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 3dls_1_A DATA FIRST_RESID 982 DATA SEQUENCE AVELEGLAAC EGEYSQKYST MSPLGSGAFG FVWTAVDKEK NKEVVVKFIK DATA SEQUENCE KEKVLEDCWI EDPKLGKVTL EIAILSRVEH ANIIKVLDIF ENQGFFQLVM DATA SEQUENCE EKHGSGLDLF AFIDRHPRLD EPLASYIFRQ LVSAVGYLRL KDIIHRDIKD DATA SEQUENCE ENIVIAEDFT IKLIDFGSAA YLERGKLFYT FCGTIEYCAP EVLMGNPYRG DATA SEQUENCE PELEMWSLGV TLYTLVFEEN PFCELEETVE AAIHPPYLVS KELMSLVSGL DATA SEQUENCE LQPVPERRTT LEKLVTDPWV TQPVNLADYT WEEVF 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 982 A HA 0.000 nan 4.320 nan 0.000 0.244 982 A C 0.000 177.601 177.584 0.028 0.000 1.274 982 A CA 0.000 52.051 52.037 0.024 0.000 0.836 982 A CB 0.000 19.011 19.000 0.019 0.000 0.831 983 V N 2.788 122.716 119.914 0.023 0.000 2.485 983 V HA 0.109 4.233 4.120 0.007 0.000 0.287 983 V C 0.754 176.859 176.094 0.018 0.000 1.022 983 V CA 0.372 62.687 62.300 0.024 0.000 1.067 983 V CB 0.315 32.140 31.823 0.003 0.000 0.967 983 V HN 0.868 nan 8.190 nan 0.000 0.479 984 E N 3.821 124.044 120.200 0.039 0.000 2.366 984 E HA 0.320 4.674 4.350 0.007 0.000 0.266 984 E C -0.899 175.708 176.600 0.011 0.000 1.051 984 E CA -0.691 55.731 56.400 0.038 0.000 0.884 984 E CB 0.942 30.686 29.700 0.073 0.000 1.006 984 E HN 0.329 nan 8.360 nan 0.000 0.417 985 L N 3.483 124.699 121.223 -0.011 0.000 2.335 985 L HA 0.156 4.500 4.340 0.007 0.000 0.268 985 L C 0.144 176.975 176.870 -0.066 0.000 1.037 985 L CA 0.226 55.031 54.840 -0.058 0.000 0.895 985 L CB 0.720 42.741 42.059 -0.064 0.000 1.266 985 L HN 0.536 nan 8.230 nan 0.000 0.439 986 E N 1.584 121.729 120.200 -0.092 0.000 2.585 986 E HA 0.198 4.552 4.350 0.007 0.000 0.206 986 E C 1.574 177.970 176.600 -0.339 0.000 1.007 986 E CA 0.061 56.394 56.400 -0.111 0.000 1.028 986 E CB 0.978 30.733 29.700 0.091 0.000 1.087 986 E HN 0.746 nan 8.360 nan 0.000 0.455 987 G N 1.128 109.727 108.800 -0.336 0.000 2.440 987 G HA2 -0.243 3.722 3.960 0.007 0.000 0.218 987 G HA3 -0.243 3.722 3.960 0.007 0.000 0.218 987 G C 1.565 176.226 174.900 -0.399 0.000 1.154 987 G CA 0.528 45.361 45.100 -0.445 0.000 0.767 987 G HN 0.198 nan 8.290 nan 0.000 0.552 988 L N 0.439 121.509 121.223 -0.255 0.000 2.007 988 L HA 0.077 4.422 4.340 0.007 0.000 0.205 988 L C 3.382 180.150 176.870 -0.170 0.000 1.073 988 L CA 0.998 55.733 54.840 -0.174 0.000 0.744 988 L CB -0.585 41.413 42.059 -0.102 0.000 0.898 988 L HN 0.255 nan 8.230 nan 0.000 0.435 989 A N 0.090 122.824 122.820 -0.144 0.000 2.024 989 A HA -0.149 4.175 4.320 0.007 0.000 0.220 989 A C 2.433 179.892 177.584 -0.208 0.000 1.164 989 A CA 1.681 53.684 52.037 -0.057 0.000 0.643 989 A CB -0.647 18.413 19.000 0.101 0.000 0.806 989 A HN 0.436 nan 8.150 nan 0.000 0.451 990 A N -1.836 120.547 122.820 -0.728 0.000 2.014 990 A HA -0.043 4.281 4.320 0.007 0.000 0.218 990 A C 2.032 179.374 177.584 -0.402 0.000 1.163 990 A CA 1.579 52.899 52.037 -1.194 0.000 0.652 990 A CB -0.685 17.262 19.000 -1.755 0.000 0.808 990 A HN 0.585 nan 8.150 nan 0.000 0.449 991 C N -0.537 118.616 119.300 -0.246 0.000 2.935 991 C HA 0.220 4.684 4.460 0.007 0.000 0.308 991 C C 1.048 176.159 174.990 0.202 0.000 1.263 991 C CA 0.041 59.117 59.018 0.097 0.000 1.738 991 C CB -0.804 26.973 27.740 0.062 0.000 2.237 991 C HN 0.785 nan 8.230 nan 0.000 0.600 992 E N 1.104 121.348 120.200 0.072 0.000 2.415 992 E HA 0.438 4.792 4.350 0.007 0.000 0.262 992 E C 0.785 177.438 176.600 0.089 0.000 1.038 992 E CA 1.100 57.540 56.400 0.066 0.000 0.921 992 E CB 0.107 29.824 29.700 0.028 0.000 0.950 992 E HN 0.538 nan 8.360 nan 0.000 0.438 993 G N 2.436 111.261 108.800 0.042 0.000 2.475 993 G HA2 -0.341 3.623 3.960 0.007 0.000 0.223 993 G HA3 -0.341 3.623 3.960 0.007 0.000 0.223 993 G C 0.657 175.522 174.900 -0.059 0.000 1.201 993 G CA 0.036 45.143 45.100 0.011 0.000 0.962 993 G HN 0.715 nan 8.290 nan 0.000 0.586 994 E N -0.890 119.231 120.200 -0.131 0.000 2.204 994 E HA -0.139 4.216 4.350 0.007 0.000 0.195 994 E C 2.052 178.225 176.600 -0.711 0.000 0.990 994 E CA 1.801 57.966 56.400 -0.391 0.000 0.821 994 E CB -0.149 29.303 29.700 -0.413 0.000 0.750 994 E HN 0.539 nan 8.360 nan 0.000 0.477 995 Y N 0.694 120.648 120.300 -0.576 0.000 2.145 995 Y HA -0.209 4.345 4.550 0.007 0.000 0.286 995 Y C 2.357 178.235 175.900 -0.037 0.000 1.145 995 Y CA 2.020 59.971 58.100 -0.248 0.000 1.148 995 Y CB -0.397 38.165 38.460 0.170 0.000 0.981 995 Y HN -0.062 nan 8.280 nan 0.000 0.507 996 S N 0.394 116.021 115.700 -0.121 0.000 2.447 996 S HA -0.165 4.309 4.470 0.007 0.000 0.233 996 S C 1.719 176.199 174.600 -0.199 0.000 1.006 996 S CA 1.046 59.151 58.200 -0.158 0.000 0.957 996 S CB -0.219 62.979 63.200 -0.003 0.000 0.773 996 S HN 0.574 nan 8.310 nan 0.000 0.507 997 Q N 0.790 120.459 119.800 -0.218 0.000 2.230 997 Q HA 0.031 4.375 4.340 0.007 0.000 0.202 997 Q C 1.890 177.739 176.000 -0.251 0.000 0.963 997 Q CA 0.975 56.658 55.803 -0.200 0.000 0.866 997 Q CB -0.088 28.541 28.738 -0.182 0.000 0.931 997 Q HN 0.469 nan 8.270 nan 0.000 0.452 998 K N -1.055 119.128 120.400 -0.361 0.000 2.329 998 K HA 0.084 4.408 4.320 0.007 0.000 0.198 998 K C -0.308 175.891 176.600 -0.668 0.000 1.085 998 K CA 0.228 56.208 56.287 -0.511 0.000 0.961 998 K CB 0.737 32.898 32.500 -0.564 0.000 0.971 998 K HN -0.040 nan 8.250 nan 0.000 0.502 999 Y N -0.505 119.562 120.300 -0.387 0.000 2.462 999 Y HA 0.371 4.925 4.550 0.007 0.000 0.346 999 Y C -0.504 175.174 175.900 -0.371 0.000 0.976 999 Y CA -1.060 56.813 58.100 -0.378 0.000 1.044 999 Y CB 2.237 40.410 38.460 -0.478 0.000 1.230 999 Y HN -0.243 nan 8.280 nan 0.000 0.455 1000 S N 1.191 116.904 115.700 0.021 0.000 2.449 1000 S HA 0.475 4.949 4.470 0.007 0.000 0.310 1000 S C -0.730 173.966 174.600 0.159 0.000 1.096 1000 S CA -0.621 57.611 58.200 0.053 0.000 1.095 1000 S CB 0.390 63.610 63.200 0.034 0.000 1.007 1000 S HN 0.634 nan 8.310 nan 0.000 0.474 1001 T N 6.811 121.486 114.554 0.202 0.000 2.851 1001 T HA 0.218 4.572 4.350 0.007 0.000 0.298 1001 T C 1.025 175.841 174.700 0.194 0.000 0.977 1001 T CA -0.460 61.781 62.100 0.235 0.000 1.126 1001 T CB 0.714 69.665 68.868 0.138 0.000 0.916 1001 T HN 0.558 nan 8.240 nan 0.000 0.529 1002 M N 1.583 121.364 119.600 0.302 0.000 2.961 1002 M HA 0.235 4.719 4.480 0.007 0.000 0.224 1002 M C 0.956 177.518 176.300 0.435 0.000 1.418 1002 M CA 0.454 55.925 55.300 0.286 0.000 1.341 1002 M CB -0.890 31.837 32.600 0.212 0.000 1.087 1002 M HN 0.648 nan 8.290 nan 0.000 0.554 1003 S N 0.916 116.900 115.700 0.474 0.000 2.569 1003 S HA 0.726 5.200 4.470 0.007 0.000 0.280 1003 S C -2.889 171.757 174.600 0.077 0.000 1.111 1003 S CA -1.379 57.016 58.200 0.325 0.000 0.887 1003 S CB 2.212 65.489 63.200 0.128 0.000 1.095 1003 S HN 0.013 nan 8.310 nan 0.000 0.476 1004 P HA 0.367 nan 4.420 nan 0.000 0.274 1004 P C -0.951 176.063 177.300 -0.478 0.000 1.237 1004 P CA -0.540 61.912 63.100 -1.080 0.000 0.793 1004 P CB 0.652 31.605 31.700 -1.245 0.000 0.977 1005 L N 0.683 121.679 121.223 -0.378 0.000 2.333 1005 L HA 0.560 4.904 4.340 0.007 0.000 0.269 1005 L C 1.117 177.905 176.870 -0.136 0.000 1.010 1005 L CA -0.140 54.599 54.840 -0.169 0.000 0.818 1005 L CB 1.599 43.624 42.059 -0.056 0.000 1.306 1005 L HN 0.750 nan 8.230 nan 0.000 0.430 1006 G N 1.398 110.151 108.800 -0.077 0.000 2.578 1006 G HA2 -0.178 3.787 3.960 0.007 0.000 0.275 1006 G HA3 -0.178 3.787 3.960 0.007 0.000 0.275 1006 G C 0.607 175.470 174.900 -0.063 0.000 1.271 1006 G CA 0.524 45.600 45.100 -0.040 0.000 0.941 1006 G HN 1.543 nan 8.290 nan 0.000 0.564 1007 S N -2.300 113.369 115.700 -0.052 0.000 4.105 1007 S HA 0.289 4.763 4.470 0.007 0.000 0.539 1007 S C 2.102 176.657 174.600 -0.074 0.000 1.658 1007 S CA 3.040 61.195 58.200 -0.074 0.000 3.958 1007 S CB -1.178 61.989 63.200 -0.055 0.000 1.434 1007 S HN 3.007 nan 8.310 nan 0.000 0.537 1008 G N -1.769 106.988 108.800 -0.072 0.000 2.761 1008 G HA2 0.784 4.748 3.960 0.007 0.000 0.296 1008 G HA3 0.784 4.748 3.960 0.007 0.000 0.296 1008 G C 0.022 174.887 174.900 -0.058 0.000 1.416 1008 G CA 1.287 46.346 45.100 -0.068 0.000 1.105 1008 G HN 2.526 nan 8.290 nan 0.000 0.565 1009 A N 1.714 124.471 122.820 -0.106 0.000 2.165 1009 A HA 0.201 4.525 4.320 0.007 0.000 0.272 1009 A C 1.009 178.628 177.584 0.058 0.000 1.398 1009 A CA 0.858 52.873 52.037 -0.037 0.000 0.726 1009 A CB -2.300 16.752 19.000 0.087 0.000 1.179 1009 A HN 2.293 nan 8.150 nan 0.000 0.327 1010 F N -1.419 118.432 119.950 -0.165 0.000 1.897 1010 F HA -0.006 4.526 4.527 0.007 0.000 0.219 1010 F C 2.166 177.836 175.800 -0.218 0.000 0.336 1010 F CA 2.409 60.243 58.000 -0.278 0.000 0.735 1010 F CB -1.357 37.555 39.000 -0.147 0.000 2.719 1010 F HN 2.634 nan 8.300 nan 0.000 0.502 1011 G N -1.650 107.216 108.800 0.111 0.000 2.337 1011 G HA2 0.004 3.968 3.960 0.007 0.000 0.197 1011 G HA3 0.004 3.968 3.960 0.007 0.000 0.197 1011 G C -0.446 174.520 174.900 0.110 0.000 1.238 1011 G CA -0.320 44.815 45.100 0.058 0.000 1.119 1011 G HN 0.875 nan 8.290 nan 0.000 0.514 1012 F N 0.406 120.570 119.950 0.357 0.000 2.695 1012 F HA 0.452 4.984 4.527 0.008 0.000 0.303 1012 F C 1.018 177.173 175.800 0.592 0.000 1.091 1012 F CA 0.023 58.334 58.000 0.518 0.000 1.300 1012 F CB 1.180 40.405 39.000 0.375 0.000 1.071 1012 F HN 0.262 nan 8.300 nan 0.000 0.578 1013 V N -0.226 119.991 119.914 0.506 0.000 2.384 1013 V HA 0.309 4.433 4.120 0.007 0.000 0.287 1013 V C -0.993 175.240 176.094 0.232 0.000 1.020 1013 V CA -0.849 61.654 62.300 0.337 0.000 0.850 1013 V CB 0.751 32.666 31.823 0.154 0.000 0.987 1013 V HN 0.106 nan 8.190 nan 0.000 0.436 1014 W N 1.170 122.551 121.300 0.135 0.000 3.031 1014 W HA 0.582 5.245 4.660 0.005 0.000 0.337 1014 W C 0.175 176.749 176.519 0.092 0.000 1.187 1014 W CA -0.675 56.756 57.345 0.143 0.000 1.166 1014 W CB 1.601 31.210 29.460 0.248 0.000 1.437 1014 W HN 0.346 nan 8.180 nan 0.000 0.551 1015 T N 2.372 117.109 114.554 0.306 0.000 2.870 1015 T HA 0.575 4.929 4.350 0.007 0.000 0.300 1015 T C 0.045 174.917 174.700 0.288 0.000 0.989 1015 T CA 0.173 62.409 62.100 0.226 0.000 1.139 1015 T CB 0.380 69.341 68.868 0.156 0.000 0.920 1015 T HN 0.488 nan 8.240 nan 0.000 0.537 1016 A N 2.862 125.812 122.820 0.217 0.000 2.430 1016 A HA 0.827 5.151 4.320 0.007 0.000 0.300 1016 A C -0.909 