan 0.000 0.551 5934 K N 6.094 126.120 120.400 -0.623 0.000 2.416 5934 K HA 0.071 4.391 4.320 -0.000 0.000 0.283 5934 K C 0.764 177.192 176.600 -0.286 0.000 1.037 5934 K CA -0.344 55.618 56.287 -0.541 0.000 0.995 5934 K CB 0.743 32.703 32.500 -0.900 0.000 0.938 5934 K HN 0.503 nan 8.250 nan 0.000 0.475 5935 H N 1.487 120.547 119.070 -0.017 0.000 2.551 5935 H HA -0.037 4.519 4.556 -0.000 0.000 0.266 5935 H C -0.040 175.370 175.328 0.137 0.000 0.977 5935 H CA 0.410 56.494 56.048 0.060 0.000 1.163 5935 H CB 0.132 29.912 29.762 0.029 0.000 1.381 5935 H HN 0.720 nan 8.280 nan 0.000 0.581 5936 D N -1.354 119.226 120.400 0.299 0.000 2.451 5936 D HA 0.035 4.675 4.640 -0.000 0.000 0.259 5936 D C 0.275 176.796 176.300 0.369 0.000 1.201 5936 D CA -0.640 53.544 54.000 0.305 0.000 1.028 5936 D CB 0.699 41.681 40.800 0.303 0.000 1.095 5936 D HN 0.128 nan 8.370 nan 0.000 0.539 5937 H N -0.611 118.553 119.070 0.156 0.000 2.683 5937 H HA 0.084 4.640 4.556 -0.000 0.000 0.339 5937 H C 1.584 176.874 175.328 -0.064 0.000 1.081 5937 H CA -0.636 55.437 56.048 0.042 0.000 1.432 5937 H CB 1.419 31.193 29.762 0.020 0.000 1.462 5937 H HN 0.414 nan 8.280 nan 0.000 0.557 5938 V N 3.678 123.118 119.914 -0.789 0.000 2.363 5938 V HA -0.303 3.817 4.120 -0.000 0.000 0.254 5938 V C 2.036 177.821 176.094 -0.515 0.000 1.074 5938 V CA 1.813 63.405 62.300 -1.180 0.000 1.069 5938 V CB -0.869 30.265 31.823 -1.150 0.000 0.659 5938 V HN 0.730 nan 8.190 nan 0.000 0.455 5939 L N 0.194 121.138 121.223 -0.465 0.000 2.141 5939 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 5939 L C 2.197 179.079 176.870 0.021 0.000 1.094 5939 L CA 1.622 56.380 54.840 -0.136 0.000 0.763 5939 L CB -0.695 41.315 42.059 -0.081 0.000 0.908 5939 L HN 0.360 nan 8.230 nan 0.000 0.437 5940 D N -1.441 118.998 120.400 0.064 0.000 2.371 5940 D HA -0.097 4.543 4.640 -0.000 0.000 0.234 5940 D C 1.389 177.725 176.300 0.060 0.000 1.049 5940 D CA 0.811 54.865 54.000 0.089 0.000 0.907 5940 D CB 0.202 41.084 40.800 0.137 0.000 0.891 5940 D HN 0.473 nan 8.370 nan 0.000 0.531 5941 H N -1.958 117.159 119.070 0.078 0.000 2.602 5941 H HA 0.073 4.629 4.556 -0.000 0.000 0.222 5941 H C -0.103 175.174 175.328 -0.085 0.000 0.886 5941 H CA 0.223 56.304 56.048 0.054 0.000 1.008 5941 H CB 1.197 31.138 29.762 0.298 0.000 1.380 5941 H HN 0.019 nan 8.280 nan 0.000 0.417 5942 Y N 0.730 121.112 120.300 0.137 0.000 2.662 5942 Y HA 0.370 4.920 4.550 -0.000 0.000 0.335 5942 Y C -0.523 175.423 175.900 0.077 0.000 1.066 5942 Y CA -1.205 56.967 58.100 0.119 0.000 1.116 5942 Y CB 1.116 39.645 38.460 0.115 0.000 1.308 5942 Y HN -0.105 nan 8.280 nan 0.000 0.502 5943 D N 1.175 121.765 120.400 0.316 0.000 2.375 5943 D HA 0.421 5.061 4.640 -0.000 0.000 0.247 5943 D C -0.574 175.888 176.300 0.271 0.000 1.061 5943 D CA -0.258 53.872 54.000 0.216 0.000 0.834 5943 D CB 1.877 42.806 40.800 0.214 0.000 1.247 5943 D HN 0.345 nan 8.370 nan 0.000 0.489 5944 I N 2.069 122.712 120.570 0.123 0.000 2.474 5944 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 5944 I C 0.472 176.647 176.117 0.096 0.000 1.048 5944 I CA -0.077 61.293 61.300 0.117 0.000 1.383 5944 I CB 0.473 38.444 38.000 -0.047 0.000 1.412 5944 I HN 0.284 nan 8.210 nan 0.000 0.531 5945 H N 2.431 121.559 119.070 0.097 0.000 3.379 5945 H HA 0.319 4.875 4.556 -0.000 0.000 0.298 5945 H C -0.594 174.851 175.328 0.196 0.000 1.672 5945 H CA -0.857 55.262 56.048 0.119 0.000 1.446 5945 H CB 0.308 30.130 29.762 0.101 0.000 1.710 5945 H HN 0.516 nan 8.280 nan 0.000 0.791 5946 E N 0.554 120.942 120.200 0.313 0.000 2.565 5946 E HA -0.063 4.287 4.350 -0.000 0.000 0.268 5946 E C -0.198 176.446 176.600 0.072 0.000 1.000 5946 E CA 0.228 56.741 56.400 0.188 0.000 0.964 5946 E CB 0.677 30.489 29.700 0.187 0.000 0.955 5946 E HN 0.404 nan 8.360 nan 0.000 0.459 5947 E N 1.228 121.341 120.200 -0.144 0.000 2.369 5947 E HA 0.165 4.515 4.350 -0.000 0.000 0.255 5947 E C 0.132 176.581 176.600 -0.252 0.000 1.172 5947 E CA -0.210 55.867 56.400 -0.538 0.000 0.932 5947 E CB 0.516 29.912 29.700 -0.507 0.000 1.040 5947 E HN 0.596 nan 8.360 nan 0.000 0.454 5948 L N -0.168 120.882 121.223 -0.288 0.000 2.658 5948 L HA 0.396 4.736 4.340 -0.000 0.000 0.222 5948 L C 0.600 177.353 176.870 -0.194 0.000 1.033 5948 L CA 0.089 54.808 54.840 -0.202 0.000 0.949 5948 L CB 0.962 42.883 42.059 -0.231 0.000 1.698 5948 L HN 0.547 nan 8.230 nan 0.000 0.498 5949 G N 0.003 108.671 108.800 -0.221 0.000 2.766 5949 G HA2 0.562 4.522 3.960 -0.000 0.000 0.297 5949 G HA3 0.562 4.522 3.960 -0.000 0.000 0.297 5949 G C -1.309 173.475 174.900 -0.193 0.000 1.431 5949 G CA -0.153 44.822 45.100 -0.208 0.000 1.042 5949 G HN -0.228 nan 8.290 nan 0.000 0.542 5950 T N 0.850 115.316 114.554 -0.146 0.000 2.792 5950 T HA 0.764 5.114 4.350 -0.000 0.000 0.280 5950 T C 0.440 175.040 174.700 -0.167 0.000 0.990 5950 T CA -0.142 61.907 62.100 -0.085 0.000 0.960 5950 T CB 1.758 70.643 68.868 0.027 0.000 0.939 5950 T HN 0.932 nan 8.240 nan 0.000 0.439 5951 G N 0.472 109.123 108.800 -0.249 0.000 3.042 5951 G HA2 0.620 4.580 3.960 -0.000 0.000 0.278 5951 G HA3 0.620 4.580 3.960 -0.000 0.000 0.278 5951 G C 0.879 175.548 174.900 -0.385 0.000 1.371 5951 G CA -0.368 44.343 45.100 -0.647 0.000 1.009 5951 G HN 0.713 nan 8.290 nan 0.000 0.523 5952 A N -1.024 121.404 122.820 -0.653 0.000 2.131 5952 A HA 0.119 4.439 4.320 -0.000 0.000 0.220 5952 A C 1.401 178.808 177.584 -0.296 0.000 1.158 5952 A CA 1.445 53.355 52.037 -0.213 0.000 0.665 5952 A CB -0.418 18.352 19.000 -0.384 0.000 0.795 5952 A HN 0.430 nan 8.150 nan 0.000 0.460 5953 F N -1.425 118.524 119.950 -0.002 0.000 2.682 5953 F HA 0.464 4.991 4.527 -0.000 0.000 0.308 5953 F C 1.235 177.050 175.800 0.025 0.000 1.093 5953 F CA 0.067 58.074 58.000 0.012 0.000 1.244 5953 F CB 0.167 39.161 39.000 -0.010 0.000 1.052 5953 F HN 0.366 nan 8.300 nan 0.000 0.573 5954 G N -0.222 108.674 108.800 0.161 0.000 2.351 5954 G HA2 0.220 4.180 3.960 -0.000 0.000 0.353 5954 G HA3 0.220 4.180 3.960 -0.000 0.000 0.353 5954 G C -1.323 173.622 174.900 0.075 0.000 1.358 5954 G CA -0.964 44.223 45.100 0.145 0.000 0.995 5954 G HN -0.062 nan 8.290 nan 0.000 0.611 5955 V N -0.923 119.036 119.914 0.074 0.000 3.214 5955 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 5955 V C 0.588 176.700 176.094 0.031 0.000 1.078 5955 V CA -0.559 61.729 62.300 -0.020 0.000 1.077 5955 V CB 1.469 33.242 31.823 -0.085 0.000 1.121 5955 V HN 1.039 nan 8.190 nan 0.000 0.468 5956 V N 1.448 121.323 119.914 -0.065 0.000 2.612 5956 V HA 0.475 4.595 4.120 -0.000 0.000 0.301 5956 V C -1.109 174.936 176.094 -0.081 0.000 1.059 5956 V CA -0.519 61.781 62.300 0.001 0.000 0.886 5956 V CB 1.688 33.445 31.823 -0.111 0.000 1.007 5956 V HN 0.984 nan 8.190 nan 0.000 0.426 5957 H N 2.064 121.111 119.070 -0.038 0.000 2.747 5957 H HA 0.602 5.158 4.556 -0.000 0.000 0.371 5957 H C -0.039 175.319 175.328 0.048 0.000 1.161 5957 H CA -0.732 55.298 56.048 -0.029 0.000 1.167 5957 H CB 1.603 31.322 29.762 -0.073 0.000 1.732 5957 H HN 0.629 nan 8.280 nan 0.000 0.544 5958 R N 2.221 122.821 120.500 0.167 0.000 2.389 5958 R HA 0.423 4.763 4.340 -0.000 0.000 0.295 5958 R C -1.030 175.343 176.300 0.121 0.000 1.075 5958 R CA -0.381 55.769 56.100 0.082 0.000 1.005 5958 R CB 0.090 30.354 30.300 -0.061 0.000 0.987 5958 R HN 0.449 nan 8.270 nan 0.000 0.452 5959 V N 0.405 120.391 119.914 0.120 0.000 3.040 5959 V HA 0.623 4.743 4.120 -0.000 0.000 0.312 5959 V C -0.457 175.786 176.094 0.248 0.000 1.115 5959 V CA -0.962 61.466 62.300 0.214 0.000 0.998 5959 V CB 1.936 33.887 31.823 0.214 0.000 1.042 5959 V HN 0.881 nan 8.190 nan 0.000 0.433 5960 T N -1.322 113.436 114.554 0.339 0.000 2.792 5960 T HA 0.556 4.906 4.350 -0.000 0.000 0.280 5960 T C -0.385 174.572 174.700 0.429 0.000 0.990 5960 T CA -0.392 61.909 62.100 0.335 0.000 0.960 5960 T CB 1.483 70.478 68.868 0.211 0.000 0.939 5960 T HN 1.014 nan 8.240 nan 0.000 0.439 5961 E N 3.048 123.511 120.200 0.438 0.000 2.383 5961 E HA 0.056 4.406 4.350 -0.000 0.000 0.257 5961 E C 1.324 177.929 176.600 0.008 0.000 1.079 5961 E CA -0.307 56.140 56.400 0.078 0.000 0.934 5961 E CB 0.423 30.271 29.700 0.247 0.000 0.978 5961 E HN 0.554 nan 8.360 nan 0.000 0.462 5962 R N 3.169 123.617 120.500 -0.086 0.000 2.196 5962 R HA -0.313 4.027 4.340 -0.000 0.000 0.227 5962 R C 2.008 178.285 176.300 -0.038 0.000 1.108 5962 R CA 1.969 58.050 56.100 -0.032 0.000 0.884 5962 R CB -0.742 29.515 30.300 -0.072 0.000 0.839 5962 R HN 0.721 nan 8.270 nan 0.000 0.431 5963 A N 0.188 122.959 122.820 -0.082 0.000 1.870 5963 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 5963 A C 2.335 179.889 177.584 -0.050 0.000 1.224 5963 A CA 2.785 54.781 52.037 -0.068 0.000 0.650 5963 A CB -1.312 17.639 19.000 -0.083 0.000 0.836 5963 A HN 0.547 nan 8.150 nan 0.000 0.454 5964 T N -1.299 113.229 114.554 -0.044 0.000 2.857 5964 T HA 0.302 4.652 4.350 -0.000 0.000 0.266 5964 T C 1.390 176.079 174.700 -0.018 0.000 1.048 5964 T CA 1.657 63.726 62.100 -0.052 0.000 1.139 5964 T CB -0.491 68.347 68.868 -0.050 0.000 0.874 5964 T HN 1.811 nan 8.240 nan 0.000 0.455 5965 G N 2.178 110.996 108.800 0.031 0.000 2.248 5965 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.263 5965 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.263 5965 G C -0.331 174.613 174.900 0.073 0.000 1.082 5965 G CA -0.421 44.714 45.100 0.057 0.000 0.863 5965 G HN 0.422 nan 8.290 nan 0.000 0.495 5966 N N -0.245 118.535 118.700 0.133 0.000 2.384 5966 N HA 0.504 5.244 4.740 -0.000 0.000 0.301 5966 N C -0.075 175.536 175.510 0.168 0.000 1.133 5966 N CA -0.716 52.414 53.050 0.132 0.000 0.853 5966 N CB 0.920 39.465 38.487 0.097 0.000 1.241 5966 N HN 0.382 nan 8.380 nan 0.000 0.502 5967 N N 0.339 119.048 118.700 0.016 0.000 2.479 5967 N HA 0.495 5.235 4.740 -0.000 0.000 0.285 5967 N C -1.031 174.270 175.510 -0.350 0.000 1.075 5967 N CA -0.022 52.927 53.050 -0.169 0.000 0.967 5967 N CB 1.006 39.237 38.487 -0.427 0.000 1.137 5967 N HN 0.339 nan 8.380 nan 0.000 0.472 5968 F N 0.052 120.035 119.950 0.054 0.000 2.726 5968 F HA 0.727 5.254 4.527 -0.000 0.000 0.324 5968 F C -0.481 175.494 175.800 0.291 0.000 1.140 5968 F CA -1.145 56.986 58.000 0.219 0.000 0.964 5968 F CB 1.268 40.411 39.000 0.237 0.000 1.399 5968 F HN 0.331 nan 8.300 nan 0.000 0.491 5969 A N 0.711 123.849 122.820 0.531 0.000 2.318 5969 A HA 0.849 5.169 4.320 -0.000 0.000 0.317 5969 A C -1.276 176.441 177.584 0.222 0.000 1.159 5969 A CA -0.513 51.703 52.037 0.300 0.000 0.799 5969 A CB 0.649 19.719 19.000 0.116 0.000 1.194 5969 A HN 0.939 nan 8.150 nan 0.000 0.479 5970 A N 2.666 125.599 122.820 0.189 0.000 2.287 5970 A HA 0.635 4.955 4.320 -0.000 0.000 0.317 5970 A C -0.146 177.612 177.584 0.290 0.000 1.220 5970 A CA -0.574 51.580 52.037 0.196 0.000 0.835 5970 A CB 0.503 19.637 19.000 0.222 0.000 1.180 5970 A HN 0.754 nan 8.150 nan 0.000 0.500 5971 K N 3.113 123.632 120.400 0.198 0.000 2.281 5971 K HA 0.452 4.772 4.320 -0.000 0.000 0.272 5971 K C -1.560 175.182 176.600 0.236 0.000 1.048 5971 K CA -0.377 56.023 56.287 0.190 0.000 0.898 5971 K CB 0.259 32.804 32.500 0.075 0.000 1.128 5971 K HN 0.495 nan 8.250 nan 0.000 0.460 5972 F N 4.476 124.444 119.950 0.030 0.000 2.423 5972 F HA 0.146 4.673 4.527 -0.000 0.000 0.356 5972 F C 0.138 175.964 175.800 0.044 0.000 1.170 5972 F CA -0.594 57.426 58.000 0.033 0.000 1.163 5972 F CB 0.596 39.620 39.000 0.041 0.000 1.318 5972 F HN 0.095 nan 8.300 nan 0.000 0.569 5973 V N 5.185 125.173 119.914 0.123 0.000 2.583 5973 V HA 0.211 4.331 4.120 -0.000 0.000 0.287 5973 V C 0.540 176.687 176.094 0.089 0.000 1.051 5973 V CA -0.674 61.683 62.300 0.095 0.000 1.010 5973 V CB 1.039 32.868 31.823 0.011 0.000 0.988 5973 V HN 0.538 nan 8.190 nan 0.000 0.478 5974 M N 4.763 124.429 119.600 0.110 0.000 2.216 5974 M HA 0.467 4.947 4.480 -0.000 0.000 0.356 5974 M C -0.232 176.081 176.300 0.021 0.000 1.205 5974 M CA -0.089 55.259 55.300 0.080 0.000 1.122 5974 M CB 1.289 33.950 32.600 0.101 0.000 1.571 5974 M HN 0.762 nan 8.290 nan 0.000 0.464 5975 T N 0.406 114.951 114.554 -0.016 0.000 3.187 5975 T HA 0.358 4.708 4.350 -0.000 0.000 0.328 5975 T C -2.816 171.823 174.700 -0.101 0.000 0.951 5975 T CA -1.253 60.807 62.100 -0.067 0.000 1.049 5975 T CB 1.568 70.406 68.868 -0.050 0.000 1.015 5975 T HN 0.258 nan 8.240 nan 0.000 0.461 5976 P HA 0.022 nan 4.420 nan 0.000 0.209 5976 P C 0.287 177.436 177.300 -0.251 0.000 1.203 5976 P CA 0.917 63.821 63.100 -0.326 0.000 0.916 5976 P CB 0.106 31.400 31.700 -0.675 0.000 0.763 5977 H N -0.717 118.329 119.070 -0.040 0.000 2.505 5977 H HA 0.111 4.667 4.556 -0.000 0.000 0.351 5977 H C 1.333 176.637 175.328 -0.041 0.000 1.151 5977 H CA -0.391 55.634 56.048 -0.038 0.000 1.339 5977 H CB 0.343 30.077 29.762 -0.048 0.000 1.483 5977 H HN 0.071 nan 8.280 nan 0.000 0.558 5978 E N 1.774 122.036 120.200 0.102 0.000 2.086 5978 E HA -0.199 4.151 4.350 -0.000 0.000 0.200 5978 E C 1.761 178.380 176.600 0.031 0.000 1.012 5978 E CA 1.745 58.174 56.400 0.048 0.000 0.812 5978 E CB -0.043 29.683 29.700 0.042 0.000 0.743 5978 E HN 0.694 nan 8.360 nan 0.000 0.453 5979 S N 1.319 117.047 115.700 0.046 0.000 2.421 5979 S HA -0.238 4.232 4.470 -0.000 0.000 0.239 5979 S C 1.464 176.041 174.600 -0.040 0.000 1.054 5979 S CA 1.770 59.982 58.200 0.020 0.000 1.035 5979 S CB -0.386 62.825 63.200 0.018 0.000 0.840 5979 S HN 0.291 nan 8.310 nan 0.000 0.475 5980 D N 1.595 121.937 120.400 -0.096 0.000 2.106 5980 D HA 0.022 4.662 4.640 -0.000 0.000 0.203 5980 D C 1.993 178.265 176.300 -0.046 0.000 0.977 5980 D CA 0.983 54.901 54.000 -0.138 0.000 0.844 5980 D CB -0.360 40.335 40.800 -0.176 0.000 1.002 5980 D HN 0.399 nan 8.370 nan 0.000 0.461 5981 K N 1.046 121.424 120.400 -0.035 0.000 2.077 5981 K HA -0.217 4.103 4.320 -0.000 0.000 0.213 5981 K C 2.083 178.678 176.600 -0.008 0.000 1.051 5981 K CA 1.252 57.527 56.287 -0.021 0.000 0.929 5981 K CB -0.130 32.365 32.500 -0.008 0.000 0.715 5981 K HN 0.235 nan 8.250 nan 0.000 0.451 5982 E N -0.041 120.164 120.200 0.008 0.000 2.035 5982 E HA -0.236 4.114 4.350 -0.000 0.000 0.204 5982 E C 2.156 178.770 176.600 0.023 0.000 1.025 5982 E CA 2.332 58.744 56.400 0.019 0.000 0.835 5982 E CB -0.270 29.451 29.700 0.035 0.000 0.764 5982 E HN 0.526 nan 8.360 nan 0.000 0.457 5983 T N -1.071 113.515 114.554 0.054 0.000 2.929 5983 T HA -0.100 4.250 4.350 -0.000 0.000 0.271 5983 T C 1.959 176.662 174.700 0.005 0.000 1.085 5983 T CA 0.939 63.066 62.100 0.046 0.000 1.125 5983 T CB -0.315 68.611 68.868 0.098 0.000 0.874 5983 T HN -0.055 nan 8.240 nan 0.000 0.494 5984 V N 1.741 121.649 119.914 -0.009 0.000 2.323 5984 V HA -0.113 4.007 4.120 -0.000 0.000 0.244 5984 V C 2.962 179.033 176.094 -0.038 0.000 1.041 5984 V CA 1.625 63.903 62.300 -0.037 0.000 1.025 5984 V CB -0.548 31.248 31.823 -0.046 0.000 0.656 5984 V HN 0.458 nan 8.190 nan 0.000 0.451 5985 R N 0.063 120.544 120.500 -0.032 0.000 2.096 5985 R HA -0.239 4.101 4.340 -0.000 0.000 0.240 5985 R C 2.382 178.663 176.300 -0.032 0.000 1.139 5985 R CA 1.874 57.950 56.100 -0.039 0.000 0.952 5985 R CB -0.457 29.826 30.300 -0.028 0.000 0.854 5985 R HN 0.482 nan 8.270 nan 0.000 0.436 5986 K N 0.709 121.101 120.400 -0.013 0.000 1.987 5986 K HA -0.253 4.067 4.320 -0.000 0.000 0.216 5986 K C 2.118 178.712 176.600 -0.010 0.000 1.051 5986 K CA 1.831 58.119 56.287 0.002 0.000 0.942 5986 K CB -0.256 32.253 32.500 0.016 0.000 0.722 5986 K HN 0.236 nan 8.250 nan 0.000 0.444 5987 E N 0.680 120.869 120.200 -0.019 0.000 2.136 5987 E HA -0.269 