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_B DATA FIRST_RESID 982 DATA SEQUENCE AVELEGLAAC EGEYSQKYST MSPLGSGAFG FVWTAVDKEK NKEVVVKFIK DATA SEQUENCE KEXXXXXXWI 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 WEEVFR 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 0.000 177.597 177.584 0.021 0.000 1.274 982 A CA 0.000 52.047 52.037 0.016 0.000 0.836 982 A CB 0.000 19.009 19.000 0.014 0.000 0.831 983 V N 2.832 122.755 119.914 0.015 0.000 2.385 983 V HA 0.258 4.139 4.120 -0.398 0.000 0.269 983 V C 0.450 176.554 176.094 0.016 0.000 1.043 983 V CA -0.339 61.972 62.300 0.018 0.000 0.906 983 V CB 0.802 32.626 31.823 0.001 0.000 0.995 983 V HN 0.908 nan 8.190 nan 0.000 0.467 984 E N 4.379 124.602 120.200 0.038 0.000 2.465 984 E HA 0.078 4.190 4.350 -0.398 0.000 0.260 984 E C -0.832 175.782 176.600 0.024 0.000 0.980 984 E CA -0.219 56.208 56.400 0.044 0.000 0.927 984 E CB 0.406 30.158 29.700 0.086 0.000 0.934 984 E HN 0.300 nan 8.360 nan 0.000 0.459 985 L N 3.958 125.182 121.223 0.002 0.000 2.321 985 L HA 0.132 4.234 4.340 -0.398 0.000 0.272 985 L C 0.320 177.165 176.870 -0.043 0.000 1.050 985 L CA 0.362 55.180 54.840 -0.036 0.000 0.893 985 L CB 0.508 42.539 42.059 -0.047 0.000 1.272 985 L HN 0.566 nan 8.230 nan 0.000 0.435 986 E N 1.671 121.836 120.200 -0.058 0.000 2.789 986 E HA 0.197 4.309 4.350 -0.398 0.000 0.208 986 E C 1.448 177.887 176.600 -0.269 0.000 0.988 986 E CA 0.037 56.397 56.400 -0.067 0.000 1.092 986 E CB 1.099 30.873 29.700 0.124 0.000 1.066 986 E HN 0.741 nan 8.360 nan 0.000 0.465 987 G N 0.895 109.525 108.800 -0.284 0.000 2.432 987 G HA2 -0.193 3.529 3.960 -0.398 0.000 0.219 987 G HA3 -0.193 3.529 3.960 -0.398 0.000 0.219 987 G C 1.531 176.209 174.900 -0.371 0.000 1.135 987 G CA 0.394 45.251 45.100 -0.405 0.000 0.767 987 G HN 0.162 nan 8.290 nan 0.000 0.550 988 L N 0.147 121.226 121.223 -0.241 0.000 2.202 988 L HA 0.199 4.300 4.340 -0.398 0.000 0.205 988 L C 3.235 180.005 176.870 -0.165 0.000 1.083 988 L CA 0.744 55.481 54.840 -0.171 0.000 0.790 988 L CB -0.244 41.752 42.059 -0.104 0.000 0.942 988 L HN 0.240 nan 8.230 nan 0.000 0.452 989 A N 0.191 122.913 122.820 -0.164 0.000 2.014 989 A HA -0.002 4.080 4.320 -0.398 0.000 0.218 989 A C 2.441 179.862 177.584 -0.272 0.000 1.163 989 A CA 1.402 53.380 52.037 -0.097 0.000 0.652 989 A CB -0.437 18.595 19.000 0.055 0.000 0.808 989 A HN 0.354 nan 8.150 nan 0.000 0.449 990 A N -1.587 120.791 122.820 -0.736 0.000 2.016 990 A HA -0.026 4.056 4.320 -0.398 0.000 0.217 990 A C 1.978 179.229 177.584 -0.555 0.000 1.162 990 A CA 1.480 52.755 52.037 -1.270 0.000 0.662 990 A CB -0.735 17.169 19.000 -1.826 0.000 0.812 990 A HN 0.564 nan 8.150 nan 0.000 0.450 991 C N -0.532 118.570 119.300 -0.330 0.000 2.735 991 C HA 0.217 4.438 4.460 -0.398 0.000 0.271 991 C C 1.016 176.084 174.990 0.130 0.000 1.281 991 C CA -0.268 58.773 59.018 0.038 0.000 1.719 991 C CB -0.914 26.857 27.740 0.051 0.000 2.024 991 C HN 0.668 nan 8.230 nan 0.000 0.566 992 E N 0.968 121.179 120.200 0.018 0.000 2.529 992 E HA 0.401 4.512 4.350 -0.398 0.000 0.259 992 E C 0.910 177.543 176.600 0.056 0.000 0.966 992 E CA 1.696 58.112 56.400 0.028 0.000 0.937 992 E CB -0.162 29.542 29.700 0.006 0.000 0.923 992 E HN 0.573 nan 8.360 nan 0.000 0.468 993 G N 4.304 113.117 108.800 0.023 0.000 2.516 993 G HA2 -0.314 3.407 3.960 -0.398 0.000 0.220 993 G HA3 -0.314 3.407 3.960 -0.398 0.000 0.220 993 G C 0.790 175.650 174.900 -0.067 0.000 1.165 993 G CA 0.109 45.206 45.100 -0.005 0.000 1.013 993 G HN 0.623 nan 8.290 nan 0.000 0.590 994 E N -0.801 119.321 120.200 -0.130 0.000 2.153 994 E HA -0.114 3.998 4.350 -0.398 0.000 0.194 994 E C 2.080 178.287 176.600 -0.655 0.000 0.988 994 E CA 1.752 57.934 56.400 -0.364 0.000 