176.797 177.584 0.203 0.000 1.124 1016 A CA -0.720 51.457 52.037 0.233 0.000 0.766 1016 A CB 1.482 20.631 19.000 0.249 0.000 1.328 1016 A HN 0.628 nan 8.150 nan 0.000 0.424 1017 V N 1.772 121.815 119.914 0.216 0.000 2.448 1017 V HA 0.276 4.401 4.120 0.007 0.000 0.295 1017 V C -0.439 175.799 176.094 0.238 0.000 1.025 1017 V CA -0.716 61.694 62.300 0.184 0.000 0.859 1017 V CB 1.618 33.507 31.823 0.110 0.000 0.988 1017 V HN 0.932 nan 8.190 nan 0.000 0.431 1018 D N 4.106 124.652 120.400 0.243 0.000 2.358 1018 D HA 0.074 4.718 4.640 0.007 0.000 0.258 1018 D C 1.006 177.270 176.300 -0.059 0.000 1.223 1018 D CA 0.139 54.166 54.000 0.045 0.000 0.886 1018 D CB 1.086 41.936 40.800 0.083 0.000 1.120 1018 D HN 0.509 nan 8.370 nan 0.000 0.482 1019 K N 2.850 123.157 120.400 -0.154 0.000 2.009 1019 K HA -0.183 4.141 4.320 0.007 0.000 0.210 1019 K C 1.735 178.288 176.600 -0.079 0.000 1.049 1019 K CA 1.438 57.663 56.287 -0.103 0.000 0.929 1019 K CB 0.222 32.642 32.500 -0.134 0.000 0.714 1019 K HN 0.540 nan 8.250 nan 0.000 0.440 1020 E N 0.296 120.436 120.200 -0.101 0.000 2.047 1020 E HA -0.155 4.200 4.350 0.007 0.000 0.191 1020 E C 1.769 178.344 176.600 -0.041 0.000 0.987 1020 E CA 1.138 57.498 56.400 -0.068 0.000 0.799 1020 E CB 0.118 29.773 29.700 -0.075 0.000 0.752 1020 E HN 0.217 nan 8.360 nan 0.000 0.449 1021 K N -0.440 119.939 120.400 -0.036 0.000 2.418 1021 K HA 0.007 4.331 4.320 0.007 0.000 0.195 1021 K C 0.924 177.525 176.600 0.001 0.000 1.035 1021 K CA 0.656 56.937 56.287 -0.010 0.000 1.003 1021 K CB -0.238 32.264 32.500 0.003 0.000 0.793 1021 K HN 0.278 nan 8.250 nan 0.000 0.494 1022 N N 2.421 121.121 118.700 0.002 0.000 2.708 1022 N HA -0.234 4.510 4.740 0.007 0.000 0.249 1022 N C -0.112 175.417 175.510 0.031 0.000 1.097 1022 N CA 1.799 54.858 53.050 0.015 0.000 0.710 1022 N CB -2.201 36.291 38.487 0.008 0.000 1.032 1022 N HN 0.570 nan 8.380 nan 0.000 0.551 1023 K N -0.539 119.888 120.400 0.046 0.000 2.138 1023 K HA 0.564 4.888 4.320 0.007 0.000 0.263 1023 K C -0.595 176.057 176.600 0.087 0.000 0.965 1023 K CA -0.688 55.632 56.287 0.055 0.000 0.868 1023 K CB 1.724 34.255 32.500 0.052 0.000 1.083 1023 K HN 0.394 nan 8.250 nan 0.000 0.443 1024 E N 2.053 122.294 120.200 0.069 0.000 2.324 1024 E HA 0.077 4.431 4.350 0.007 0.000 0.271 1024 E C 0.005 176.654 176.600 0.081 0.000 1.028 1024 E CA -0.400 56.048 56.400 0.080 0.000 0.890 1024 E CB 1.217 30.948 29.700 0.052 0.000 1.004 1024 E HN 0.527 nan 8.360 nan 0.000 0.431 1025 V N 0.081 120.054 119.914 0.098 0.000 3.164 1025 V HA 0.655 4.779 4.120 0.007 0.000 0.313 1025 V C -0.507 175.613 176.094 0.043 0.000 1.188 1025 V CA -0.916 61.419 62.300 0.058 0.000 1.058 1025 V CB 1.999 33.844 31.823 0.038 0.000 1.110 1025 V HN 0.295 nan 8.190 nan 0.000 0.453 1026 V N 1.114 121.031 119.914 0.004 0.000 2.448 1026 V HA 0.617 4.741 4.120 0.007 0.000 0.295 1026 V C -0.282 175.779 176.094 -0.054 0.000 1.025 1026 V CA -0.463 61.847 62.300 0.017 0.000 0.859 1026 V CB 1.546 33.384 31.823 0.026 0.000 0.988 1026 V HN 0.888 nan 8.190 nan 0.000 0.431 1027 V N 5.423 125.305 119.914 -0.054 0.000 2.483 1027 V HA 0.632 4.756 4.120 0.007 0.000 0.295 1027 V C -0.296 175.674 176.094 -0.206 0.000 1.035 1027 V CA -0.589 61.565 62.300 -0.244 0.000 0.896 1027 V CB 1.764 33.313 31.823 -0.457 0.000 0.986 1027 V HN 0.927 nan 8.190 nan 0.000 0.447 1028 K N 5.977 126.229 120.400 -0.247 0.000 2.425 1028 K HA 0.484 4.808 4.320 0.007 0.000 0.259 1028 K C -1.421 175.104 176.600 -0.126 0.000 0.978 1028 K CA -0.500 55.751 56.287 -0.061 0.000 0.883 1028 K CB 0.796 33.302 32.500 0.009 0.000 1.110 1028 K HN 0.563 nan 8.250 nan 0.000 0.436 1029 F N 5.064 125.155 119.950 0.235 0.000 2.467 1029 F HA 0.304 4.836 4.527 0.008 0.000 0.362 1029 F C 0.353 176.364 175.800 0.352 0.000 1.090 1029 F CA -0.370 57.810 58.000 0.301 0.000 1.202 1029 F CB 0.577 39.756 39.000 0.297 0.000 1.113 1029 F HN 0.282 nan 8.300 nan 0.000 0.541 1030 I N 3.854 124.710 120.570 0.477 0.000 2.390 1030 I HA 0.297 4.471 4.170 0.007 0.000 0.283 1030 I C 0.122 176.324 176.117 0.142 0.000 1.016 1030 I CA -0.677 60.760 61.300 0.229 0.000 1.151 1030 I CB 1.011 39.114 38.000 0.170 0.000 1.293 1030 I HN 0.637 nan 8.210 nan 0.000 0.458 1031 K N 4.811 125.130 120.400 -0.134 0.000 2.368 1031 K HA 0.193 4.517 4.320 0.007 0.000 0.282 1031 K C 0.699 177.096 176.600 -0.338 0.000 1.035 1031 K CA -0.124 55.805 56.287 -0.598 0.000 0.973 1031 K CB 0.458 32.665 32.500 -0.488 0.000 0.957 1031 K HN 0.573 nan 8.250 nan 0.000 0.474 1032 K N 1.631 121.826 120.400 -0.341 0.000 2.025 1032 K HA -0.076 4.249 4.320 0.007 0.000 0.207 1032 K C 2.806 179.447 176.600 0.067 0.000 1.049 1032 K CA 2.151 58.419 56.287 -0.031 0.000 0.933 1032 K CB 0.028 32.519 32.500 -0.014 0.000 0.714 1032 K HN 0.850 nan 8.250 nan 0.000 0.438 1033 E N 0.722 120.897 120.200 -0.041 0.000 2.110 1033 E HA -0.200 4.154 4.350 0.007 0.000 0.193 1033 E C 2.018 178.623 176.600 0.009 0.000 0.988 1033 E CA 2.064 58.471 56.400 0.011 0.000 0.804 1033 E CB -1.048 28.636 29.700 -0.027 0.000 0.745 1033 E HN 0.481 nan 8.360 nan 0.000 0.458 1034 K N 0.249 120.612 120.400 -0.061 0.000 2.439 1034 K HA 0.335 4.659 4.320 0.007 0.000 0.197 1034 K C 1.287 177.834 176.600 -0.088 0.000 1.041 1034 K CA 0.719 56.961 56.287 -0.075 0.000 0.970 1034 K CB -0.756 31.668 32.500 -0.127 0.000 0.773 1034 K HN 0.354 nan 8.250 nan 0.000 0.479 1035 V N 2.072 121.923 119.914 -0.106 0.000 2.572 1035 V HA 0.211 4.335 4.120 0.007 0.000 0.291 1035 V C 0.452 176.482 176.094 -0.106 0.000 1.039 1035 V CA -0.644 61.516 62.300 -0.233 0.000 1.055 1035 V CB 0.724 32.187 31.823 -0.599 0.000 0.969 1035 V HN 0.417 nan 8.190 nan 0.000 0.482 1036 L N 3.914 125.061 121.223 -0.127 0.000 2.464 1036 L HA 0.315 4.659 4.340 0.007 0.000 0.264 1036 L C 1.792 178.709 176.870 0.078 0.000 1.199 1036 L CA 1.082 55.918 54.840 -0.007 0.000 0.818 1036 L CB 0.304 42.350 42.059 -0.021 0.000 1.102 1036 L HN 0.872 nan 8.230 nan 0.000 0.473 1037 E N 0.664 120.986 120.200 0.203 0.000 2.268 1037 E HA -0.087 4.267 4.350 0.007 0.000 0.195 1037 E C 1.472 178.211 176.600 0.230 0.000 0.995 1037 E CA 1.288 57.886 56.400 0.330 0.000 0.836 1037 E CB -1.289 28.528 29.700 0.195 0.000 0.763 1037 E HN 0.905 nan 8.360 nan 0.000 0.491 1038 D N -1.248 119.220 120.400 0.114 0.000 2.349 1038 D HA 0.149 4.793 4.640 0.007 0.000 0.224 1038 D C 1.622 177.951 176.300 0.048 0.000 1.029 1038 D CA 0.893 54.940 54.000 0.079 0.000 0.879 1038 D CB -0.683 40.149 40.800 0.054 0.000 0.906 1038 D HN 0.531 nan 8.370 nan 0.000 0.528 1039 C N -1.212 118.079 119.300 -0.016 0.000 3.228 1039 C HA 0.305 4.769 4.460 0.007 0.000 0.290 1039 C C 0.571 175.473 174.990 -0.147 0.000 1.301 1039 C CA -1.152 57.794 59.018 -0.121 0.000 1.703 1039 C CB -1.380 26.216 27.740 -0.239 0.000 2.141 1039 C HN 0.662 nan 8.230 nan 0.000 0.656 1040 W N 1.597 122.915 121.300 0.030 0.000 2.190 1040 W HA 0.490 5.154 4.660 0.006 0.000 0.330 1040 W C -0.026 176.511 176.519 0.030 0.000 1.299 1040 W CA -0.116 57.252 57.345 0.038 0.000 1.215 1040 W CB 0.338 29.824 29.460 0.043 0.000 1.147 1040 W HN -0.090 nan 8.180 nan 0.000 0.563 1041 I N 2.908 123.666 120.570 0.314 0.000 2.569 1041 I HA 0.093 4.268 4.170 0.007 0.000 0.290 1041 I C -0.358 175.858 176.117 0.166 0.000 1.088 1041 I CA -1.381 60.026 61.300 0.178 0.000 1.047 1041 I CB 1.855 39.917 38.000 0.104 0.000 1.237 1041 I HN 0.377 nan 8.210 nan 0.000 0.421 1042 E N 3.806 124.072 120.200 0.109 0.000 1.893 1042 E HA 0.129 4.484 4.350 0.007 0.000 0.269 1042 E C -0.735 175.897 176.600 0.053 0.000 1.129 1042 E CA -0.228 56.218 56.400 0.077 0.000 0.904 1042 E CB 0.792 30.522 29.700 0.049 0.000 1.077 1042 E HN 0.418 nan 8.360 nan 0.000 0.407 1043 D N 3.186 123.619 120.400 0.056 0.000 2.277 1043 D HA 0.121 4.765 4.640 0.007 0.000 0.249 1043 D C -1.581 174.737 176.300 0.031 0.000 1.134 1043 D CA -2.073 51.948 54.000 0.035 0.000 0.863 1043 D CB 1.411 42.227 40.800 0.027 0.000 1.143 1043 D HN 0.012 nan 8.370 nan 0.000 0.458 1044 P HA -0.158 nan 4.420 nan 0.000 0.215 1044 P C 0.734 178.047 177.300 0.022 0.000 1.153 1044 P CA 1.388 64.499 63.100 0.018 0.000 0.853 1044 P CB 0.246 31.951 31.700 0.010 0.000 0.788 1045 K N -1.014 119.397 120.400 0.019 0.000 2.076 1045 K HA 0.047 4.371 4.320 0.007 0.000 0.204 1045 K C 1.936 178.552 176.600 0.028 0.000 1.051 1045 K CA 1.008 57.306 56.287 0.019 0.000 0.949 1045 K CB -0.279 32.227 32.500 0.011 0.000 0.726 1045 K HN 0.165 nan 8.250 nan 0.000 0.443 1046 L N -0.950 120.291 121.223 0.030 0.000 2.470 1046 L HA 0.188 4.533 4.340 0.007 0.000 0.219 1046 L C 1.101 178.018 176.870 0.080 0.000 1.071 1046 L CA 0.225 55.091 54.840 0.042 0.000 0.850 1046 L CB 0.229 42.294 42.059 0.009 0.000 1.040 1046 L HN 0.397 nan 8.230 nan 0.000 0.475 1047 G N 0.528 109.374 108.800 0.077 0.000 2.445 1047 G HA2 -0.184 3.780 3.960 0.007 0.000 0.212 1047 G HA3 -0.184 3.780 3.960 0.007 0.000 0.212 1047 G C -0.629 174.350 174.900 0.132 0.000 1.217 1047 G CA -0.774 44.385 45.100 0.098 0.000 1.002 1047 G HN -0.042 nan 8.290 nan 0.000 0.574 1048 K N 1.500 122.003 120.400 0.172 0.000 2.294 1048 K HA 0.439 4.763 4.320 0.007 0.000 0.288 1048 K C 0.719 177.605 176.600 0.476 0.000 1.072 1048 K CA 0.633 57.070 56.287 0.250 0.000 0.960 1048 K CB 0.285 32.865 32.500 0.133 0.000 1.043 1048 K HN 1.314 nan 8.250 nan 0.000 0.455 1049 V N -0.633 119.497 119.914 0.359 0.000 3.145 1049 V HA 0.589 4.713 4.120 0.007 0.000 0.311 1049 V C 0.252 176.394 176.094 0.080 0.000 1.238 1049 V CA -1.021 61.342 62.300 0.106 0.000 1.066 1049 V CB 1.518 33.196 31.823 -0.241 0.000 1.144 1049 V HN 0.641 nan 8.190 nan 0.000 0.465 1050 T N -1.230 113.149 114.554 -0.292 0.000 2.902 1050 T HA 0.450 4.804 4.350 0.007 0.000 0.280 1050 T C 0.811 175.405 174.700 -0.177 0.000 0.992 1050 T CA 0.055 61.972 62.100 -0.305 0.000 1.015 1050 T CB 1.315 69.929 68.868 -0.423 0.000 1.044 1050 T HN 0.892 nan 8.240 nan 0.000 0.520 1051 L N 0.723 121.871 121.223 -0.126 0.000 2.127 1051 L HA 0.005 4.349 4.340 0.007 0.000 0.211 1051 L C 2.645 179.472 176.870 -0.071 0.000 1.089 1051 L CA 2.088 56.898 54.840 -0.050 0.000 0.757 1051 L CB -1.083 40.966 42.059 -0.016 0.000 0.899 1051 L HN 1.003 nan 8.230 nan 0.000 0.434 