4.081 4.350 -0.000 0.000 0.208 5987 E C 1.907 178.470 176.600 -0.061 0.000 1.035 5987 E CA 1.861 58.245 56.400 -0.028 0.000 0.838 5987 E CB -0.114 29.569 29.700 -0.028 0.000 0.748 5987 E HN 0.272 nan 8.360 nan 0.000 0.459 5988 I N 0.286 120.813 120.570 -0.072 0.000 2.086 5988 I HA -0.293 3.877 4.170 -0.000 0.000 0.233 5988 I C 2.903 178.958 176.117 -0.103 0.000 1.060 5988 I CA 1.367 62.604 61.300 -0.105 0.000 1.326 5988 I CB -0.784 37.150 38.000 -0.110 0.000 1.067 5988 I HN 0.225 nan 8.210 nan 0.000 0.398 5989 Q N 0.786 120.543 119.800 -0.072 0.000 2.182 5989 Q HA -0.303 4.037 4.340 -0.000 0.000 0.213 5989 Q C 2.092 178.056 176.000 -0.059 0.000 1.000 5989 Q CA 3.093 58.865 55.803 -0.051 0.000 0.889 5989 Q CB -0.297 28.433 28.738 -0.013 0.000 0.932 5989 Q HN 0.523 nan 8.270 nan 0.000 0.415 5990 T N 1.012 115.528 114.554 -0.062 0.000 2.614 5990 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 5990 T C 1.914 176.460 174.700 -0.256 0.000 1.055 5990 T CA 1.791 63.810 62.100 -0.135 0.000 1.162 5990 T CB -0.295 68.514 68.868 -0.097 0.000 0.863 5990 T HN 0.350 nan 8.240 nan 0.000 0.414 5991 M N 1.221 120.675 119.600 -0.244 0.000 2.143 5991 M HA -0.188 4.292 4.480 -0.000 0.000 0.258 5991 M C 2.602 178.766 176.300 -0.226 0.000 1.071 5991 M CA 1.486 56.609 55.300 -0.295 0.000 1.088 5991 M CB -0.678 31.783 32.600 -0.231 0.000 1.360 5991 M HN 0.307 nan 8.290 nan 0.000 0.404 5992 S N 0.623 116.222 115.700 -0.168 0.000 2.482 5992 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 5992 S C 1.775 176.323 174.600 -0.087 0.000 1.048 5992 S CA 2.159 60.286 58.200 -0.121 0.000 1.158 5992 S CB -0.609 62.529 63.200 -0.103 0.000 1.130 5992 S HN 0.286 nan 8.310 nan 0.000 0.413 5993 V N 2.468 122.336 119.914 -0.076 0.000 2.357 5993 V HA -0.226 3.894 4.120 -0.000 0.000 0.257 5993 V C 2.329 178.397 176.094 -0.044 0.000 1.082 5993 V CA 2.115 64.394 62.300 -0.035 0.000 1.078 5993 V CB -0.948 30.865 31.823 -0.018 0.000 0.663 5993 V HN 0.570 nan 8.190 nan 0.000 0.455 5994 L N -0.130 120.999 121.223 -0.158 0.000 2.675 5994 L HA 0.008 4.348 4.340 -0.000 0.000 0.238 5994 L C 1.055 177.970 176.870 0.076 0.000 1.155 5994 L CA 0.054 54.799 54.840 -0.160 0.000 0.881 5994 L CB -0.584 41.207 42.059 -0.447 0.000 1.008 5994 L HN 0.407 nan 8.230 nan 0.000 0.443 5995 R N 0.256 120.840 120.500 0.141 0.000 2.474 5995 R HA 0.005 4.345 4.340 -0.000 0.000 0.290 5995 R C -0.408 176.101 176.300 0.348 0.000 0.918 5995 R CA 0.607 56.899 56.100 0.320 0.000 1.130 5995 R CB -0.170 30.354 30.300 0.374 0.000 0.881 5995 R HN 0.167 nan 8.270 nan 0.000 0.416 5996 H N 1.540 120.741 119.070 0.220 0.000 3.057 5996 H HA 0.132 4.688 4.556 -0.000 0.000 0.308 5996 H C -2.401 172.877 175.328 -0.083 0.000 1.276 5996 H CA -1.314 54.590 56.048 -0.240 0.000 1.325 5996 H CB 1.964 31.541 29.762 -0.307 0.000 1.963 5996 H HN 0.262 nan 8.280 nan 0.000 0.524 5997 P HA -0.033 nan 4.420 nan 0.000 0.239 5997 P C 0.709 178.085 177.300 0.127 0.000 1.184 5997 P CA 1.485 64.436 63.100 -0.248 0.000 0.760 5997 P CB 0.196 31.476 31.700 -0.700 0.000 0.884 5998 T N -4.683 110.060 114.554 0.314 0.000 3.037 5998 T HA 0.200 4.550 4.350 -0.000 0.000 0.251 5998 T C 0.542 175.387 174.700 0.243 0.000 1.079 5998 T CA 0.120 62.363 62.100 0.238 0.000 1.067 5998 T CB -0.200 68.778 68.868 0.183 0.000 0.948 5998 T HN -0.050 nan 8.240 nan 0.000 0.496 5999 L N 1.962 123.369 121.223 0.307 0.000 2.334 5999 L HA 0.583 4.923 4.340 -0.000 0.000 0.276 5999 L C -0.222 176.854 176.870 0.343 0.000 1.014 5999 L CA -1.642 53.415 54.840 0.362 0.000 0.815 5999 L CB 2.091 44.295 42.059 0.243 0.000 1.268 5999 L HN -0.135 nan 8.230 nan 0.000 0.428 6000 V N 2.145 122.275 119.914 0.361 0.000 2.509 6000 V HA -0.116 4.004 4.120 -0.000 0.000 0.297 6000 V C 0.716 176.928 176.094 0.197 0.000 1.014 6000 V CA 0.136 62.602 62.300 0.275 0.000 1.127 6000 V CB 0.095 32.115 31.823 0.327 0.000 0.925 6000 V HN 0.830 nan 8.190 nan 0.000 0.480 6001 N N 4.182 122.970 118.700 0.147 0.000 2.497 6001 N HA 0.199 4.939 4.740 -0.000 0.000 0.271 6001 N C -0.784 174.722 175.510 -0.006 0.000 1.142 6001 N CA -0.841 52.234 53.050 0.042 0.000 0.965 6001 N CB 1.116 39.531 38.487 -0.120 0.000 1.077 6001 N HN 0.529 nan 8.380 nan 0.000 0.462 6002 L N 4.299 125.466 121.223 -0.094 0.000 2.255 6002 L HA 0.185 4.525 4.340 -0.000 0.000 0.289 6002 L C 0.978 177.800 176.870 -0.081 0.000 1.046 6002 L CA -0.104 54.639 54.840 -0.161 0.000 0.816 6002 L CB 0.587 42.487 42.059 -0.265 0.000 1.197 6002 L HN 0.685 nan 8.230 nan 0.000 0.427 6003 H N 2.817 121.823 119.070 -0.107 0.000 2.415 6003 H HA 0.255 4.811 4.556 -0.000 0.000 0.297 6003 H C -0.197 175.021 175.328 -0.183 0.000 1.048 6003 H CA 1.173 57.142 56.048 -0.131 0.000 1.365 6003 H CB 0.529 30.226 29.762 -0.108 0.000 1.421 6003 H HN 0.678 nan 8.280 nan 0.000 0.533 6004 D N -1.528 118.642 120.400 -0.384 0.000 2.639 6004 D HA 0.602 5.242 4.640 -0.000 0.000 0.271 6004 D C -1.480 174.625 176.300 -0.324 0.000 1.254 6004 D CA 0.090 53.815 54.000 -0.459 0.000 0.810 6004 D CB 2.011 42.521 40.800 -0.484 0.000 1.351 6004 D HN 0.336 nan 8.370 nan 0.000 0.427 6005 A N 0.355 122.910 122.820 -0.442 0.000 2.606 6005 A HA 0.787 5.107 4.320 -0.000 0.000 0.293 6005 A C -1.874 175.441 177.584 -0.448 0.000 1.082 6005 A CA -0.528 51.351 52.037 -0.264 0.000 0.685 6005 A CB 1.125 19.994 19.000 -0.218 0.000 1.284 6005 A HN 0.287 nan 8.150 nan 0.000 0.408 6006 F N -0.310 119.493 119.950 -0.244 0.000 2.643 6006 F HA 0.688 5.215 4.527 -0.000 0.000 0.314 6006 F C 0.059 175.755 175.800 -0.173 0.000 1.096 6006 F CA -0.493 57.379 58.000 -0.213 0.000 0.953 6006 F CB 1.998 40.883 39.000 -0.192 0.000 1.345 6006 F HN 0.730 nan 8.300 nan 0.000 0.468 6007 E N 0.566 120.821 120.200 0.091 0.000 2.244 6007 E HA 0.535 4.885 4.350 -0.000 0.000 0.266 6007 E C -2.061 174.596 176.600 0.095 0.000 0.914 6007 E CA -0.563 55.866 56.400 0.048 0.000 0.794 6007 E CB 2.445 32.157 29.700 0.019 0.000 1.210 6007 E HN 0.648 nan 8.360 nan 0.000 0.414 6008 D N 1.188 121.628 120.400 0.066 0.000 2.736 6008 D HA 0.185 4.825 4.640 -0.000 0.000 0.223 6008 D C -1.770 174.558 176.300 0.046 0.000 1.231 6008 D CA -0.536 53.507 54.000 0.071 0.000 0.818 6008 D CB 1.538 42.387 40.800 0.081 0.000 1.587 6008 D HN 0.312 nan 8.370 nan 0.000 0.463 6009 D N 2.904 123.326 120.400 0.037 0.000 2.433 6009 D HA 0.131 4.771 4.640 -0.000 0.000 0.274 6009 D C -0.119 176.195 176.300 0.023 0.000 1.344 6009 D CA 0.666 54.682 54.000 0.028 0.000 0.989 6009 D CB -0.151 40.661 40.800 0.020 0.000 1.116 6009 D HN 0.310 nan 8.370 nan 0.000 0.533 6010 N N 2.207 120.917 118.700 0.016 0.000 2.862 6010 N HA -0.172 4.568 4.740 -0.000 0.000 0.246 6010 N C -0.561 174.960 175.510 0.019 0.000 1.101 6010 N CA 0.776 53.829 53.050 0.006 0.000 0.679 6010 N CB -0.845 37.645 38.487 0.005 0.000 0.986 6010 N HN 0.636 nan 8.380 nan 0.000 0.557 6011 E N -0.839 119.373 120.200 0.020 0.000 2.398 6011 E HA 0.397 4.747 4.350 -0.000 0.000 0.280 6011 E C -1.269 175.330 176.600 -0.002 0.000 1.122 6011 E CA -0.597 55.821 56.400 0.030 0.000 0.873 6011 E CB 1.237 30.977 29.700 0.066 0.000 1.294 6011 E HN -0.001 nan 8.360 nan 0.000 0.435 6012 M N 1.848 121.431 119.600 -0.029 0.000 2.322 6012 M HA 0.316 4.796 4.480 -0.000 0.000 0.285 6012 M C -1.546 174.676 176.300 -0.130 0.000 1.119 6012 M CA -0.635 54.629 55.300 -0.061 0.000 0.953 6012 M CB 1.847 34.421 32.600 -0.042 0.000 1.701 6012 M HN 0.267 nan 8.290 nan 0.000 0.479 6013 V N 4.510 124.317 119.914 -0.178 0.000 2.409 6013 V HA 0.555 4.675 4.120 -0.000 0.000 0.291 6013 V C -0.239 175.783 176.094 -0.120 0.000 1.020 6013 V CA -0.402 61.725 62.300 -0.288 0.000 0.848 6013 V CB 1.959 33.414 31.823 -0.614 0.000 0.990 6013 V HN 0.855 nan 8.190 nan 0.000 0.430 6014 M N 5.807 125.382 119.600 -0.043 0.000 2.149 6014 M HA 0.549 5.029 4.480 -0.000 0.000 0.342 6014 M C -0.713 175.661 176.300 0.124 0.000 1.068 6014 M CA -0.247 55.075 55.300 0.037 0.000 0.991 6014 M CB 1.569 34.267 32.600 0.164 0.000 1.596 6014 M HN 0.476 nan 8.290 nan 0.000 0.439 6015 I N 4.554 125.136 120.570 0.020 0.000 2.316 6015 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 6015 I C -0.734 175.478 176.117 0.158 0.000 1.107 6015 I CA -0.566 60.761 61.300 0.044 0.000 1.219 6015 I CB -0.186 37.702 38.000 -0.186 0.000 1.455 6015 I HN 0.500 nan 8.210 nan 0.000 0.498 6016 Y N 3.457 123.803 120.300 0.076 0.000 2.511 6016 Y HA -0.008 4.542 4.550 -0.000 0.000 0.347 6016 Y C 1.226 177.271 175.900 0.242 0.000 1.257 6016 Y CA -0.030 58.144 58.100 0.122 0.000 1.469 6016 Y CB 0.351 38.850 38.460 0.065 0.000 1.353 6016 Y HN 0.486 nan 8.280 nan 0.000 0.617 6017 E N 1.605 122.015 120.200 0.350 0.000 2.418 6017 E HA 0.018 4.368 4.350 -0.000 0.000 0.261 6017 E C -1.157 175.563 176.600 0.200 0.000 1.070 6017 E CA -0.360 56.192 56.400 0.254 0.000 0.931 6017 E CB 0.406 30.182 29.700 0.127 0.000 0.954 6017 E HN 0.482 nan 8.360 nan 0.000 0.439 6018 F N 3.512 123.408 119.950 -0.092 0.000 2.399 6018 F HA 0.326 4.853 4.527 -0.000 0.000 0.342 6018 F C -0.046 175.683 175.800 -0.119 0.000 1.106 6018 F CA -0.019 57.902 58.000 -0.131 0.000 1.196 6018 F CB 0.736 39.586 39.000 -0.250 0.000 1.163 6018 F HN 0.365 nan 8.300 nan 0.000 0.547 6019 M N 5.264 124.434 119.600 -0.716 0.000 2.182 6019 M HA 0.104 4.584 4.480 -0.000 0.000 0.266 6019 M C 0.261 176.323 176.300 -0.396 0.000 0.989 6019 M CA -0.326 54.753 55.300 -0.369 0.000 1.003 6019 M CB 2.203 34.678 32.600 -0.207 0.000 1.812 6019 M HN 0.709 nan 8.290 nan 0.000 0.472 6020 S N 0.730 116.365 115.700 -0.108 0.000 2.501 6020 S HA 0.139 4.609 4.470 -0.000 0.000 0.220 6020 S C 0.889 175.508 174.600 0.031 0.000 0.997 6020 S CA 0.271 58.474 58.200 0.005 0.000 0.919 6020 S CB 0.002 63.338 63.200 0.227 0.000 0.778 6020 S HN 0.811 nan 8.310 nan 0.000 0.523 6021 G N 0.507 109.336 108.800 0.048 0.000 2.684 6021 G HA2 0.500 4.460 3.960 -0.000 0.000 0.255 6021 G HA3 0.500 4.460 3.960 -0.000 0.000 0.255 6021 G C 0.251 175.187 174.900 0.061 0.000 1.219 6021 G CA -0.213 44.940 45.100 0.089 0.000 0.901 6021 G HN 0.580 nan 8.290 nan 0.000 0.548 6022 G N -1.389 107.461 108.800 0.083 0.000 2.552 6022 G HA2 0.537 4.497 3.960 -0.000 0.000 0.318 6022 G HA3 0.537 4.497 3.960 -0.000 0.000 0.318 6022 G C -0.369 174.586 174.900 0.091 0.000 1.240 6022 G CA -0.666 44.471 45.100 0.062 0.000 1.002 6022 G HN 0.617 nan 8.290 nan 0.000 0.493 6023 E N -0.277 119.962 120.200 0.064 0.000 2.413 6023 E HA 0.044 4.394 4.350 -0.000 0.000 0.263 6023 E C 1.263 177.905 176.600 0.069 0.000 1.015 6023 E CA -0.508 55.927 56.400 0.059 0.000 0.916 6023 E CB 1.319 31.069 29.700 0.084 0.000 0.947 6023 E HN 0.366 nan 8.360 nan 0.000 0.440 6024 L N 3.417 124.629 121.223 -0.018 0.000 2.179 6024 L HA -0.360 3.980 4.340 -0.000 0.000 0.246 6024 L C 1.567 178.327 176.870 -0.184 0.000 1.120 6024 L CA 2.097 56.836 54.840 -0.169 0.000 0.846 6024 L CB -0.718 41.092 42.059 -0.415 0.000 0.958 6024 L HN 0.688 nan 8.230 nan 0.000 0.444 6025 F N -0.178 119.745 119.950 -0.046 0.000 2.075 6025 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 6025 F C 2.654 178.441 175.800 -0.022 0.000 1.113 6025 F CA 1.870 59.821 58.000 -0.082 0.000 1.218 6025 F CB -0.904 38.047 39.000 -0.081 0.000 0.984 6025 F HN 0.386 nan 8.300 nan 0.000 0.472 6026 E N 0.476 120.807 120.200 0.219 0.000 2.208 6026 E HA -0.318 4.032 4.350 -0.000 0.000 0.202 6026 E C 2.315 178.969 176.600 0.090 0.000 1.014 6026 E CA 1.599 58.083 56.400 0.140 0.000 0.819 6026 E CB -0.069 29.700 29.700 0.115 0.000 0.735 6026 E HN 0.228 nan 8.360 nan 0.000 0.469 6027 K N 0.598 121.028 120.400 0.050 0.000 2.029 6027 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 6027 K C 2.305 178.886 176.600 -0.031 0.000 1.042 6027 K CA 1.293 57.563 56.287 -0.028 0.000 0.949 6027 K CB -0.493 31.927 32.500 -0.132 0.000 0.740 6027 K HN 0.210 nan 8.250 nan 0.000 0.442 6028 V N 0.259 120.149 119.914 -0.040 0.000 2.439 6028 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 6028 V C 2.175 178.357 176.094 0.148 0.000 1.074 6028 V CA 2.160 64.484 62.300 0.041 0.000 1.076 6028 V CB -1.343 30.497 31.823 0.029 0.000 0.664 6028 V HN 0.302 nan 8.190 nan 0.000 0.461 6029 A N -0.250 122.665 122.820 0.158 0.000 2.255 6029 A HA 0.022 4.342 4.320 -0.000 0.000 0.206 6029 A C 0.832 178.479 177.584 0.106 0.000 1.193 6029 A CA 0.643 52.789 52.037 0.182 0.000 0.794 6029 A CB -1.057 18.054 19.000 0.184 0.000 0.794 6029 A HN 0.610 nan 8.150 nan 0.000 0.481 6030 D N 1.400 121.846 120.400 0.077 0.000 2.402 6030 D HA 0.066 4.706 4.640 -0.000 0.000 0.268 6030 D C 1.075 177.393 176.300 0.031 0.000 1.294 6030 D CA 0.260 54.297 54.000 0.061 0.000 0.945 6030 D CB 0.448 41.281 40.800 0.055 0.000 1.112 6030 D HN 0.478 nan 8.370 nan 0.000 0.517 6031 E N 1.703 121.877 120.200 -0.043 0.000 2.409 6031 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 6031 E C 0.480 176.935 176.600 -0.242 0.000 1.024 6031 E CA 0.800 57.106 56.400 -0.158 0.000 0.861 6031 E CB -0.007 29.541 29.700 -0.253 0.000 0.788 6031 E HN 0.667 nan 8.360 nan 0.000 0.521 6032 H N -0.519 118.566 119.070 0.025 0.000 2.586 6032 H HA 0.199 4.755 4.556 -0.000 0.000 0.273 6032 H C -0.009 175.326 175.328 0.013 0.000 0.997 6032 H CA -0.301 55.757 56.048 0.017 0.000 1.177 6032 H CB 0.421 30.191 29.762 0.013 0.000 1.471 6032 H HN -0.066 nan 8.280 nan 0.000 0.538 6033 N N 0.585 119.339 118.700 0.090 0.000 2.262 6033 N HA 0.145 4.885 4.740 -0.000 0.000 0.295 6033 N C -1.479 174.060 175.510 0.049 0.000 1.161 6033 N CA -0.883 52.202 53.050 0.058 0.000 0.767 6033 N CB 1.212 39.720 38.487 0.035 0.000 1.499 6033 N HN -0.178 nan 8.380 nan 0.000 0.476 6034 K N 2.127 122.552 120.400 0.043 0.000 2.234 6034 K HA 0.315 4.635 4.320 -0.000 0.000 0.277 6034 K C -0.432 176.206 176.600 0.063 0.000 1.038 6034 K CA -0.214 56.100 56.287 0.044 0.000 0.888 6034 K CB 0.944 33.461 32.500 0.028 0.000 1.091 6034 K HN 0.599 nan 8.250 nan 0.000 0.467 6035 M N 1.929 121.580 119.600 0.086 0.000 2.404 6035 M HA 0.248 4.728 4.480 -0.000 0.000 0.338 6035 M C -0.320 176.032 176.300 0.087 0.000 1.150 6035 M CA -0.223 55.156 55.300 0.130 0.000 1.016 6035 M CB 1.702 34.439 32.600 0.229 0.000 1.672 6035 M HN 0.769 nan 8.290 nan 0.000 0.448 6036 S N 1.383 117.125 115.700 0.069 0.000 2.661 6036 S HA 0.343 4.813 4.470 -0.000 0.000 0.285 6036 S C 0.443 175.049 174.600 0.011 0.000 1.138 6036 S CA -0.834 57.378 58.200 0.020 0.000 0.855 6036 S CB 1.833 65.020 63.200 -0.021 0.000 1.136 6036 S HN 0.824 nan 8.310 nan 0.000 0.484 6037 E N 0.990 121.181 120.200 -0.015 0.000 2.070 6037 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 6037 E C 0.840 177.354 176.600 -0.143 0.000 1.004 6037 E CA 2.290 58.675 56.400 -0.025 0.000 0.805 6037 E CB -0.536 29.136 29.700 -0.047 0.000 0.744 6037 E HN 0.773 nan 8.360 nan 0.000 0.451 6038 D N 0.358 120.642 120.400 -0.193 0.000 2.149 6038 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 6038 D C 1.889 178.003 176.300 -0.310 0.000 1.001 6038 D CA 1.549 55.385 54.000 -0.273 0.000 0.849 6038 D CB -0.076 40.605 40.800 -0.199 0.000 0.939 6038 D HN 0.209 nan 8.370 nan 0.000 0.449 6039 E N 0.626 120.676 120.200 -0.249 0.000 2.033 6039 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 6039 E C 2.241 178.325 176.600 -0.859 0.000 1.011 6039 E CA 1.262 57.392 56.400 -0.450 0.000 0.815 6039 E CB -0.849 28.810 29.700 -0.068 0.000 0.755 6039 E HN 0.317 nan 8.360 nan 0.000 0.451 6040 A N 1.219 123.891 122.820 -0.247 0.000 1.881 6040 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 