0.811 994 E CB -0.150 29.323 29.700 -0.378 0.000 0.746 994 E HN 0.538 nan 8.360 nan 0.000 0.466 995 Y N 0.851 120.793 120.300 -0.596 0.000 2.097 995 Y HA -0.226 4.085 4.550 -0.398 0.000 0.282 995 Y C 2.409 178.266 175.900 -0.072 0.000 1.152 995 Y CA 2.052 59.970 58.100 -0.303 0.000 1.136 995 Y CB -0.496 38.044 38.460 0.133 0.000 0.975 995 Y HN -0.056 nan 8.280 nan 0.000 0.498 996 S N 0.375 116.006 115.700 -0.115 0.000 2.400 996 S HA -0.220 4.012 4.470 -0.398 0.000 0.232 996 S C 1.791 176.262 174.600 -0.215 0.000 1.025 996 S CA 1.304 59.408 58.200 -0.160 0.000 0.993 996 S CB -0.279 62.909 63.200 -0.020 0.000 0.808 996 S HN 0.562 nan 8.310 nan 0.000 0.478 997 Q N 0.673 120.336 119.800 -0.229 0.000 2.167 997 Q HA 0.003 4.104 4.340 -0.398 0.000 0.202 997 Q C 2.048 177.888 176.000 -0.268 0.000 0.970 997 Q CA 1.142 56.817 55.803 -0.214 0.000 0.855 997 Q CB -0.141 28.480 28.738 -0.196 0.000 0.911 997 Q HN 0.489 nan 8.270 nan 0.000 0.438 998 K N -1.271 118.895 120.400 -0.389 0.000 2.244 998 K HA 0.052 4.133 4.320 -0.398 0.000 0.200 998 K C -0.234 175.956 176.600 -0.682 0.000 1.052 998 K CA 0.291 56.249 56.287 -0.548 0.000 0.980 998 K CB 0.651 32.757 32.500 -0.656 0.000 0.838 998 K HN -0.033 nan 8.250 nan 0.000 0.481 999 Y N -0.719 119.348 120.300 -0.388 0.000 2.536 999 Y HA 0.353 4.666 4.550 -0.394 0.000 0.347 999 Y C -0.417 175.253 175.900 -0.382 0.000 1.000 999 Y CA -1.088 56.785 58.100 -0.378 0.000 1.051 999 Y CB 2.152 40.334 38.460 -0.464 0.000 1.259 999 Y HN -0.253 nan 8.280 nan 0.000 0.468 1000 S N 0.716 116.423 115.700 0.011 0.000 2.454 1000 S HA 0.500 4.731 4.470 -0.398 0.000 0.306 1000 S C -0.770 173.917 174.600 0.144 0.000 1.100 1000 S CA -0.578 57.644 58.200 0.036 0.000 1.087 1000 S CB 0.483 63.702 63.200 0.031 0.000 1.019 1000 S HN 0.624 nan 8.310 nan 0.000 0.480 1001 T N 6.874 121.540 114.554 0.186 0.000 2.761 1001 T HA 0.226 4.338 4.350 -0.398 0.000 0.296 1001 T C 1.006 175.822 174.700 0.194 0.000 0.934 1001 T CA -0.517 61.724 62.100 0.236 0.000 1.091 1001 T CB 0.711 69.685 68.868 0.176 0.000 0.896 1001 T HN 0.544 nan 8.240 nan 0.000 0.515 1002 M N 1.790 121.559 119.600 0.282 0.000 2.697 1002 M HA 0.241 4.482 4.480 -0.398 0.000 0.221 1002 M C 1.049 177.591 176.300 0.402 0.000 1.309 1002 M CA 0.552 56.013 55.300 0.268 0.000 1.296 1002 M CB -1.057 31.664 32.600 0.202 0.000 1.101 1002 M HN 0.615 nan 8.290 nan 0.000 0.516 1003 S N 0.822 116.787 115.700 0.442 0.000 2.569 1003 S HA 0.701 4.933 4.470 -0.398 0.000 0.280 1003 S C -2.851 171.845 174.600 0.160 0.000 1.111 1003 S CA -1.419 56.996 58.200 0.359 0.000 0.887 1003 S CB 2.150 65.442 63.200 0.153 0.000 1.095 1003 S HN 0.050 nan 8.310 nan 0.000 0.476 1004 P HA 0.315 nan 4.420 nan 0.000 0.272 1004 P C -0.953 176.081 177.300 -0.444 0.000 1.223 1004 P CA -0.463 62.049 63.100 -0.980 0.000 0.784 1004 P CB 0.629 31.613 31.700 -1.193 0.000 0.923 1005 L N 0.867 121.869 121.223 -0.369 0.000 2.354 1005 L HA 0.618 4.719 4.340 -0.398 0.000 0.269 1005 L C 0.756 177.534 176.870 -0.153 0.000 1.005 1005 L CA -0.288 54.448 54.840 -0.174 0.000 0.819 1005 L CB 1.672 43.693 42.059 -0.065 0.000 1.311 1005 L HN 0.761 nan 8.230 nan 0.000 0.423 1006 G N 1.175 109.919 108.800 -0.092 0.000 2.888 1006 G HA2 0.072 3.793 3.960 -0.398 0.000 0.441 1006 G HA3 0.072 3.793 3.960 -0.398 0.000 0.441 1006 G C 0.508 175.364 174.900 -0.073 0.000 1.461 1006 G CA 0.119 45.187 45.100 -0.053 0.000 0.897 1006 G HN 1.579 nan 8.290 nan 0.000 0.547 1007 S N -1.756 113.917 115.700 -0.044 0.000 4.157 1007 S HA 0.335 4.566 4.470 -0.398 0.000 0.538 1007 S C 2.183 176.740 174.600 -0.071 0.000 1.820 1007 S CA 2.914 61.072 58.200 -0.069 0.000 4.198 1007 S CB -1.439 61.712 63.200 -0.082 0.000 0.638 1007 S HN 3.213 nan 8.310 nan 0.000 