1052 E N -0.455 119.677 120.200 -0.114 0.000 2.051 1052 E HA -0.241 4.113 4.350 0.007 0.000 0.192 1052 E C 2.244 178.768 176.600 -0.126 0.000 0.991 1052 E CA 1.788 58.134 56.400 -0.089 0.000 0.799 1052 E CB -0.233 29.407 29.700 -0.099 0.000 0.748 1052 E HN 0.610 nan 8.360 nan 0.000 0.449 1053 I N 0.973 121.428 120.570 -0.192 0.000 2.202 1053 I HA -0.219 3.956 4.170 0.007 0.000 0.242 1053 I C 2.651 178.664 176.117 -0.173 0.000 1.091 1053 I CA 0.898 62.060 61.300 -0.229 0.000 1.368 1053 I CB -0.380 37.391 38.000 -0.382 0.000 1.058 1053 I HN 0.214 nan 8.210 nan 0.000 0.410 1054 A N 1.211 123.954 122.820 -0.128 0.000 1.865 1054 A HA -0.216 4.108 4.320 0.007 0.000 0.217 1054 A C 2.304 179.864 177.584 -0.040 0.000 1.191 1054 A CA 1.743 53.746 52.037 -0.056 0.000 0.623 1054 A CB -0.924 18.079 19.000 0.005 0.000 0.826 1054 A HN 0.368 nan 8.150 nan 0.000 0.444 1055 I N -0.706 119.833 120.570 -0.051 0.000 2.179 1055 I HA -0.229 3.945 4.170 0.007 0.000 0.242 1055 I C 2.485 178.473 176.117 -0.216 0.000 1.088 1055 I CA 1.090 62.336 61.300 -0.089 0.000 1.357 1055 I CB -0.198 37.738 38.000 -0.107 0.000 1.051 1055 I HN 0.333 nan 8.210 nan 0.000 0.409 1056 L N -0.147 120.889 121.223 -0.312 0.000 2.141 1056 L HA -0.184 4.160 4.340 0.007 0.000 0.209 1056 L C 2.434 179.149 176.870 -0.258 0.000 1.094 1056 L CA 1.230 55.803 54.840 -0.444 0.000 0.763 1056 L CB -0.131 41.698 42.059 -0.384 0.000 0.908 1056 L HN 0.203 nan 8.230 nan 0.000 0.437 1057 S N -0.807 114.791 115.700 -0.171 0.000 2.515 1057 S HA -0.076 4.398 4.470 0.007 0.000 0.231 1057 S C 1.757 176.316 174.600 -0.068 0.000 0.987 1057 S CA 0.700 58.833 58.200 -0.112 0.000 0.936 1057 S CB -0.042 63.101 63.200 -0.094 0.000 0.766 1057 S HN 0.345 nan 8.310 nan 0.000 0.528 1058 R N 0.579 121.043 120.500 -0.059 0.000 2.308 1058 R HA 0.155 4.499 4.340 0.007 0.000 0.202 1058 R C 0.114 176.433 176.300 0.031 0.000 0.898 1058 R CA 0.072 56.173 56.100 0.002 0.000 1.046 1058 R CB 0.738 31.066 30.300 0.047 0.000 1.026 1058 R HN 0.332 nan 8.270 nan 0.000 0.512 1059 V N -2.613 117.300 119.914 -0.001 0.000 2.667 1059 V HA 0.888 5.012 4.120 0.007 0.000 0.308 1059 V C -0.760 175.365 176.094 0.052 0.000 1.048 1059 V CA -0.766 61.606 62.300 0.119 0.000 0.928 1059 V CB 1.458 33.357 31.823 0.126 0.000 1.004 1059 V HN 0.075 nan 8.190 nan 0.000 0.444 1060 E N 2.446 122.696 120.200 0.083 0.000 2.317 1060 E HA 0.631 4.985 4.350 0.007 0.000 0.270 1060 E C -1.210 175.206 176.600 -0.307 0.000 0.899 1060 E CA -0.669 55.682 56.400 -0.082 0.000 0.814 1060 E CB 1.334 31.017 29.700 -0.029 0.000 1.296 1060 E HN 1.205 nan 8.360 nan 0.000 0.404 1061 H N 0.767 119.586 119.070 -0.418 0.000 3.064 1061 H HA 0.644 5.205 4.556 0.007 0.000 0.352 1061 H C 0.746 175.902 175.328 -0.286 0.000 1.260 1061 H CA 0.302 56.041 56.048 -0.516 0.000 1.160 1061 H CB 2.175 31.470 29.762 -0.778 0.000 1.879 1061 H HN 0.640 nan 8.280 nan 0.000 0.544 1062 A N 2.633 125.029 122.820 -0.707 0.000 2.070 1062 A HA -0.138 4.187 4.320 0.007 0.000 0.220 1062 A C 0.842 178.319 177.584 -0.179 0.000 1.159 1062 A CA 1.715 53.522 52.037 -0.384 0.000 0.656 1062 A CB -0.370 18.379 19.000 -0.417 0.000 0.800 1062 A HN 0.728 nan 8.150 nan 0.000 0.453 1063 N N -1.300 117.426 118.700 0.044 0.000 2.291 1063 N HA 0.399 5.143 4.740 0.007 0.000 0.244 1063 N C -0.899 174.622 175.510 0.020 0.000 1.216 1063 N CA -0.059 53.008 53.050 0.029 0.000 0.879 1063 N CB 0.922 39.446 38.487 0.060 0.000 1.167 1063 N HN 0.340 nan 8.380 nan 0.000 0.515 1064 I N 0.688 121.272 120.570 0.024 0.000 2.545 1064 I HA 0.321 4.495 4.170 0.007 0.000 0.292 1064 I C -0.353 175.740 176.117 -0.040 0.000 1.040 1064 I CA -1.196 60.124 61.300 0.034 0.000 1.068 1064 I CB 2.034 40.073 38.000 0.065 0.000 1.251 1064 I HN -0.065 nan 8.210 nan 0.000 0.424 1065 I N 5.939 126.500 120.570 -0.015 0.000 2.775 1065 I HA -0.089 4.085 4.170 0.007 0.000 0.290 1065 I C 0.503 176.574 176.117 -0.075 0.000 1.203 1065 I CA 0.675 61.948 61.300 -0.045 0.000 1.433 1065 I CB 0.159 38.163 38.000 0.007 0.000 1.354 1065 I HN 0.507 nan 8.210 nan 0.000 0.579 1066 K N 6.138 126.498 120.400 -0.066 0.000 2.172 1066 K HA 0.421 4.745 4.320 0.007 0.000 0.276 1066 K C -1.252 175.307 176.600 -0.068 0.000 1.013 1066 K CA -0.698 55.547 56.287 -0.071 0.000 0.913 1066 K CB 0.955 33.424 32.500 -0.052 0.000 1.055 1066 K HN 0.451 nan 8.250 nan 0.000 0.461 1067 V N 6.843 126.705 119.914 -0.086 0.000 2.461 1067 V HA 0.085 4.209 4.120 0.007 0.000 0.275 1067 V C 1.109 177.161 176.094 -0.070 0.000 1.047 1067 V CA -0.178 62.067 62.300 -0.092 0.000 0.955 1067 V CB 1.160 32.912 31.823 -0.118 0.000 0.988 1067 V HN 0.851 nan 8.190 nan 0.000 0.471 1068 L N 2.546 123.733 121.223 -0.061 0.000 2.316 1068 L HA 0.371 4.715 4.340 0.007 0.000 0.207 1068 L C 0.267 177.115 176.870 -0.037 0.000 1.070 1068 L CA 0.817 55.648 54.840 -0.015 0.000 0.820 1068 L CB 0.306 42.392 42.059 0.044 0.000 0.992 1068 L HN 0.617 nan 8.230 nan 0.000 0.466 1069 D N -0.905 119.413 120.400 -0.136 0.000 2.663 1069 D HA 0.397 5.041 4.640 0.007 0.000 0.233 1069 D C -1.459 174.583 176.300 -0.430 0.000 1.240 1069 D CA -0.285 53.518 54.000 -0.328 0.000 0.774 1069 D CB 3.368 43.929 40.800 -0.399 0.000 1.443 1069 D HN -0.183 nan 8.370 nan 0.000 0.441 1070 I N 2.075 122.329 120.570 -0.527 0.000 2.468 1070 I HA 0.438 4.612 4.170 0.007 0.000 0.285 1070 I C -1.578 174.340 176.117 -0.332 0.000 1.039 1070 I CA -0.444 60.647 61.300 -0.347 0.000 1.074 1070 I CB 0.558 38.456 38.000 -0.170 0.000 1.228 1070 I HN 0.156 nan 8.210 nan 0.000 0.436 1071 F N 5.601 125.679 119.950 0.214 0.000 2.557 1071 F HA 0.652 5.183 4.527 0.007 0.000 0.336 1071 F C 0.143 176.129 175.800 0.310 0.000 1.058 1071 F CA -0.763 57.386 58.000 0.247 0.000 0.988 1071 F CB 1.202 40.360 39.000 0.263 0.000 1.275 1071 F HN 0.375 nan 8.300 nan 0.000 0.488 1072 E N 0.237 120.707 120.200 0.449 0.000 2.343 1072 E HA 0.325 4.679 4.350 0.007 0.000 0.278 1072 E C -1.261 175.432 176.600 0.154 0.000 0.910 1072 E CA -0.558 55.978 56.400 0.226 0.000 0.757 1072 E CB 1.568 31.360 29.700 0.153 0.000 1.218 1072 E HN 0.711 nan 8.360 nan 0.000 0.435 1073 N N 2.580 121.331 118.700 0.085 0.000 2.307 1073 N HA 0.090 4.835 4.740 0.007 0.000 0.248 1073 N C 0.450 175.987 175.510 0.045 0.000 1.322 1073 N CA 0.896 53.999 53.050 0.089 0.000 0.861 1073 N CB 0.882 39.449 38.487 0.134 0.000 1.303 1073 N HN 0.693 nan 8.380 nan 0.000 0.498 1074 Q N -1.195 118.586 119.800 -0.032 0.000 2.301 1074 Q HA -0.162 4.182 4.340 0.007 0.000 0.163 1074 Q C 1.296 177.270 176.000 -0.043 0.000 0.576 1074 Q CA 2.358 58.131 55.803 -0.050 0.000 1.368 1074 Q CB -2.598 26.131 28.738 -0.016 0.000 1.325 1074 Q HN 0.802 nan 8.270 nan 0.000 0.946 1075 G N -2.380 106.431 108.800 0.018 0.000 2.798 1075 G HA2 0.539 4.503 3.960 0.007 0.000 0.200 1075 G HA3 0.539 4.503 3.960 0.007 0.000 0.200 1075 G C 0.398 175.151 174.900 -0.246 0.000 1.092 1075 G CA 0.624 45.711 45.100 -0.021 0.000 0.800 1075 G HN 0.740 nan 8.290 nan 0.000 0.566 1076 F N -0.888 119.041 119.950 -0.035 0.000 2.603 1076 F HA 0.656 5.187 4.527 0.006 0.000 0.317 1076 F C -0.807 174.949 175.800 -0.073 0.000 1.066 1076 F CA -1.237 56.773 58.000 0.015 0.000 0.941 1076 F CB 2.199 41.288 39.000 0.149 0.000 1.291 1076 F HN -0.149 nan 8.300 nan 0.000 0.472 1077 F N 0.671 120.799 119.950 0.297 0.000 2.422 1077 F HA 0.478 5.009 4.527 0.007 0.000 0.333 1077 F C -0.379 175.528 175.800 0.178 0.000 1.095 1077 F CA -0.765 57.356 58.000 0.202 0.000 1.038 1077 F CB 1.626 40.687 39.000 0.101 0.000 1.156 1077 F HN 0.274 nan 8.300 nan 0.000 0.483 1078 Q N 3.748 123.732 119.800 0.307 0.000 2.425 1078 Q HA 0.338 4.682 4.340 0.007 0.000 0.254 1078 Q C -0.804 175.164 176.000 -0.054 0.000 1.032 1078 Q CA -0.110 55.677 55.803 -0.027 0.000 0.798 1078 Q CB 1.611 30.282 28.738 -0.112 0.000 1.210 1078 Q HN 0.511 nan 8.270 nan 0.000 0.491 1079 L N 3.873 125.016 121.223 -0.133 0.000 2.261 1079 L HA 0.470 4.814 4.340 0.007 0.000 0.289 1079 L C -1.100 175.657 176.870 -0.189 0.000 1.059 1079 L CA -0.662 54.093 54.840 -0.143 0.000 0.816 1079 L CB 0.523 42.514 42.059 -0.113 0.000 1.191 1079 L HN 0.365 nan 8.230 nan 0.000 0.431 1080 V N 6.534 126.330 119.914 -0.198 0.000 2.370 1080 V HA 0.455 4.579 4.120 0.007 0.000 0.283 1080 V C 0.217 176.222 176.094 -0.149 0.000 1.023 1080 V CA -0.355 61.813 62.300 -0.220 0.000 0.857 1080 V CB 1.606 33.221 31.823 -0.347 0.000 0.985 1080 V HN 0.813 nan 8.190 nan 0.000 0.443 1081 M N 3.165 122.699 119.600 -0.109 0.000 2.662 1081 M HA 0.474 4.958 4.480 0.007 0.000 0.310 1081 M C 0.102 176.386 176.300 -0.027 0.000 1.204 1081 M CA -0.655 54.608 55.300 -0.060 0.000 0.891 1081 M CB 2.044 34.619 32.600 -0.042 0.000 1.732 1081 M HN 0.801 nan 8.290 nan 0.000 0.467 1082 E N 1.616 121.814 120.200 -0.004 0.000 2.467 1082 E HA -0.025 4.329 4.350 0.007 0.000 0.264 1082 E C -0.880 175.741 176.600 0.034 0.000 1.020 1082 E CA 0.087 56.501 56.400 0.023 0.000 0.945 1082 E CB 0.719 30.437 29.700 0.030 0.000 0.942 1082 E HN 0.478 nan 8.360 nan 0.000 0.449 1083 K N 2.353 122.776 120.400 0.037 0.000 2.276 1083 K HA 0.063 4.387 4.320 0.007 0.000 0.285 1083 K C -1.166 175.459 176.600 0.041 0.000 1.062 1083 K CA -0.525 55.783 56.287 0.036 0.000 0.918 1083 K CB 0.507 33.020 32.500 0.022 0.000 1.055 1083 K HN 0.559 nan 8.250 nan 0.000 0.477 1084 H N 3.743 122.787 119.070 -0.044 0.000 2.641 1084 H HA 0.343 4.903 4.556 0.007 0.000 0.295 1084 H C 0.508 175.776 175.328 -0.099 0.000 1.070 1084 H CA 1.154 57.161 56.048 -0.069 0.000 1.257 1084 H CB 0.672 30.397 29.762 -0.062 0.000 1.393 1084 H HN 0.941 nan 8.280 nan 0.000 0.464 1085 G N 3.014 111.531 108.800 -0.472 0.000 2.527 1085 G HA2 -0.334 3.630 3.960 0.007 0.000 0.268 1085 G HA3 -0.334 3.630 3.960 0.007 0.000 0.268 1085 G C 0.803 175.578 174.900 -0.209 0.000 1.175 1085 G CA 0.361 45.224 45.100 -0.395 0.000 0.962 1085 G HN 1.177 nan 8.290 nan 0.000 0.560 1086 S N 0.064 115.664 115.700 -0.166 0.000 2.575 1086 S HA 0.500 4.974 4.470 0.007 0.000 0.237 1086 S C 1.766 176.350 174.600 -0.027 0.000 0.975 1086 S CA 1.117 59.270 58.200 -0.079 0.000 0.960 1086 S CB 0.461 63.626 63.200 -0.059 0.000 0.822 1086 S HN 2.859 nan 8.310 nan 0.000 0.472 1087 G N 0.908 109.694 108.800 -0.024 0.000 2.132 1087 G HA2 -0.218 3.746 3.960 0.007 0.000 0.234 1087 G HA3 -0.218 3.746 3.960 0.007 0.000 0.234 1087 G C -0.254 174.662 174.900 0.027 0.000 0.989 1087 G CA 0.111 45.217 45.100 0.009 0.000 0.676 1087 G HN 0.699 nan 8.290 nan 0.000 0.522 1088 L N 2.380 123.617 121.223 0.023 0.000 2.295 1088 L HA 0.568 4.913 4.340 0.007 0.000 0.288 1088 L C 0.604 177.517 176.870 0.072 0.000 1.079 1088 L CA -0.497 54.382 54.840 0.066 0.000 0.830 1088 L CB 0.288 42.386 42.059 0.064 0.000 1.200 1088 L HN 0.372 nan 8.230 nan 0.000 0.438 1089 D N 2.682 123.145 120.400 0.106 0.000 2.377 1089 D HA 0.042 4.687 4.640 0.007 0.000 0.245 1089 D C 1.002 177.410 176.300 0.180 0.000 1.196 1089 D CA -0.522 53.548 54.000 0.116 0.000 0.962 1089 D CB 0.745 41.610 40.800 0.109 0.000 1.127 1089 D HN 0.349 nan 8.370 nan 0.000 0.471 1090 L N 0.208 121.533 121.223 0.170 0.000 2.201 1090 L HA 0.045 4.389 4.340 0.007 0.000 0.212 1090 L C 1.673 178.738 176.870 0.325 0.000 1.105 1090 L CA 1.180 56.158 54.840 0.229 0.000 0.775 1090 L CB -0.992 41.163 42.059 0.160 0.000 0.913 1090 L HN 0.629 nan 8.230 nan 0.000 0.440 1091 F N 0.229 120.269 119.950 0.149 0.000 2.051 1091 F HA -0.238 4.293 4.527 0.007 0.000 0.296 1091 F C 2.350 178.230 175.800 0.135 0.000 1.122 1091 F CA 1.717 59.795 58.000 0.130 0.000 1.201 1091 F CB -0.473 38.582 39.000 0.092 0.000 0.978 1091 F HN 0.069 nan 8.300 nan 0.000 0.472 1092 A N -0.436 122.645 122.820 0.435 0.000 2.019 1092 A HA -0.191 4.133 4.320 0.007 0.000 0.219 1092 A C 2.091 179.850 177.584 0.292 0.000 1.164 1092 A CA 1.430 53.658 52.037 0.320 0.000 0.644 1092 A CB -1.558 17.626 19.000 0.306 0.000 0.805 1092 A HN 0.585 nan 8.150 nan 0.000 0.449 1093 F N 0.327 120.353 119.950 0.128 0.000 2.113 1093 F HA -0.090 4.441 4.527 0.007 0.000 0.297 1093 F C 1.850 177.735 175.800 0.142 0.000 1.103 1093 F CA 1.703 59.774 58.000 0.119 0.000 1.248 1093 F CB -0.206 38.780 39.000 -0.024 0.000 0.999 1093 F HN 0.157 nan 8.300 nan 0.000 0.475 1094 I N 0.110 120.676 120.570 -0.006 0.000 2.439 1094 I HA -0.229 3.945 4.170 0.007 0.000 0.251 1094 I C 1.840 177.718 176.117 -0.398 0.000 1.139 1094 I CA 1.472 62.645 61.300 -0.212 0.000 1.438 1094 I CB -0.443 37.498 38.000 -0.098 0.000 1.085 1094 I HN 0.087 nan 8.210 nan 0.000 0.427 1095 D N 0.579 120.737 120.400 -0.404 0.000 2.219 1095 D HA -0.099 4.545 4.640 0.007 0.000 0.205 1095 D C 1.860 177.913 176.300 -0.412 0.000 0.970 1095 D CA 0.822 54.542 54.000 -0.467 0.000 0.851 1095 D CB 0.137 40.728 40.800 -0.348 0.000 0.943 1095 D HN 0.003 nan 8.370 nan 0.000 0.488 1096 R N 0.245 120.611 120.500 -0.223 0.000 2.363 1096 R HA 0.032 4.376 4.340 0.007 0.000 0.236 1096 R C -0.249 175.912 176.300 -0.231 0.000 0.966 1096 R CA -0.080 55.909 56.100 -0.185 0.000 1.100 1096 R CB -0.563 29.652 30.300 -0.142 0.000 1.125 1096 R HN 0.409 nan 8.270 nan 0.000 0.514 1097 H N -0.032 118.918 119.070 -0.200 0.000 2.740 1097 H HA -0.089 4.471 4.556 0.007 0.000 0.327 1097 H C -1.997 173.178 175.328 -0.255 0.000 1.077 1097 H CA 0.025 55.956 56.048 -0.196 0.000 1.088 1097 H CB -1.224 28.453 29.762 -0.140 0.000 1.619 1097 H HN 0.265 nan 8.280 nan 0.000 0.386 1098 P HA 0.191 nan 4.420 nan 0.000 0.274 1098 P C 0.203 177.413 177.300 -0.150 0.000 1.256 1098 P CA -0.139 62.767 63.100 -0.324 0.000 0.795 1098 P CB 0.981 32.211 31.700 -0.783 0.000 1.038 1099 R N 1.092 121.534 120.500 -0.096 0.000 2.396 1099 R HA 0.448 4.792 4.340 0.007 0.000 0.292 1099 R C -0.545 175.731 176.300 -0.039 0.000 1.240 1099 R CA -0.427 55.635 56.100 -0.063 0.000 1.270 1099 R CB 0.076 30.345 30.300 -0.051 0.000 1.108 1099 R HN 0.446 nan 8.270 nan 0.000 0.573 1100 L N 2.655 123.849 121.223 -0.048 0.000 2.325 1100 L HA 0.374 4.718 4.340 0.007 0.000 0.278 1100 L C 0.294 177.127 176.870 -0.061 0.000 1.023 1100 L CA -0.934 53.872 54.840 -0.056 0.000 0.811 1100 L CB 1.422 43.476 42.059 -0.009 0.000 1.249 1100 L HN 0.479 nan 8.230 nan 0.000 0.431 1101 D N 0.772 121.135 120.400 -0.062 0.000 2.529 1101 D HA 0.138 4.782 4.640 0.007 0.000 0.273 1101 D C 0.448 176.738 176.300 -0.017 0.000 1.197 1101 D CA -0.585 53.402 54.000 -0.023 0.000 1.070 1101 D CB 0.951 41.775 40.800 0.040 0.000 1.134 1101 D HN 0.469 nan 8.370 nan 0.000 0.590 1102 E N -0.536 119.687 120.200 0.038 0.000 2.047 1102 E HA -0.073 4.281 4.350 0.007 0.000 0.191 1102 E C -0.894 175.646 176.600 -0.100 0.000 0.987 1102 E CA 0.953 57.427 56.400 0.124 0.000 0.799 1102 E CB -0.953 28.918 29.700 0.286 0.000 0.752 1102 E HN 0.408 nan 8.360 nan 0.000 0.449 1103 P HA -0.189 nan 4.420 nan 0.000 0.215 1103 P C 1.513 178.669 177.300 -0.240 0.000 1.157 1103 P CA 0.952 63.937 63.100 -0.192 0.000 0.874 1103 P CB 0.032 31.718 31.700 -0.024 0.000 0.790 1104 L N -0.406 120.614 121.223 -0.339 0.000 2.027 1104 L HA -0.023 4.321 4.340 0.007 0.000 0.206 1104 L C 2.292 179.040 176.870 -0.204 0.000 1.074 1104 L CA 1.946 56.488 54.840 -0.497 0.000 0.745 1104 L CB -1.679 39.777 42.059 -1.006 0.000 0.898 1104 L HN -0.125 nan 8.230 nan 0.000 0.433 1105 A N -1.460 121.295 122.820 -0.107 0.000 1.927 1105 A HA -0.310 4.014 4.320 0.007 0.000 0.220 1105 A C 2.556 180.182 177.584 0.070 0.000 1.185 1105 A CA 2.294 54.370 52.037 0.066 0.000 0.639 1105 A CB -1.292 17.819 19.000 0.185 0.000 0.820 1105 A HN 0.540 nan 8.150 nan 0.000 0.451 1106 S N -2.176 113.354 115.700 -0.283 0.000 2.370 1106 S HA -0.210 4.264 4.470 0.007 0.000 0.226 1106 S C 1.889 176.392 174.600 -0.162 0.000 1.033 1106 S CA 1.708 59.532 58.200 -0.627 0.000 1.011 1106 S CB -0.533 61.999 63.200 -1.113 0.000 0.852 1106 S HN 0.679 nan 8.310 nan 0.000 0.457 1107 Y N 1.829 122.001 120.300 -0.213 0.000 2.181 1107 Y HA -0.038 4.516 4.550 0.007 0.000 0.288 1107 Y C 1.857 177.735 175.900 -0.036 0.000 1.146 1107 Y CA 1.612 59.640 58.100 -0.119 0.000 1.164 1107 Y CB -0.434 37.943 38.460 -0.138 0.000 0.982 1107 Y HN 0.307 nan 8.280 nan 0.000 0.515 1108 I N -1.305 119.235 120.570 -0.049 0.000 2.202 1108 I HA -0.290 3.884 4.170 0.007 0.000 0.242 1108 I C 2.184 178.306 176.117 0.009 0.000 1.091 1108 I CA 1.553 62.822 61.300 -0.052 0.000 1.368 1108 I CB -0.588 37.446 38.000 0.057 0.000 1.058 1108 I HN 0.206 nan 8.210 nan 0.000 0.410 1109 F N 2.609 122.547 119.950 -0.020 0.000 2.146 1109 F HA -0.203 4.328 4.527 0.007 0.000 0.298 1109 F C 2.791 178.593 175.800 0.004 0.000 1.096 1109 F CA 1.618 59.646 58.000 0.046 0.000 1.275 1109 F CB -0.357 38.774 39.000 0.219 0.000 1.008 1109 F HN -0.029 nan 8.300 nan 0.000 0.480 1110 R N 0.241 120.670 120.500 -0.118 0.000 2.152 1110 R HA -0.162 4.182 4.340 0.007 0.000 0.232 1110 R C 1.841 177.998 176.300 -0.238 0.000 1.117 1110 R CA 1.696 57.670 56.100 -0.209 0.000 0.981 1110 R CB -0.893 29.348 30.300 -0.098 0.000 0.870 1110 R HN 0.400 nan 8.270 nan 0.000 0.451 1111 Q N 0.587 120.235 119.800 -0.253 0.000 2.119 1111 Q HA -0.105 4.239 4.340 0.007 0.000 0.201 1111 Q C 2.118 178.009 176.000 -0.182 0.000 0.972 1111 Q CA 1.251 56.924 55.803 -0.216 0.000 0.847 1111 Q CB -0.087 28.488 28.738 -0.273 0.000 0.903 1111 Q HN 0.272 nan 8.270 nan 0.000 0.433 1112 L N 0.221 121.306 121.223 -0.230 0.000 2.046 1112 L HA -0.151 4.193 4.340 0.007 0.000 0.208 1112 L C 2.059 178.759 176.870 -0.284 0.000 1.077 1112 L CA 1.413 56.111 54.840 -0.237 0.000 0.747 1112 L CB -0.413 41.518 42.059 -0.214 0.000 0.896 1112 L HN -0.013 nan 8.230 nan 0.000 0.432 1113 V N -0.708 118.968 119.914 -0.397 0.000 2.343 1113 V HA -0.265 3.859 4.120 0.007 0.000 0.247 1113 V C 2.512 178.502 176.094 -0.172 0.000 1.051 1113 V CA 1.833 63.938 62.300 -0.325 0.000 1.036 1113 V CB -0.923 30.670 31.823 -0.383 0.000 0.654 1113 V HN 0.564 nan 8.190 nan 0.000 0.451 1114 S N 0.915 116.537 115.700 -0.129 0.000 2.368 1114 S HA -0.162 4.312 4.470 0.007 0.000 0.225 1114 S C 2.233 176.719 174.600 -0.190 0.000 1.030 1114 S CA 1.336 59.511 58.200 -0.041 0.000 0.999 1114 S CB -0.593 62.660 63.200 0.089 0.000 0.844 1114 S HN 0.643 nan 8.310 nan 0.000 0.459 1115 A N 1.357 124.019 122.820 -0.264 0.000 1.902 1115 A HA -0.018 4.306 4.320 0.007 0.000 0.217 1115 A C 2.367 179.840 177.584 -0.185 0.000 1.181 1115 A CA 1.567 53.365 52.037 -0.400 0.000 0.623 1115 A CB -0.860 18.022 19.000 -0.197 0.000 0.818 1115 A HN 0.361 nan 8.150 nan 0.000 0.443 1116 V N -0.244 119.588 119.914 -0.137 0.000 2.379 1116 V HA -0.096 4.028 4.120 0.007 0.000 0.245 1116 V C 2.838 178.903 176.094 -0.048 0.000 1.044 1116 V CA 1.652 63.904 62.300 -0.080 0.000 1.036 1116 V CB -1.470 30.299 31.823 -0.090 0.000 0.664 1116 V HN 0.591 nan 8.190 nan 0.000 0.453 1117 G N -0.870 107.900 108.800 -0.050 0.000 2.469 1117 G HA2 -0.378 3.587 3.960 0.007 0.000 0.219 1117 G HA3 -0.378 3.587 3.960 0.007 0.000 0.219 1117 G C 1.565 176.470 174.900 0.008 0.000 1.150 1117 G CA 1.451 46.544 45.100 -0.012 0.000 0.763 1117 G HN 0.590 nan 8.290 nan 0.000 0.561 1118 Y N 1.030 121.246 120.300 -0.140 0.000 2.181 1118 Y HA 0.007 4.561 4.550 0.007 0.000 0.288 1118 Y C 2.535 178.396 175.900 -0.065 0.000 1.146 1118 Y CA 1.413 59.443 58.100 -0.117 0.000 1.164 1118 Y CB -0.239 38.050 38.460 -0.285 0.000 0.982 1118 Y HN 0.121 nan 8.280 nan 0.000 0.515 1119 L N -0.228 120.927 121.223 -0.112 0.000 2.093 1119 L HA -0.173 4.171 4.340 0.007 0.000 0.208 1119 L C 2.629 179.421 176.870 -0.130 0.000 1.085 1119 L CA 1.392 56.150 54.840 -0.138 0.000 0.755 1119 L CB -0.486 41.595 42.059 0.035 0.000 0.904 1119 L HN 0.100 nan 8.230 nan 0.000 0.435 1120 R N 0.588 121.043 120.500 -0.075 0.000 2.083 1120 R HA -0.203 4.141 4.340 0.007 0.000 0.237 1120 R C 2.136 178.404 176.300 -0.053 0.000 1.137 1120 R CA 1.595 57.674 56.100 -0.036 0.000 0.951 1120 R CB -0.859 29.436 30.300 -0.008 0.000 0.851 1120 R HN 0.139 nan 8.270 nan 0.000 0.434 1121 L N 0.870 122.038 121.223 -0.092 0.000 2.129 1121 L HA -0.167 4.177 4.340 0.007 0.000 0.212 1121 L C 1.384 178.179 176.870 -0.126 0.000 1.087 1121 L CA 1.913 56.695 54.840 -0.097 0.000 0.757 1121 L CB -0.221 41.775 42.059 -0.105 0.000 0.896 1121 L HN 0.109 nan 8.230 nan 0.000 0.434 1122 K N -0.550 119.723 120.400 -0.212 0.000 2.444 1122 K HA 0.013 4.337 4.320 0.007 0.000 0.193 1122 K C -0.098 176.506 176.600 0.006 0.000 1.024 1122 K CA 0.495 56.691 56.287 -0.153 0.000 1.077 1122 K CB -0.068 32.256 32.500 -0.294 