6040 A C 2.686 180.229 177.584 -0.068 0.000 1.215 6040 A CA 2.580 54.641 52.037 0.040 0.000 0.648 6040 A CB -1.134 18.028 19.000 0.271 0.000 0.832 6040 A HN 0.151 nan 8.150 nan 0.000 0.455 6041 V N 0.341 120.142 119.914 -0.189 0.000 2.220 6041 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 6041 V C 2.498 178.473 176.094 -0.198 0.000 1.056 6041 V CA 2.361 64.515 62.300 -0.243 0.000 1.016 6041 V CB -1.006 30.466 31.823 -0.586 0.000 0.639 6041 V HN 0.592 nan 8.190 nan 0.000 0.446 6042 E N -0.614 119.361 120.200 -0.375 0.000 2.253 6042 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 6042 E C 1.951 178.475 176.600 -0.128 0.000 1.014 6042 E CA 1.815 58.038 56.400 -0.295 0.000 0.823 6042 E CB -0.370 29.108 29.700 -0.370 0.000 0.736 6042 E HN 0.793 nan 8.360 nan 0.000 0.478 6043 Y N -0.307 120.038 120.300 0.076 0.000 2.197 6043 Y HA 0.029 4.579 4.550 -0.000 0.000 0.281 6043 Y C 2.357 178.277 175.900 0.032 0.000 1.099 6043 Y CA 0.269 58.395 58.100 0.043 0.000 1.092 6043 Y CB -1.133 37.351 38.460 0.039 0.000 1.028 6043 Y HN -0.097 nan 8.280 nan 0.000 0.489 6044 M N 0.645 120.385 119.600 0.232 0.000 2.252 6044 M HA -0.277 4.203 4.480 -0.000 0.000 0.255 6044 M C 2.070 178.464 176.300 0.156 0.000 1.085 6044 M CA 1.389 56.797 55.300 0.180 0.000 1.059 6044 M CB -1.351 31.378 32.600 0.215 0.000 1.375 6044 M HN 0.307 nan 8.290 nan 0.000 0.409 6045 R N 0.240 120.820 120.500 0.133 0.000 2.092 6045 R HA -0.182 4.158 4.340 -0.000 0.000 0.226 6045 R C 2.267 178.621 176.300 0.091 0.000 1.140 6045 R CA 2.077 58.240 56.100 0.105 0.000 0.910 6045 R CB -0.259 30.072 30.300 0.052 0.000 0.822 6045 R HN 0.490 nan 8.270 nan 0.000 0.433 6046 Q N -0.229 119.620 119.800 0.082 0.000 2.096 6046 Q HA -0.222 4.118 4.340 -0.000 0.000 0.208 6046 Q C 2.194 178.224 176.000 0.049 0.000 0.993 6046 Q CA 2.149 57.990 55.803 0.063 0.000 0.862 6046 Q CB -0.456 28.315 28.738 0.055 0.000 0.915 6046 Q HN 0.225 nan 8.270 nan 0.000 0.416 6047 V N 0.880 120.823 119.914 0.049 0.000 2.250 6047 V HA -0.411 3.709 4.120 -0.000 0.000 0.253 6047 V C 2.456 178.574 176.094 0.040 0.000 1.065 6047 V CA 2.180 64.503 62.300 0.039 0.000 1.039 6047 V CB -0.714 31.142 31.823 0.054 0.000 0.647 6047 V HN 0.576 nan 8.190 nan 0.000 0.446 6048 C N -0.758 118.571 119.300 0.048 0.000 2.476 6048 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 6048 C C 2.632 177.619 174.990 -0.005 0.000 1.274 6048 C CA 0.691 59.718 59.018 0.015 0.000 1.713 6048 C CB -1.047 26.725 27.740 0.053 0.000 2.039 6048 C HN 0.545 nan 8.230 nan 0.000 0.484 6049 K N 0.812 121.228 120.400 0.026 0.000 2.189 6049 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 6049 K C 2.063 178.638 176.600 -0.041 0.000 1.046 6049 K CA 1.772 58.069 56.287 0.018 0.000 0.928 6049 K CB -0.470 32.059 32.500 0.049 0.000 0.720 6049 K HN 0.679 nan 8.250 nan 0.000 0.458 6050 G N 1.109 109.896 108.800 -0.022 0.000 2.404 6050 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 6050 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 6050 G C 1.473 176.366 174.900 -0.011 0.000 1.189 6050 G CA 0.316 45.397 45.100 -0.031 0.000 0.789 6050 G HN 0.065 nan 8.290 nan 0.000 0.533 6051 L N 0.260 121.471 121.223 -0.020 0.000 1.971 6051 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 6051 L C 3.046 179.827 176.870 -0.149 0.000 1.072 6051 L CA 1.512 56.297 54.840 -0.091 0.000 0.758 6051 L CB -0.806 41.109 42.059 -0.240 0.000 0.889 6051 L HN 0.427 nan 8.230 nan 0.000 0.433 6052 C N -0.372 118.821 119.300 -0.179 0.000 2.347 6052 C HA -0.365 4.095 4.460 -0.000 0.000 0.270 6052 C C 2.875 177.862 174.990 -0.006 0.000 1.145 6052 C CA 2.051 60.972 59.018 -0.162 0.000 1.802 6052 C CB -0.973 26.734 27.740 -0.055 0.000 2.084 6052 C HN 0.703 nan 8.230 nan 0.000 0.446 6053 H N 0.163 119.150 119.070 -0.138 0.000 2.290 6053 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 6053 H C 2.267 177.578 175.328 -0.029 0.000 1.087 6053 H CA 2.774 58.732 56.048 -0.150 0.000 1.291 6053 H CB -0.627 28.865 29.762 -0.450 0.000 1.369 6053 H HN 0.525 nan 8.280 nan 0.000 0.492 6054 M N -0.651 118.892 119.600 -0.095 0.000 2.082 6054 M HA -0.232 4.248 4.480 -0.000 0.000 0.258 6054 M C 2.363 178.746 176.300 0.140 0.000 1.071 6054 M CA 2.083 57.341 55.300 -0.070 0.000 1.103 6054 M CB -0.571 32.106 32.600 0.127 0.000 1.307 6054 M HN 0.436 nan 8.290 nan 0.000 0.409 6055 H N -0.007 119.095 119.070 0.053 0.000 2.352 6055 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 6055 H C 1.938 177.273 175.328 0.012 0.000 1.097 6055 H CA 1.466 57.602 56.048 0.147 0.000 1.311 6055 H CB -0.455 29.334 29.762 0.046 0.000 1.377 6055 H HN 0.446 nan 8.280 nan 0.000 0.504 6056 E N -0.045 120.233 120.200 0.131 0.000 2.118 6056 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 6056 E C 1.245 177.881 176.600 0.060 0.000 0.992 6056 E CA 0.818 57.285 56.400 0.112 0.000 0.804 6056 E CB 0.010 29.816 29.700 0.175 0.000 0.741 6056 E HN 0.337 nan 8.360 nan 0.000 0.458 6057 N N 0.746 119.448 118.700 0.003 0.000 2.449 6057 N HA -0.012 4.728 4.740 -0.000 0.000 0.191 6057 N C -0.553 175.007 175.510 0.083 0.000 1.161 6057 N CA 0.194 53.259 53.050 0.026 0.000 0.863 6057 N CB -0.001 38.441 38.487 -0.074 0.000 0.980 6057 N HN 0.193 nan 8.380 nan 0.000 0.458 6058 N N -0.542 118.202 118.700 0.075 0.000 2.816 6058 N HA -0.239 4.501 4.740 -0.000 0.000 0.247 6058 N C -1.346 174.044 175.510 -0.200 0.000 1.100 6058 N CA 0.493 53.554 53.050 0.019 0.000 0.687 6058 N CB -1.135 37.244 38.487 -0.180 0.000 1.003 6058 N HN 0.290 nan 8.380 nan 0.000 0.554 6059 Y N -1.003 119.211 120.300 -0.143 0.000 2.605 6059 Y HA 0.611 5.161 4.550 -0.000 0.000 0.343 6059 Y C 0.090 175.840 175.900 -0.249 0.000 1.036 6059 Y CA -0.725 57.233 58.100 -0.237 0.000 1.065 6059 Y CB 1.804 40.175 38.460 -0.148 0.000 1.288 6059 Y HN -0.151 nan 8.280 nan 0.000 0.481 6060 V N 1.549 121.499 119.914 0.060 0.000 2.482 6060 V HA 0.201 4.321 4.120 -0.000 0.000 0.295 6060 V C -0.855 175.374 176.094 0.224 0.000 1.026 6060 V CA -0.908 61.405 62.300 0.021 0.000 0.856 6060 V CB 0.990 32.763 31.823 -0.084 0.000 1.001 6060 V HN 0.686 nan 8.190 nan 0.000 0.424 6061 H N 4.899 124.067 119.070 0.164 0.000 2.848 6061 H HA 0.375 4.931 4.556 -0.000 0.000 0.317 6061 H C 0.305 175.697 175.328 0.107 0.000 1.046 6061 H CA -0.297 55.850 56.048 0.164 0.000 1.470 6061 H CB 1.280 31.160 29.762 0.198 0.000 1.483 6061 H HN 0.625 nan 8.280 nan 0.000 0.548 6062 L N 3.257 124.752 121.223 0.454 0.000 2.590 6062 L HA 0.147 4.487 4.340 -0.000 0.000 0.227 6062 L C 0.442 177.292 176.870 -0.032 0.000 1.099 6062 L CA 0.302 55.210 54.840 0.113 0.000 0.872 6062 L CB 0.364 42.460 42.059 0.062 0.000 1.088 6062 L HN 0.491 nan 8.230 nan 0.000 0.479 6063 D N 0.965 121.283 120.400 -0.136 0.000 2.683 6063 D HA 0.196 4.836 4.640 -0.000 0.000 0.309 6063 D C -0.555 175.391 176.300 -0.589 0.000 1.238 6063 D CA -0.458 53.422 54.000 -0.199 0.000 0.936 6063 D CB 0.525 41.345 40.800 0.035 0.000 1.001 6063 D HN -0.166 nan 8.370 nan 0.000 0.505 6064 L N 2.108 122.974 121.223 -0.595 0.000 2.361 6064 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 6064 L C -0.664 175.972 176.870 -0.390 0.000 1.113 6064 L CA 0.538 55.058 54.840 -0.534 0.000 0.849 6064 L CB 0.179 42.078 42.059 -0.267 0.000 1.155 6064 L HN 0.112 nan 8.230 nan 0.000 0.452 6065 K N 5.564 125.733 120.400 -0.385 0.000 2.464 6065 K HA 0.457 4.777 4.320 -0.000 0.000 0.253 6065 K C -2.070 174.349 176.600 -0.301 0.000 0.933 6065 K CA -1.527 54.463 56.287 -0.495 0.000 0.801 6065 K CB 2.240 34.509 32.500 -0.386 0.000 1.271 6065 K HN 0.184 nan 8.250 nan 0.000 0.430 6066 P HA -0.216 nan 4.420 nan 0.000 0.217 6066 P C 0.046 177.338 177.300 -0.014 0.000 1.148 6066 P CA 1.336 64.440 63.100 0.007 0.000 0.828 6066 P CB 0.287 32.185 31.700 0.329 0.000 0.783 6067 E N -0.540 119.641 120.200 -0.032 0.000 2.118 6067 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 6067 E C 0.922 177.476 176.600 -0.077 0.000 0.992 6067 E CA 0.912 57.324 56.400 0.020 0.000 0.804 6067 E CB -0.669 29.069 29.700 0.063 0.000 0.741 6067 E HN 0.374 nan 8.360 nan 0.000 0.458 6068 N N 0.795 119.382 118.700 -0.188 0.000 2.362 6068 N HA 0.106 4.846 4.740 -0.000 0.000 0.211 6068 N C -0.389 175.017 175.510 -0.173 0.000 1.170 6068 N CA 0.507 53.413 53.050 -0.241 0.000 0.828 6068 N CB 0.478 38.821 38.487 -0.239 0.000 1.034 6068 N HN 0.185 nan 8.380 nan 0.000 0.475 6069 I N 0.765 121.255 120.570 -0.134 0.000 2.476 6069 I HA 0.329 4.499 4.170 -0.000 0.000 0.281 6069 I C -0.431 175.585 176.117 -0.167 0.000 1.040 6069 I CA -0.191 61.015 61.300 -0.157 0.000 1.094 6069 I CB 1.385 39.282 38.000 -0.171 0.000 1.219 6069 I HN -0.229 nan 8.210 nan 0.000 0.450 6070 M N 4.321 123.818 119.600 -0.172 0.000 2.664 6070 M HA 0.578 5.058 4.480 -0.000 0.000 0.314 6070 M C -1.307 174.874 176.300 -0.199 0.000 1.200 6070 M CA -0.658 54.564 55.300 -0.129 0.000 0.916 6070 M CB 2.750 35.309 32.600 -0.069 0.000 1.717 6070 M HN 0.265 nan 8.290 nan 0.000 0.470 6071 F N -0.082 119.830 119.950 -0.063 0.000 2.422 6071 F HA 0.275 4.802 4.527 -0.000 0.000 0.333 6071 F C 1.560 177.346 175.800 -0.023 0.000 1.095 6071 F CA -0.181 57.795 58.000 -0.040 0.000 1.038 6071 F CB 1.715 40.684 39.000 -0.053 0.000 1.156 6071 F HN 0.732 nan 8.300 nan 0.000 0.483 6072 T N -1.810 112.874 114.554 0.217 0.000 2.597 6072 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 6072 T C 0.790 175.561 174.700 0.118 0.000 1.053 6072 T CA 1.807 63.986 62.100 0.132 0.000 1.165 6072 T CB -0.672 68.280 68.868 0.140 0.000 0.863 6072 T HN 0.680 nan 8.240 nan 0.000 0.427 6073 T N -2.027 112.610 114.554 0.138 0.000 2.883 6073 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 6073 T C 0.444 175.187 174.700 0.071 0.000 1.117 6073 T CA -1.126 61.039 62.100 0.107 0.000 1.006 6073 T CB 2.119 71.048 68.868 0.101 0.000 1.191 6073 T HN -0.132 nan 8.240 nan 0.000 0.508 6074 K N 0.637 121.069 120.400 0.054 0.000 2.286 6074 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 6074 K C 1.462 178.037 176.600 -0.041 0.000 1.045 6074 K CA 1.168 57.460 56.287 0.008 0.000 0.935 6074 K CB -0.097 32.421 32.500 0.030 0.000 0.737 6074 K HN 0.602 nan 8.250 nan 0.000 0.460 6075 R N 0.248 120.740 120.500 -0.014 0.000 2.508 6075 R HA 0.080 4.420 4.340 -0.000 0.000 0.300 6075 R C 0.659 176.948 176.300 -0.019 0.000 0.970 6075 R CA -0.127 55.957 56.100 -0.026 0.000 1.102 6075 R CB 0.754 31.053 30.300 -0.001 0.000 1.246 6075 R HN 0.069 nan 8.270 nan 0.000 0.539 6076 S N -0.361 115.338 115.700 -0.001 0.000 2.748 6076 S HA 0.337 4.807 4.470 -0.000 0.000 0.299 6076 S C 0.212 174.840 174.600 0.047 0.000 1.119 6076 S CA -0.829 57.401 58.200 0.050 0.000 0.997 6076 S CB 1.078 64.343 63.200 0.110 0.000 1.223 6076 S HN -0.000 nan 8.310 nan 0.000 0.541 6077 N N 0.030 118.833 118.700 0.170 0.000 2.416 6077 N HA 0.281 5.021 4.740 -0.000 0.000 0.267 6077 N C -1.268 174.564 175.510 0.536 0.000 1.294 6077 N CA -0.177 53.070 53.050 0.330 0.000 0.891 6077 N CB 0.699 39.329 38.487 0.238 0.000 1.238 6077 N HN 0.615 nan 8.380 nan 0.000 0.508 6078 E N 1.261 121.759 120.200 0.495 0.000 2.055 6078 E HA 0.255 4.605 4.350 -0.000 0.000 0.274 6078 E C -0.456 176.157 176.600 0.022 0.000 0.949 6078 E CA -0.393 56.165 56.400 0.263 0.000 0.775 6078 E CB 0.863 30.669 29.700 0.177 0.000 1.097 6078 E HN 0.211 nan 8.360 nan 0.000 0.404 6079 L N 3.297 124.341 121.223 -0.299 0.000 2.453 6079 L HA 0.433 4.773 4.340 -0.000 0.000 0.261 6079 L C 0.516 177.263 176.870 -0.206 0.000 1.179 6079 L CA -0.032 54.449 54.840 -0.599 0.000 0.813 6079 L CB 0.487 42.264 42.059 -0.470 0.000 1.110 6079 L HN 0.305 nan 8.230 nan 0.000 0.466 6080 K N 2.020 122.316 120.400 -0.172 0.000 2.575 6080 K HA 0.519 4.839 4.320 -0.000 0.000 0.279 6080 K C -1.566 175.020 176.600 -0.023 0.000 0.969 6080 K CA -0.775 55.501 56.287 -0.018 0.000 0.868 6080 K CB 2.508 35.032 32.500 0.039 0.000 1.457 6080 K HN 0.387 nan 8.250 nan 0.000 0.426 6081 L N 3.484 124.752 121.223 0.075 0.000 2.289 6081 L HA 0.442 4.782 4.340 -0.000 0.000 0.285 6081 L C 1.552 178.349 176.870 -0.123 0.000 1.049 6081 L CA -0.326 54.508 54.840 -0.010 0.000 0.804 6081 L CB 0.938 43.072 42.059 0.126 0.000 1.195 6081 L HN 0.702 nan 8.230 nan 0.000 0.428 6082 I N -2.204 118.197 120.570 -0.282 0.000 3.708 6082 I HA 0.333 4.503 4.170 -0.000 0.000 0.302 6082 I C 0.004 175.930 176.117 -0.318 0.000 1.255 6082 I CA 0.294 61.472 61.300 -0.203 0.000 1.362 6082 I CB 0.525 38.468 38.000 -0.096 0.000 1.100 6082 I HN 0.485 nan 8.210 nan 0.000 0.434 6083 D N -0.325 119.641 120.400 -0.723 0.000 2.732 6083 D HA 0.489 5.129 4.640 -0.000 0.000 0.229 6083 D C -0.783 174.924 176.300 -0.989 0.000 1.152 6083 D CA -0.556 53.100 54.000 -0.574 0.000 0.854 6083 D CB 1.767 42.336 40.800 -0.385 0.000 1.590 6083 D HN 0.078 nan 8.370 nan 0.000 0.468 6084 F N 0.818 120.668 119.950 -0.167 0.000 2.880 6084 F HA 0.311 4.838 4.527 -0.000 0.000 0.328 6084 F C 1.909 177.583 175.800 -0.211 0.000 1.146 6084 F CA -0.484 57.303 58.000 -0.354 0.000 1.135 6084 F CB 0.653 39.466 39.000 -0.311 0.000 1.151 6084 F HN 0.524 nan 8.300 nan 0.000 0.523 6085 G N 1.295 110.102 108.800 0.010 0.000 2.703 6085 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.222 6085 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.222 6085 G C 1.667 176.581 174.900 0.023 0.000 1.183 6085 G CA 1.638 46.745 45.100 0.011 0.000 0.775 6085 G HN 0.278 nan 8.290 nan 0.000 0.615 6086 L N 1.761 123.017 121.223 0.055 0.000 2.093 6086 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 6086 L C 2.363 179.295 176.870 0.104 0.000 1.085 6086 L CA 1.493 56.382 54.840 0.081 0.000 0.755 6086 L CB -1.059 41.079 42.059 0.132 0.000 0.904 6086 L HN 0.477 nan 8.230 nan 0.000 0.435 6087 T N -1.235 113.397 114.554 0.130 0.000 2.934 6087 T HA 0.359 4.709 4.350 -0.000 0.000 0.321 6087 T C -0.000 174.823 174.700 0.206 0.000 1.080 6087 T CA -0.073 62.128 62.100 0.168 0.000 1.132 6087 T CB 0.484 69.397 68.868 0.075 0.000 1.039 6087 T HN 0.472 nan 8.240 nan 0.000 0.543 6088 A N 1.631 124.645 122.820 0.323 0.000 2.599 6088 A HA 0.546 4.866 4.320 -0.000 0.000 0.290 6088 A C -0.597 177.177 177.584 0.316 0.000 1.101 6088 A CA -0.912 51.347 52.037 0.371 0.000 0.674 6088 A CB 0.882 20.020 19.000 0.230 0.000 1.277 6088 A HN 1.101 nan 8.150 nan 0.000 0.419 6089 H N 0.381 119.369 119.070 -0.137 0.000 2.652 6089 H HA 0.327 4.883 4.556 -0.000 0.000 0.349 6089 H C -0.647 174.504 175.328 -0.296 0.000 1.099 6089 H CA 0.366 55.998 56.048 -0.693 0.000 1.417 6089 H CB 1.215 30.567 29.762 -0.683 0.000 1.457 6089 H HN 0.562 nan 8.280 nan 0.000 0.568 6090 L N 6.407 127.120 121.223 -0.850 0.000 2.399 6090 L HA 0.126 4.466 4.340 -0.000 0.000 0.257 6090 L C -0.211 176.142 176.870 -0.861 0.000 1.236 6090 L CA 0.029 53.999 54.840 -1.449 0.000 1.144 6090 L CB -0.434 40.719 42.059 -1.510 0.000 1.379 6090 L HN 0.560 nan 8.230 nan 0.000 0.414 6091 D N 4.081 124.208 120.400 -0.456 0.000 2.549 6091 D HA 0.258 4.898 4.640 -0.000 0.000 0.251 6091 D C -2.300 173.995 176.300 -0.008 0.000 1.153 6091 D CA -1.870 52.042 54.000 -0.147 0.000 0.861 6091 D CB 2.551 43.352 40.800 0.002 0.000 1.207 6091 D HN 0.139 nan 8.370 nan 0.000 0.543 6092 P HA -0.130 nan 4.420 nan 0.000 0.224 6092 P C 0.834 178.141 177.300 0.012 0.000 1.142 6092 P CA 1.084 64.146 63.100 -0.064 0.000 0.778 6092 P CB 0.258 31.744 31.700 -0.356 0.000 0.764 6093 K N -1.296 119.136 120.400 0.053 0.000 2.167 6093 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 