0.457 1008 G N -1.782 106.963 108.800 -0.092 0.000 2.655 1008 G HA2 0.757 4.478 3.960 -0.398 0.000 0.296 1008 G HA3 0.757 4.478 3.960 -0.398 0.000 0.296 1008 G C -0.072 174.756 174.900 -0.120 0.000 1.485 1008 G CA 1.424 46.459 45.100 -0.108 0.000 0.869 1008 G HN 2.534 nan 8.290 nan 0.000 0.540 1009 A N 0.884 123.586 122.820 -0.198 0.000 2.632 1009 A HA 0.248 4.329 4.320 -0.398 0.000 0.294 1009 A C 1.031 178.606 177.584 -0.016 0.000 1.447 1009 A CA 0.956 52.919 52.037 -0.124 0.000 0.728 1009 A CB -2.394 16.628 19.000 0.037 0.000 1.102 1009 A HN 2.400 nan 8.150 nan 0.000 0.422 1010 F N -2.108 117.721 119.950 -0.200 0.000 1.692 1010 F HA 0.004 4.293 4.527 -0.397 0.000 0.191 1010 F C 2.152 177.798 175.800 -0.258 0.000 0.146 1010 F CA 2.261 60.064 58.000 -0.328 0.000 0.579 1010 F CB -1.367 37.517 39.000 -0.193 0.000 2.449 1010 F HN 2.484 nan 8.300 nan 0.000 0.549 1011 G N -1.650 107.184 108.800 0.057 0.000 2.295 1011 G HA2 0.072 3.793 3.960 -0.398 0.000 0.195 1011 G HA3 0.072 3.793 3.960 -0.398 0.000 0.195 1011 G C -0.510 174.400 174.900 0.018 0.000 1.269 1011 G CA -0.303 44.770 45.100 -0.045 0.000 1.170 1011 G HN 0.891 nan 8.290 nan 0.000 0.511 1012 F N 0.626 120.819 119.950 0.405 0.000 2.682 1012 F HA 0.481 4.767 4.527 -0.401 0.000 0.308 1012 F C 0.941 177.114 175.800 0.622 0.000 1.093 1012 F CA -0.096 58.265 58.000 0.601 0.000 1.244 1012 F CB 1.314 40.579 39.000 0.442 0.000 1.052 1012 F HN 0.270 nan 8.300 nan 0.000 0.573 1013 V N -0.160 120.041 119.914 0.479 0.000 2.398 1013 V HA 0.338 4.219 4.120 -0.398 0.000 0.286 1013 V C -1.000 175.193 176.094 0.165 0.000 1.026 1013 V CA -0.786 61.693 62.300 0.299 0.000 0.868 1013 V CB 0.913 32.812 31.823 0.125 0.000 0.982 1013 V HN 0.120 nan 8.190 nan 0.000 0.443 1014 W N 1.023 122.382 121.300 0.100 0.000 3.107 1014 W HA 0.541 4.962 4.660 -0.397 0.000 0.331 1014 W C 0.071 176.635 176.519 0.075 0.000 1.204 1014 W CA -0.647 56.774 57.345 0.126 0.000 1.184 1014 W CB 1.583 31.189 29.460 0.243 0.000 1.421 1014 W HN 0.347 nan 8.180 nan 0.000 0.544 1015 T N 2.457 117.194 114.554 0.305 0.000 2.870 1015 T HA 0.557 4.668 4.350 -0.398 0.000 0.300 1015 T C 0.063 174.930 174.700 0.279 0.000 0.989 1015 T CA 0.285 62.517 62.100 0.220 0.000 1.139 1015 T CB 0.314 69.275 68.868 0.155 0.000 0.920 1015 T HN 0.492 nan 8.240 nan 0.000 0.537 1016 A N 2.954 125.896 122.820 0.203 0.000 2.430 1016 A HA 0.824 4.905 4.320 -0.398 0.000 0.300 1016 A C -0.945 176.748 177.584 0.181 0.000 1.124 1016 A CA -0.697 51.469 52.037 0.215 0.000 0.766 1016 A CB 1.541 20.686 19.000 0.241 0.000 1.328 1016 A HN 0.624 nan 8.150 nan 0.000 0.424 1017 V N 1.717 121.751 119.914 0.199 0.000 2.448 1017 V HA 0.274 4.156 4.120 -0.398 0.000 0.295 1017 V C -0.509 175.735 176.094 0.251 0.000 1.025 1017 V CA -0.671 61.737 62.300 0.181 0.000 0.859 1017 V CB 1.710 33.600 31.823 0.112 0.000 0.988 1017 V HN 0.935 nan 8.190 nan 0.000 0.431 1018 D N 4.379 124.942 120.400 0.272 0.000 2.342 1018 D HA 0.071 4.473 4.640 -0.398 0.000 0.260 1018 D C 1.107 177.401 176.300 -0.011 0.000 1.278 1018 D CA 0.125 54.198 54.000 0.121 0.000 0.910 1018 D CB 0.925 41.814 40.800 0.149 0.000 1.079 1018 D HN 0.505 nan 8.370 nan 0.000 0.496 1019 K N 2.828 123.172 120.400 -0.093 0.000 2.044 1019 K HA -0.193 3.888 4.320 -0.398 0.000 0.210 1019 K C 1.664 178.229 176.600 -0.059 0.000 1.049 1019 K CA 1.409 57.653 56.287 -0.072 0.000 0.927 1019 K CB 0.263 32.700 32.500 -0.106 0.000 0.713 1019 K HN 0.561 nan 8.250 nan 0.000 0.443 1020 E N 0.134 120.285 120.200 -0.082 0.000 2.028 1020 E HA -0.155 3.956 4.350 -0.398 0.000 0.190 1020 E C 2.340 178.922 176.600 -0.030 0.000 0.984 1020 E CA 1.412 57.778 56.400 -0.057 0.000 0.800 1020 E CB -0.070 29.589 29.700 -0.069 0.000 0.758 1020 E HN 0.276 