0.000 0.833 1122 K HN 0.338 nan 8.250 nan 0.000 0.517 1123 D N 0.472 120.879 120.400 0.011 0.000 2.907 1123 D HA -0.184 4.460 4.640 0.007 0.000 0.226 1123 D C -0.485 175.858 176.300 0.072 0.000 1.141 1123 D CA 0.762 54.816 54.000 0.090 0.000 0.779 1123 D CB -1.613 39.286 40.800 0.165 0.000 1.095 1123 D HN 0.274 nan 8.370 nan 0.000 0.430 1124 I N 0.801 121.347 120.570 -0.041 0.000 2.362 1124 I HA 0.370 4.544 4.170 0.007 0.000 0.289 1124 I C 0.394 176.486 176.117 -0.040 0.000 0.994 1124 I CA -0.838 60.385 61.300 -0.128 0.000 1.158 1124 I CB 1.629 39.522 38.000 -0.178 0.000 1.315 1124 I HN -0.129 nan 8.210 nan 0.000 0.451 1125 I N 5.889 126.435 120.570 -0.040 0.000 2.354 1125 I HA 0.176 4.350 4.170 0.007 0.000 0.292 1125 I C 1.310 177.378 176.117 -0.080 0.000 0.989 1125 I CA 0.017 61.301 61.300 -0.026 0.000 1.188 1125 I CB 1.017 39.020 38.000 0.005 0.000 1.342 1125 I HN 0.599 nan 8.210 nan 0.000 0.457 1126 H N 7.289 126.259 119.070 -0.167 0.000 2.363 1126 H HA -0.013 4.547 4.556 0.007 0.000 0.301 1126 H C 0.944 176.099 175.328 -0.287 0.000 1.074 1126 H CA 1.943 57.821 56.048 -0.283 0.000 1.354 1126 H CB 0.418 29.955 29.762 -0.375 0.000 1.397 1126 H HN 0.697 nan 8.280 nan 0.000 0.516 1127 R N -0.633 119.808 120.500 -0.098 0.000 3.922 1127 R HA -0.172 4.173 4.340 0.007 0.000 0.447 1127 R C -0.475 175.726 176.300 -0.166 0.000 1.035 1127 R CA 1.173 57.165 56.100 -0.181 0.000 1.289 1127 R CB -1.532 28.582 30.300 -0.310 0.000 1.906 1127 R HN 0.304 nan 8.270 nan 0.000 0.540 1128 D N 0.209 120.636 120.400 0.045 0.000 3.007 1128 D HA 0.260 4.904 4.640 0.007 0.000 0.363 1128 D C -0.622 175.678 176.300 0.001 0.000 1.474 1128 D CA -0.275 53.711 54.000 -0.024 0.000 0.767 1128 D CB 0.320 41.040 40.800 -0.134 0.000 1.227 1128 D HN 0.165 nan 8.370 nan 0.000 0.471 1129 I N 2.232 122.760 120.570 -0.071 0.000 2.436 1129 I HA 0.179 4.353 4.170 0.007 0.000 0.289 1129 I C 0.593 176.544 176.117 -0.277 0.000 1.083 1129 I CA 0.352 61.508 61.300 -0.241 0.000 1.372 1129 I CB 0.242 38.125 38.000 -0.194 0.000 1.408 1129 I HN 0.025 nan 8.210 nan 0.000 0.516 1130 K N 3.284 123.472 120.400 -0.354 0.000 2.571 1130 K HA 0.329 4.653 4.320 0.007 0.000 0.289 1130 K C -0.290 176.225 176.600 -0.142 0.000 1.028 1130 K CA -0.805 55.162 56.287 -0.533 0.000 0.895 1130 K CB 0.814 32.682 32.500 -1.054 0.000 1.534 1130 K HN 0.292 nan 8.250 nan 0.000 0.421 1131 D N 0.421 120.847 120.400 0.044 0.000 2.144 1131 D HA -0.194 4.450 4.640 0.007 0.000 0.199 1131 D C 0.988 177.368 176.300 0.133 0.000 0.984 1131 D CA 1.334 55.431 54.000 0.162 0.000 0.834 1131 D CB -0.198 40.783 40.800 0.301 0.000 0.955 1131 D HN 0.634 nan 8.370 nan 0.000 0.465 1132 E N -0.351 119.897 120.200 0.081 0.000 2.347 1132 E HA -0.032 4.322 4.350 0.007 0.000 0.196 1132 E C 0.669 177.259 176.600 -0.017 0.000 1.008 1132 E CA 0.347 56.763 56.400 0.027 0.000 0.852 1132 E CB -0.027 29.620 29.700 -0.087 0.000 0.783 1132 E HN 0.261 nan 8.360 nan 0.000 0.505 1133 N N 0.264 118.930 118.700 -0.057 0.000 2.251 1133 N HA 0.169 4.913 4.740 0.007 0.000 0.217 1133 N C -0.418 175.042 175.510 -0.082 0.000 1.124 1133 N CA 0.254 53.261 53.050 -0.071 0.000 0.843 1133 N CB 0.741 39.167 38.487 -0.101 0.000 1.024 1133 N HN 0.081 nan 8.380 nan 0.000 0.501 1134 I N 0.132 120.678 120.570 -0.041 0.000 2.509 1134 I HA 0.325 4.500 4.170 0.007 0.000 0.293 1134 I C -0.524 175.595 176.117 0.004 0.000 1.020 1134 I CA -0.898 60.379 61.300 -0.037 0.000 1.088 1134 I CB 2.746 40.726 38.000 -0.034 0.000 1.267 1134 I HN -0.379 nan 8.210 nan 0.000 0.430 1135 V N 6.810 126.724 119.914 0.000 0.000 2.495 1135 V HA 0.501 4.625 4.120 0.007 0.000 0.298 1135 V C -0.535 175.607 176.094 0.079 0.000 1.031 1135 V CA -0.589 61.737 62.300 0.045 0.000 0.871 1135 V CB 2.251 34.116 31.823 0.069 0.000 0.988 1135 V HN 0.530 nan 8.190 nan 0.000 0.432 1136 I N 4.527 125.115 120.570 0.030 0.000 2.474 1136 I HA 0.828 5.002 4.170 0.007 0.000 0.294 1136 I C 0.262 176.270 176.117 -0.182 0.000 1.005 1136 I CA -0.251 61.030 61.300 -0.031 0.000 1.113 1136 I CB 1.726 39.607 38.000 -0.198 0.000 1.289 1136 I HN 0.718 nan 8.210 nan 0.000 0.436 1137 A N 5.125 127.773 122.820 -0.286 0.000 2.263 1137 A HA 0.461 4.785 4.320 0.007 0.000 0.318 1137 A C 0.598 177.679 177.584 -0.838 0.000 1.111 1137 A CA -0.400 51.255 52.037 -0.636 0.000 0.901 1137 A CB 0.648 19.177 19.000 -0.786 0.000 1.280 1137 A HN 0.818 nan 8.150 nan 0.000 0.503 1138 E N -0.195 119.383 120.200 -1.038 0.000 2.427 1138 E HA -0.117 4.237 4.350 0.007 0.000 0.196 1138 E C -0.020 176.148 176.600 -0.721 0.000 1.028 1138 E CA 0.920 56.542 56.400 -1.296 0.000 0.864 1138 E CB 0.000 28.992 29.700 -1.180 0.000 0.813 1138 E HN 0.726 nan 8.360 nan 0.000 0.514 1139 D N -0.504 119.630 120.400 -0.443 0.000 2.319 1139 D HA -0.093 4.551 4.640 0.007 0.000 0.230 1139 D C -0.000 176.348 176.300 0.081 0.000 1.094 1139 D CA -0.259 53.642 54.000 -0.166 0.000 0.856 1139 D CB -0.519 40.258 40.800 -0.040 0.000 0.915 1139 D HN 0.095 nan 8.370 nan 0.000 0.517 1140 F N -1.090 118.958 119.950 0.163 0.000 2.914 1140 F HA -0.243 4.288 4.527 0.007 0.000 0.304 1140 F C 0.416 176.339 175.800 0.205 0.000 0.712 1140 F CA 0.714 58.849 58.000 0.226 0.000 1.211 1140 F CB -2.738 36.437 39.000 0.291 0.000 1.515 1140 F HN -0.107 nan 8.300 nan 0.000 0.350 1141 T N 2.744 117.449 114.554 0.252 0.000 2.884 1141 T HA 0.627 4.981 4.350 0.007 0.000 0.298 1141 T C 0.434 175.234 174.700 0.166 0.000 0.998 1141 T CA -0.052 62.147 62.100 0.165 0.000 1.124 1141 T CB 0.847 69.825 68.868 0.184 0.000 0.931 1141 T HN 0.357 nan 8.240 nan 0.000 0.531 1142 I N 0.064 120.628 120.570 -0.010 0.000 2.693 1142 I HA 0.855 5.029 4.170 0.007 0.000 0.303 1142 I C -0.652 175.316 176.117 -0.250 0.000 1.025 1142 I CA -1.257 59.999 61.300 -0.074 0.000 1.086 1142 I CB 1.923 39.876 38.000 -0.077 0.000 1.268 1142 I HN 0.219 nan 8.210 nan 0.000 0.440 1143 K N 3.771 123.988 120.400 -0.305 0.000 2.324 1143 K HA 0.557 4.881 4.320 0.007 0.000 0.253 1143 K C -1.204 175.325 176.600 -0.118 0.000 0.932 1143 K CA -0.635 55.489 56.287 -0.271 0.000 0.799 1143 K CB 1.918 34.175 32.500 -0.405 0.000 1.154 1143 K HN 0.578 nan 8.250 nan 0.000 0.425 1144 L N 5.472 126.656 121.223 -0.065 0.000 2.367 1144 L HA 0.457 4.801 4.340 0.007 0.000 0.275 1144 L C -0.604 176.343 176.870 0.127 0.000 1.129 1144 L CA 0.236 55.054 54.840 -0.036 0.000 0.839 1144 L CB -0.032 41.991 42.059 -0.061 0.000 1.133 1144 L HN 0.659 nan 8.230 nan 0.000 0.453 1145 I N 0.154 120.775 120.570 0.084 0.000 3.294 1145 I HA 0.639 4.813 4.170 0.007 0.000 0.311 1145 I C -0.556 175.665 176.117 0.173 0.000 1.111 1145 I CA -1.079 60.340 61.300 0.197 0.000 0.976 1145 I CB 1.525 39.580 38.000 0.092 0.000 1.260 1145 I HN 0.517 nan 8.210 nan 0.000 0.474 1146 D N 0.880 121.409 120.400 0.215 0.000 3.437 1146 D HA -0.215 4.429 4.640 0.007 0.000 0.243 1146 D C -0.889 175.358 176.300 -0.088 0.000 1.104 1146 D CA 0.642 54.692 54.000 0.084 0.000 1.009 1146 D CB -0.829 39.978 40.800 0.011 0.000 0.937 1146 D HN 0.566 nan 8.370 nan 0.000 0.417 1147 F N 0.285 120.157 119.950 -0.130 0.000 2.730 1147 F HA 0.391 4.922 4.527 0.007 0.000 0.295 1147 F C 2.204 177.845 175.800 -0.266 0.000 1.143 1147 F CA 0.205 58.051 58.000 -0.256 0.000 1.367 1147 F CB 0.615 39.521 39.000 -0.157 0.000 0.970 1147 F HN 0.349 nan 8.300 nan 0.000 0.514 1148 G N -0.819 107.898 108.800 -0.139 0.000 2.534 1148 G HA2 -0.132 3.833 3.960 0.007 0.000 0.217 1148 G HA3 -0.132 3.833 3.960 0.007 0.000 0.217 1148 G C 1.421 176.205 174.900 -0.193 0.000 1.128 1148 G CA 0.783 45.796 45.100 -0.145 0.000 0.784 1148 G HN 0.344 nan 8.290 nan 0.000 0.542 1149 S N -0.180 115.347 115.700 -0.289 0.000 2.559 1149 S HA 0.532 5.006 4.470 0.007 0.000 0.226 1149 S C 1.137 175.552 174.600 -0.309 0.000 1.000 1149 S CA -0.005 58.019 58.200 -0.294 0.000 0.948 1149 S CB 0.724 63.718 63.200 -0.344 0.000 0.870 1149 S HN 0.561 nan 8.310 nan 0.000 0.497 1150 A N 1.792 124.418 122.820 -0.324 0.000 2.498 1150 A HA 0.691 5.015 4.320 0.007 0.000 0.239 1150 A C 0.336 177.817 177.584 -0.172 0.000 1.068 1150 A CA 0.210 52.089 52.037 -0.264 0.000 0.766 1150 A CB 0.032 18.958 19.000 -0.123 0.000 1.003 1150 A HN 0.554 nan 8.150 nan 0.000 0.497 1151 A N 1.300 124.018 122.820 -0.169 0.000 2.566 1151 A HA 0.674 4.999 4.320 0.007 0.000 0.292 1151 A C -1.232 176.322 177.584 -0.051 0.000 1.112 1151 A CA -0.595 51.423 52.037 -0.032 0.000 0.707 1151 A CB 0.611 19.663 19.000 0.088 0.000 1.302 1151 A HN 0.724 nan 8.150 nan 0.000 0.409 1152 Y N 0.562 120.967 120.300 0.175 0.000 2.309 1152 Y HA 0.406 4.960 4.550 0.007 0.000 0.327 1152 Y C 0.408 176.448 175.900 0.233 0.000 1.172 1152 Y CA -0.174 58.017 58.100 0.152 0.000 1.280 1152 Y CB 0.758 39.269 38.460 0.084 0.000 1.234 1152 Y HN 0.396 nan 8.280 nan 0.000 0.512 1153 L N 3.753 125.166 121.223 0.318 0.000 2.331 1153 L HA 0.257 4.601 4.340 0.007 0.000 0.278 1153 L C -0.102 176.860 176.870 0.153 0.000 1.106 1153 L CA -0.457 54.526 54.840 0.238 0.000 0.824 1153 L CB 0.358 42.525 42.059 0.180 0.000 1.142 1153 L HN 0.711 nan 8.230 nan 0.000 0.443 1154 E N 1.767 122.004 120.200 0.061 0.000 2.317 1154 E HA 0.391 4.745 4.350 0.007 0.000 0.270 1154 E C -0.879 175.716 176.600 -0.010 0.000 0.885 1154 E CA -1.220 55.189 56.400 0.015 0.000 0.760 1154 E CB 2.195 31.883 29.700 -0.019 0.000 1.227 1154 E HN 0.225 nan 8.360 nan 0.000 0.434 1155 R N 0.502 120.998 120.500 -0.006 0.000 2.446 1155 R HA 0.189 4.534 4.340 0.007 0.000 0.314 1155 R C 0.763 177.051 176.300 -0.021 0.000 1.003 1155 R CA 1.620 57.716 56.100 -0.007 0.000 1.018 1155 R CB -0.368 29.930 30.300 -0.004 0.000 0.945 1155 R HN 0.815 nan 8.270 nan 0.000 0.419 1156 G N 3.062 111.851 108.800 -0.019 0.000 2.143 1156 G HA2 -0.325 3.640 3.960 0.007 0.000 0.248 1156 G HA3 -0.325 3.640 3.960 0.007 0.000 0.248 1156 G C -0.091 174.782 174.900 -0.044 0.000 0.991 1156 G CA 0.472 45.558 45.100 -0.024 0.000 0.689 1156 G HN 0.602 nan 8.290 nan 0.000 0.522 1157 K N -0.027 120.326 120.400 -0.079 0.000 2.138 1157 K HA 0.782 5.106 4.320 0.007 0.000 0.263 1157 K C -0.011 176.463 176.600 -0.210 0.000 0.965 1157 K CA -0.883 55.314 56.287 -0.150 0.000 0.868 1157 K CB 0.727 33.092 32.500 -0.224 0.000 1.083 1157 K HN 0.177 nan 