6093 K C 1.126 177.738 176.600 0.020 0.000 1.052 6093 K CA 0.736 57.041 56.287 0.030 0.000 0.956 6093 K CB 0.006 32.523 32.500 0.029 0.000 0.735 6093 K HN 0.349 nan 8.250 nan 0.000 0.451 6094 Q N 0.523 120.368 119.800 0.075 0.000 2.204 6094 Q HA 0.236 4.576 4.340 -0.000 0.000 0.254 6094 Q C -0.579 175.427 176.000 0.010 0.000 0.981 6094 Q CA -0.671 55.160 55.803 0.046 0.000 0.897 6094 Q CB 2.051 30.837 28.738 0.080 0.000 1.273 6094 Q HN 0.082 nan 8.270 nan 0.000 0.464 6095 S N -0.534 115.109 115.700 -0.095 0.000 2.621 6095 S HA 0.772 5.242 4.470 -0.000 0.000 0.302 6095 S C -0.356 174.064 174.600 -0.299 0.000 1.093 6095 S CA -0.795 57.287 58.200 -0.196 0.000 1.017 6095 S CB 1.431 64.576 63.200 -0.091 0.000 1.077 6095 S HN 0.351 nan 8.310 nan 0.000 0.517 6096 V N 0.500 120.117 119.914 -0.494 0.000 2.815 6096 V HA 0.567 4.687 4.120 -0.000 0.000 0.314 6096 V C -0.417 175.481 176.094 -0.327 0.000 1.064 6096 V CA -1.082 60.915 62.300 -0.505 0.000 0.952 6096 V CB 1.526 32.805 31.823 -0.906 0.000 1.020 6096 V HN 0.895 nan 8.190 nan 0.000 0.439 6097 K N 1.947 122.204 120.400 -0.239 0.000 2.185 6097 K HA 0.776 5.096 4.320 -0.000 0.000 0.269 6097 K C -0.740 175.769 176.600 -0.152 0.000 0.987 6097 K CA -0.506 55.682 56.287 -0.164 0.000 0.865 6097 K CB 2.018 34.442 32.500 -0.126 0.000 1.090 6097 K HN 0.712 nan 8.250 nan 0.000 0.450 6098 V N -1.091 118.747 119.914 -0.127 0.000 3.160 6098 V HA 0.620 4.740 4.120 -0.000 0.000 0.310 6098 V C -0.556 175.506 176.094 -0.053 0.000 1.181 6098 V CA -0.702 61.539 62.300 -0.098 0.000 1.047 6098 V CB 2.060 33.801 31.823 -0.137 0.000 1.068 6098 V HN 0.667 nan 8.190 nan 0.000 0.441 6099 T N 1.127 115.664 114.554 -0.029 0.000 2.912 6099 T HA 0.630 4.980 4.350 -0.000 0.000 0.288 6099 T C 0.731 175.425 174.700 -0.010 0.000 1.030 6099 T CA 0.277 62.378 62.100 0.001 0.000 1.020 6099 T CB 1.678 70.570 68.868 0.041 0.000 1.056 6099 T HN 1.076 nan 8.240 nan 0.000 0.480 6100 T N -1.720 112.834 114.554 0.000 0.000 2.975 6100 T HA 0.244 4.594 4.350 -0.000 0.000 0.257 6100 T C 2.241 176.948 174.700 0.013 0.000 1.003 6100 T CA 0.301 62.398 62.100 -0.005 0.000 0.932 6100 T CB -0.158 68.698 68.868 -0.019 0.000 1.087 6100 T HN 0.644 nan 8.240 nan 0.000 0.512 6101 G N 3.163 111.974 108.800 0.019 0.000 2.783 6101 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.225 6101 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.225 6101 G C 1.051 175.967 174.900 0.028 0.000 1.191 6101 G CA 1.649 46.756 45.100 0.012 0.000 0.774 6101 G HN 0.742 nan 8.290 nan 0.000 0.632 6102 T N -1.149 113.440 114.554 0.058 0.000 2.992 6102 T HA 0.688 5.038 4.350 -0.000 0.000 0.299 6102 T C 1.340 176.129 174.700 0.148 0.000 1.027 6102 T CA 0.446 62.625 62.100 0.131 0.000 1.001 6102 T CB 1.428 70.422 68.868 0.210 0.000 1.005 6102 T HN 0.486 nan 8.240 nan 0.000 0.599 6103 A N 3.721 126.595 122.820 0.090 0.000 1.908 6103 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 6103 A C 2.367 179.987 177.584 0.060 0.000 1.181 6103 A CA 1.549 53.618 52.037 0.054 0.000 0.627 6103 A CB -0.523 18.501 19.000 0.039 0.000 0.818 6103 A HN 0.906 nan 8.150 nan 0.000 0.445 6104 E N -1.018 119.244 120.200 0.103 0.000 2.114 6104 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 6104 E C 1.342 177.886 176.600 -0.093 0.000 1.008 6104 E CA 1.597 58.027 56.400 0.051 0.000 0.810 6104 E CB -0.558 29.189 29.700 0.078 0.000 0.739 6104 E HN 0.690 nan 8.360 nan 0.000 0.456 6105 F N 1.129 121.090 119.950 0.019 0.000 2.695 6105 F HA 0.346 4.873 4.527 -0.000 0.000 0.303 6105 F C 1.240 177.089 175.800 0.081 0.000 1.091 6105 F CA -0.120 57.895 58.000 0.025 0.000 1.300 6105 F CB 0.352 39.359 39.000 0.012 0.000 1.071 6105 F HN -0.052 nan 8.300 nan 0.000 0.578 6106 A N 0.956 123.890 122.820 0.189 0.000 2.407 6106 A HA 0.629 4.949 4.320 -0.000 0.000 0.248 6106 A C 0.323 177.960 177.584 0.087 0.000 1.082 6106 A CA 0.017 52.112 52.037 0.096 0.000 0.785 6106 A CB -0.053 18.951 19.000 0.005 0.000 1.020 6106 A HN 0.216 nan 8.150 nan 0.000 0.489 6107 A N 3.499 126.237 122.820 -0.136 0.000 2.303 6107 A HA 0.702 5.022 4.320 -0.000 0.000 0.317 6107 A C -1.670 175.526 177.584 -0.646 0.000 1.149 6107 A CA -1.724 49.870 52.037 -0.739 0.000 0.822 6107 A CB 0.235 18.866 19.000 -0.615 0.000 1.131 6107 A HN 0.583 nan 8.150 nan 0.000 0.493 6108 P HA -0.297 nan 4.420 nan 0.000 0.207 6108 P C 1.357 178.447 177.300 -0.350 0.000 0.926 6108 P CA 1.952 64.723 63.100 -0.548 0.000 0.982 6108 P CB -0.118 31.208 31.700 -0.624 0.000 0.686 6109 E N -0.478 119.537 120.200 -0.310 0.000 2.330 6109 E HA -0.315 4.035 4.350 -0.000 0.000 0.239 6109 E C 1.814 178.302 176.600 -0.187 0.000 1.097 6109 E CA 2.530 58.811 56.400 -0.198 0.000 1.031 6109 E CB -2.076 27.516 29.700 -0.180 0.000 0.885 6109 E HN 0.076 nan 8.360 nan 0.000 0.479 6110 V N 2.822 122.604 119.914 -0.220 0.000 2.220 6110 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 6110 V C 2.867 178.866 176.094 -0.159 0.000 1.053 6110 V CA 3.049 65.237 62.300 -0.187 0.000 1.019 6110 V CB -1.440 30.267 31.823 -0.193 0.000 0.646 6110 V HN 0.610 nan 8.190 nan 0.000 0.455 6111 A N -0.233 122.489 122.820 -0.164 0.000 1.869 6111 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 6111 A C 2.134 179.648 177.584 -0.117 0.000 1.203 6111 A CA 2.472 54.430 52.037 -0.132 0.000 0.638 6111 A CB -0.822 18.093 19.000 -0.141 0.000 0.831 6111 A HN 0.712 nan 8.150 nan 0.000 0.450 6112 E N -2.078 118.046 120.200 -0.127 0.000 2.265 6112 E HA 0.107 4.457 4.350 -0.000 0.000 0.196 6112 E C 1.404 177.938 176.600 -0.110 0.000 0.996 6112 E CA 0.547 56.884 56.400 -0.106 0.000 0.832 6112 E CB -0.210 29.429 29.700 -0.102 0.000 0.756 6112 E HN 0.877 nan 8.360 nan 0.000 0.491 6113 G N 1.155 109.878 108.800 -0.128 0.000 2.238 6113 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 6113 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 6113 G C 0.171 174.975 174.900 -0.160 0.000 0.996 6113 G CA -0.067 44.945 45.100 -0.147 0.000 0.632 6113 G HN 0.146 nan 8.290 nan 0.000 0.503 6114 K N 1.396 121.719 120.400 -0.128 0.000 2.508 6114 K HA 0.251 4.571 4.320 -0.000 0.000 0.273 6114 K C -2.107 174.445 176.600 -0.081 0.000 0.964 6114 K CA -0.394 55.837 56.287 -0.094 0.000 0.948 6114 K CB 0.120 32.580 32.500 -0.067 0.000 0.917 6114 K HN 0.177 nan 8.250 nan 0.000 0.512 6115 P HA -0.014 nan 4.420 nan 0.000 0.273 6115 P C -0.802 176.506 177.300 0.015 0.000 1.250 6115 P CA -0.365 62.773 63.100 0.064 0.000 0.793 6115 P CB 0.652 32.451 31.700 0.164 0.000 1.011 6116 V N -2.907 117.017 119.914 0.016 0.000 3.164 6116 V HA 1.045 5.165 4.120 -0.000 0.000 0.313 6116 V C 0.001 176.045 176.094 -0.084 0.000 1.188 6116 V CA -0.428 61.769 62.300 -0.172 0.000 1.058 6116 V CB 1.366 33.076 31.823 -0.189 0.000 1.110 6116 V HN 0.817 nan 8.190 nan 0.000 0.453 6117 G N -1.750 106.773 108.800 -0.462 0.000 2.341 6117 G HA2 0.337 4.297 3.960 -0.000 0.000 0.299 6117 G HA3 0.337 4.297 3.960 -0.000 0.000 0.299 6117 G C -0.729 174.066 174.900 -0.176 0.000 1.274 6117 G CA -0.076 44.928 45.100 -0.160 0.000 0.853 6117 G HN 0.685 nan 8.290 nan 0.000 0.493 6118 Y N 0.250 120.606 120.300 0.094 0.000 2.241 6118 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 6118 Y C 2.834 178.889 175.900 0.259 0.000 1.166 6118 Y CA 2.694 60.789 58.100 -0.008 0.000 1.203 6118 Y CB -0.651 37.773 38.460 -0.060 0.000 0.977 6118 Y HN 0.625 nan 8.280 nan 0.000 0.529 6119 Y N -1.388 119.053 120.300 0.235 0.000 2.181 6119 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 6119 Y C 2.287 178.285 175.900 0.162 0.000 1.146 6119 Y CA 0.931 59.139 58.100 0.180 0.000 1.164 6119 Y CB -1.990 36.541 38.460 0.118 0.000 0.982 6119 Y HN -0.059 nan 8.280 nan 0.000 0.515 6120 T N 0.900 115.346 114.554 -0.179 0.000 2.685 6120 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 6120 T C 1.103 175.841 174.700 0.065 0.000 1.034 6120 T CA 1.910 63.900 62.100 -0.183 0.000 1.149 6120 T CB -0.631 68.024 68.868 -0.354 0.000 0.860 6120 T HN 0.720 nan 8.240 nan 0.000 0.449 6121 D N 0.377 120.857 120.400 0.133 0.000 2.347 6121 D HA 0.031 4.671 4.640 -0.000 0.000 0.213 6121 D C 1.824 178.247 176.300 0.204 0.000 0.985 6121 D CA 0.201 54.307 54.000 0.176 0.000 0.879 6121 D CB -0.416 40.486 40.800 0.171 0.000 0.919 6121 D HN 0.170 nan 8.370 nan 0.000 0.526 6122 M N 0.074 119.816 119.600 0.237 0.000 2.080 6122 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 6122 M C 2.026 178.425 176.300 0.165 0.000 1.068 6122 M CA 1.050 56.453 55.300 0.172 0.000 1.109 6122 M CB -1.514 31.196 32.600 0.183 0.000 1.342 6122 M HN 0.363 nan 8.290 nan 0.000 0.405 6123 W N 1.378 122.675 121.300 -0.004 0.000 2.289 6123 W HA -0.336 4.324 4.660 -0.000 0.000 0.331 6123 W C 2.211 178.701 176.519 -0.047 0.000 1.283 6123 W CA 2.378 59.690 57.345 -0.055 0.000 1.252 6123 W CB -0.597 28.822 29.460 -0.068 0.000 1.153 6123 W HN 0.254 nan 8.180 nan 0.000 0.467 6124 S N 0.670 116.499 115.700 0.214 0.000 2.389 6124 S HA -0.266 4.204 4.470 -0.000 0.000 0.231 6124 S C 1.682 176.310 174.600 0.047 0.000 1.052 6124 S CA 2.155 60.440 58.200 0.141 0.000 1.053 6124 S CB -1.040 62.264 63.200 0.173 0.000 0.886 6124 S HN 0.240 nan 8.310 nan 0.000 0.456 6125 V N 1.770 121.707 119.914 0.038 0.000 2.261 6125 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 6125 V C 2.742 178.808 176.094 -0.047 0.000 1.047 6125 V CA 1.989 64.304 62.300 0.025 0.000 1.015 6125 V CB -1.771 30.072 31.823 0.034 0.000 0.642 6125 V HN 0.588 nan 8.190 nan 0.000 0.446 6126 G N 0.039 108.742 108.800 -0.162 0.000 2.574 6126 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 6126 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 6126 G C 1.661 176.394 174.900 -0.279 0.000 1.173 6126 G CA 1.633 46.575 45.100 -0.265 0.000 0.772 6126 G HN 0.370 nan 8.290 nan 0.000 0.585 6127 V N 0.816 120.478 119.914 -0.419 0.000 2.237 6127 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 6127 V C 2.684 178.704 176.094 -0.123 0.000 1.046 6127 V CA 1.786 63.838 62.300 -0.413 0.000 1.007 6127 V CB -0.754 30.683 31.823 -0.644 0.000 0.638 6127 V HN 0.364 nan 8.190 nan 0.000 0.445 6128 L N 0.487 121.721 121.223 0.019 0.000 2.054 6128 L HA -0.273 4.067 4.340 -0.000 0.000 0.220 6128 L C 2.509 179.481 176.870 0.169 0.000 1.081 6128 L CA 2.637 57.614 54.840 0.228 0.000 0.780 6128 L CB -0.897 41.292 42.059 0.217 0.000 0.893 6128 L HN 0.403 nan 8.230 nan 0.000 0.438 6129 S N -1.520 114.229 115.700 0.081 0.000 2.363 6129 S HA -0.283 4.187 4.470 -0.000 0.000 0.218 6129 S C 1.730 176.388 174.600 0.097 0.000 1.035 6129 S CA 1.474 59.695 58.200 0.034 0.000 1.043 6129 S CB -1.034 62.130 63.200 -0.059 0.000 0.986 6129 S HN 0.626 nan 8.310 nan 0.000 0.423 6130 Y N 2.544 122.802 120.300 -0.069 0.000 1.997 6130 Y HA -0.295 4.255 4.550 -0.000 0.000 0.265 6130 Y C 2.095 178.040 175.900 0.074 0.000 1.193 6130 Y CA 1.728 59.816 58.100 -0.021 0.000 1.106 6130 Y CB -0.706 37.709 38.460 -0.075 0.000 0.940 6130 Y HN 0.190 nan 8.280 nan 0.000 0.494 6131 I N -0.428 120.426 120.570 0.474 0.000 2.163 6131 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 6131 I C 2.340 178.717 176.117 0.433 0.000 1.085 6131 I CA 1.549 63.092 61.300 0.406 0.000 1.347 6131 I CB -0.681 37.508 38.000 0.316 0.000 1.044 6131 I HN 0.368 nan 8.210 nan 0.000 0.408 6132 L N 0.415 121.897 121.223 0.432 0.000 2.450 6132 L HA -0.135 4.205 4.340 -0.000 0.000 0.224 6132 L C 1.913 178.919 176.870 0.227 0.000 1.149 6132 L CA 1.637 56.616 54.840 0.231 0.000 0.816 6132 L CB -0.392 41.681 42.059 0.022 0.000 0.932 6132 L HN 0.180 nan 8.230 nan 0.000 0.449 6133 L N -1.823 119.533 121.223 0.221 0.000 2.265 6133 L HA -0.009 4.331 4.340 -0.000 0.000 0.195 6133 L C 2.459 179.453 176.870 0.206 0.000 1.083 6133 L CA 0.962 55.902 54.840 0.168 0.000 0.798 6133 L CB -0.201 41.822 42.059 -0.061 0.000 0.989 6133 L HN 0.432 nan 8.230 nan 0.000 0.472 6134 S N -0.782 114.947 115.700 0.048 0.000 2.377 6134 S HA 0.029 4.499 4.470 -0.000 0.000 0.223 6134 S C 1.468 176.210 174.600 0.237 0.000 1.030 6134 S CA 0.649 58.852 58.200 0.006 0.000 0.970 6134 S CB 0.030 63.062 63.200 -0.281 0.000 0.830 6134 S HN 0.526 nan 8.310 nan 0.000 0.473 6135 G N 0.837 109.907 108.800 0.450 0.000 2.171 6135 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.238 6135 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.238 6135 G C -0.398 174.632 174.900 0.216 0.000 1.039 6135 G CA 0.278 45.686 45.100 0.515 0.000 0.759 6135 G HN 0.617 nan 8.290 nan 0.000 0.501 6136 L N -0.308 121.035 121.223 0.200 0.000 2.472 6136 L HA 0.706 5.046 4.340 -0.000 0.000 0.260 6136 L C 0.345 177.410 176.870 0.324 0.000 0.963 6136 L CA -0.840 54.124 54.840 0.206 0.000 0.829 6136 L CB 2.151 44.334 42.059 0.207 0.000 1.348 6136 L HN 0.173 nan 8.230 nan 0.000 0.408 6137 S N 1.412 117.217 115.700 0.176 0.000 2.565 6137 S HA 0.427 4.897 4.470 -0.000 0.000 0.274 6137 S C -1.808 172.806 174.600 0.024 0.000 1.309 6137 S CA -1.081 57.164 58.200 0.075 0.000 1.043 6137 S CB 1.081 64.291 63.200 0.018 0.000 0.939 6137 S HN 0.474 nan 8.310 nan 0.000 0.504 6138 P HA 0.183 nan 4.420 nan 0.000 0.236 6138 P C -0.046 176.641 177.300 -1.021 0.000 1.177 6138 P CA 0.660 63.230 63.100 -0.883 0.000 0.773 6138 P CB 0.063 30.802 31.700 -1.602 0.000 0.878 6139 F N -1.235 118.626 119.950 -0.149 0.000 2.729 6139 F HA 0.434 4.961 4.527 -0.000 0.000 0.315 6139 F C 1.530 177.318 175.800 -0.019 0.000 1.102 6139 F CA -0.117 57.848 58.000 -0.058 0.000 1.204 6139 F CB -0.334 38.624 39.000 -0.069 0.000 1.052 6139 F HN -0.125 nan 8.300 nan 0.000 0.551 6140 G N 0.861 109.687 108.800 0.042 0.000 2.995 6140 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.625 6140 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.625 6140 G C 0.522 175.461 174.900 0.066 0.000 1.472 6140 G CA -0.215 44.914 45.100 0.049 0.000 0.998 6140 G HN 0.716 nan 8.290 nan 0.000 0.556 6141 G N -0.963 107.865 108.800 0.046 0.000 3.565 6141 G HA2 0.557 4.517 3.960 -0.000 0.000 0.346 6141 G HA3 0.557 4.517 3.960 -0.000 0.000 0.346 6141 G C 0.425 175.344 174.900 0.031 0.000 1.363 6141 G CA 0.747 45.871 45.100 0.041 0.000 1.134 6141 G HN 0.794 nan 8.290 nan 0.000 0.471 6142 E N 1.233 121.454 120.200 0.035 0.000 2.250 6142 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 6142 E C 0.069 176.682 176.600 0.022 0.000 0.986 6142 E CA 0.223 56.639 56.400 0.026 0.000 0.849 6142 E CB 0.198 29.916 29.700 0.030 0.000 0.797 6142 E HN 0.395 nan 8.360 nan 0.000 0.482 6143 N N -0.516 118.199 118.700 0.026 0.000 4.526 6143 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 6143 N C -1.209 174.316 175.510 0.025 0.000 1.053 6143 N CA -0.278 52.784 53.050 0.019 0.000 1.091 6143 N CB 0.992 39.489 38.487 0.016 0.000 1.605 6143 N HN -0.125 nan 8.380 nan 0.000 0.717 6144 D N 0.295 120.706 120.400 0.019 0.000 2.254 6144 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 6144 D C 0.792 177.106 176.300 0.023 0.000 0.998 6144 D CA 1.574 55.587 54.000 0.022 0.000 0.885 6144 D CB 0.359 41.166 40.800 0.012 0.000 0.915 6144 D HN 0.443 nan 8.370 nan 0.000 0.460 6145 D N -0.201 120.211 120.400 0.019 0.000 2.120 6145 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 6145 D C 2.039 178.357 176.300 0.029 0.000 0.972 6145 D CA 0.591 54.601 54.000 0.017 0.000 0.837 6145 D CB -0.195 40.612 40.800 0.010 0.000 0.989 6145 D HN 0.238 nan 8.370 nan 0.000 0.469 6146 E N 0.662 120.884 120.200 0.036 0.000 2.070 6146 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 6146 E C 2.093 178.741 176.600 