nan 8.360 nan 0.000 0.448 1021 K N 1.205 121.592 120.400 -0.022 0.000 2.365 1021 K HA -0.089 3.993 4.320 -0.398 0.000 0.199 1021 K C 0.719 177.325 176.600 0.011 0.000 1.045 1021 K CA 1.238 57.525 56.287 0.001 0.000 0.962 1021 K CB -0.976 31.535 32.500 0.018 0.000 0.759 1021 K HN 0.437 nan 8.250 nan 0.000 0.469 1022 N N -0.453 118.255 118.700 0.012 0.000 2.747 1022 N HA -0.204 4.297 4.740 -0.398 0.000 0.249 1022 N C -0.448 175.083 175.510 0.035 0.000 1.107 1022 N CA 1.173 54.236 53.050 0.021 0.000 0.707 1022 N CB -1.342 37.152 38.487 0.012 0.000 1.054 1022 N HN 0.866 nan 8.380 nan 0.000 0.555 1023 K N 0.016 120.449 120.400 0.054 0.000 2.221 1023 K HA 0.441 4.522 4.320 -0.398 0.000 0.258 1023 K C -0.659 175.994 176.600 0.089 0.000 0.944 1023 K CA -0.818 55.506 56.287 0.061 0.000 0.823 1023 K CB 1.858 34.393 32.500 0.059 0.000 1.113 1023 K HN 0.022 nan 8.250 nan 0.000 0.431 1024 E N 2.114 122.355 120.200 0.068 0.000 2.376 1024 E HA 0.069 4.181 4.350 -0.398 0.000 0.266 1024 E C 0.160 176.802 176.600 0.071 0.000 1.009 1024 E CA -0.323 56.121 56.400 0.074 0.000 0.902 1024 E CB 1.181 30.910 29.700 0.049 0.000 0.972 1024 E HN 0.526 nan 8.360 nan 0.000 0.439 1025 V N -0.030 119.930 119.914 0.077 0.000 3.145 1025 V HA 0.664 4.545 4.120 -0.398 0.000 0.311 1025 V C -0.456 175.650 176.094 0.020 0.000 1.238 1025 V CA -0.919 61.400 62.300 0.032 0.000 1.066 1025 V CB 1.972 33.784 31.823 -0.018 0.000 1.144 1025 V HN 0.298 nan 8.190 nan 0.000 0.465 1026 V N 0.871 120.775 119.914 -0.016 0.000 2.487 1026 V HA 0.622 4.503 4.120 -0.398 0.000 0.298 1026 V C -0.421 175.631 176.094 -0.070 0.000 1.028 1026 V CA -0.462 61.836 62.300 -0.004 0.000 0.860 1026 V CB 1.527 33.357 31.823 0.011 0.000 0.991 1026 V HN 0.880 nan 8.190 nan 0.000 0.427 1027 V N 5.477 125.342 119.914 -0.080 0.000 2.459 1027 V HA 0.614 4.495 4.120 -0.398 0.000 0.295 1027 V C -0.290 175.630 176.094 -0.289 0.000 1.029 1027 V CA -0.614 61.522 62.300 -0.274 0.000 0.874 1027 V CB 1.750 33.291 31.823 -0.470 0.000 0.985 1027 V HN 0.923 nan 8.190 nan 0.000 0.438 1028 K N 5.865 126.096 120.400 -0.281 0.000 2.265 1028 K HA 0.522 4.603 4.320 -0.398 0.000 0.267 1028 K C -1.342 175.132 176.600 -0.210 0.000 0.994 1028 K CA -0.470 55.745 56.287 -0.120 0.000 0.860 1028 K CB 0.828 33.325 32.500 -0.007 0.000 1.099 1028 K HN 0.564 nan 8.250 nan 0.000 0.448 1029 F N 5.043 125.138 119.950 0.242 0.000 2.420 1029 F HA 0.362 4.652 4.527 -0.395 0.000 0.352 1029 F C 0.187 176.120 175.800 0.222 0.000 1.108 1029 F CA -0.505 57.654 58.000 0.265 0.000 1.162 1029 F CB 0.655 39.852 39.000 0.327 0.000 1.118 1029 F HN 0.278 nan 8.300 nan 0.000 0.510 1030 I N 3.482 124.296 120.570 0.407 0.000 2.410 1030 I HA 0.432 4.363 4.170 -0.398 0.000 0.286 1030 I C -0.057 176.073 176.117 0.021 0.000 1.009 1030 I CA -0.465 60.934 61.300 0.164 0.000 1.111 1030 I CB 1.294 39.418 38.000 0.207 0.000 1.262 1030 I HN 0.627 nan 8.210 nan 0.000 0.443 1031 K N 4.507 124.689 120.400 -0.363 0.000 2.156 1031 K HA 0.542 4.623 4.320 -0.398 0.000 0.271 1031 K C -0.116 176.261 176.600 -0.371 0.000 0.995 1031 K CA -0.859 54.979 56.287 -0.748 0.000 0.890 1031 K CB 0.431 32.409 32.500 -0.870 0.000 1.073 1031 K HN 0.477 nan 8.250 nan 0.000 0.454 1032 K N 2.406 122.601 120.400 -0.342 0.000 2.021 1032 K HA 0.360 4.441 4.320 -0.398 0.000 0.238 1032 K C 0.521 177.026 176.600 -0.157 0.000 1.149 1032 K CA 0.538 56.722 56.287 -0.172 0.000 1.105 1032 K CB -0.110 32.297 32.500 -0.154 0.000 1.246 1032 K HN 0.838 nan 8.250 nan 0.000 0.307 1041 I N 2.580 123.163 120.570 0.022 0.000 2.534 1041 I HA 0.347 4.278 4.170 -0.398 0.000 0.288 1041 I C -0.619 175.506 176.117 0.014 0.000 1.077 1041 I CA -1.437 59.872 61.300 0.015 0.000 1.051 1041 I CB 1.914 39.921 38.000 0.012 