8.250 nan 0.000 0.443 1158 L N 3.576 124.668 121.223 -0.218 0.000 2.341 1158 L HA 0.508 4.853 4.340 0.007 0.000 0.267 1158 L C -0.785 175.787 176.870 -0.497 0.000 1.009 1158 L CA -1.128 53.512 54.840 -0.333 0.000 0.819 1158 L CB 1.453 43.317 42.059 -0.326 0.000 1.323 1158 L HN 0.572 nan 8.230 nan 0.000 0.425 1159 F N 0.400 120.024 119.950 -0.544 0.000 2.404 1159 F HA 0.274 4.805 4.527 0.007 0.000 0.339 1159 F C 0.187 175.633 175.800 -0.589 0.000 1.105 1159 F CA 0.039 57.709 58.000 -0.549 0.000 1.087 1159 F CB 0.931 39.381 39.000 -0.918 0.000 1.143 1159 F HN 0.296 nan 8.300 nan 0.000 0.491 1160 Y N -0.093 120.192 120.300 -0.026 0.000 2.481 1160 Y HA 0.161 4.715 4.550 0.007 0.000 0.247 1160 Y C 0.671 176.624 175.900 0.087 0.000 1.151 1160 Y CA -0.344 57.764 58.100 0.014 0.000 1.238 1160 Y CB 0.596 39.053 38.460 -0.005 0.000 1.179 1160 Y HN 0.474 nan 8.280 nan 0.000 0.524 1161 T N -2.800 111.898 114.554 0.241 0.000 2.893 1161 T HA 0.433 4.787 4.350 0.007 0.000 0.291 1161 T C -1.141 173.776 174.700 0.362 0.000 1.028 1161 T CA -0.694 61.553 62.100 0.245 0.000 0.995 1161 T CB 2.013 70.984 68.868 0.171 0.000 1.051 1161 T HN -0.020 nan 8.240 nan 0.000 0.470 1162 F N 1.544 121.608 119.950 0.189 0.000 2.410 1162 F HA 0.524 5.055 4.527 0.007 0.000 0.349 1162 F C 0.413 176.255 175.800 0.071 0.000 1.117 1162 F CA -1.385 56.713 58.000 0.163 0.000 1.104 1162 F CB 0.659 39.706 39.000 0.079 0.000 1.122 1162 F HN 0.780 nan 8.300 nan 0.000 0.483 1163 C N 4.538 123.516 119.300 -0.537 0.000 3.243 1163 C HA 0.443 4.907 4.460 0.007 0.000 0.286 1163 C C 1.345 175.978 174.990 -0.596 0.000 1.373 1163 C CA -0.013 58.755 59.018 -0.416 0.000 1.749 1163 C CB -0.918 26.670 27.740 -0.254 0.000 2.313 1163 C HN 0.983 nan 8.230 nan 0.000 0.644 1164 G N 0.634 108.718 108.800 -1.193 0.000 2.695 1164 G HA2 0.469 4.433 3.960 0.007 0.000 0.213 1164 G HA3 0.469 4.433 3.960 0.007 0.000 0.213 1164 G C -0.634 174.073 174.900 -0.322 0.000 1.406 1164 G CA 0.102 44.735 45.100 -0.778 0.000 1.049 1164 G HN 0.244 nan 8.290 nan 0.000 0.573 1165 T N 1.473 116.016 114.554 -0.017 0.000 2.744 1165 T HA 0.231 4.585 4.350 0.007 0.000 0.291 1165 T C 1.418 176.390 174.700 0.453 0.000 0.957 1165 T CA -0.443 61.767 62.100 0.185 0.000 1.002 1165 T CB 1.344 70.279 68.868 0.113 0.000 0.919 1165 T HN 0.218 nan 8.240 nan 0.000 0.468 1166 I N 2.370 123.177 120.570 0.395 0.000 2.756 1166 I HA -0.077 4.097 4.170 0.007 0.000 0.262 1166 I C 1.845 178.084 176.117 0.204 0.000 1.225 1166 I CA 1.306 62.787 61.300 0.301 0.000 1.472 1166 I CB -0.480 37.625 38.000 0.175 0.000 1.094 1166 I HN 0.697 nan 8.210 nan 0.000 0.454 1167 E N -0.459 119.904 120.200 0.272 0.000 2.418 1167 E HA -0.165 4.189 4.350 0.007 0.000 0.197 1167 E C 1.058 177.749 176.600 0.153 0.000 1.026 1167 E CA 0.817 57.341 56.400 0.206 0.000 0.862 1167 E CB -0.083 29.744 29.700 0.211 0.000 0.799 1167 E HN 0.470 nan 8.360 nan 0.000 0.518 1168 Y N -1.168 119.280 120.300 0.246 0.000 2.467 1168 Y HA 0.209 4.763 4.550 0.007 0.000 0.250 1168 Y C 0.346 176.462 175.900 0.361 0.000 1.155 1168 Y CA -0.957 57.331 58.100 0.313 0.000 1.249 1168 Y CB 0.376 38.983 38.460 0.245 0.000 1.146 1168 Y HN -0.013 nan 8.280 nan 0.000 0.524 1169 C N 2.150 121.596 119.300 0.244 0.000 2.514 1169 C HA 0.719 5.183 4.460 0.007 0.000 0.392 1169 C C 1.047 175.700 174.990 -0.562 0.000 1.294 1169 C CA -0.982 57.904 59.018 -0.220 0.000 1.957 1169 C CB -1.256 26.112 27.740 -0.619 0.000 2.541 1169 C HN 0.487 nan 8.230 nan 0.000 0.569 1170 A N 8.665 130.980 122.820 -0.842 0.000 2.445 1170 A HA 0.391 4.715 4.320 0.007 0.000 0.242 1170 A C -0.921 176.040 177.584 -1.038 0.000 1.075 1170 A CA -0.703 50.476 52.037 -1.431 0.000 0.777 1170 A CB 0.081 18.611 19.000 -0.783 0.000 1.013 1170 A HN 0.794 nan 8.150 nan 0.000 0.493 1171 P HA -0.245 nan 4.420 nan 0.000 0.216 1171 P C 1.180 178.213 177.300 -0.444 0.000 1.153 1171 P CA 1.733 64.430 63.100 -0.671 0.000 0.858 1171 P CB -0.026 31.313 31.700 -0.602 0.000 0.789 1172 E N 0.312 120.278 120.200 -0.390 0.000 2.209 1172 E HA -0.107 4.247 4.350 0.007 0.000 0.196 1172 E C 1.789 178.253 176.600 -0.226 0.000 0.993 1172 E CA 1.275 57.528 56.400 -0.244 0.000 0.819 1172 E CB -1.228 28.369 29.700 -0.171 0.000 0.745 1172 E HN 0.138 nan 8.360 nan 0.000 0.477 1173 V N 1.268 120.990 119.914 -0.320 0.000 2.599 1173 V HA -0.081 4.043 4.120 0.007 0.000 0.245 1173 V C 2.557 178.457 176.094 -0.324 0.000 1.046 1173 V CA 0.724 62.844 62.300 -0.299 0.000 1.065 1173 V CB -0.378 31.176 31.823 -0.449 0.000 0.703 1173 V HN 0.139 nan 8.190 nan 0.000 0.464 1174 L N -0.495 120.491 121.223 -0.396 0.000 2.349 1174 L HA -0.139 4.205 4.340 0.007 0.000 0.220 1174 L C 2.124 178.873 176.870 -0.203 0.000 1.130 1174 L CA 1.445 56.098 54.840 -0.312 0.000 0.791 1174 L CB -0.361 41.501 42.059 -0.328 0.000 0.918 1174 L HN 0.349 nan 8.230 nan 0.000 0.444 1175 M N -1.143 118.344 119.600 -0.188 0.000 2.431 1175 M HA 0.209 4.693 4.480 0.007 0.000 0.237 1175 M C 1.156 177.403 176.300 -0.088 0.000 1.130 1175 M CA 0.587 55.809 55.300 -0.129 0.000 1.002 1175 M CB 0.567 33.088 32.600 -0.131 0.000 1.524 1175 M HN 0.328 nan 8.290 nan 0.000 0.482 1176 G N 1.206 109.955 108.800 -0.084 0.000 2.131 1176 G HA2 -0.189 3.775 3.960 0.007 0.000 0.223 1176 G HA3 -0.189 3.775 3.960 0.007 0.000 0.223 1176 G C -0.431 174.457 174.900 -0.020 0.000 0.990 1176 G CA -0.522 44.557 45.100 -0.035 0.000 0.671 1176 G HN 0.463 nan 8.290 nan 0.000 0.521 1177 N N 1.491 120.168 118.700 -0.037 0.000 2.438 1177 N HA 0.464 5.208 4.740 0.007 0.000 0.282 1177 N C -2.600 172.898 175.510 -0.020 0.000 1.037 1177 N CA -1.065 51.964 53.050 -0.035 0.000 0.942 1177 N CB 1.573 40.033 38.487 -0.045 0.000 1.136 1177 N HN 0.064 nan 8.380 nan 0.000 0.481 1178 P HA 0.065 nan 4.420 nan 0.000 0.269 1178 P C -0.975 176.240 177.300 -0.141 0.000 1.209 1178 P CA 0.254 63.159 63.100 -0.325 0.000 0.776 1178 P CB 0.166 31.339 31.700 -0.879 0.000 0.876 1179 Y N -0.694 119.548 120.300 -0.096 0.000 2.524 1179 Y HA 0.604 5.158 4.550 0.007 0.000 0.344 1179 Y C 1.304 177.267 175.900 0.105 0.000 1.012 1179 Y CA -1.324 56.782 58.100 0.009 0.000 1.068 1179 Y CB 1.259 39.747 38.460 0.046 0.000 1.249 1179 Y HN 0.155 nan 8.280 nan 0.000 0.468 1180 R N 0.784 121.424 120.500 0.233 0.000 2.073 1180 R HA 0.227 4.571 4.340 0.007 0.000 0.229 1180 R C 1.046 177.591 176.300 0.409 0.000 1.120 1180 R CA 1.853 58.075 56.100 0.204 0.000 0.967 1180 R CB -0.423 29.957 30.300 0.132 0.000 0.862 1180 R HN 1.251 nan 8.270 nan 0.000 0.436 1181 G N -1.467 107.627 108.800 0.491 0.000 3.426 1181 G HA2 -0.173 3.791 3.960 0.007 0.000 0.196 1181 G HA3 -0.173 3.791 3.960 0.007 0.000 0.196 1181 G C -1.575 173.459 174.900 0.223 0.000 1.763 1181 G CA -0.019 45.336 45.100 0.424 0.000 1.210 1181 G HN 0.211 nan 8.290 nan 0.000 0.472 1182 P HA -0.030 nan 4.420 nan 0.000 0.215 1182 P C 1.443 178.813 177.300 0.116 0.000 1.163 1182 P CA 2.129 65.303 63.100 0.123 0.000 0.894 1182 P CB -0.168 31.596 31.700 0.108 0.000 0.791 1183 E N -1.025 119.246 120.200 0.118 0.000 2.106 1183 E HA -0.128 4.226 4.350 0.007 0.000 0.192 1183 E C 1.920 178.593 176.600 0.122 0.000 0.984 1183 E CA 0.671 57.138 56.400 0.112 0.000 0.806 1183 E CB -1.005 28.749 29.700 0.091 0.000 0.750 1183 E HN 0.157 nan 8.360 nan 0.000 0.458 1184 L N 1.090 122.356 121.223 0.073 0.000 2.109 1184 L HA -0.110 4.234 4.340 0.007 0.000 0.207 1184 L C 2.260 179.203 176.870 0.122 0.000 1.086 1184 L CA 1.759 56.614 54.840 0.025 0.000 0.760 1184 L CB -0.224 41.707 42.059 -0.214 0.000 0.910 1184 L HN 0.093 nan 8.230 nan 0.000 0.437 1185 E N -0.697 119.562 120.200 0.098 0.000 2.097 1185 E HA -0.280 4.074 4.350 0.007 0.000 0.196 1185 E C 2.045 178.732 176.600 0.146 0.000 1.000 1185 E CA 1.891 58.355 56.400 0.108 0.000 0.804 1185 E CB -0.062 29.683 29.700 0.075 0.000 0.740 1185 E HN 0.414 nan 8.360 nan 0.000 0.454 1186 M N -0.083 119.609 119.600 0.154 0.000 2.175 1186 M HA -0.141 4.343 4.480 0.007 0.000 0.264 1186 M C 2.083 178.496 176.300 0.188 0.000 1.063 1186 M CA 1.087 56.482 55.300 0.158 0.000 1.119 1186 M CB -1.494 31.191 32.600 0.140 0.000 1.377 1186 M HN 0.460 nan 8.290 nan 0.000 0.415 1187 W N 1.582 122.916 121.300 0.058 0.000 2.358 1187 W HA -0.190 4.474 4.660 0.006 0.000 0.303 1187 W C 2.343 178.917 176.519 0.093 0.000 1.208 1187 W CA 2.324 59.701 57.345 0.053 0.000 1.274 1187 W CB -0.583 28.881 29.460 0.007 0.000 1.138 1187 W HN 0.427 nan 8.180 nan 0.000 0.515 1188 S N 0.548 116.463 115.700 0.358 0.000 2.447 1188 S HA -0.171 4.303 4.470 0.007 0.000 0.233 1188 S C 2.026 176.784 174.600 0.264 0.000 1.006 1188 S CA 1.153 59.574 58.200 0.368 0.000 0.957 1188 S CB -0.858 62.578 63.200 0.394 0.000 0.773 1188 S HN 0.324 nan 8.310 nan 0.000 0.507 1189 L N 1.066 122.404 121.223 0.192 0.000 2.156 1189 L HA 0.124 4.468 4.340 0.007 0.000 0.208 1189 L C 2.907 179.868 176.870 0.152 0.000 1.095 1189 L CA 0.941 55.926 54.840 0.242 0.000 0.770 1189 L CB -0.914 41.305 42.059 0.267 0.000 0.914 1189 L HN 0.531 nan 8.230 nan 0.000 0.439 1190 G N -0.441 108.342 108.800 -0.029 0.000 2.402 1190 G HA2 -0.167 3.798 3.960 0.007 0.000 0.216 1190 G HA3 -0.167 3.798 3.960 0.007 0.000 0.216 1190 G C 1.554 176.316 174.900 -0.229 0.000 1.162 1190 G CA 0.839 45.815 45.100 -0.205 0.000 0.777 1190 G HN 0.178 nan 8.290 nan 0.000 0.539 1191 V N 1.059 120.819 119.914 -0.257 0.000 2.358 1191 V HA -0.167 3.958 4.120 0.007 0.000 0.246 1191 V C 3.124 179.199 176.094 -0.031 0.000 1.047 1191 V CA 2.300 64.447 62.300 -0.255 0.000 1.035 1191 V CB -1.071 30.477 31.823 -0.458 0.000 0.658 1191 V HN 0.363 nan 8.190 nan 0.000 0.452 1192 T N 0.765 115.429 114.554 0.184 0.000 2.746 1192 T HA -0.186 4.168 4.350 0.007 0.000 0.267 1192 T C 1.912 176.676 174.700 0.108 0.000 1.039 1192 T CA 1.867 64.138 62.100 0.284 0.000 1.142 1192 T CB -0.368 68.699 68.868 0.332 0.000 0.866 1192 T HN 0.299 nan 8.240 nan 0.000 0.444 1193 L N 0.344 121.528 121.223 -0.064 0.000 1.994 1193 L HA -0.059 4.285 4.340 0.007 0.000 0.208 1193 L C 2.155 178.878 176.870 -0.245 0.000 1.071 1193 L CA 1.761 56.368 54.840 -0.388 0.000 0.745 1193 L CB -1.070 40.486 42.059 -0.838 0.000 0.892 1193 L HN 0.270 nan 8.230 nan 0.000 0.431 1194 Y N 0.314 120.464 