0.080 0.000 1.004 6146 E CA 1.320 57.751 56.400 0.051 0.000 0.805 6146 E CB -0.767 28.962 29.700 0.048 0.000 0.744 6146 E HN 0.284 nan 8.360 nan 0.000 0.451 6147 T N 2.432 117.035 114.554 0.082 0.000 2.624 6147 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 6147 T C 2.150 176.915 174.700 0.108 0.000 1.050 6147 T CA 1.661 63.832 62.100 0.118 0.000 1.163 6147 T CB -0.432 68.487 68.868 0.085 0.000 0.861 6147 T HN 0.123 nan 8.240 nan 0.000 0.443 6148 L N -0.010 121.240 121.223 0.046 0.000 2.072 6148 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 6148 L C 2.908 179.789 176.870 0.018 0.000 1.079 6148 L CA 1.123 55.962 54.840 -0.001 0.000 0.752 6148 L CB -0.465 41.583 42.059 -0.017 0.000 0.906 6148 L HN 0.164 nan 8.230 nan 0.000 0.436 6149 R N 0.357 120.883 120.500 0.044 0.000 2.096 6149 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 6149 R C 2.102 178.457 176.300 0.091 0.000 1.139 6149 R CA 1.785 57.915 56.100 0.049 0.000 0.952 6149 R CB -0.627 29.703 30.300 0.049 0.000 0.854 6149 R HN 0.485 nan 8.270 nan 0.000 0.436 6150 N N 0.461 119.259 118.700 0.163 0.000 2.104 6150 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 6150 N C 1.966 177.674 175.510 0.330 0.000 1.024 6150 N CA 1.419 54.645 53.050 0.293 0.000 0.853 6150 N CB -0.510 38.248 38.487 0.452 0.000 1.008 6150 N HN 0.048 nan 8.380 nan 0.000 0.424 6151 V N 1.926 121.919 119.914 0.131 0.000 2.214 6151 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 6151 V C 2.342 178.420 176.094 -0.027 0.000 1.051 6151 V CA 1.726 63.941 62.300 -0.142 0.000 1.003 6151 V CB -0.581 31.072 31.823 -0.283 0.000 0.635 6151 V HN 0.286 nan 8.190 nan 0.000 0.447 6152 K N 0.442 120.820 120.400 -0.035 0.000 2.228 6152 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 6152 K C 2.121 178.734 176.600 0.023 0.000 1.045 6152 K CA 1.801 58.067 56.287 -0.035 0.000 0.931 6152 K CB -0.238 32.243 32.500 -0.032 0.000 0.727 6152 K HN 0.707 nan 8.250 nan 0.000 0.458 6153 S N -0.607 115.144 115.700 0.085 0.000 2.503 6153 S HA -0.020 4.450 4.470 -0.000 0.000 0.215 6153 S C 0.934 175.650 174.600 0.193 0.000 1.003 6153 S CA 0.102 58.372 58.200 0.116 0.000 0.910 6153 S CB 0.051 63.316 63.200 0.109 0.000 0.790 6153 S HN 0.417 nan 8.310 nan 0.000 0.514 6154 C N 3.010 122.488 119.300 0.297 0.000 4.388 6154 C HA -0.102 4.358 4.460 -0.000 0.000 0.310 6154 C C -1.343 173.961 174.990 0.523 0.000 1.261 6154 C CA -0.171 59.130 59.018 0.472 0.000 2.114 6154 C CB -2.728 25.229 27.740 0.361 0.000 1.281 6154 C HN 0.592 nan 8.230 nan 0.000 0.706 6155 D N 4.215 124.936 120.400 0.536 0.000 2.381 6155 D HA 0.806 5.446 4.640 -0.000 0.000 0.235 6155 D C 0.188 176.613 176.300 0.207 0.000 1.068 6155 D CA 0.678 54.852 54.000 0.290 0.000 0.832 6155 D CB 1.006 41.902 40.800 0.161 0.000 1.101 6155 D HN 0.789 nan 8.370 nan 0.000 0.515 6156 W N 0.812 122.008 121.300 -0.173 0.000 2.881 6156 W HA 0.413 5.073 4.660 -0.000 0.000 0.380 6156 W C -1.841 174.574 176.519 -0.172 0.000 1.170 6156 W CA -0.936 56.215 57.345 -0.323 0.000 1.171 6156 W CB 0.328 29.457 29.460 -0.552 0.000 1.464 6156 W HN 0.289 nan 8.180 nan 0.000 0.574 6157 N N -0.358 118.063 118.700 -0.466 0.000 2.710 6157 N HA 0.361 5.101 4.740 -0.000 0.000 0.257 6157 N C 0.077 175.241 175.510 -0.576 0.000 1.327 6157 N CA -0.745 51.892 53.050 -0.690 0.000 0.861 6157 N CB 1.909 40.126 38.487 -0.451 0.000 1.532 6157 N HN 0.489 nan 8.380 nan 0.000 0.499 6158 M N 0.465 119.723 119.600 -0.570 0.000 2.134 6158 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 6158 M C 0.162 176.115 176.300 -0.578 0.000 1.076 6158 M CA 2.061 57.104 55.300 -0.428 0.000 1.143 6158 M CB -0.485 32.016 32.600 -0.164 0.000 1.346 6158 M HN 0.713 nan 8.290 nan 0.000 0.421 6159 D N 0.399 120.579 120.400 -0.367 0.000 2.263 6159 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 6159 D C 0.636 176.794 176.300 -0.237 0.000 1.013 6159 D CA 1.236 55.088 54.000 -0.247 0.000 0.892 6159 D CB -1.205 39.486 40.800 -0.182 0.000 0.909 6159 D HN 0.368 nan 8.370 nan 0.000 0.449 6160 D N -0.152 120.020 120.400 -0.380 0.000 2.648 6160 D HA -0.075 4.565 4.640 -0.000 0.000 0.229 6160 D C 1.425 177.730 176.300 0.008 0.000 1.119 6160 D CA 0.733 54.613 54.000 -0.199 0.000 0.850 6160 D CB 0.869 41.538 40.800 -0.218 0.000 1.169 6160 D HN 0.173 nan 8.370 nan 0.000 0.489 6161 S N 3.558 119.274 115.700 0.026 0.000 2.414 6161 S HA -0.361 4.109 4.470 -0.000 0.000 0.241 6161 S C 1.987 176.650 174.600 0.104 0.000 1.079 6161 S CA 1.771 60.004 58.200 0.056 0.000 1.087 6161 S CB -0.588 62.628 63.200 0.026 0.000 0.927 6161 S HN 0.590 nan 8.310 nan 0.000 0.456 6162 A N 0.723 123.630 122.820 0.145 0.000 1.978 6162 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 6162 A C 1.847 179.518 177.584 0.145 0.000 1.170 6162 A CA 1.468 53.579 52.037 0.124 0.000 0.636 6162 A CB -1.067 18.002 19.000 0.115 0.000 0.810 6162 A HN 0.584 nan 8.150 nan 0.000 0.448 6163 F N 1.362 121.294 119.950 -0.031 0.000 2.641 6163 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 6163 F C 2.676 178.478 175.800 0.003 0.000 1.146 6163 F CA 0.774 58.767 58.000 -0.012 0.000 1.464 6163 F CB -0.570 38.424 39.000 -0.009 0.000 1.101 6163 F HN 0.382 nan 8.300 nan 0.000 0.585 6164 S N -0.551 115.243 115.700 0.158 0.000 2.370 6164 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 6164 S C 2.127 176.762 174.600 0.058 0.000 1.033 6164 S CA 1.176 59.430 58.200 0.090 0.000 1.011 6164 S CB -1.130 62.105 63.200 0.058 0.000 0.852 6164 S HN 0.314 nan 8.310 nan 0.000 0.457 6165 G N 1.024 109.843 108.800 0.032 0.000 3.440 6165 G HA2 0.531 4.491 3.960 -0.000 0.000 0.263 6165 G HA3 0.531 4.491 3.960 -0.000 0.000 0.263 6165 G C 0.006 174.905 174.900 -0.001 0.000 1.236 6165 G CA -0.482 44.624 45.100 0.010 0.000 0.927 6165 G HN 0.503 nan 8.290 nan 0.000 0.530 6166 I N 0.691 121.264 120.570 0.005 0.000 2.693 6166 I HA 0.308 4.478 4.170 -0.000 0.000 0.303 6166 I C 0.692 176.848 176.117 0.064 0.000 1.025 6166 I CA -1.027 60.276 61.300 0.005 0.000 1.086 6166 I CB 2.200 40.142 38.000 -0.096 0.000 1.268 6166 I HN 0.094 nan 8.210 nan 0.000 0.440 6167 S N 2.741 118.504 115.700 0.106 0.000 2.579 6167 S HA 0.113 4.583 4.470 -0.000 0.000 0.275 6167 S C 0.822 175.526 174.600 0.174 0.000 1.345 6167 S CA -0.335 57.947 58.200 0.136 0.000 1.031 6167 S CB 1.257 64.552 63.200 0.158 0.000 0.892 6167 S HN 0.613 nan 8.310 nan 0.000 0.529 6168 E N 1.181 121.475 120.200 0.157 0.000 2.150 6168 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 6168 E C 1.417 178.158 176.600 0.236 0.000 0.985 6168 E CA 1.060 57.561 56.400 0.169 0.000 0.814 6168 E CB -0.472 29.307 29.700 0.132 0.000 0.752 6168 E HN 0.736 nan 8.360 nan 0.000 0.466 6169 D N -0.287 120.289 120.400 0.294 0.000 2.116 6169 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 6169 D C 1.877 178.489 176.300 0.520 0.000 0.998 6169 D CA 1.543 55.823 54.000 0.465 0.000 0.836 6169 D CB -0.614 40.481 40.800 0.492 0.000 0.951 6169 D HN 0.306 nan 8.370 nan 0.000 0.449 6170 G N 0.983 110.040 108.800 0.427 0.000 2.453 6170 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.215 6170 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.215 6170 G C 1.640 176.550 174.900 0.016 0.000 1.201 6170 G CA 0.951 45.969 45.100 -0.137 0.000 0.784 6170 G HN 0.240 nan 8.290 nan 0.000 0.545 6171 K N 0.105 120.594 120.400 0.148 0.000 2.015 6171 K HA -0.200 4.120 4.320 -0.000 0.000 0.220 6171 K C 2.244 178.986 176.600 0.236 0.000 1.055 6171 K CA 1.676 58.104 56.287 0.234 0.000 0.951 6171 K CB -0.358 32.292 32.500 0.250 0.000 0.725 6171 K HN 0.207 nan 8.250 nan 0.000 0.449 6172 D N 0.100 120.641 120.400 0.235 0.000 2.154 6172 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 6172 D C 1.718 178.137 176.300 0.198 0.000 1.003 6172 D CA 1.417 55.561 54.000 0.241 0.000 0.849 6172 D CB -0.265 40.715 40.800 0.301 0.000 0.942 6172 D HN 0.156 nan 8.370 nan 0.000 0.446 6173 F N 1.059 120.973 119.950 -0.060 0.000 2.011 6173 F HA -0.175 4.352 4.527 -0.000 0.000 0.296 6173 F C 2.462 178.087 175.800 -0.291 0.000 1.144 6173 F CA 1.732 59.486 58.000 -0.411 0.000 1.185 6173 F CB -0.577 37.995 39.000 -0.713 0.000 0.961 6173 F HN -0.013 nan 8.300 nan 0.000 0.485 6174 I N 0.225 120.882 120.570 0.145 0.000 2.264 6174 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 6174 I C 2.527 178.609 176.117 -0.058 0.000 1.111 6174 I CA 1.493 62.792 61.300 -0.000 0.000 1.382 6174 I CB -0.632 37.399 38.000 0.051 0.000 1.060 6174 I HN 0.236 nan 8.210 nan 0.000 0.418 6175 R N 0.774 121.357 120.500 0.138 0.000 2.105 6175 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 6175 R C 2.062 178.419 176.300 0.095 0.000 1.135 6175 R CA 0.977 57.235 56.100 0.263 0.000 0.967 6175 R CB -0.197 30.285 30.300 0.302 0.000 0.861 6175 R HN 0.245 nan 8.270 nan 0.000 0.442 6176 K N 0.567 120.950 120.400 -0.028 0.000 2.439 6176 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 6176 K C 1.826 178.339 176.600 -0.146 0.000 1.041 6176 K CA 0.712 56.951 56.287 -0.080 0.000 0.970 6176 K CB 0.164 32.580 32.500 -0.141 0.000 0.773 6176 K HN 0.287 nan 8.250 nan 0.000 0.479 6177 L N -0.193 120.896 121.223 -0.223 0.000 2.357 6177 L HA 0.121 4.461 4.340 -0.000 0.000 0.211 6177 L C 1.153 177.958 176.870 -0.109 0.000 1.075 6177 L CA 0.244 54.961 54.840 -0.204 0.000 0.830 6177 L CB 0.058 41.926 42.059 -0.318 0.000 0.996 6177 L HN -0.010 nan 8.230 nan 0.000 0.467 6178 L N 1.836 122.931 121.223 -0.214 0.000 2.968 6178 L HA 0.212 4.552 4.340 -0.000 0.000 0.235 6178 L C -0.309 176.688 176.870 0.211 0.000 1.323 6178 L CA -0.135 54.552 54.840 -0.255 0.000 1.159 6178 L CB -0.508 41.030 42.059 -0.868 0.000 1.523 6178 L HN 0.145 nan 8.230 nan 0.000 0.468 6179 L N -0.009 121.377 121.223 0.272 0.000 2.276 6179 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 6179 L C 1.535 178.566 176.870 0.269 0.000 1.061 6179 L CA -0.332 54.665 54.840 0.261 0.000 0.807 6179 L CB 1.430 43.586 42.059 0.162 0.000 1.177 6179 L HN 0.243 nan 8.230 nan 0.000 0.429 6180 A N 2.419 125.368 122.820 0.215 0.000 1.865 6180 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 6180 A C 1.061 178.655 177.584 0.017 0.000 1.191 6180 A CA 1.321 53.400 52.037 0.069 0.000 0.623 6180 A CB -0.413 18.630 19.000 0.071 0.000 0.826 6180 A HN 0.831 nan 8.150 nan 0.000 0.444 6181 D N -0.064 120.362 120.400 0.044 0.000 2.359 6181 D HA 0.199 4.839 4.640 -0.000 0.000 0.273 6181 D C -1.470 174.845 176.300 0.024 0.000 1.362 6181 D CA -1.736 52.278 54.000 0.023 0.000 1.010 6181 D CB 0.569 41.381 40.800 0.021 0.000 1.090 6181 D HN 0.051 nan 8.370 nan 0.000 0.521 6182 P HA -0.258 nan 4.420 nan 0.000 0.221 6182 P C 0.756 177.980 177.300 -0.127 0.000 1.160 6182 P CA 1.280 64.412 63.100 0.055 0.000 0.933 6182 P CB 0.087 31.872 31.700 0.142 0.000 0.793 6183 N N -1.602 116.990 118.700 -0.180 0.000 2.635 6183 N HA -0.075 4.665 4.740 -0.000 0.000 0.191 6183 N C 1.175 176.637 175.510 -0.080 0.000 1.155 6183 N CA 1.583 54.525 53.050 -0.181 0.000 0.927 6183 N CB -0.581 37.820 38.487 -0.143 0.000 0.976 6183 N HN 0.411 nan 8.380 nan 0.000 0.448 6184 T N -3.012 111.525 114.554 -0.029 0.000 3.022 6184 T HA 0.201 4.551 4.350 -0.000 0.000 0.250 6184 T C 0.990 175.706 174.700 0.026 0.000 1.060 6184 T CA -0.293 61.811 62.100 0.007 0.000 1.013 6184 T CB 0.637 69.521 68.868 0.028 0.000 0.982 6184 T HN 0.017 nan 8.240 nan 0.000 0.508 6185 R N 0.735 121.260 120.500 0.042 0.000 2.726 6185 R HA 0.518 4.858 4.340 -0.000 0.000 0.272 6185 R C 0.384 176.700 176.300 0.027 0.000 1.097 6185 R CA -0.392 55.739 56.100 0.052 0.000 1.198 6185 R CB 0.299 30.670 30.300 0.119 0.000 1.114 6185 R HN 0.256 nan 8.270 nan 0.000 0.550 6186 M N 1.206 120.799 119.600 -0.011 0.000 2.243 6186 M HA 0.062 4.542 4.480 -0.000 0.000 0.341 6186 M C 0.484 176.805 176.300 0.034 0.000 1.130 6186 M CA 0.079 55.373 55.300 -0.011 0.000 1.162 6186 M CB 0.927 33.471 32.600 -0.092 0.000 1.497 6186 M HN 0.678 nan 8.290 nan 0.000 0.456 6187 T N -0.921 113.669 114.554 0.059 0.000 2.910 6187 T HA 0.238 4.588 4.350 -0.000 0.000 0.293 6187 T C 1.246 175.969 174.700 0.039 0.000 1.015 6187 T CA -0.835 61.315 62.100 0.084 0.000 1.094 6187 T CB 0.990 69.925 68.868 0.113 0.000 0.968 6187 T HN 0.731 nan 8.240 nan 0.000 0.521 6188 I N 1.223 121.775 120.570 -0.030 0.000 2.229 6188 I HA -0.327 3.843 4.170 -0.000 0.000 0.250 6188 I C 2.156 178.239 176.117 -0.058 0.000 1.096 6188 I CA 1.884 63.113 61.300 -0.118 0.000 1.358 6188 I CB -0.253 37.553 38.000 -0.323 0.000 1.047 6188 I HN 0.851 nan 8.210 nan 0.000 0.422 6189 H N 0.189 119.285 119.070 0.043 0.000 2.267 6189 H HA -0.244 4.312 4.556 -0.000 0.000 0.297 6189 H C 2.337 177.712 175.328 0.078 0.000 1.080 6189 H CA 2.034 58.118 56.048 0.060 0.000 1.278 6189 H CB -0.155 29.641 29.762 0.056 0.000 1.365 6189 H HN 0.402 nan 8.280 nan 0.000 0.489 6190 Q N 0.030 119.952 119.800 0.203 0.000 2.135 6190 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 6190 Q C 2.560 178.659 176.000 0.164 0.000 0.981 6190 Q CA 1.078 56.974 55.803 0.155 0.000 0.856 6190 Q CB -0.089 28.715 28.738 0.109 0.000 0.902 6190 Q HN 0.511 nan 8.270 nan 0.000 0.425 6191 A N 0.752 123.639 122.820 0.112 0.000 1.908 6191 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 6191 A C 1.985 179.751 177.584 0.304 0.000 1.181 6191 A CA 1.230 53.336 52.037 0.114 0.000 0.627 6191 A CB -0.626 18.376 19.000 0.002 0.000 0.818 6191 A HN 0.329 nan 8.150 nan 0.000 0.445 6192 L N -0.713 120.653 121.223 0.237 0.000 2.291 6192 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 6192 L C 2.052 179.063 176.870 0.236 0.000 1.120 6192 L CA 0.996 55.980 54.840 0.241 0.000 0.799 6192 L CB -0.580 41.591 42.059 0.187 0.000 0.925 6192 L HN 0.461 nan 8.230 nan 0.000 0.446 6193 E N -1.319 119.016 120.200 0.225 0.000 2.481 6193 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 6193 E C 0.666 177.389 176.600 0.205 0.000 1.047 6193 E CA -0.115 56.393 56.400 0.181 0.000 0.867 6193 E CB 0.013 29.802 29.700 0.148 0.000 0.858 6193 E HN 0.398 nan 8.360 nan 0.000 0.513 6194 H N 1.424 120.614 119.070 0.201 0.000 2.764 6194 H HA 0.014 4.570 4.556 -0.000 0.000 0.341 6194 H C -1.783 173.704 175.328 0.264 0.000 1.072 6194 H CA -1.578 54.621 56.048 0.252 0.000 1.444 6194 H CB 1.442 31.427 29.762 0.371 0.000 1.458 6194 H HN -0.213 nan 8.280 nan 0.000 0.572 6195 P HA -0.225 nan 4.420 nan 0.000 0.217 6195 P C 1.266 178.660 177.300 0.157 0.000 1.158 6195 P CA 1.639 64.679 63.100 -0.100 0.000 0.887 6195 P CB -0.198 31.347 31.700 -0.258 0.000 0.792 6196 W N 0.092 121.561 121.300 0.281 0.000 2.301 6196 W HA -0.225 4.435 4.660 -0.000 0.000 0.325 6196 W C 2.212 178.754 176.519 0.039 0.000 1.250 6196 W CA 1.782 59.225 57.345 0.163 0.000 1.261 6196 W CB -1.149 28.313 29.460 0.004 0.000 1.157 6196 W HN -0.167 nan 8.180 nan 0.000 0.473 6197 L N -0.388 121.042 121.223 0.346 0.000 2.156 6197 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 6197 L C 1.441 178.355 176.870 0.073 0.000 1.095 6197 L CA 1.082 56.020 54.840 0.164 0.000 0.770 6197 L CB -1.691 40.540 42.059 0.287 0.000 0.914 6197 L HN -0.108 nan 8.230 nan 0.000 0.439 6198 T N -3.019 111.599 114.554 0.106 0.000 2.814 6198 T HA 0.163 4.513 4.350 -0.000 0.000 0.297 6198 T C -1.693 173.001 174.700 -0.009 0.000 0.956 6198 T CA -1.543 60.587 62.100 0.051 0.000 1.123 6198 T CB 1.102 70.007 68.868 0.061 0.000 0.902 6198 T HN -0.131 nan 8.240 nan 0.000 0.528 6199 P HA -0.132 nan 4.420 nan 0.000 0.218 6199 P C 1.557 178.825 177.300 -0.052 0.000 1.152 6199 P