0.000 1.234 1041 I HN 0.662 nan 8.210 nan 0.000 0.425 1042 E N 4.121 124.327 120.200 0.009 0.000 1.936 1042 E HA 0.141 4.252 4.350 -0.398 0.000 0.267 1042 E C -0.416 176.185 176.600 0.001 0.000 1.076 1042 E CA -0.057 56.349 56.400 0.010 0.000 0.870 1042 E CB 0.210 29.915 29.700 0.007 0.000 1.093 1042 E HN 0.252 nan 8.360 nan 0.000 0.411 1043 D N 3.810 124.212 120.400 0.003 0.000 2.295 1043 D HA 0.056 4.457 4.640 -0.398 0.000 0.248 1043 D C -1.510 174.792 176.300 0.003 0.000 1.154 1043 D CA -1.967 52.032 54.000 -0.002 0.000 0.857 1043 D CB 1.400 42.196 40.800 -0.006 0.000 1.117 1043 D HN 0.188 nan 8.370 nan 0.000 0.468 1044 P HA -0.123 nan 4.420 nan 0.000 0.223 1044 P C 0.539 177.843 177.300 0.007 0.000 1.144 1044 P CA 1.086 64.187 63.100 0.002 0.000 0.783 1044 P CB 0.547 32.245 31.700 -0.003 0.000 0.771 1045 K N -1.099 119.305 120.400 0.006 0.000 2.287 1045 K HA 0.183 4.264 4.320 -0.398 0.000 0.199 1045 K C 2.176 178.785 176.600 0.016 0.000 1.061 1045 K CA 0.389 56.682 56.287 0.009 0.000 0.976 1045 K CB -0.114 32.388 32.500 0.003 0.000 0.898 1045 K HN 0.103 nan 8.250 nan 0.000 0.492 1046 L N -0.061 121.170 121.223 0.013 0.000 2.168 1046 L HA 0.158 4.259 4.340 -0.398 0.000 0.203 1046 L C 1.290 178.190 176.870 0.051 0.000 1.078 1046 L CA 0.683 55.536 54.840 0.023 0.000 0.780 1046 L CB -0.215 41.842 42.059 -0.004 0.000 0.939 1046 L HN 0.437 nan 8.230 nan 0.000 0.451 1047 G N -0.187 108.639 108.800 0.044 0.000 2.460 1047 G HA2 -0.168 3.553 3.960 -0.398 0.000 0.207 1047 G HA3 -0.168 3.553 3.960 -0.398 0.000 0.207 1047 G C -0.775 174.165 174.900 0.066 0.000 1.170 1047 G CA -0.655 44.481 45.100 0.059 0.000 1.151 1047 G HN -0.065 nan 8.290 nan 0.000 0.575 1048 K N 1.312 121.773 120.400 0.102 0.000 2.262 1048 K HA 0.617 4.698 4.320 -0.398 0.000 0.282 1048 K C 0.355 177.075 176.600 0.200 0.000 1.066 1048 K CA 0.318 56.677 56.287 0.121 0.000 0.901 1048 K CB 0.455 33.027 32.500 0.119 0.000 1.089 1048 K HN 1.454 nan 8.250 nan 0.000 0.476 1049 V N -0.285 119.667 119.914 0.064 0.000 3.156 1049 V HA 0.569 4.450 4.120 -0.398 0.000 0.310 1049 V C 0.127 176.115 176.094 -0.177 0.000 1.234 1049 V CA -1.030 61.160 62.300 -0.183 0.000 1.065 1049 V CB 1.487 33.140 31.823 -0.283 0.000 1.088 1049 V HN 0.616 nan 8.190 nan 0.000 0.451 1050 T N -0.412 113.932 114.554 -0.351 0.000 2.847 1050 T HA 0.413 4.524 4.350 -0.398 0.000 0.279 1050 T C 0.638 175.267 174.700 -0.118 0.000 0.984 1050 T CA -0.005 61.993 62.100 -0.170 0.000 0.988 1050 T CB 1.008 69.776 68.868 -0.166 0.000 1.040 1050 T HN 0.784 nan 8.240 nan 0.000 0.528 1051 L N 1.900 123.094 121.223 -0.048 0.000 2.201 1051 L HA 0.145 4.246 4.340 -0.398 0.000 0.212 1051 L C 2.396 179.253 176.870 -0.022 0.000 1.105 1051 L CA 1.880 56.719 54.840 -0.003 0.000 0.775 1051 L CB -0.864 41.216 42.059 0.036 0.000 0.913 1051 L HN 0.895 nan 8.230 nan 0.000 0.440 1052 E N -0.465 119.707 120.200 -0.046 0.000 2.047 1052 E HA -0.221 3.891 4.350 -0.398 0.000 0.191 1052 E C 2.245 178.796 176.600 -0.082 0.000 0.987 1052 E CA 1.535 57.920 56.400 -0.025 0.000 0.799 1052 E CB -0.161 29.523 29.700 -0.026 0.000 0.752 1052 E HN 0.562 nan 8.360 nan 0.000 0.449 1053 I N 0.898 121.377 120.570 -0.152 0.000 2.233 1053 I HA -0.203 3.728 4.170 -0.398 0.000 0.243 1053 I C 2.623 178.647 176.117 -0.154 0.000 1.093 1053 I CA 0.903 62.083 61.300 -0.200 0.000 1.380 1053 I CB -0.356 37.433 38.000 -0.352 0.000 1.067 1053 I HN 0.219 nan 8.210 nan 0.000 0.413 1054 A N 1.211 123.961 122.820 -0.116 0.000 1.865 1054 A HA -0.209 3.872 4.320 -0.398 0.000 0.217 1054 A C 2.294 179.863 177.584 -0.026 0.000 1.191 1054 A CA 1.695 53.701 52.037 -0.051 0.000 0.623 1054 A CB -0.922 18.078 19.000 -0.001 0.000 0.826 1054 A HN 0.363 nan 8.150 nan 0.000 0.444 1055 I N -0.607 119.946 120.570 -0.027 0.000 2.142 1055 I HA -0.251 3.680 4.170 -0.398 0.000 0.240 1055 I C 2.474 178.474 176.117 -0.195 0.000 1.078 1055 I CA 1.197 62.456 61.300 -0.068 0.000 1.343 1055 I CB -0.311 37.641 38.000 -0.080 0.000 1.046 1055 I HN 0.307 nan 8.210 nan 0.000 0.405 1056 L N 0.083 121.130 121.223 -0.293 0.000 2.127 1056 L HA -0.229 3.872 4.340 -0.398 0.000 0.211 1056 L C 2.533 179.259 176.870 -0.241 0.000 1.089 1056 L CA 1.288 55.883 54.840 -0.409 0.000 0.757 1056 L CB -0.250 41.595 42.059 -0.357 0.000 0.899 1056 L HN 0.252 nan 8.230 nan 0.000 0.434 1057 S N -0.789 114.817 115.700 -0.158 0.000 2.453 1057 S HA -0.088 4.144 4.470 -0.398 0.000 0.231 1057 S C 1.859 176.419 174.600 -0.066 0.000 1.005 1057 S CA 0.819 58.956 58.200 -0.105 0.000 0.949 1057 S CB -0.053 63.097 63.200 -0.084 0.000 0.774 1057 S HN 0.428 nan 8.310 nan 0.000 0.510 1058 R N 0.709 121.177 120.500 -0.053 0.000 2.189 1058 R HA 0.124 4.226 4.340 -0.398 0.000 0.203 1058 R C 0.637 176.956 176.300 0.032 0.000 1.012 1058 R CA 0.238 56.339 56.100 0.003 0.000 1.015 1058 R CB 0.138 30.465 30.300 0.047 0.000 0.938 1058 R HN 0.366 nan 8.270 nan 0.000 0.472 1059 V N -0.621 119.292 119.914 -0.002 0.000 2.716 1059 V HA 0.450 4.331 4.120 -0.398 0.000 0.304 1059 V C -0.519 175.588 176.094 0.023 0.000 1.053 1059 V CA -0.688 61.677 62.300 0.108 0.000 0.984 1059 V CB 1.748 33.643 31.823 0.120 0.000 1.021 1059 V HN 0.079 nan 8.190 nan 0.000 0.467 1060 E N 2.237 122.452 120.200 0.026 0.000 2.367 1060 E HA 0.429 4.540 4.350 -0.398 0.000 0.292 1060 E C -1.568 174.850 176.600 -0.304 0.000 0.900 1060 E CA -0.499 55.840 56.400 -0.102 0.000 0.807 1060 E CB 0.920 30.604 29.700 -0.028 0.000 1.337 1060 E HN 1.067 nan 8.360 nan 0.000 0.394 1061 H N 2.500 121.301 119.070 -0.449 0.000 3.085 1061 H HA 0.335 4.651 4.556 -0.399 0.000 0.356 1061 H C -0.134 175.009 175.328 -0.308 0.000 1.178 1061 H CA 0.405 56.125 56.048 -0.546 0.000 1.214 1061 H CB 2.019 31.229 29.762 -0.921 0.000 1.881 1061 H HN 0.551 nan 8.280 nan 0.000 0.538 1062 A N 3.328 125.670 122.820 -0.797 0.000 2.084 1062 A HA -0.206 3.875 4.320 -0.398 0.000 0.221 1062 A C 0.853 178.237 177.584 -0.333 0.000 1.161 1062 A CA 2.022 53.764 52.037 -0.492 0.000 0.653 1062 A CB -0.428 18.296 19.000 -0.459 0.000 0.802 1062 A HN 0.754 nan 8.150 nan 0.000 0.457 1063 N N -1.540 117.040 118.700 -0.200 0.000 2.291 1063 N HA 0.402 4.903 4.740 -0.398 0.000 0.244 1063 N C -0.804 174.726 175.510 0.033 0.000 1.216 1063 N CA -0.087 52.945 53.050 -0.030 0.000 0.879 1063 N CB 0.971 39.487 38.487 0.049 0.000 1.167 1063 N HN 0.353 nan 8.380 nan 0.000 0.515 1064 I N 0.780 121.365 120.570 0.025 0.000 2.509 1064 I HA 0.322 4.254 4.170 -0.398 0.000 0.293 1064 I C -0.390 175.694 176.117 -0.054 0.000 1.020 1064 I CA -1.211 60.110 61.300 0.034 0.000 1.088 1064 I CB 2.056 40.086 38.000 0.051 0.000 1.267 1064 I HN -0.048 nan 8.210 nan 0.000 0.430 1065 I N 6.116 126.673 120.570 -0.021 0.000 2.775 1065 I HA -0.085 3.847 4.170 -0.398 0.000 0.290 1065 I C 0.556 176.621 176.117 -0.086 0.000 1.203 1065 I CA 0.546 61.813 61.300 -0.056 0.000 1.433 1065 I CB 0.174 38.178 38.000 0.006 0.000 1.354 1065 I HN 0.492 nan 8.210 nan 0.000 0.579 1066 K N 6.232 126.583 120.400 -0.082 0.000 2.276 1066 K HA 0.343 4.425 4.320 -0.398 0.000 0.283 1066 K C -1.174 175.383 176.600 -0.071 0.000 1.044 1066 K CA -0.598 55.642 56.287 -0.079 0.000 0.944 1066 K CB 0.743 33.206 32.500 -0.062 0.000 1.012 1066 K HN 0.484 nan 8.250 nan 0.000 0.472 1067 V N 7.092 126.955 119.914 -0.086 0.000 2.461 1067 V HA 0.085 3.966 4.120 -0.398 0.000 0.275 1067 V C 1.040 177.095 176.094 -0.066 0.000 1.047 1067 V CA -0.188 62.059 62.300 -0.088 0.000 0.955 1067 V CB 1.197 32.953 31.823 -0.113 0.000 0.988 1067 V