120.300 -0.251 0.000 2.165 1194 Y HA -0.288 4.266 4.550 0.007 0.000 0.286 1194 Y C 2.444 178.310 175.900 -0.056 0.000 1.155 1194 Y CA 2.489 60.515 58.100 -0.124 0.000 1.164 1194 Y CB -0.714 37.642 38.460 -0.174 0.000 0.978 1194 Y HN 0.296 nan 8.280 nan 0.000 0.513 1195 T N 0.788 115.438 114.554 0.161 0.000 2.821 1195 T HA -0.188 4.166 4.350 0.007 0.000 0.267 1195 T C 1.823 176.549 174.700 0.043 0.000 1.046 1195 T CA 1.319 63.493 62.100 0.123 0.000 1.139 1195 T CB -0.659 68.304 68.868 0.159 0.000 0.871 1195 T HN 0.330 nan 8.240 nan 0.000 0.454 1196 L N 1.990 123.229 121.223 0.027 0.000 1.994 1196 L HA -0.056 4.289 4.340 0.007 0.000 0.208 1196 L C 2.602 179.448 176.870 -0.041 0.000 1.071 1196 L CA 1.781 56.647 54.840 0.043 0.000 0.745 1196 L CB -0.735 41.368 42.059 0.073 0.000 0.892 1196 L HN 0.233 nan 8.230 nan 0.000 0.431 1197 V N -2.436 117.343 119.914 -0.225 0.000 2.446 1197 V HA -0.108 4.017 4.120 0.007 0.000 0.244 1197 V C 2.051 177.919 176.094 -0.377 0.000 1.039 1197 V CA 1.444 63.522 62.300 -0.370 0.000 1.045 1197 V CB -0.759 30.680 31.823 -0.639 0.000 0.681 1197 V HN 0.337 nan 8.190 nan 0.000 0.459 1198 F N 0.933 120.695 119.950 -0.313 0.000 2.754 1198 F HA 0.408 4.939 4.527 0.007 0.000 0.297 1198 F C 1.382 176.936 175.800 -0.411 0.000 1.122 1198 F CA 0.249 57.911 58.000 -0.562 0.000 1.400 1198 F CB -0.581 37.841 39.000 -0.963 0.000 1.117 1198 F HN 0.281 nan 8.300 nan 0.000 0.587 1199 E N 0.858 121.037 120.200 -0.035 0.000 2.513 1199 E HA -0.248 4.106 4.350 0.007 0.000 0.257 1199 E C -0.263 176.329 176.600 -0.012 0.000 1.098 1199 E CA 0.801 57.198 56.400 -0.005 0.000 0.752 1199 E CB -1.743 28.000 29.700 0.071 0.000 1.324 1199 E HN 0.734 nan 8.360 nan 0.000 0.403 1200 E N -0.969 119.249 120.200 0.030 0.000 2.388 1200 E HA 0.351 4.706 4.350 0.007 0.000 0.281 1200 E C -0.984 175.691 176.600 0.125 0.000 1.046 1200 E CA -1.127 55.303 56.400 0.050 0.000 0.825 1200 E CB 0.841 30.552 29.700 0.017 0.000 1.243 1200 E HN -0.049 nan 8.360 nan 0.000 0.438 1201 N N 2.602 121.323 118.700 0.035 0.000 2.492 1201 N HA 0.077 4.821 4.740 0.007 0.000 0.260 1201 N C -1.582 173.750 175.510 -0.297 0.000 1.215 1201 N CA -1.038 51.963 53.050 -0.081 0.000 0.923 1201 N CB 0.627 39.079 38.487 -0.059 0.000 1.092 1201 N HN 0.453 nan 8.380 nan 0.000 0.448 1202 P HA 0.005 nan 4.420 nan 0.000 0.223 1202 P C -0.513 176.036 177.300 -1.252 0.000 1.151 1202 P CA 1.138 63.280 63.100 -1.598 0.000 0.787 1202 P CB 0.200 30.466 31.700 -2.391 0.000 0.788 1203 F N -1.579 118.222 119.950 -0.247 0.000 2.539 1203 F HA 0.245 4.776 4.527 0.007 0.000 0.328 1203 F C 1.377 177.134 175.800 -0.072 0.000 1.148 1203 F CA -0.939 56.985 58.000 -0.126 0.000 0.940 1203 F CB 0.151 39.103 39.000 -0.079 0.000 1.194 1203 F HN -0.221 nan 8.300 nan 0.000 0.438 1204 C N 0.206 119.562 119.300 0.094 0.000 2.429 1204 C HA -0.048 4.416 4.460 0.007 0.000 0.277 1204 C C 0.962 175.994 174.990 0.071 0.000 1.262 1204 C CA 0.793 59.847 59.018 0.060 0.000 1.733 1204 C CB -0.658 27.104 27.740 0.035 0.000 2.010 1204 C HN 0.608 nan 8.230 nan 0.000 0.483 1205 E N 0.450 120.699 120.200 0.081 0.000 2.212 1205 E HA 0.283 4.637 4.350 0.007 0.000 0.268 1205 E C 0.396 177.014 176.600 0.030 0.000 0.902 1205 E CA -0.620 55.808 56.400 0.045 0.000 0.779 1205 E CB 1.054 30.768 29.700 0.023 0.000 1.172 1205 E HN -0.081 nan 8.360 nan 0.000 0.409 1206 L N 1.655 122.877 121.223 -0.002 0.000 2.127 1206 L HA -0.157 4.187 4.340 0.007 0.000 0.211 1206 L C 1.765 178.562 176.870 -0.121 0.000 1.089 1206 L CA 1.716 56.523 54.840 -0.054 0.000 0.757 1206 L CB -0.658 41.368 42.059 -0.055 0.000 0.899 1206 L HN 0.614 nan 8.230 nan 0.000 0.434 1207 E N -0.530 119.616 120.200 -0.091 0.000 2.285 1207 E HA -0.174 4.180 4.350 0.007 0.000 0.194 1207 E C 1.588 178.112 176.600 -0.128 0.000 0.997 1207 E CA 0.594 56.927 56.400 -0.111 0.000 0.845 1207 E CB 0.078 29.736 29.700 -0.071 0.000 0.782 1207 E HN 0.645 nan 8.360 nan 0.000 0.491 1208 E N 0.465 120.606 120.200 -0.098 0.000 2.526 1208 E HA -0.077 4.277 4.350 0.007 0.000 0.198 1208 E C 1.431 177.856 176.600 -0.292 0.000 1.091 1208 E CA 0.645 56.998 56.400 -0.078 0.000 0.880 1208 E CB 0.074 29.814 29.700 0.066 0.000 0.873 1208 E HN -0.089 nan 8.360 nan 0.000 0.527 1209 T N 0.118 114.386 114.554 -0.477 0.000 3.067 1209 T HA -0.028 4.326 4.350 0.007 0.000 0.261 1209 T C 1.736 176.173 174.700 -0.439 0.000 1.110 1209 T CA 0.977 62.617 62.100 -0.767 0.000 1.113 1209 T CB 0.116 68.609 68.868 -0.626 0.000 0.917 1209 T HN 0.338 nan 8.240 nan 0.000 0.499 1210 V N -0.251 119.490 119.914 -0.288 0.000 2.488 1210 V HA 0.195 4.319 4.120 0.007 0.000 0.246 1210 V C 2.443 178.467 176.094 -0.117 0.000 1.046 1210 V CA 2.043 64.223 62.300 -0.200 0.000 1.053 1210 V CB -1.348 30.380 31.823 -0.157 0.000 0.679 1210 V HN 0.485 nan 8.190 nan 0.000 0.458 1211 E N 0.470 120.617 120.200 -0.088 0.000 2.112 1211 E HA 0.357 4.711 4.350 0.007 0.000 0.190 1211 E C 1.839 178.447 176.600 0.013 0.000 0.979 1211 E CA 1.778 58.163 56.400 -0.026 0.000 0.814 1211 E CB -0.848 28.852 29.700 -0.000 0.000 0.762 1211 E HN 2.256 nan 8.360 nan 0.000 0.460 1212 A N -1.219 121.598 122.820 -0.005 0.000 2.791 1212 A HA 0.113 4.438 4.320 0.007 0.000 0.292 1212 A C 0.949 178.688 177.584 0.259 0.000 1.487 1212 A CA 0.951 53.081 52.037 0.155 0.000 0.760 1212 A CB -2.418 16.728 19.000 0.242 0.000 1.031 1212 A HN 1.804 nan 8.150 nan 0.000 0.503 1213 A N 0.207 123.147 122.820 0.200 0.000 2.354 1213 A HA 0.604 4.928 4.320 0.007 0.000 0.281 1213 A C 0.344 177.893 177.584 -0.058 0.000 1.174 1213 A CA 0.255 52.311 52.037 0.031 0.000 0.828 1213 A CB -0.200 18.822 19.000 0.036 0.000 1.099 1213 A HN 1.798 nan 8.150 nan 0.000 0.516 1214 I N 0.299 120.700 120.570 -0.282 0.000 2.404 1214 I HA 0.518 4.692 4.170 0.007 0.000 0.293 1214 I C -0.701 175.084 176.117 -0.555 0.000 0.992 1214 I CA -0.562 60.503 61.300 -0.392 0.000 1.149 1214 I CB 1.544 39.325 38.000 -0.364 0.000 1.315 1214 I HN 0.570 nan 8.210 nan 0.000 0.446 1215 H N 5.210 124.174 119.070 -0.176 0.000 2.645 1215 H HA 0.383 4.943 4.556 0.007 0.000 0.257 1215 H C -2.444 172.730 175.328 -0.257 0.000 1.269 1215 H CA -1.602 54.345 56.048 -0.169 0.000 1.409 1215 H CB 0.663 30.353 29.762 -0.120 0.000 1.434 1215 H HN 0.480 nan 8.280 nan 0.000 0.505 1216 P HA 0.047 nan 4.420 nan 0.000 0.271 1216 P C -1.578 175.401 177.300 -0.535 0.000 1.220 1216 P CA -1.132 61.462 63.100 -0.843 0.000 0.768 1216 P CB 1.000 31.994 31.700 -1.177 0.000 0.848 1217 P HA -0.060 nan 4.420 nan 0.000 0.225 1217 P C -0.349 176.965 177.300 0.022 0.000 1.156 1217 P CA 1.261 64.203 63.100 -0.263 0.000 0.787 1217 P CB 0.226 31.694 31.700 -0.386 0.000 0.802 1218 Y N -0.542 119.789 120.300 0.052 0.000 2.446 1218 Y HA 0.443 4.997 4.550 0.007 0.000 0.338 1218 Y C 0.439 176.432 175.900 0.156 0.000 1.055 1218 Y CA -2.717 55.475 58.100 0.153 0.000 1.101 1218 Y CB 0.436 39.043 38.460 0.244 0.000 1.221 1218 Y HN -0.286 nan 8.280 nan 0.000 0.460 1219 L N 4.291 125.664 121.223 0.249 0.000 2.319 1219 L HA 0.591 4.935 4.340 0.007 0.000 0.280 1219 L C -0.223 176.738 176.870 0.153 0.000 1.099 1219 L CA -0.216 54.716 54.840 0.153 0.000 0.828 1219 L CB 0.062 42.170 42.059 0.081 0.000 1.150 1219 L HN 0.481 nan 8.230 nan 0.000 0.442 1220 V N 1.559 121.560 119.914 0.145 0.000 3.155 1220 V HA 0.794 4.919 4.120 0.007 0.000 0.313 1220 V C 0.109 176.239 176.094 0.061 0.000 1.162 1220 V CA -0.393 61.961 62.300 0.090 0.000 1.048 1220 V CB 1.375 33.227 31.823 0.047 0.000 1.092 1220 V HN 0.882 nan 8.190 nan 0.000 0.447 1221 S N 0.363 116.098 115.700 0.057 0.000 2.580 1221 S HA 0.393 4.867 4.470 0.007 0.000 0.266 1221 S C 1.279 175.895 174.600 0.028 0.000 1.354 1221 S CA 0.404 58.641 58.200 0.061 0.000 1.008 1221 S CB 0.842 64.111 63.200 0.115 0.000 0.898 1221 S HN 1.746 nan 8.310 nan 0.000 0.555 1222 K N 0.862 121.281 120.400 0.032 0.000 2.211 1222 K HA -0.042 4.283 4.320 0.007 0.000 0.203 1222 K C 1.774 178.378 176.600 0.006 0.000 1.050 1222 K CA 1.908 58.204 56.287 0.015 0.000 0.945 1222 K CB -1.204 31.309 32.500 0.023 0.000 0.732 1222 K HN 0.824 nan 8.250 nan 0.000 0.451 1223 E N -0.257 119.965 120.200 0.038 0.000 2.152 1223 E HA 0.012 4.366 4.350 0.007 0.000 0.192 1223 E C 1.877 178.436 176.600 -0.068 0.000 0.983 1223 E CA 0.785 57.220 56.400 0.058 0.000 0.818 1223 E CB -0.022 29.784 29.700 0.177 0.000 0.758 1223 E HN 0.397 nan 8.360 nan 0.000 0.467 1224 L N -0.253 120.829 121.223 -0.236 0.000 2.095 1224 L HA 0.018 4.362 4.340 0.007 0.000 0.204 1224 L C 2.032 178.685 176.870 -0.361 0.000 1.080 1224 L CA 1.535 55.986 54.840 -0.648 0.000 0.759 1224 L CB -0.359 41.233 42.059 -0.779 0.000 0.914 1224 L HN 0.141 nan 8.230 nan 0.000 0.439 1225 M N -0.597 118.898 119.600 -0.175 0.000 2.108 1225 M HA -0.193 4.291 4.480 0.007 0.000 0.261 1225 M C 2.444 178.688 176.300 -0.092 0.000 1.066 1225 M CA 2.094 57.336 55.300 -0.097 0.000 1.107 1225 M CB -0.386 32.187 32.600 -0.044 0.000 1.356 1225 M HN 0.537 nan 8.290 nan 0.000 0.406 1226 S N -0.598 115.057 115.700 -0.076 0.000 2.428 1226 S HA -0.090 4.384 4.470 0.007 0.000 0.230 1226 S C 1.815 176.380 174.600 -0.059 0.000 1.014 1226 S CA 0.982 59.153 58.200 -0.049 0.000 0.957 1226 S CB -0.921 62.269 63.200 -0.018 0.000 0.784 1226 S HN 0.482 nan 8.310 nan 0.000 0.499 1227 L N 2.858 124.019 121.223 -0.102 0.000 1.994 1227 L HA 0.009 4.354 4.340 0.007 0.000 0.208 1227 L C 2.617 179.402 176.870 -0.141 0.000 1.071 1227 L CA 2.100 56.874 54.840 -0.110 0.000 0.745 1227 L CB -0.887 41.064 42.059 -0.180 0.000 0.892 1227 L HN 0.351 nan 8.230 nan 0.000 0.431 1228 V N -3.286 116.505 119.914 -0.205 0.000 2.427 1228 V HA -0.149 3.976 4.120 0.007 0.000 0.248 1228 V C 2.280 178.300 176.094 -0.124 0.000 1.051 1228 V CA 1.959 64.153 62.300 -0.176 0.000 1.048 1228 V CB -1.094 30.649 31.823 -0.133 0.000 0.666 1228 V HN 0.475 nan 8.190 nan 0.000 0.456 1229 S N 1.314 116.960 115.700 -0.090 0.000 2.402 1229 S HA 0.023 4.498 4.470 0.007 0.000 0.229 1229 S C 1.979 176.555 174.600 -0.039 0.000 1.021 1229 S CA 1.434 59.596 58.200 -0.064 0.000 0.974 1229 S CB -0.746 62.425 63.200 -0.049 0.000 0.800 1229 S HN 0.854 nan 8.310 nan 0.000 0.484 1230 G N 1.317 110.098 108.800 -0.031 0.000 2.403 1230 G HA2 -0.056 3.908 3.960 0.007 0.000 0.216 1230 G HA3 -0.056 3.908 3.960 0.007 0.000 0.216 1230 G C 1.291 176.198 174.900 0.011 0.000 1.154 1230 G CA 0.342 45.443 45.100 0.002 0.000 0.784 1230 G HN 0.431 nan 8.290 nan 0.000 0.538 1231 L N -0.307 120.901 121.223 -0.025 0.000 2.179 1231 L HA 0.231 4.575 4.340 0.007 0.000 0.208 1231 L C 1.614 178.417 176.870 -0.111 0.000 1.096 1231 L CA 0.351 55.174 54.840 -0.029 0.000 0.779 1231 L CB -0.037 41.992 42.059 -0.051 0.000 0.922 1231 L HN 0.108 nan 8.230 nan 0.000 0.443 1232 L N 0.568 121.664 121.223 -0.211 0.000 3.036 1232 L HA 0.158 4.502 4.340 0.007 0.000 0.237 1232 L C 0.119 176.984 176.870 -0.009 0.000 1.319 1232 L CA -0.352 54.223 54.840 -0.443 0.000 1.112 1232 L CB 0.004 41.761 42.059 -0.503 0.000 1.480 1232 L HN 0.153 nan 8.230 nan 0.000 0.506 1233 Q N 1.289 121.189 119.800 0.166 0.000 2.274 1233 Q HA 0.248 4.592 4.340 0.007 0.000 0.256 1233 Q C -1.935 174.259 176.000 0.324 0.000 0.927 1233 Q CA -1.659 54.266 55.803 0.203 0.000 0.939 1233 Q CB 1.535 30.343 28.738 0.117 0.000 1.201 1233 Q HN -0.072 nan 8.270 nan 0.000 0.426 1234 P HA -0.061 nan 4.420 nan 0.000 0.221 1234 P C -0.428 176.868 177.300 -0.007 0.000 1.150 1234 P CA 0.443 63.592 63.100 0.082 0.000 0.800 1234 P CB 0.232 31.934 31.700 0.003 0.000 0.787 1235 V N 3.589 123.519 119.914 0.027 0.000 2.405 1235 V HA 0.077 4.202 4.120 0.007 0.000 0.264 1235 V C -1.012 175.100 176.094 0.030 0.000 1.048 1235 V CA -1.026 61.279 62.300 0.008 0.000 0.966 1235 V CB 0.616 32.446 31.823 0.011 0.000 1.015 1235 V HN 0.086 nan 8.190 nan 0.000 0.477 1236 P HA -0.176 nan 4.420 nan 0.000 0.218 1236 P C 1.140 178.468 177.300 0.047 0.000 1.148 1236 P CA 1.202 64.321 63.100 0.032 0.000 0.822 1236 P CB 0.347 32.050 31.700 0.006 0.000 0.784 1237 E N 0.149 120.369 120.200 0.033 0.000 2.371 1237 E HA -0.076 4.278 4.350 0.007 0.000 0.194 1237 E C 1.738 178.361 176.600 0.038 0.000 1.012 1237 E CA 0.504 56.924 56.400 0.034 0.000 0.860 1237 E CB -0.532 29.182 29.700 0.024 0.000 0.811 1237 E HN 0.330 nan 8.360 nan 0.000 0.502 1238 R N 0.806 121.330 120.500 0.041 0.000 2.317 1238 R HA 0.183 4.527 4.340 0.007 0.000 0.208 1238 R C 0.920 177.254 176.300 0.056 0.000 0.914 1238 R CA -0.230 55.895 56.100 0.043 0.000 1.060 1238 R CB 0.293 30.615 30.300 0.037 0.000 1.015 1238 R HN -0.020 nan 8.270 nan 0.000 0.498 1239 R N 1.527 122.070 120.500 0.072 0.000 2.390 1239 R HA 0.080 4.424 4.340 0.007 0.000 0.291 1239 R C -0.516 175.831 176.300 0.078 0.000 1.070 1239 R CA -0.044 56.110 56.100 0.091 0.000 1.014 1239 R CB 0.812 31.190 30.300 0.131 0.000 1.007 1239 R HN -0.139 nan 8.270 nan 0.000 0.466 1240 T N 2.902 117.500 114.554 0.073 0.000 2.891 1240 T HA -0.092 4.262 4.350 0.007 0.000 0.296 1240 T C 0.445 175.191 174.700 0.078 0.000 1.025 1240 T CA 0.628 62.770 62.100 0.069 0.000 1.149 1240 T CB 0.650 69.559 68.868 0.067 0.000 1.007 1240 T HN 0.554 nan 8.240 nan 0.000 0.528 1241 T N 1.754 116.349 114.554 0.069 0.000 2.881 1241 T HA 0.299 4.653 4.350 0.007 0.000 0.278 1241 T C 1.327 176.066 174.700 0.066 0.000 0.982 1241 T CA -0.937 61.203 62.100 0.067 0.000 0.989 1241 T CB 0.585 69.487 68.868 0.057 0.000 1.058 1241 T HN 0.426 nan 8.240 nan 0.000 0.529 1242 L N 1.984 123.242 121.223 0.059 0.000 2.056 1242 L HA 0.099 4.443 4.340 0.007 0.000 0.207 1242 L C 2.222 179.118 176.870 0.043 0.000 1.078 1242 L CA 1.959 56.828 54.840 0.048 0.000 0.749 1242 L CB -0.903 41.178 42.059 0.037 0.000 0.901 1242 L HN 0.692 nan 8.230 nan 0.000 0.433 1243 E N -0.229 119.997 120.200 0.043 0.000 2.110 1243 E HA -0.227 4.127 4.350 0.007 0.000 0.193 1243 E C 2.150 178.778 176.600 0.046 0.000 0.988 1243 E CA 1.272 57.696 56.400 0.040 0.000 0.804 1243 E CB -0.315 29.407 29.700 0.037 0.000 0.745 1243 E HN 0.443 nan 8.360 nan 0.000 0.458 1244 K N 0.200 120.631 120.400 0.052 0.000 2.103 1244 K HA -0.064 4.260 4.320 0.007 0.000 0.204 1244 K C 1.986 178.630 176.600 0.072 0.000 1.052 1244 K CA 0.585 56.907 56.287 0.058 0.000 0.945 1244 K CB -0.043 32.492 32.500 0.057 0.000 0.722 1244 K HN 0.129 nan 8.250 nan 0.000 0.443 1245 L N 1.030 122.300 121.223 0.079 0.000 2.072 1245 L HA -0.096 4.248 4.340 0.007 0.000 0.205 1245 L C 1.942 178.866 176.870 0.089 0.000 1.079 1245 L CA 1.229 56.131 54.840 0.104 0.000 0.752 1245 L CB -0.350 41.777 42.059 0.112 0.000 0.906 1245 L HN -0.092 nan 8.230 nan 0.000 0.436 1246 V N -0.785 119.161 119.914 0.053 0.000 2.453 1246 V HA -0.321 3.803 4.120 0.007 0.000 0.252 1246 V C 2.458 178.582 176.094 0.051 0.000 1.068 1246 V CA 2.285 64.607 62.300 0.037 0.000 1.070 1246 V CB -0.806 31.033 31.823 0.028 0.000 0.664 1246 V HN 0.601 nan 8.190 nan 0.000 0.461 1247 T N -1.897 112.693 114.554 0.061 0.000 3.065 1247 T HA 0.008 4.362 4.350 0.007 0.000 0.252 1247 T C 0.758 175.505 174.700 0.077 0.000 1.099 1247 T CA -0.178 61.959 62.100 0.060 0.000 1.063 1247 T CB -0.342 68.557 68.868 0.052 0.000 0.948 1247 T HN 0.516 nan 8.240 nan 0.000 0.506 1248 D N 1.725 122.187 120.400 0.104 0.000 2.493 1248 D HA -0.005 4.639 4.640 0.007 0.000 0.240 1248 D C -1.658 174.731 176.300 0.148 0.000 1.142 1248 D CA -1.347 52.735 54.000 0.137 0.000 0.872 1248 D CB 1.712 42.624 40.800 0.186 0.000 1.173 1248 D HN 0.114 nan 8.370 nan 0.000 0.467 1249 P HA -0.088 nan 4.420 nan 0.000 0.218 1249 P C 1.184 178.581 177.300 0.161 0.000 1.149 1249 P CA 0.787 63.962 63.100 0.125 0.000 0.817 1249 P CB 0.034 31.801 31.700 0.112 0.000 0.785 1250 W N 0.040 121.368 121.300 0.047 0.000 2.381 1250 W HA -0.143 4.521 4.660 0.007 0.000 0.301 1250 W C 1.946 178.512 176.519 0.079 0.000 1.205 1250 W CA 1.170 58.544 57.345 0.049 0.000 1.285 1250 W CB -0.719 28.761 29.460 0.033 0.000 1.133 1250 W HN -0.328 nan 8.180 nan 0.000 0.521 1251 V N 0.362 120.485 119.914 0.348 0.000 2.515 1251 V HA -0.264 3.860 4.120 0.007 0.000 0.250 1251 V C 2.125 178.239 176.094 0.034 0.000 1.058 1251 V CA 2.404 64.845 62.300 0.235 0.000 1.064 1251 V CB -1.322 30.669 31.823 0.281 0.000 0.675 1251 V HN 0.427 nan 8.190 nan 0.000 0.461 1252 T N -1.777 112.795 114.554 0.030 0.000 3.069 1252 T HA 0.145 4.499 4.350 0.007 0.000 0.252 1252 T C 0.774 175.456 174.700 -0.030 0.000 1.053 1252 T CA -0.308 61.794 62.100 0.004 0.000 0.964 1252 T CB -0.214 68.672 68.868 0.029 0.000 1.005 1252 T HN 0.695 nan 8.240 nan 0.000 0.532 1253 Q N 1.665 121.413 119.800 -0.087 0.000 2.479 1253 Q HA 0.253 4.597 4.340 0.007 0.000 0.267 1253 Q C -2.592 173.359 176.000 -0.081 0.000 1.071 1253 Q CA -1.485 54.259 55.803 -0.099 0.000 0.935 1253 Q CB -0.579 28.049 28.738 -0.183 0.000 1.295 1253 Q HN 0.107 nan 8.270 nan 0.000 0.476 1254 P HA 0.083 nan 4.420 nan 0.000 0.271 1254 P C -1.275 175.996 177.300 -0.049 0.000 1.220 1254 P CA -0.267 62.809 63.100 -0.040 0.000 0.768 1254 P CB 1.052 32.735 31.700 -0.028 0.000 0.848 1255 V N 3.177 123.069 119.914 -0.038 0.000 2.709 1255 V HA 0.499 4.623 4.120 0.007 0.000 0.308 1255 V C -1.050 175.024 176.094 -0.033 0.000 1.062 1255 V CA -0.821 61.463 62.300 -0.026 0.000 0.901 1255 V CB 2.092 33.889 31.823 -0.045 0.000 1.003 1255 V HN 0.452 nan 8.190 nan 0.000 0.425 1256 N N 5.090 123.781 118.700 -0.015 0.000 2.485 1256 N HA 0.405 5.149 4.740 0.007 0.000 0.243 1256 N C 0.567 176.051 175.510 -0.043 0.000 0.987 1256 N CA -0.322 52.692 53.050 -0.060 0.000 0.940 1256 N CB 1.232 39.658 38.487 -0.102 0.000 1.122 1256 N HN 0.731 nan 8.380 nan 0.000 0.509 1257 L N 2.303 123.498 121.223 -0.047 0.000 2.217 1257 L HA 0.057 4.402 4.340 0.007 0.000 0.211 1257 L C 1.974 178.876 176.870 0.053 0.000 1.107 1257 L CA 0.759 55.609 54.840 0.016 0.000 0.783 1257 L CB -0.186 41.796 42.059 -0.129 0.000 0.919 1257 L HN 0.652 nan 8.230 nan 0.000 0.442 1258 A N -0.170 122.636 122.820 -0.023 0.000 2.216 1258 A HA -0.157 4.167 4.320 0.007 0.000 0.214 1258 A C 1.864 179.395 177.584 -0.088 0.000 1.160 1258 A CA 1.579 53.602 52.037 -0.024 0.000 0.725 1258 A CB -0.980 18.000 19.000 -0.033 0.000 0.784 1258 A HN 0.541 nan 8.150 nan 0.000 0.472 1259 D N -1.955 118.303 120.400 -0.238 0.000 2.348 1259 D HA 0.318 4.962 4.640 0.007 0.000 0.211 1259 D C 0.141 176.098 176.300 -0.572 0.000 0.998 1259 D CA 0.253 53.980 54.000 -0.454 0.000 0.873 1259 D CB -0.289 40.111 40.800 -0.666 0.000 0.925 1259 D HN 0.561 nan 8.370 nan 0.000 0.524 1260 Y N -0.656 119.645 120.300 0.000 0.000 2.429 1260 Y HA 0.575 5.129 4.550 0.007 0.000 0.342 1260 Y C 0.169 176.214 175.900 0.241 0.000 1.004 1260 Y CA -1.223 56.905 58.100 0.047 0.000 1.075 1260 Y CB 2.469 40.832 38.460 -0.162 0.000 1.214 1260 Y HN -0.174 nan 8.280 nan 0.000 0.455 1261 T N 3.069 117.878 114.554 0.424 0.000 2.824 1261 T HA 0.022 4.376 4.350 0.007 0.000 0.282 1261 T C 0.290 175.301 174.700 0.518 0.000 0.993 1261 T CA -0.683 61.656 62.100 0.398 0.000 0.967 1261 T CB 0.923 69.927 68.868 0.226 0.000 0.960 1261 T HN 0.889 nan 8.240 nan 0.000 0.441 1262 W N 3.098 124.566 121.300 0.279 0.000 2.318 1262 W HA -0.225 4.439 4.660 0.006 0.000 0.313 1262 W C 1.810 178.487 176.519 0.264 0.000 1.221 1262 W CA 2.442 59.895 57.345 0.180 0.000 1.266 1262 W CB -0.254 29.140 29.460 -0.109 0.000 1.150 1262 W HN 0.934 nan 8.180 nan 0.000 0.496 1263 E N 0.798 121.168 120.200 0.283 0.000 2.204 1263 E HA -0.221 4.134 4.350 0.007 0.000 0.194 1263 E C 1.663 178.302 176.600 0.065 0.000 0.989 1263 E CA 1.650 58.147 56.400 0.162 0.000 0.824 1263 E CB -0.840 28.972 29.700 0.187 0.000 0.756 1263 E HN 0.653 nan 8.360 nan 0.000 0.477 1264 E N -0.230 120.029 120.200 0.098 0.000 2.170 1264 E HA -0.013 4.342 4.350 0.007 0.000 0.191 1264 E C 2.232 178.856 176.600 0.039 0.000 0.981 1264 E CA 0.902 57.339 56.400 0.061 0.000 0.830 1264 E CB 0.302 30.053 29.700 0.085 0.000 0.775 1264 E HN 0.397 nan 8.360 nan 0.000 0.470 1265 V N 0.584 120.550 119.914 0.085 0.000 2.488 1265 V HA -0.050 4.074 4.120 0.007 0.000 0.246 1265 V C 0.698 176.779 176.094 -0.022 0.000 1.046 1265 V CA 1.097 63.441 62.300 0.075 0.000 1.053 1265 V CB -0.117 31.853 31.823 0.245 0.000 0.679 1265 V HN 0.087 nan 8.190 nan 0.000 0.458 1266 F N 0.000 119.729 119.950 -0.369 0.000 2.286 1266 F HA 0.000 4.531 4.527 0.006 0.000 0.279 1266 F CA 0.000 57.710 58.000 -0.483 0.000 1.383 1266 F CB 0.000 38.415 39.000 -0.975 0.000 1.145 1266 F HN 0.000 nan 8.300 nan 0.000 0.574