CA 2.141 65.206 63.100 -0.058 0.000 0.857 6199 P CB -0.510 31.166 31.700 -0.040 0.000 0.787 6200 G N -0.798 107.986 108.800 -0.027 0.000 2.704 6200 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.344 6200 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.344 6200 G C 1.268 176.153 174.900 -0.025 0.000 1.200 6200 G CA 1.129 46.216 45.100 -0.021 0.000 0.962 6200 G HN 0.252 nan 8.290 nan 0.000 0.552 6201 N N 1.830 120.511 118.700 -0.032 0.000 2.278 6201 N HA 0.295 5.035 4.740 -0.000 0.000 0.181 6201 N C 1.689 177.175 175.510 -0.040 0.000 1.023 6201 N CA 2.369 55.401 53.050 -0.029 0.000 0.862 6201 N CB -0.389 38.084 38.487 -0.024 0.000 1.003 6201 N HN 2.000 nan 8.380 nan 0.000 0.431 6202 A N 0.465 123.249 122.820 -0.060 0.000 3.115 6202 A HA -0.099 4.221 4.320 -0.000 0.000 0.255 6202 A C -1.991 175.555 177.584 -0.064 0.000 1.380 6202 A CA -0.065 51.928 52.037 -0.074 0.000 0.806 6202 A CB -2.637 16.327 19.000 -0.060 0.000 1.044 6202 A HN 0.290 nan 8.150 nan 0.000 0.589 6203 P HA 0.408 nan 4.420 nan 0.000 0.280 6203 P C 0.994 178.264 177.300 -0.050 0.000 1.278 6203 P CA 0.453 63.526 63.100 -0.044 0.000 0.787 6203 P CB 0.231 31.910 31.700 -0.034 0.000 1.163 6204 G N 0.207 108.986 108.800 -0.036 0.000 2.588 6204 G HA2 0.089 4.049 3.960 -0.000 0.000 0.297 6204 G HA3 0.089 4.049 3.960 -0.000 0.000 0.297 6204 G C 0.384 175.261 174.900 -0.039 0.000 0.874 6204 G CA -0.272 44.807 45.100 -0.035 0.000 1.607 6204 G HN 0.370 nan 8.290 nan 0.000 0.486 6205 R N 1.213 121.679 120.500 -0.058 0.000 2.446 6205 R HA 0.085 4.425 4.340 -0.000 0.000 0.254 6205 R C 0.681 176.945 176.300 -0.059 0.000 0.918 6205 R CA -0.260 55.801 56.100 -0.064 0.000 1.069 6205 R CB 0.587 30.820 30.300 -0.112 0.000 1.194 6205 R HN 0.303 nan 8.270 nan 0.000 0.534 6206 D N 1.624 121.991 120.400 -0.055 0.000 2.393 6206 D HA -0.093 4.547 4.640 -0.000 0.000 0.220 6206 D C -0.035 176.247 176.300 -0.030 0.000 0.974 6206 D CA 0.936 54.909 54.000 -0.045 0.000 0.931 6206 D CB -0.204 40.573 40.800 -0.039 0.000 0.889 6206 D HN -0.057 nan 8.370 nan 0.000 0.512 6207 S N 1.464 117.148 115.700 -0.026 0.000 2.946 6207 S HA -0.117 4.353 4.470 -0.000 0.000 0.349 6207 S C 0.529 175.119 174.600 -0.016 0.000 1.189 6207 S CA 0.043 58.232 58.200 -0.019 0.000 1.285 6207 S CB -0.130 63.059 63.200 -0.017 0.000 1.010 6207 S HN 0.290 nan 8.310 nan 0.000 0.538 6208 Q N 2.411 122.203 119.800 -0.013 0.000 2.369 6208 Q HA 0.100 4.440 4.340 -0.000 0.000 0.295 6208 Q C -0.578 175.412 176.000 -0.016 0.000 1.075 6208 Q CA 0.437 56.236 55.803 -0.007 0.000 0.941 6208 Q CB 0.308 29.043 28.738 -0.004 0.000 1.260 6208 Q HN 0.615 nan 8.270 nan 0.000 0.417 6209 I N 4.251 124.813 120.570 -0.013 0.000 2.474 6209 I HA 0.356 4.526 4.170 -0.000 0.000 0.294 6209 I C -2.217 173.861 176.117 -0.065 0.000 1.005 6209 I CA -2.799 58.469 61.300 -0.053 0.000 1.113 6209 I CB 1.597 39.563 38.000 -0.057 0.000 1.289 6209 I HN 0.520 nan 8.210 nan 0.000 0.436 6210 P HA 0.052 nan 4.420 nan 0.000 0.265 6210 P C 0.549 177.792 177.300 -0.096 0.000 1.222 6210 P CA -0.011 63.038 63.100 -0.084 0.000 0.767 6210 P CB 0.518 32.163 31.700 -0.090 0.000 0.801 6211 S N 1.020 116.704 115.700 -0.025 0.000 2.559 6211 S HA -0.167 4.303 4.470 -0.000 0.000 0.250 6211 S C 1.485 176.108 174.600 0.038 0.000 0.977 6211 S CA 1.321 59.544 58.200 0.038 0.000 0.958 6211 S CB -0.836 62.385 63.200 0.034 0.000 0.751 6211 S HN 0.554 nan 8.310 nan 0.000 0.534 6212 S N 1.744 117.431 115.700 -0.020 0.000 2.441 6212 S HA 0.154 4.624 4.470 -0.000 0.000 0.224 6212 S C 1.704 176.286 174.600 -0.031 0.000 1.043 6212 S CA -0.325 57.869 58.200 -0.010 0.000 0.948 6212 S CB -0.357 62.829 63.200 -0.023 0.000 0.810 6212 S HN 0.341 nan 8.310 nan 0.000 0.504 6213 R N 0.074 120.491 120.500 -0.139 0.000 2.174 6213 R HA -0.161 4.179 4.340 -0.000 0.000 0.253 6213 R C 1.514 177.754 176.300 -0.101 0.000 1.165 6213 R CA 1.931 57.903 56.100 -0.213 0.000 0.984 6213 R CB -0.416 29.610 30.300 -0.457 0.000 0.873 6213 R HN 0.527 nan 8.270 nan 0.000 0.456 6214 Y N -0.400 119.931 120.300 0.052 0.000 2.397 6214 Y HA -0.066 4.484 4.550 -0.000 0.000 0.292 6214 Y C 2.627 178.534 175.900 0.012 0.000 1.115 6214 Y CA 0.992 59.122 58.100 0.051 0.000 1.208 6214 Y CB -0.935 37.606 38.460 0.136 0.000 1.046 6214 Y HN 0.160 nan 8.280 nan 0.000 0.552 6215 T N -0.609 114.047 114.554 0.169 0.000 2.731 6215 T HA -0.428 3.922 4.350 -0.000 0.000 0.263 6215 T C 1.947 176.681 174.700 0.057 0.000 1.033 6215 T CA 2.093 64.250 62.100 0.095 0.000 1.160 6215 T CB -0.521 68.384 68.868 0.061 0.000 0.849 6215 T HN 0.392 nan 8.240 nan 0.000 0.469 6216 K N 1.748 122.178 120.400 0.050 0.000 2.001 6216 K HA -0.167 4.153 4.320 -0.000 0.000 0.214 6216 K C 2.601 179.200 176.600 -0.002 0.000 1.050 6216 K CA 2.251 58.554 56.287 0.025 0.000 0.934 6216 K CB -0.504 32.015 32.500 0.031 0.000 0.718 6216 K HN 0.744 nan 8.250 nan 0.000 0.443 6217 I N -1.690 118.859 120.570 -0.034 0.000 2.439 6217 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 6217 I C 2.632 178.658 176.117 -0.150 0.000 1.139 6217 I CA 0.875 62.100 61.300 -0.125 0.000 1.438 6217 I CB -0.498 37.337 38.000 -0.275 0.000 1.085 6217 I HN 0.122 nan 8.210 nan 0.000 0.427 6218 R N 1.333 121.771 120.500 -0.103 0.000 2.139 6218 R HA -0.224 4.116 4.340 -0.000 0.000 0.243 6218 R C 1.451 177.756 176.300 0.007 0.000 1.145 6218 R CA 2.458 58.546 56.100 -0.021 0.000 0.976 6218 R CB -0.300 30.041 30.300 0.069 0.000 0.866 6218 R HN 0.457 nan 8.270 nan 0.000 0.449 6219 D N -0.622 119.779 120.400 0.001 0.000 2.110 6219 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 6219 D C 1.921 178.214 176.300 -0.012 0.000 0.975 6219 D CA 1.586 55.590 54.000 0.006 0.000 0.839 6219 D CB 0.038 40.844 40.800 0.010 0.000 0.996 6219 D HN 0.084 nan 8.370 nan 0.000 0.464 6220 S N 0.285 115.970 115.700 -0.024 0.000 2.392 6220 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 6220 S C 2.035 176.602 174.600 -0.056 0.000 1.041 6220 S CA 0.680 58.859 58.200 -0.034 0.000 1.026 6220 S CB -0.310 62.876 63.200 -0.024 0.000 0.845 6220 S HN 0.263 nan 8.310 nan 0.000 0.465 6221 I N 1.386 121.932 120.570 -0.041 0.000 2.090 6221 I HA -0.256 3.914 4.170 -0.000 0.000 0.236 6221 I C 2.408 178.507 176.117 -0.030 0.000 1.064 6221 I CA 1.453 62.740 61.300 -0.021 0.000 1.324 6221 I CB -0.270 37.755 38.000 0.042 0.000 1.044 6221 I HN 0.274 nan 8.210 nan 0.000 0.399 6222 K N 0.244 120.662 120.400 0.031 0.000 2.063 6222 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 6222 K C 1.975 178.575 176.600 -0.001 0.000 1.048 6222 K CA 2.191 58.522 56.287 0.072 0.000 0.928 6222 K CB -0.609 31.936 32.500 0.076 0.000 0.713 6222 K HN 0.528 nan 8.250 nan 0.000 0.442 6223 T N 0.320 114.846 114.554 -0.045 0.000 2.699 6223 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 6223 T C 1.718 176.329 174.700 -0.148 0.000 1.036 6223 T CA 1.336 63.400 62.100 -0.061 0.000 1.147 6223 T CB -0.307 68.531 68.868 -0.050 0.000 0.862 6223 T HN 0.191 nan 8.240 nan 0.000 0.446 6224 K N 0.503 120.707 120.400 -0.327 0.000 2.189 6224 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 6224 K C 1.548 177.793 176.600 -0.591 0.000 1.046 6224 K CA 1.989 57.939 56.287 -0.562 0.000 0.928 6224 K CB -0.340 31.642 32.500 -0.863 0.000 0.720 6224 K HN 0.605 nan 8.250 nan 0.000 0.458 6225 Y N 0.365 120.715 120.300 0.083 0.000 2.481 6225 Y HA 0.012 4.562 4.550 -0.000 0.000 0.247 6225 Y C 1.399 177.455 175.900 0.259 0.000 1.151 6225 Y CA -0.457 57.739 58.100 0.160 0.000 1.238 6225 Y CB -0.234 38.231 38.460 0.008 0.000 1.179 6225 Y HN 0.134 nan 8.280 nan 0.000 0.524 6226 D N 1.059 121.579 120.400 0.201 0.000 2.292 6226 D HA -0.278 4.362 4.640 -0.000 0.000 0.205 6226 D C 1.765 178.139 176.300 0.125 0.000 0.994 6226 D CA 1.390 55.472 54.000 0.138 0.000 0.897 6226 D CB -0.365 40.468 40.800 0.054 0.000 0.907 6226 D HN 0.301 nan 8.370 nan 0.000 0.467 6227 A N -1.181 121.727 122.820 0.146 0.000 2.248 6227 A HA 0.186 4.506 4.320 -0.000 0.000 0.210 6227 A C 0.030 177.433 177.584 -0.302 0.000 1.174 6227 A CA 0.197 52.177 52.037 -0.094 0.000 0.750 6227 A CB -0.469 18.439 19.000 -0.154 0.000 0.780 6227 A HN 0.322 nan 8.150 nan 0.000 0.478 6228 W N -2.009 119.301 121.300 0.016 0.000 3.040 6228 W HA 0.558 5.218 4.660 -0.000 0.000 0.344 6228 W C -2.678 173.839 176.519 -0.004 0.000 1.201 6228 W CA -2.395 54.949 57.345 -0.002 0.000 1.119 6228 W CB -0.360 29.093 29.460 -0.012 0.000 1.478 6228 W HN -0.219 nan 8.180 nan 0.000 0.586 6229 P HA 0.079 nan 4.420 nan 0.000 0.272 6229 P C -0.547 176.814 177.300 0.101 0.000 1.223 6229 P CA -0.393 62.781 63.100 0.124 0.000 0.784 6229 P CB 0.674 32.428 31.700 0.090 0.000 0.923 6230 E N 2.315 122.553 120.200 0.063 0.000 2.366 6230 E HA 0.172 4.522 4.350 -0.000 0.000 0.266 6230 E C -2.091 174.506 176.600 -0.004 0.000 1.051 6230 E CA -1.834 54.588 56.400 0.038 0.000 0.884 6230 E CB 0.138 29.865 29.700 0.045 0.000 1.006 6230 E HN 0.261 nan 8.360 nan 0.000 0.417 6231 P HA 0.111 nan 4.420 nan 0.000 0.272 6231 P C -1.085 176.195 177.300 -0.034 0.000 1.223 6231 P CA 0.176 63.225 63.100 -0.085 0.000 0.784 6231 P CB 0.393 32.008 31.700 -0.141 0.000 0.923 6232 L N 2.969 124.170 121.223 -0.036 0.000 2.489 6232 L HA 0.372 4.712 4.340 -0.000 0.000 0.257 6232 L C -2.309 174.563 176.870 0.003 0.000 1.215 6232 L CA -1.754 53.125 54.840 0.065 0.000 0.915 6232 L CB 1.531 43.655 42.059 0.109 0.000 1.146 6232 L HN 0.223 nan 8.230 nan 0.000 0.494 6233 P HA 0.233 nan 4.420 nan 0.000 0.276 6233 P C -2.039 175.177 177.300 -0.140 0.000 1.261 6233 P CA -1.287 61.766 63.100 -0.078 0.000 0.800 6233 P CB 0.646 32.265 31.700 -0.134 0.000 1.066 6234 P HA -0.186 nan 4.420 nan 0.000 0.218 6234 P C 1.668 178.859 177.300 -0.181 0.000 1.150 6234 P CA 1.103 64.138 63.100 -0.108 0.000 0.841 6234 P CB -0.095 31.574 31.700 -0.051 0.000 0.784 6235 L N 0.222 121.303 121.223 -0.236 0.000 2.349 6235 L HA -0.035 4.305 4.340 -0.000 0.000 0.220 6235 L C 2.500 179.175 176.870 -0.324 0.000 1.130 6235 L CA 1.731 56.395 54.840 -0.294 0.000 0.791 6235 L CB -1.516 40.297 42.059 -0.411 0.000 0.918 6235 L HN -0.035 nan 8.230 nan 0.000 0.444 6236 G N -0.936 107.681 108.800 -0.305 0.000 2.469 6236 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.220 6236 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.220 6236 G C 1.743 176.400 174.900 -0.405 0.000 1.136 6236 G CA 0.778 45.689 45.100 -0.315 0.000 0.759 6236 G HN 0.394 nan 8.290 nan 0.000 0.562 6237 R N 0.228 120.453 120.500 -0.459 0.000 2.244 6237 R HA -0.118 4.221 4.340 -0.000 0.000 0.252 6237 R C 2.398 178.025 176.300 -1.121 0.000 1.177 6237 R CA 1.225 56.883 56.100 -0.737 0.000 1.004 6237 R CB -0.427 29.474 30.300 -0.665 0.000 0.873 6237 R HN 0.555 nan 8.270 nan 0.000 0.469 6238 I N 0.235 120.364 120.570 -0.736 0.000 2.454 6238 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 6238 I C 1.958 177.827 176.117 -0.414 0.000 1.156 6238 I CA 1.321 62.306 61.300 -0.525 0.000 1.433 6238 I CB -0.495 37.293 38.000 -0.352 0.000 1.082 6238 I HN 0.192 nan 8.210 nan 0.000 0.432 6239 S N 0.651 116.103 115.700 -0.413 0.000 2.493 6239 S HA -0.127 4.343 4.470 -0.000 0.000 0.243 6239 S C 1.437 175.868 174.600 -0.283 0.000 0.991 6239 S CA 1.068 59.114 58.200 -0.256 0.000 0.957 6239 S CB -0.485 62.549 63.200 -0.276 0.000 0.756 6239 S HN 0.535 nan 8.310 nan 0.000 0.521 6240 N N -0.236 118.150 118.700 -0.524 0.000 2.184 6240 N HA 0.168 4.908 4.740 -0.000 0.000 0.206 6240 N C -1.167 174.391 175.510 0.080 0.000 1.151 6240 N CA 0.093 52.854 53.050 -0.481 0.000 0.878 6240 N CB 0.422 38.417 38.487 -0.821 0.000 1.014 6240 N HN 0.381 nan 8.380 nan 0.000 0.512 6241 Y N 0.514 120.919 120.300 0.176 0.000 2.330 6241 Y HA 0.555 5.105 4.550 -0.000 0.000 0.336 6241 Y C 0.421 176.437 175.900 0.194 0.000 1.036 6241 Y CA -1.413 56.822 58.100 0.226 0.000 1.125 6241 Y CB 1.610 40.085 38.460 0.025 0.000 1.194 6241 Y HN -0.299 nan 8.280 nan 0.000 0.469 6242 S N -0.110 115.684 115.700 0.157 0.000 2.558 6242 S HA 0.224 4.694 4.470 -0.000 0.000 0.277 6242 S C 0.452 174.810 174.600 -0.404 0.000 1.143 6242 S CA -0.204 57.764 58.200 -0.387 0.000 0.865 6242 S CB 0.713 63.304 63.200 -1.013 0.000 1.102 6242 S HN 0.689 nan 8.310 nan 0.000 0.454 6243 S N 2.802 118.348 115.700 -0.257 0.000 2.465 6243 S HA -0.050 4.420 4.470 -0.000 0.000 0.241 6243 S C 1.687 176.153 174.600 -0.225 0.000 1.000 6243 S CA 0.756 58.854 58.200 -0.170 0.000 0.964 6243 S CB -0.590 62.554 63.200 -0.093 0.000 0.763 6243 S HN 0.673 nan 8.310 nan 0.000 0.512 6244 L N 0.750 121.735 121.223 -0.396 0.000 2.353 6244 L HA -0.061 4.279 4.340 -0.000 0.000 0.220 6244 L C 2.805 179.579 176.870 -0.160 0.000 1.133 6244 L CA 0.840 55.533 54.840 -0.244 0.000 0.798 6244 L CB -0.500 41.326 42.059 -0.388 0.000 0.922 6244 L HN 0.339 nan 8.230 nan 0.000 0.445 6245 R N 0.694 121.013 120.500 -0.302 0.000 2.134 6245 R HA -0.246 4.094 4.340 -0.000 0.000 0.248 6245 R C 2.096 178.278 176.300 -0.197 0.000 1.143 6245 R CA 1.691 57.581 56.100 -0.350 0.000 0.957 6245 R CB -0.472 29.635 30.300 -0.322 0.000 0.867 6245 R HN 0.350 nan 8.270 nan 0.000 0.441 6246 K N -0.296 119.980 120.400 -0.207 0.000 2.242 6246 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 6246 K C 1.631 178.032 176.600 -0.332 0.000 1.045 6246 K CA 1.938 58.063 56.287 -0.270 0.000 0.930 6246 K CB -0.339 31.954 32.500 -0.344 0.000 0.726 6246 K HN 0.533 nan 8.250 nan 0.000 0.462 6247 H N -0.381 118.670 119.070 -0.032 0.000 2.535 6247 H HA 0.117 4.673 4.556 -0.000 0.000 0.273 6247 H C 0.221 175.568 175.328 0.032 0.000 0.983 6247 H CA 0.375 56.426 56.048 0.005 0.000 1.238 6247 H CB 0.325 30.095 29.762 0.013 0.000 1.412 6247 H HN -0.001 nan 8.280 nan 0.000 0.562 6248 R N 1.096 121.663 120.500 0.111 0.000 3.301 6248 R HA 0.149 4.489 4.340 -0.000 0.000 0.286 6248 R C -2.181 174.204 176.300 0.142 0.000 1.386 6248 R CA -1.377 54.807 56.100 0.140 0.000 1.607 6248 R CB 0.623 31.033 30.300 0.183 0.000 1.305 6248 R HN 0.212 nan 8.270 nan 0.000 0.637 6249 P HA -0.266 nan 4.420 nan 0.000 0.217 6249 P C 1.235 178.600 177.300 0.108 0.000 1.151 6249 P CA 1.294 64.440 63.100 0.076 0.000 0.849 6249 P CB 0.335 32.059 31.700 0.039 0.000 0.787 6250 Q N -0.423 119.443 119.800 0.110 0.000 1.994 6250 Q HA -0.195 4.145 4.340 -0.000 0.000 0.198 6250 Q C 2.347 178.423 176.000 0.126 0.000 0.976 6250 Q CA 1.380 57.242 55.803 0.098 0.000 0.828 6250 Q CB -0.415 28.370 28.738 0.077 0.000 0.894 6250 Q HN 0.188 nan 8.270 nan 0.000 0.432 6251 E N -0.901 119.413 120.200 0.190 0.000 2.160 6251 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 6251 E C 0.851 177.528 176.600 0.129 0.000 0.991 6251 E CA 1.080 57.594 56.400 0.191 0.000 0.810 6251 E CB 0.122 30.005 29.700 0.305 0.000 0.742 6251 E HN 0.422 nan 8.360 nan 0.000 0.466 6252 Y N -0.672 119.673 120.300 0.074 0.000 2.458 6252 Y HA 0.237 4.787 4.550 -0.000 0.000 0.256 6252 Y C 0.795 176.722 175.900 0.045 0.000 1.159 6252 Y CA 0.345 58.489 58.100 0.074 0.000 1.261 6252 Y CB 0.726 39.250 38.460 0.106 0.000 1.119 6252 Y HN -0.149 nan 8.280 nan 0.000 0.524 6253 S N 0.764 116.545 115.700 0.134 0.000 3.706 6253 S HA -0.182 4.288 4.470 -0.000 0.000 0.363 6253 S C -0.083 174.555 174.600 0.063 0.000 0.999 6253 S CA 0.021 58.262 58.200 0.069 0.000 1.143 6253 S CB -1.826 61.394 63.200 0.033 0.000 0.902 6253 S HN 0.344 nan 8.310 nan 0.000 0.476 6254 I N 1.430 122.043 120.570 0.072 0.000 2.566 6254 I HA 0.585 4.755 4.170 -0.000 0.000 0.303 6254 I C 0.762 176.874 176.117 -0.009 0.000 0.983 