HN 0.852 nan 8.190 nan 0.000 0.471 1068 L N 2.751 123.941 121.223 -0.055 0.000 2.357 1068 L HA 0.380 4.481 4.340 -0.398 0.000 0.211 1068 L C 0.111 176.966 176.870 -0.026 0.000 1.075 1068 L CA 0.775 55.610 54.840 -0.009 0.000 0.830 1068 L CB 0.349 42.436 42.059 0.047 0.000 0.996 1068 L HN 0.612 nan 8.230 nan 0.000 0.467 1069 D N -0.703 119.625 120.400 -0.121 0.000 2.745 1069 D HA 0.352 4.754 4.640 -0.398 0.000 0.221 1069 D C -1.502 174.544 176.300 -0.422 0.000 1.237 1069 D CA -0.248 53.561 54.000 -0.318 0.000 0.781 1069 D CB 3.042 43.635 40.800 -0.344 0.000 1.575 1069 D HN -0.176 nan 8.370 nan 0.000 0.482 1070 I N 2.442 122.708 120.570 -0.507 0.000 2.439 1070 I HA 0.456 4.387 4.170 -0.398 0.000 0.283 1070 I C -1.430 174.481 176.117 -0.344 0.000 1.023 1070 I CA -0.383 60.717 61.300 -0.334 0.000 1.100 1070 I CB 0.407 38.313 38.000 -0.156 0.000 1.238 1070 I HN 0.138 nan 8.210 nan 0.000 0.445 1071 F N 5.940 126.002 119.950 0.186 0.000 2.525 1071 F HA 0.687 4.977 4.527 -0.396 0.000 0.346 1071 F C 0.326 176.269 175.800 0.238 0.000 1.072 1071 F CA -0.648 57.476 58.000 0.206 0.000 1.033 1071 F CB 0.820 39.963 39.000 0.237 0.000 1.324 1071 F HN 0.367 nan 8.300 nan 0.000 0.491 1072 E N 0.153 120.591 120.200 0.396 0.000 2.390 1072 E HA 0.251 4.362 4.350 -0.398 0.000 0.280 1072 E C -1.471 175.201 176.600 0.119 0.000 0.992 1072 E CA -0.373 56.138 56.400 0.185 0.000 0.790 1072 E CB 2.033 31.789 29.700 0.093 0.000 1.248 1072 E HN 0.728 nan 8.360 nan 0.000 0.447 1073 N N 1.535 120.260 118.700 0.042 0.000 2.217 1073 N HA 0.084 4.585 4.740 -0.398 0.000 0.239 1073 N C 0.512 176.030 175.510 0.013 0.000 1.330 1073 N CA 1.098 54.179 53.050 0.051 0.000 0.838 1073 N CB 0.787 39.328 38.487 0.091 0.000 1.287 1073 N HN 0.676 nan 8.380 nan 0.000 0.498 1074 Q N -1.054 118.711 119.800 -0.058 0.000 2.788 1074 Q HA -0.131 3.970 4.340 -0.398 0.000 0.157 1074 Q C 1.383 177.334 176.000 -0.080 0.000 0.731 1074 Q CA 2.223 57.983 55.803 -0.072 0.000 1.180 1074 Q CB -2.595 26.127 28.738 -0.027 0.000 1.009 1074 Q HN 0.813 nan 8.270 nan 0.000 1.074 1075 G N -2.249 106.543 108.800 -0.012 0.000 2.724 1075 G HA2 0.540 4.261 3.960 -0.398 0.000 0.205 1075 G HA3 0.540 4.261 3.960 -0.398 0.000 0.205 1075 G C 0.408 175.166 174.900 -0.236 0.000 1.112 1075 G CA 0.718 45.799 45.100 -0.031 0.000 0.793 1075 G HN 0.769 nan 8.290 nan 0.000 0.526 1076 F N -1.082 118.783 119.950 -0.141 0.000 2.626 1076 F HA 0.633 4.920 4.527 -0.400 0.000 0.311 1076 F C -0.907 174.774 175.800 -0.198 0.000 1.088 1076 F CA -1.280 56.659 58.000 -0.101 0.000 0.949 1076 F CB 2.068 41.095 39.000 0.045 0.000 1.322 1076 F HN -0.164 nan 8.300 nan 0.000 0.461 1077 F N 0.669 120.757 119.950 0.231 0.000 2.425 1077 F HA 0.532 4.822 4.527 -0.394 0.000 0.331 1077 F C -0.403 175.508 175.800 0.184 0.000 1.085 1077 F CA -0.768 57.332 58.000 0.167 0.000 1.028 1077 F CB 1.492 40.536 39.000 0.073 0.000 1.177 1077 F HN 0.255 nan 8.300 nan 0.000 0.487 1078 Q N 2.860 122.848 119.800 0.312 0.000 2.368 1078 Q HA 0.409 4.510 4.340 -0.398 0.000 0.263 1078 Q C -1.193 174.806 176.000 -0.001 0.000 1.009 1078 Q CA -0.505 55.324 55.803 0.043 0.000 0.818 1078 Q CB 1.755 30.453 28.738 -0.068 0.000 1.239 1078 Q HN 0.445 nan 8.270 nan 0.000 0.464 1079 L N 3.953 125.119 121.223 -0.094 0.000 2.282 1079 L HA 0.397 4.498 4.340 -0.398 0.000 0.287 1079 L C -1.227 175.547 176.870 -0.161 0.000 1.075 1079 L CA -0.373 54.400 54.840 -0.112 0.000 0.839 1079 L CB 0.662 42.667 42.059 -0.089 0.000 1.219 1079 L HN 0.413 nan 8.230 nan 0.000 0.434 1080 V N 6.731 126.548 119.914 -0.162 0.000 2.407 1080 V HA 0.488 4.370 4.120 -0.398 0.000 0.278 1080 V C 0.353 176.363 176.094 -0.140 0.000 1.037 1080 V CA -0.298 61.887 62.300 -0.191 0.000 0.900 1080 V CB 1.250 32.903 