6254 I CA -0.637 60.681 61.300 0.031 0.000 1.235 6254 I CB 1.400 39.417 38.000 0.030 0.000 1.386 6254 I HN 0.248 nan 8.210 nan 0.000 0.494 6255 R N 2.691 123.167 120.500 -0.040 0.000 2.584 6255 R HA 0.319 4.659 4.340 -0.000 0.000 0.276 6255 R C -1.673 174.576 176.300 -0.084 0.000 1.046 6255 R CA -1.042 55.022 56.100 -0.059 0.000 0.906 6255 R CB 1.960 32.221 30.300 -0.066 0.000 1.215 6255 R HN 0.551 nan 8.270 nan 0.000 0.449 6256 D N 1.277 121.631 120.400 -0.076 0.000 2.414 6256 D HA 0.405 5.045 4.640 -0.000 0.000 0.242 6256 D C -0.362 175.888 176.300 -0.084 0.000 1.129 6256 D CA 0.609 54.564 54.000 -0.074 0.000 0.885 6256 D CB 1.050 41.829 40.800 -0.034 0.000 1.198 6256 D HN 0.577 nan 8.370 nan 0.000 0.437 6257 A N 1.449 124.219 122.820 -0.083 0.000 2.606 6257 A HA 0.577 4.897 4.320 -0.000 0.000 0.293 6257 A C -1.438 176.210 177.584 0.105 0.000 1.082 6257 A CA -0.809 51.192 52.037 -0.058 0.000 0.685 6257 A CB 0.903 19.813 19.000 -0.150 0.000 1.284 6257 A HN 0.310 nan 8.150 nan 0.000 0.408 6258 F N 0.344 120.191 119.950 -0.171 0.000 2.375 6258 F HA 0.436 4.963 4.527 -0.000 0.000 0.333 6258 F C 0.388 176.151 175.800 -0.061 0.000 1.104 6258 F CA -1.089 56.843 58.000 -0.114 0.000 1.149 6258 F CB 0.534 39.507 39.000 -0.044 0.000 1.190 6258 F HN 0.595 nan 8.300 nan 0.000 0.533 6259 W N 1.595 122.907 121.300 0.020 0.000 2.237 6259 W HA 0.147 4.807 4.660 -0.000 0.000 0.335 6259 W C 0.309 176.816 176.519 -0.020 0.000 1.230 6259 W CA -0.741 56.573 57.345 -0.051 0.000 1.253 6259 W CB 0.512 29.898 29.460 -0.123 0.000 1.129 6259 W HN 0.298 nan 8.180 nan 0.000 0.590 6260 D N 2.317 122.899 120.400 0.304 0.000 2.338 6260 D HA 0.046 4.686 4.640 -0.000 0.000 0.255 6260 D C 1.364 177.690 176.300 0.045 0.000 1.237 6260 D CA 0.311 54.428 54.000 0.194 0.000 0.883 6260 D CB 0.657 41.633 40.800 0.293 0.000 1.087 6260 D HN 0.301 nan 8.370 nan 0.000 0.485 6261 R N 1.617 122.121 120.500 0.007 0.000 2.134 6261 R HA -0.220 4.120 4.340 -0.000 0.000 0.248 6261 R C 1.982 178.222 176.300 -0.100 0.000 1.143 6261 R CA 2.071 58.116 56.100 -0.091 0.000 0.957 6261 R CB -0.363 29.913 30.300 -0.041 0.000 0.867 6261 R HN 0.499 nan 8.270 nan 0.000 0.441 6262 S N 0.103 115.784 115.700 -0.031 0.000 2.507 6262 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 6262 S C 1.441 176.029 174.600 -0.021 0.000 0.988 6262 S CA 0.824 59.010 58.200 -0.024 0.000 0.944 6262 S CB 0.084 63.271 63.200 -0.021 0.000 0.762 6262 S HN 0.373 nan 8.310 nan 0.000 0.526 6263 E N 0.655 120.848 120.200 -0.012 0.000 2.474 6263 E HA 0.298 4.648 4.350 -0.000 0.000 0.194 6263 E C 1.723 178.320 176.600 -0.006 0.000 1.041 6263 E CA 0.351 56.769 56.400 0.029 0.000 0.874 6263 E CB 0.033 29.833 29.700 0.167 0.000 0.914 6263 E HN 0.690 nan 8.360 nan 0.000 0.498 6264 A N 0.640 123.397 122.820 -0.106 0.000 2.208 6264 A HA 0.006 4.326 4.320 -0.000 0.000 0.209 6264 A C 0.976 178.617 177.584 0.096 0.000 1.161 6264 A CA 0.026 52.029 52.037 -0.055 0.000 0.782 6264 A CB 0.086 18.924 19.000 -0.270 0.000 0.816 6264 A HN 0.137 nan 8.150 nan 0.000 0.477 6265 Q N 0.456 120.283 119.800 0.044 0.000 2.428 6265 Q HA 0.117 4.457 4.340 -0.000 0.000 0.276 6265 Q C -2.283 173.700 176.000 -0.028 0.000 1.059 6265 Q CA -1.394 54.431 55.803 0.037 0.000 0.923 6265 Q CB -0.036 28.705 28.738 0.005 0.000 1.283 6265 Q HN 0.193 nan 8.270 nan 0.000 0.447 6266 P HA -0.012 nan 4.420 nan 0.000 0.270 6266 P C -1.105 176.079 177.300 -0.193 0.000 1.223 6266 P CA 0.291 63.287 63.100 -0.174 0.000 0.785 6266 P CB 0.512 32.047 31.700 -0.275 0.000 0.923 6267 R N 1.482 121.849 120.500 -0.221 0.000 2.502 6267 R HA 0.423 4.763 4.340 -0.000 0.000 0.298 6267 R C -1.151 175.067 176.300 -0.136 0.000 1.018 6267 R CA -0.619 55.396 56.100 -0.141 0.000 0.899 6267 R CB 0.259 30.489 30.300 -0.116 0.000 1.181 6267 R HN 0.207 nan 8.270 nan 0.000 0.444 6268 F N 3.120 123.031 119.950 -0.065 0.000 2.533 6268 F HA 0.138 4.665 4.527 -0.000 0.000 0.378 6268 F C 1.619 177.395 175.800 -0.040 0.000 1.070 6268 F CA 0.021 57.987 58.000 -0.057 0.000 1.172 6268 F CB 0.586 39.546 39.000 -0.067 0.000 1.085 6268 F HN 0.512 nan 8.300 nan 0.000 0.552 6269 I N 2.282 122.919 120.570 0.112 0.000 2.927 6269 I HA 0.020 4.190 4.170 -0.000 0.000 0.268 6269 I C -0.038 176.071 176.117 -0.012 0.000 1.153 6269 I CA 0.488 61.782 61.300 -0.010 0.000 1.459 6269 I CB 0.129 38.061 38.000 -0.113 0.000 1.149 6269 I HN 0.103 nan 8.210 nan 0.000 0.443 6270 V N 2.901 122.863 119.914 0.079 0.000 2.378 6270 V HA 0.265 4.385 4.120 -0.000 0.000 0.288 6270 V C -0.333 175.847 176.094 0.143 0.000 1.016 6270 V CA -0.882 61.472 62.300 0.091 0.000 0.840 6270 V CB 1.322 33.207 31.823 0.103 0.000 0.994 6270 V HN 0.125 nan 8.190 nan 0.000 0.431 6271 K N 5.120 125.569 120.400 0.082 0.000 2.201 6271 K HA 0.450 4.770 4.320 -0.000 0.000 0.278 6271 K C -2.548 174.079 176.600 0.045 0.000 1.027 6271 K CA -1.684 54.606 56.287 0.004 0.000 0.909 6271 K CB 1.092 33.554 32.500 -0.064 0.000 1.062 6271 K HN 0.366 nan 8.250 nan 0.000 0.465 6272 P HA -0.166 nan 4.420 nan 0.000 0.261 6272 P C -0.812 176.566 177.300 0.129 0.000 1.165 6272 P CA 0.451 63.575 63.100 0.040 0.000 0.759 6272 P CB 0.035 31.689 31.700 -0.076 0.000 0.772 6273 Y N 1.933 122.362 120.300 0.215 0.000 2.314 6273 Y HA 0.617 5.167 4.550 -0.000 0.000 0.334 6273 Y C 0.671 176.763 175.900 0.320 0.000 1.266 6273 Y CA -1.876 56.340 58.100 0.194 0.000 1.391 6273 Y CB -0.201 38.348 38.460 0.149 0.000 1.306 6273 Y HN 0.412 nan 8.280 nan 0.000 0.558 6274 G N 0.268 109.402 108.800 0.556 0.000 2.509 6274 G HA2 0.617 4.577 3.960 -0.000 0.000 0.328 6274 G HA3 0.617 4.577 3.960 -0.000 0.000 0.328 6274 G C -1.387 173.748 174.900 0.390 0.000 1.194 6274 G CA -0.962 44.457 45.100 0.531 0.000 0.967 6274 G HN 0.818 nan 8.290 nan 0.000 0.488 6275 T N 0.625 115.358 114.554 0.299 0.000 2.982 6275 T HA 0.320 4.670 4.350 -0.000 0.000 0.321 6275 T C -1.230 173.504 174.700 0.058 0.000 1.229 6275 T CA -0.706 61.441 62.100 0.077 0.000 1.044 6275 T CB 2.113 70.943 68.868 -0.064 0.000 1.184 6275 T HN 0.406 nan 8.240 nan 0.000 0.477 6276 E N 1.985 122.188 120.200 0.004 0.000 2.152 6276 E HA 0.523 4.873 4.350 -0.000 0.000 0.285 6276 E C -0.758 175.822 176.600 -0.033 0.000 1.043 6276 E CA -0.276 56.123 56.400 -0.002 0.000 0.839 6276 E CB 1.480 31.174 29.700 -0.010 0.000 1.069 6276 E HN 0.317 nan 8.360 nan 0.000 0.399 6277 V N 1.678 121.575 119.914 -0.028 0.000 2.817 6277 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 6277 V C 0.347 176.409 176.094 -0.054 0.000 1.151 6277 V CA -1.095 61.176 62.300 -0.048 0.000 0.929 6277 V CB 2.367 34.152 31.823 -0.062 0.000 1.030 6277 V HN 0.757 nan 8.190 nan 0.000 0.427 6278 G N 2.087 110.850 108.800 -0.061 0.000 2.441 6278 G HA2 0.351 4.311 3.960 -0.000 0.000 0.243 6278 G HA3 0.351 4.311 3.960 -0.000 0.000 0.243 6278 G C -0.031 174.787 174.900 -0.138 0.000 1.281 6278 G CA -0.034 45.014 45.100 -0.087 0.000 0.854 6278 G HN 0.843 nan 8.290 nan 0.000 0.560 6279 E N 0.744 120.795 120.200 -0.248 0.000 2.508 6279 E HA 0.245 4.595 4.350 -0.000 0.000 0.266 6279 E C 1.523 177.939 176.600 -0.306 0.000 1.010 6279 E CA 1.309 57.500 56.400 -0.349 0.000 0.955 6279 E CB 0.105 29.420 29.700 -0.641 0.000 0.946 6279 E HN 0.945 nan 8.360 nan 0.000 0.454 6280 G N 3.204 111.922 108.800 -0.137 0.000 2.729 6280 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 6280 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 6280 G C 0.124 175.014 174.900 -0.016 0.000 1.252 6280 G CA 0.240 45.337 45.100 -0.006 0.000 0.751 6280 G HN 0.626 nan 8.290 nan 0.000 0.527 6281 Q N 1.443 121.224 119.800 -0.032 0.000 2.539 6281 Q HA 0.431 4.771 4.340 -0.000 0.000 0.268 6281 Q C 0.854 176.822 176.000 -0.054 0.000 1.109 6281 Q CA 0.825 56.605 55.803 -0.037 0.000 0.968 6281 Q CB 0.572 29.282 28.738 -0.046 0.000 1.309 6281 Q HN 0.847 nan 8.270 nan 0.000 0.497 6282 S N -0.754 114.910 115.700 -0.061 0.000 2.718 6282 S HA 0.863 5.333 4.470 -0.000 0.000 0.300 6282 S C -0.802 173.729 174.600 -0.115 0.000 1.117 6282 S CA -0.542 57.610 58.200 -0.081 0.000 1.002 6282 S CB 1.954 65.110 63.200 -0.073 0.000 1.092 6282 S HN 0.738 nan 8.310 nan 0.000 0.542 6283 A N 1.005 123.728 122.820 -0.161 0.000 2.594 6283 A HA 0.823 5.143 4.320 -0.000 0.000 0.291 6283 A C -1.019 176.343 177.584 -0.370 0.000 1.105 6283 A CA -0.964 50.919 52.037 -0.258 0.000 0.694 6283 A CB 1.175 19.988 19.000 -0.312 0.000 1.291 6283 A HN 0.791 nan 8.150 nan 0.000 0.410 6284 N N -0.927 117.470 118.700 -0.505 0.000 2.701 6284 N HA 0.846 5.586 4.740 -0.000 0.000 0.290 6284 N C -1.872 172.959 175.510 -1.132 0.000 1.338 6284 N CA -0.095 52.555 53.050 -0.667 0.000 0.799 6284 N CB 1.358 39.497 38.487 -0.579 0.000 1.491 6284 N HN 0.423 nan 8.380 nan 0.000 0.540 6285 F N 0.452 119.801 119.950 -1.002 0.000 2.639 6285 F HA 0.343 4.870 4.527 -0.000 0.000 0.326 6285 F C -1.228 174.077 175.800 -0.826 0.000 1.150 6285 F CA -0.593 56.769 58.000 -1.062 0.000 1.057 6285 F CB 0.719 39.267 39.000 -0.753 0.000 1.300 6285 F HN 0.260 nan 8.300 nan 0.000 0.486 6286 Y N 1.794 121.978 120.300 -0.194 0.000 2.562 6286 Y HA 0.771 5.321 4.550 -0.000 0.000 0.343 6286 Y C 0.358 176.333 175.900 0.126 0.000 1.025 6286 Y CA -1.784 56.330 58.100 0.023 0.000 1.082 6286 Y CB 1.892 40.357 38.460 0.009 0.000 1.264 6286 Y HN 0.855 nan 8.280 nan 0.000 0.478 6287 C N 0.295 119.841 119.300 0.410 0.000 3.216 6287 C HA 0.843 5.303 4.460 -0.000 0.000 0.346 6287 C C -1.341 173.823 174.990 0.290 0.000 1.384 6287 C CA -1.302 57.908 59.018 0.320 0.000 1.208 6287 C CB 2.129 30.078 27.740 0.348 0.000 1.483 6287 C HN 1.031 nan 8.230 nan 0.000 0.453 6288 R N 0.650 121.294 120.500 0.240 0.000 2.584 6288 R HA 0.850 5.190 4.340 -0.000 0.000 0.276 6288 R C -2.065 174.315 176.300 0.133 0.000 1.046 6288 R CA -0.344 55.870 56.100 0.190 0.000 0.906 6288 R CB 2.208 32.567 30.300 0.098 0.000 1.215 6288 R HN 0.939 nan 8.270 nan 0.000 0.449 6289 V N 5.185 125.172 119.914 0.122 0.000 3.049 6289 V HA 0.604 4.724 4.120 -0.000 0.000 0.309 6289 V C -0.581 175.521 176.094 0.013 0.000 1.148 6289 V CA -0.684 61.583 62.300 -0.054 0.000 0.990 6289 V CB 2.272 33.884 31.823 -0.351 0.000 1.039 6289 V HN 0.787 nan 8.190 nan 0.000 0.430 6290 I N 0.551 121.086 120.570 -0.058 0.000 3.191 6290 I HA 1.110 5.280 4.170 -0.000 0.000 0.313 6290 I C -0.400 175.675 176.117 -0.070 0.000 1.193 6290 I CA -0.963 60.322 61.300 -0.024 0.000 0.968 6290 I CB 2.309 40.304 38.000 -0.008 0.000 1.262 6290 I HN 0.993 nan 8.210 nan 0.000 0.456 6291 A N 1.384 124.181 122.820 -0.037 0.000 2.481 6291 A HA 0.545 4.865 4.320 -0.000 0.000 0.295 6291 A C 0.039 177.627 177.584 0.007 0.000 0.986 6291 A CA -0.040 51.977 52.037 -0.034 0.000 0.617 6291 A CB 0.182 19.153 19.000 -0.047 0.000 1.364 6291 A HN 0.930 nan 8.150 nan 0.000 0.452 6292 S N 0.530 116.253 115.700 0.039 0.000 2.325 6292 S HA 0.068 4.538 4.470 -0.000 0.000 0.213 6292 S C 1.135 175.761 174.600 0.043 0.000 1.031 6292 S CA 1.180 59.434 58.200 0.089 0.000 0.984 6292 S CB -0.924 62.394 63.200 0.197 0.000 0.939 6292 S HN 1.974 nan 8.310 nan 0.000 0.438 6293 S N 3.639 119.347 115.700 0.014 0.000 2.533 6293 S HA 0.343 4.813 4.470 -0.000 0.000 0.282 6293 S C -2.881 171.693 174.600 -0.043 0.000 1.304 6293 S CA -1.321 56.850 58.200 -0.048 0.000 1.063 6293 S CB -0.168 62.943 63.200 -0.149 0.000 0.881 6293 S HN 0.092 nan 8.310 nan 0.000 0.493 6294 P HA 0.197 nan 4.420 nan 0.000 0.260 6294 P C -2.287 174.997 177.300 -0.027 0.000 1.185 6294 P CA -0.498 62.600 63.100 -0.003 0.000 0.763 6294 P CB -0.424 31.279 31.700 0.005 0.000 0.776 6295 P HA 0.207 nan 4.420 nan 0.000 0.281 6295 P C -0.959 176.301 177.300 -0.068 0.000 1.249 6295 P CA -0.405 62.636 63.100 -0.098 0.000 0.810 6295 P CB 0.771 32.354 31.700 -0.195 0.000 1.008 6296 V N 0.998 120.844 119.914 -0.114 0.000 2.340 6296 V HA 0.555 4.675 4.120 -0.000 0.000 0.277 6296 V C -0.240 175.754 176.094 -0.167 0.000 1.017 6296 V CA -0.879 61.381 62.300 -0.068 0.000 0.820 6296 V CB 0.826 32.630 31.823 -0.031 0.000 1.028 6296 V HN 0.383 nan 8.190 nan 0.000 0.436 6297 V N 3.172 122.928 119.914 -0.264 0.000 2.973 6297 V HA 1.044 5.164 4.120 -0.000 0.000 0.314 6297 V C 0.258 176.197 176.094 -0.259 0.000 1.066 6297 V CA 0.430 62.499 62.300 -0.384 0.000 1.021 6297 V CB 1.377 32.786 31.823 -0.690 0.000 1.076 6297 V HN 1.214 nan 8.190 nan 0.000 0.462 6298 T N -0.871 113.478 114.554 -0.341 0.000 2.749 6298 T HA 0.609 4.959 4.350 -0.000 0.000 0.310 6298 T C -1.620 172.822 174.700 -0.430 0.000 1.496 6298 T CA -0.548 61.396 62.100 -0.260 0.000 1.006 6298 T CB 1.181 70.010 68.868 -0.066 0.000 1.457 6298 T HN 0.847 nan 8.240 nan 0.000 0.497 6299 W N 0.155 121.325 121.300 -0.216 0.000 2.844 6299 W HA 0.748 5.408 4.660 -0.000 0.000 0.340 6299 W C -0.348 175.858 176.519 -0.522 0.000 1.093 6299 W CA -0.267 56.991 57.345 -0.146 0.000 1.212 6299 W CB 1.486 30.854 29.460 -0.153 0.000 1.422 6299 W HN 0.925 nan 8.180 nan 0.000 0.515 6300 H N -0.078 119.101 119.070 0.182 0.000 2.933 6300 H HA 0.703 5.259 4.556 -0.000 0.000 0.310 6300 H C -1.224 174.183 175.328 0.131 0.000 1.351 6300 H CA -1.687 54.414 56.048 0.090 0.000 1.137 6300 H CB 1.973 31.751 29.762 0.025 0.000 1.853 6300 H HN 0.302 nan 8.280 nan 0.000 0.539 6301 K N 0.131 120.645 120.400 0.190 0.000 2.598 6301 K HA 0.227 4.547 4.320 -0.000 0.000 0.271 6301 K C -1.370 175.228 176.600 -0.004 0.000 0.947 6301 K CA -0.502 55.800 56.287 0.025 0.000 0.854 6301 K CB 1.432 33.870 32.500 -0.103 0.000 1.401 6301 K HN 0.646 nan 8.250 nan 0.000 0.415 6302 D N 2.569 122.935 120.400 -0.056 0.000 2.701 6302 D HA -0.182 4.458 4.640 -0.000 0.000 0.235 6302 D C -0.756 175.544 176.300 0.001 0.000 1.155 6302 D CA 2.003 55.983 54.000 -0.033 0.000 0.649 6302 D CB -0.825 39.956 40.800 -0.033 0.000 1.050 6302 D HN 0.805 nan 8.370 nan 0.000 0.425 6303 D N -0.941 119.466 120.400 0.012 0.000 2.723 6303 D HA -0.242 4.398 4.640 -0.000 0.000 0.236 6303 D C 0.027 176.364 176.300 0.062 0.000 1.138 6303 D CA 1.204 55.218 54.000 0.023 0.000 0.676 6303 D CB -0.459 40.341 40.800 0.001 0.000 1.069 6303 D HN 0.633 nan 8.370 nan 0.000 0.430 6304 R N 0.567 121.133 120.500 0.110 0.000 2.508 6304 R HA 0.218 4.558 4.340 -0.000 0.000 0.283 6304 R C -0.599 175.765 176.300 0.105 0.000 1.120 6304 R CA -0.655 55.507 56.100 0.103 0.000 0.958 6304 R CB 1.349 31.684 30.300 0.059 0.000 1.215 6304 R HN 0.109 nan 8.270 nan 0.000 0.427 6305 E N 5.201 125.445 120.200 0.074 0.000 2.392 6305 E HA 0.129 4.479 4.350 -0.000 0.000 0.264 6305 E C -1.014 175.485 176.600 -0.169 0.000 1.024 6305 E CA -0.250 56.008 56.400 -0.238 0.000 0.903 6305 E CB 0.679 30.269 29.700 -0.183 0.000 0.963 6305 E HN 0.441 nan 8.360 nan 0.000 0.432 6306 L N 4.139 125.212 121.223 -0.249 0.000 2.298 6306 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 6306 L C 0.345 177.157 176.870 -0.098 0.000 1.013 6306 L CA -0.990 53.734 54.840 -0.194 0.000 0.824 6306 L CB 1.158 42.901 42.059 -0.526 0.000 1.221 6306 L HN 0.323 nan 8.230 nan 0.000 0.418 6307 K N 2.006 122.407 120.400 0.002 0.000 2.126 6307 K HA 0.197 4.517 4.320 -0.000 0.000 0.257 6307 K C -0.112 176.538 176.600 0.083 0.000 1.007 6307 K CA -0.517 55.790 56.287 0.033 0.000 0.928 6307 K CB 1.119 33.642 32.500 0.039 0.000 1.013 6307 K HN 0.574 nan 8.250 nan 0.000 0.473 6308 Q N 2.078 121.921 119.800 0.073 0.000 2.256 6308 Q HA -0.009 4.331 4.340 -0.000 0.000 0.281 6308 Q C -0.288 175.766 176.000 0.090 0.000 1.162 6308 Q CA 0.539 56.393 55.803 0.085 0.000 0.943 6308 Q CB 0.170 28.948 28.738 0.068 0.000 1.195 6308 Q HN 0.677 nan 8.270 nan 0.000 0.403 6309 S N 0.133 115.900 115.700 0.112 0.000 2.911 6309 S HA 0.391 4.861 4.470 -0.000 0.000 0.319 6309 S C 0.877 175.496 174.600 0.030 0.000 1.154 6309 S CA -0.737 57.508 58.200 0.075 0.000 0.857 6309 S CB 0.669 63.930 63.200 0.101 0.000 1.279 6309 S HN 0.250 nan 8.310 nan 0.000 0.593 6310 V N 1.117 121.023 119.914 -0.014 0.000 2.626 6310 V HA 0.041 4.161 4.120 -0.000 0.000 0.252 6310 V C 2.222 178.238 176.094 -0.131 0.000 1.067 6310 V CA 2.095 64.364 62.300 -0.053 0.000 1.081 6310 V CB -0.885 30.909 31.823 -0.047 0.000 0.686 6310 V HN 0.908 nan 8.190 nan 0.000 0.468 6311 K N -1.002 119.244 120.400 -0.256 0.000 2.387 6311 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 6311 K C -0.855 175.277 176.600 -0.781 0.000 1.022 6311 K CA 0.011 55.979 56.287 -0.532 0.000 1.128 6311 K CB 0.319 32.400 32.500 -0.698 0.000 0.853 6311 K HN 0.442 nan 8.250 nan 0.000 0.523 6312 Y N -0.280 119.997 120.300 -0.039 0.000 2.362 6312 Y HA 0.363 4.913 4.550 -0.000 0.000 0.326 6312 Y C -0.825 175.030 175.900 -0.075 0.000 1.083 6312 Y CA -1.013 57.044 58.100 -0.071 0.000 1.073 6312 Y CB 1.602 40.029 38.460 -0.055 0.000 1.211 6312 Y HN -0.136 nan 8.280 nan 0.000 0.433 6313 M N 3.575 123.204 119.600 0.049 0.000 2.311 6313 M HA 0.481 4.961 4.480 -0.000 0.000 0.325 6313 M C -0.535 175.734 176.300 -0.052 0.000 1.061 6313 M CA -0.289 55.012 55.300 0.002 0.000 0.957 6313 M CB 1.577 34.172 32.600 -0.008 0.000 1.646 6313 M HN 0.470 nan 8.290 nan 0.000 0.434 6314 K N 2.408 122.788 120.400 -0.034 0.000 2.240 6314 K HA 0.738 5.058 4.320 -0.000 0.000 0.237 6314 K C -0.635 175.957 176.600 -0.012 0.000 1.027 6314 K CA -1.021 55.243 56.287 -0.039 0.000 0.937 6314 K CB 1.265 33.735 32.500 -0.049 0.000 1.171 6314 K HN 0.546 nan 8.250 nan 0.000 0.479 6315 R N 0.889 121.400 120.500 0.020 0.000 2.522 6315 R HA 0.184 4.524 4.340 -0.000 0.000 0.283 6315 R C -0.465 175.833 176.300 -0.003 0.000 1.074 6315 R CA -0.466 55.659 56.100 0.041 0.000 0.925 6315 R CB 0.840 31.201 30.300 0.102 0.000 1.205 6315 R HN 0.682 nan 8.270 nan 0.000 0.436 6316 Y N 0.503 120.792 120.300 -0.019 0.000 2.497 6316 Y HA -0.035 4.515 4.550 -0.000 0.000 0.265 6316 Y C 1.171 176.905 175.900 -0.278 0.000 1.111 6316 Y CA -0.303 57.720 58.100 -0.128 0.000 1.288 6316 Y CB 0.204 38.644 38.460 -0.033 0.000 1.082 6316 Y HN 0.582 nan 8.280 nan 0.000 0.536 6317 N N 1.622 120.285 118.700 -0.062 0.000 2.357 6317 N HA 0.000 4.740 4.740 -0.000 0.000 0.257 6317 N C 1.225 176.616 175.510 -0.199 0.000 1.250 6317 N CA 1.127 54.112 53.050 -0.109 0.000 0.862 6317 N CB 0.487 38.934 38.487 -0.067 0.000 1.066 6317 N HN 0.451 nan 8.380 nan 0.000 0.468 6318 G N 3.994 112.720 108.800 -0.124 0.000 2.679 6318 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.373 6318 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.373 6318 G C 0.760 175.579 174.900 -0.134 0.000 1.114 6318 G CA 1.522 46.568 45.100 -0.090 0.000 0.898 6318 G HN 0.891 nan 8.290 nan 0.000 0.648 6319 N N 1.251 119.917 118.700 -0.057 0.000 2.353 6319 N HA 0.203 4.943 4.740 -0.000 0.000 0.185 6319 N C -0.278 175.252 175.510 0.034 0.000 1.098 6319 N CA 0.760 53.840 53.050 0.051 0.000 0.872 6319 N CB 0.349 38.882 38.487 0.077 0.000 0.970 6319 N HN 0.468 nan 8.380 nan 0.000 0.467 6320 D N 0.786 121.107 120.400 -0.131 0.000 2.313 6320 D HA 0.089 4.729 4.640 -0.000 0.000 0.239 6320 D C -0.786 175.400 176.300 -0.189 0.000 1.142 6320 D CA 0.077 54.038 54.000 -0.064 0.000 0.847 6320 D CB 0.702 41.454 40.800 -0.079 0.000 1.082 6320 D HN 0.173 nan 8.370 nan 0.000 0.480 6321 Y N 0.392 120.773 120.300 0.136 0.000 2.393 6321 Y HA 0.539 5.089 4.550 -0.000 0.000 0.341 6321 Y C 0.877 176.983 175.900 0.343 0.000 0.988 6321 Y CA -0.691 57.529 58.100 0.200 0.000 1.078 6321 Y CB 2.565 41.123 38.460 0.164 0.000 1.203 6321 Y HN 0.368 nan 8.280 nan 0.000 0.453 6322 G N 2.238 111.316 108.800 0.463 0.000 2.659 6322 G HA2 0.607 4.567 3.960 -0.000 0.000 0.296 6322 G HA3 0.607 4.567 3.960 -0.000 0.000 0.296 6322 G C -2.470 172.496 174.900 0.110 0.000 1.369 6322 G CA -0.668 44.705 45.100 0.455 0.000 0.937 6322 G HN 0.477 nan 8.290 nan 0.000 0.485 6323 L N 0.066 121.118 121.223 -0.284 0.000 2.301 6323 L HA 0.953 5.293 4.340 -0.000 0.000 0.264 6323 L C -0.099 176.530 176.870 -0.401 0.000 1.016 6323 L CA -0.305 54.177 54.840 -0.597 0.000 0.821 6323 L CB 2.449 43.634 42.059 -1.456 0.000 1.346 6323 L HN 0.666 nan 8.230 nan 0.000 0.429 6324 T N 3.141 117.518 114.554 -0.295 0.000 2.883 6324 T HA 0.658 5.008 4.350 -0.000 0.000 0.301 6324 T C -0.788 173.843 174.700 -0.116 0.000 1.158 6324 T CA -0.279 61.697 62.100 -0.207 0.000 1.007 6324 T CB 1.519 70.317 68.868 -0.116 0.000 1.186 6324 T HN 0.471 nan 8.240 nan 0.000 0.499 6325 I N 2.242 122.739 120.570 -0.122 0.000 2.714 6325 I HA 0.215 4.385 4.170 -0.000 0.000 0.274 6325 I C 1.029 177.079 176.117 -0.112 0.000 1.261 6325 I CA -0.782 60.475 61.300 -0.071 0.000 1.008 6325 I CB 0.704 38.695 38.000 -0.014 0.000 1.289 6325 I HN 0.589 nan 8.210 nan 0.000 0.529 6326 N N 2.314 120.939 118.700 -0.125 0.000 2.106 6326 N HA -0.210 4.530 4.740 -0.000 0.000 0.200 6326 N C 1.082 176.539 175.510 -0.088 0.000 1.014 6326 N CA 1.624 54.612 53.050 -0.103 0.000 0.891 6326 N CB 0.066 38.493 38.487 -0.101 0.000 1.069 6326 N HN 0.474 nan 8.380 nan 0.000 0.490 6327 R N 1.296 121.735 120.500 -0.101 0.000 2.445 6327 R HA 0.339 4.679 4.340 -0.000 0.000 0.308 6327 R C -1.465 174.802 176.300 -0.054 0.000 0.961 6327 R CA -0.380 55.679 56.100 -0.067 0.000 0.862 6327 R CB 1.432 31.696 30.300 -0.061 0.000 1.144 6327 R HN -0.182 nan 8.270 nan 0.000 0.447 6328 V N 6.220 126.111 119.914 -0.037 0.000 2.277 6328 V HA 0.274 4.394 4.120 -0.000 0.000 0.269 6328 V C 0.376 176.454 176.094 -0.026 0.000 1.036 6328 V CA -0.556 61.730 62.300 -0.024 0.000 0.821 6328 V CB 0.934 32.735 31.823 -0.037 0.000 1.052 6328 V HN 0.641 nan 8.190 nan 0.000 0.462 6329 K N 2.448 122.847 120.400 -0.002 0.000 2.318 6329 K HA 0.444 4.764 4.320 -0.000 0.000 0.243 6329 K C 1.566 178.164 176.600 -0.004 0.000 1.047 6329 K CA 0.155 56.444 56.287 0.002 0.000 0.937 6329 K CB 0.503 33.013 32.500 0.017 0.000 1.225 6329 K HN 0.548 nan 8.250 nan 0.000 0.506 6330 G N 0.697 109.496 108.800 -0.003 0.000 2.434 6330 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.214 6330 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.214 6330 G C 0.726 175.632 174.900 0.009 0.000 1.202 6330 G CA 0.903 45.999 45.100 -0.007 0.000 0.788 6330 G HN 0.622 nan 8.290 nan 0.000 0.539 6331 D N 1.446 121.857 120.400 0.018 0.000 2.157 6331 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 6331 D C 1.789 178.114 176.300 0.041 0.000 1.004 6331 D CA 1.337 55.351 54.000 0.023 0.000 0.854 6331 D CB -0.620 40.199 40.800 0.032 0.000 0.936 6331 D HN 0.179 nan 8.370 nan 0.000 0.446 6332 D N 0.113 120.557 120.400 0.074 0.000 2.397 6332 D HA -0.152 4.488 4.640 -0.000 0.000 0.219 6332 D C 1.680 178.092 176.300 0.187 0.000 0.975 6332 D CA 0.578 54.668 54.000 0.149 0.000 0.940 6332 D CB -0.163 40.722 40.800 0.141 0.000 0.884 6332 D HN 0.340 nan 8.370 nan 0.000 0.505 6333 K N 0.475 120.933 120.400 0.097 0.000 1.965 6333 K HA -0.101 4.219 4.320 -0.000 0.000 0.218 6333 K C 1.303 177.962 176.600 0.099 0.000 1.048 6333 K CA 1.400 57.744 56.287 0.096 0.000 0.960 6333 K CB -0.524 31.987 32.500 0.018 0.000 0.732 6333 K HN 0.173 nan 8.250 nan 0.000 0.444 6334 G N 0.953 109.725 108.800 -0.047 0.000 2.869 6334 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.780 6334 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.780 6334 G C -0.666 174.126 174.900 -0.180 0.000 1.407 6334 G CA 0.476 45.459 45.100 -0.196 0.000 0.963 6334 G HN 0.627 nan 8.290 nan 0.000 0.551 6335 E N 0.108 120.180 120.200 -0.214 0.000 2.101 6335 E HA 0.472 4.822 4.350 -0.000 0.000 0.260 6335 E C -0.712 175.773 176.600 -0.193 0.000 0.897 6335 E CA -0.679 55.694 56.400 -0.045 0.000 0.744 6335 E CB 0.384 30.122 29.700 0.064 0.000 1.140 6335 E HN 0.401 nan 8.360 nan 0.000 0.419 6336 Y N 1.676 122.006 120.300 0.049 0.000 2.301 6336 Y HA 0.253 4.803 4.550 -0.000 0.000 0.328 6336 Y C 0.744 176.625 175.900 -0.032 0.000 1.242 6336 Y CA -0.080 58.027 58.100 0.011 0.000 1.323 6336 Y CB 1.557 39.987 38.460 -0.050 0.000 1.266 6336 Y HN 0.346 nan 8.280 nan 0.000 0.527 6337 T N -0.607 114.064 114.554 0.195 0.000 2.921 6337 T HA 0.677 5.027 4.350 -0.000 0.000 0.297 6337 T C -1.272 173.454 174.700 0.043 0.000 1.013 6337 T CA -0.963 61.164 62.100 0.045 0.000 0.990 6337 T CB 0.869 69.714 68.868 -0.039 0.000 1.023 6337 T HN 0.357 nan 8.240 nan 0.000 0.447 6338 V N 2.340 122.148 119.914 -0.176 0.000 2.417 6338 V HA 0.607 4.727 4.120 -0.000 0.000 0.291 6338 V C 0.092 176.065 176.094 -0.202 0.000 1.024 6338 V CA -1.082 60.992 62.300 -0.377 0.000 0.861 6338 V CB 1.213 32.633 31.823 -0.671 0.000 0.985 6338 V HN 0.835 nan 8.190 nan 0.000 0.436 6339 R N 2.763 123.149 120.500 -0.190 0.000 2.393 6339 R HA 0.799 5.139 4.340 -0.000 0.000 0.310 6339 R C -0.418 175.768 176.300 -0.189 0.000 0.968 6339 R CA -0.476 55.540 56.100 -0.140 0.000 0.867 6339 R CB 2.125 32.339 30.300 -0.144 0.000 1.124 6339 R HN 0.885 nan 8.270 nan 0.000 0.450 6340 A N 3.560 126.266 122.820 -0.189 0.000 2.323 6340 A HA 0.328 4.648 4.320 -0.000 0.000 0.305 6340 A C -0.722 176.740 177.584 -0.204 0.000 1.275 6340 A CA -0.620 51.232 52.037 -0.309 0.000 0.804 6340 A CB 0.653 19.336 19.000 -0.529 0.000 1.152 6340 A HN 0.644 nan 8.150 nan 0.000 0.487 6341 K N 2.937 123.236 120.400 -0.168 0.000 2.413 6341 K HA 0.447 4.767 4.320 -0.000 0.000 0.257 6341 K C -0.985 175.546 176.600 -0.116 0.000 0.946 6341 K CA -0.517 55.699 56.287 -0.118 0.000 0.823 6341 K CB 0.961 33.410 32.500 -0.086 0.000 1.109 6341 K HN 0.903 nan 8.250 nan 0.000 0.427 6342 N N 1.255 119.890 118.700 -0.109 0.000 2.455 6342 N HA 0.072 4.812 4.740 -0.000 0.000 0.278 6342 N C 0.369 175.777 175.510 -0.170 0.000 1.291 6342 N CA -0.654 52.313 53.050 -0.138 0.000 0.780 6342 N CB 1.317 39.719 38.487 -0.143 0.000 1.520 6342 N HN 0.379 nan 8.380 nan 0.000 0.486 6343 S N -0.519 115.007 115.700 -0.289 0.000 2.441 6343 S HA -0.269 4.201 4.470 -0.000 0.000 0.249 6343 S C 0.843 175.272 174.600 -0.285 0.000 1.097 6343 S CA 1.885 59.853 58.200 -0.386 0.000 1.080 6343 S CB -0.567 62.234 63.200 -0.665 0.000 0.914 6343 S HN 0.585 nan 8.310 nan 0.000 0.464 6344 Y N 0.088 120.359 120.300 -0.048 0.000 2.476 6344 Y HA 0.450 5.000 4.550 -0.000 0.000 0.283 6344 Y C 1.577 177.450 175.900 -0.044 0.000 1.109 6344 Y CA 0.082 58.155 58.100 -0.045 0.000 1.246 6344 Y CB -0.289 38.141 38.460 -0.049 0.000 1.068 6344 Y HN 0.404 nan 8.280 nan 0.000 0.552 6345 G N -1.379 107.472 108.800 0.085 0.000 2.435 6345 G HA2 0.449 4.409 3.960 -0.000 0.000 0.296 6345 G HA3 0.449 4.409 3.960 -0.000 0.000 0.296 6345 G C -1.417 173.475 174.900 -0.014 0.000 1.240 6345 G CA -0.625 44.495 45.100 0.033 0.000 0.872 6345 G HN -0.177 nan 8.290 nan 0.000 0.480 6346 T N 1.254 115.795 114.554 -0.022 0.000 3.109 6346 T HA 0.612 4.962 4.350 -0.000 0.000 0.311 6346 T C -1.106 173.579 174.700 -0.025 0.000 1.011 6346 T CA -0.810 61.264 62.100 -0.042 0.000 1.026 6346 T CB 1.979 70.819 68.868 -0.046 0.000 1.047 6346 T HN 0.429 nan 8.240 nan 0.000 0.448 6347 K N 2.427 122.819 120.400 -0.013 0.000 2.259 6347 K HA 0.694 5.014 4.320 -0.000 0.000 0.249 6347 K C -0.313 176.408 176.600 0.201 0.000 0.942 6347 K CA -0.739 55.607 56.287 0.099 0.000 0.816 6347 K CB 2.550 35.136 32.500 0.142 0.000 1.155 6347 K HN 0.709 nan 8.250 nan 0.000 0.428 6348 E N 1.098 121.377 120.200 0.133 0.000 2.367 6348 E HA 0.415 4.765 4.350 -0.000 0.000 0.273 6348 E C -0.862 175.555 176.600 -0.306 0.000 0.903 6348 E CA -0.903 55.477 56.400 -0.033 0.000 0.764 6348 E CB 2.267 31.904 29.700 -0.105 0.000 1.252 6348 E HN 0.226 nan 8.360 nan 0.000 0.446 6349 E N 1.224 121.122 120.200 -0.503 0.000 2.340 6349 E HA 0.561 4.911 4.350 -0.000 0.000 0.273 6349 E C -0.945 175.453 176.600 -0.337 0.000 0.891 6349 E CA -0.600 55.458 56.400 -0.570 0.000 0.757 6349 E CB 2.360 31.475 29.700 -0.976 0.000 1.231 6349 E HN 0.424 nan 8.360 nan 0.000 0.439 6350 I N 0.422 120.842 120.570 -0.250 0.000 3.042 6350 I HA 0.601 4.771 4.170 -0.000 0.000 0.310 6350 I C -0.613 175.425 176.117 -0.132 0.000 1.117 6350 I CA -1.340 59.866 61.300 -0.157 0.000 1.003 6350 I CB 2.505 40.428 38.000 -0.128 0.000 1.228 6350 I HN 0.194 nan 8.210 nan 0.000 0.443 6351 V N 4.390 124.272 119.914 -0.054 0.000 2.697 6351 V HA 0.382 4.502 4.120 -0.000 0.000 0.296 6351 V C -1.338 174.892 176.094 0.227 0.000 1.140 6351 V CA -0.616 61.693 62.300 0.015 0.000 0.921 6351 V CB 1.566 33.374 31.823 -0.025 0.000 1.036 6351 V HN 0.572 nan 8.190 nan 0.000 0.438 6352 F N 7.138 127.159 119.950 0.119 0.000 2.661 6352 F HA 0.605 5.132 4.527 -0.000 0.000 0.356 6352 F C -0.208 175.712 175.800 0.201 0.000 1.244 6352 F CA -2.079 55.997 58.000 0.127 0.000 1.290 6352 F CB -0.558 38.474 39.000 0.053 0.000 1.677 6352 F HN 0.608 nan 8.300 nan 0.000 0.649 6353 L N 2.803 124.372 121.223 0.577 0.000 2.640 6353 L HA 0.110 4.450 4.340 -0.000 0.000 0.280 6353 L C -0.431 176.626 176.870 0.313 0.000 1.229 6353 L CA 0.575 55.726 54.840 0.518 0.000 0.919 6353 L CB -0.173 42.299 42.059 0.688 0.000 1.168 6353 L HN 0.640 nan 8.230 nan 0.000 0.496 6354 N N 4.331 123.156 118.700 0.208 0.000 2.444 6354 N HA 0.328 5.068 4.740 -0.000 0.000 0.262 6354 N C -1.274 174.259 175.510 0.038 0.000 0.974 6354 N CA -0.423 52.674 53.050 0.078 0.000 0.933 6354 N CB 1.288 39.802 38.487 0.046 0.000 1.137 6354 N HN 0.537 nan 8.380 nan 0.000 0.498 6355 V N 2.662 122.584 119.914 0.014 0.000 2.465 6355 V HA 0.321 4.441 4.120 -0.000 0.000 0.279 6355 V C 0.434 176.505 176.094 -0.039 0.000 1.045 6355 V CA -0.546 61.745 62.300 -0.014 0.000 0.938 6355 V CB 1.337 33.151 31.823 -0.016 0.000 0.986 6355 V HN 0.799 nan 8.190 nan 0.000 0.467 6356 T N 3.372 117.897 114.554 -0.048 0.000 3.016 6356 T HA 0.429 4.779 4.350 -0.000 0.000 0.335 6356 T C 0.056 174.712 174.700 -0.075 0.000 1.176 6356 T CA -0.659 61.413 62.100 -0.048 0.000 0.987 6356 T CB 0.099 68.945 68.868 -0.035 0.000 1.073 6356 T HN 0.624 nan 8.240 nan 0.000 0.547 6357 R N 1.688 122.144 120.500 -0.073 0.000 2.862 6357 R HA -0.022 4.318 4.340 -0.000 0.000 0.267 6357 R C 0.930 177.189 176.300 -0.067 0.000 0.995 6357 R CA 0.432 56.475 56.100 -0.096 0.000 1.140 6357 R CB 0.110 30.383 30.300 -0.045 0.000 1.031 6357 R HN 0.766 nan 8.270 nan 0.000 0.459 6358 H N -0.883 118.183 119.070 -0.007 0.000 2.561 6358 H HA 0.060 4.616 4.556 -0.000 0.000 0.278 6358 H C 0.126 175.450 175.328 -0.007 0.000 1.014 6358 H CA 0.754 56.798 56.048 -0.007 0.000 1.211 6358 H CB 0.365 30.123 29.762 -0.007 0.000 1.365 6358 H HN 0.305 nan 8.280 nan 0.000 0.594 6359 S N -0.974 114.789 115.700 0.105 0.000 2.752 6359 S HA 0.321 4.791 4.470 -0.000 0.000 0.284 6359 S C -1.679 172.939 174.600 0.029 0.000 1.189 6359 S CA -0.900 57.336 58.200 0.060 0.000 0.835 6359 S CB 2.233 65.466 63.200 0.056 0.000 1.192 6359 S HN 0.331 nan 8.310 nan 0.000 0.506 6360 E N 1.294 121.506 120.200 0.019 0.000 2.311 6360 E HA 0.553 4.903 4.350 -0.000 0.000 0.281 6360 E C -2.466 174.137 176.600 0.006 0.000 0.905 6360 E CA -1.166 55.240 56.400 0.009 0.000 0.778 6360 E CB 0.999 30.703 29.700 0.007 0.000 1.240 6360 E HN 0.486 nan 8.360 nan 0.000 0.410 6361 P HA 0.000 nan 4.420 nan 0.000 0.216 6361 P CA 0.000 63.101 63.100 0.001 0.000 0.800 6361 P CB 0.000 31.700 31.700 -0.001 0.000 0.726