31.823 -0.283 0.000 0.983 1080 V HN 0.778 nan 8.190 nan 0.000 0.459 1081 M N 3.253 122.786 119.600 -0.112 0.000 2.644 1081 M HA 0.447 4.689 4.480 -0.398 0.000 0.304 1081 M C 0.006 176.284 176.300 -0.037 0.000 1.215 1081 M CA -0.656 54.605 55.300 -0.065 0.000 0.871 1081 M CB 2.347 34.920 32.600 -0.044 0.000 1.740 1081 M HN 0.825 nan 8.290 nan 0.000 0.464 1082 E N 1.731 121.922 120.200 -0.015 0.000 2.442 1082 E HA 0.000 4.112 4.350 -0.398 0.000 0.262 1082 E C -0.840 175.774 176.600 0.025 0.000 1.004 1082 E CA -0.039 56.368 56.400 0.012 0.000 0.928 1082 E CB 0.719 30.428 29.700 0.016 0.000 0.937 1082 E HN 0.455 nan 8.360 nan 0.000 0.446 1083 K N 2.726 123.144 120.400 0.031 0.000 2.284 1083 K HA 0.066 4.147 4.320 -0.398 0.000 0.287 1083 K C -1.173 175.453 176.600 0.043 0.000 1.081 1083 K CA -0.562 55.744 56.287 0.031 0.000 0.910 1083 K CB 0.445 32.954 32.500 0.016 0.000 1.088 1083 K HN 0.546 nan 8.250 nan 0.000 0.478 1084 H N 3.794 122.834 119.070 -0.050 0.000 2.705 1084 H HA 0.336 4.654 4.556 -0.397 0.000 0.291 1084 H C 0.607 175.874 175.328 -0.102 0.000 1.085 1084 H CA 1.336 57.339 56.048 -0.074 0.000 1.357 1084 H CB 0.576 30.297 29.762 -0.069 0.000 1.419 1084 H HN 0.946 nan 8.280 nan 0.000 0.462 1085 G N 3.011 111.516 108.800 -0.491 0.000 2.528 1085 G HA2 -0.322 3.399 3.960 -0.398 0.000 0.262 1085 G HA3 -0.322 3.399 3.960 -0.398 0.000 0.262 1085 G C 0.857 175.615 174.900 -0.237 0.000 1.200 1085 G CA 0.315 45.154 45.100 -0.435 0.000 0.951 1085 G HN 1.092 nan 8.290 nan 0.000 0.566 1086 S N 0.166 115.745 115.700 -0.202 0.000 2.597 1086 S HA 0.472 4.703 4.470 -0.398 0.000 0.224 1086 S C 1.857 176.427 174.600 -0.050 0.000 0.955 1086 S CA 1.108 59.248 58.200 -0.101 0.000 0.933 1086 S CB 0.363 63.520 63.200 -0.071 0.000 0.788 1086 S HN 2.828 nan 8.310 nan 0.000 0.488 1087 G N 0.837 109.605 108.800 -0.054 0.000 2.137 1087 G HA2 -0.236 3.485 3.960 -0.398 0.000 0.237 1087 G HA3 -0.236 3.485 3.960 -0.398 0.000 0.237 1087 G C -0.238 174.662 174.900 0.001 0.000 1.002 1087 G CA 0.146 45.238 45.100 -0.014 0.000 0.702 1087 G HN 0.693 nan 8.290 nan 0.000 0.515 1088 L N 1.957 123.172 121.223 -0.015 0.000 2.278 1088 L HA 0.613 4.714 4.340 -0.398 0.000 0.287 1088 L C 0.523 177.415 176.870 0.036 0.000 1.072 1088 L CA -0.400 54.453 54.840 0.022 0.000 0.819 1088 L CB 0.510 42.565 42.059 -0.007 0.000 1.176 1088 L HN 0.372 nan 8.230 nan 0.000 0.435 1089 D N 2.801 123.254 120.400 0.088 0.000 2.387 1089 D HA 0.132 4.533 4.640 -0.398 0.000 0.251 1089 D C 0.925 177.326 176.300 0.168 0.000 1.141 1089 D CA -0.595 53.470 54.000 0.107 0.000 0.987 1089 D CB 0.766 41.634 40.800 0.113 0.000 1.116 1089 D HN 0.401 nan 8.370 nan 0.000 0.491 1090 L N -0.131 121.191 121.223 0.165 0.000 2.201 1090 L HA 0.040 4.141 4.340 -0.398 0.000 0.212 1090 L C 1.702 178.749 176.870 0.295 0.000 1.105 1090 L CA 1.164 56.140 54.840 0.226 0.000 0.775 1090 L CB -0.702 41.456 42.059 0.165 0.000 0.913 1090 L HN 0.589 nan 8.230 nan 0.000 0.440 1091 F N -0.084 119.951 119.950 0.142 0.000 2.102 1091 F HA -0.200 4.078 4.527 -0.415 0.000 0.298 1091 F C 2.324 178.202 175.800 0.130 0.000 1.105 1091 F CA 1.469 59.545 58.000 0.126 0.000 1.239 1091 F CB -0.343 38.712 39.000 0.092 0.000 0.991 1091 F HN 0.067 nan 8.300 nan 0.000 0.474 1092 A N -0.596 122.453 122.820 0.381 0.000 2.015 1092 A HA -0.149 3.932 4.320 -0.398 0.000 0.219 1092 A C 2.049 179.802 177.584 0.281 0.000 1.163 1092 A CA 1.209 53.420 52.037 0.291 0.000 0.646 1092 A CB -1.442 17.721 19.000 0.273 0.000 0.806 1092 A HN 0.532 nan 8.150 nan 0.000 0.448 1093 F N 0.676 120.688 119.950 0.103 0.000 2.113 1093 F HA -0.101 4.188 4.527 -0.396 0.000 0.297 1093 F C 1.876 177.762 175.800 0.143 0.000 1.103 1093 F CA 1.675 59.733 58.000 0.097 0.000 1.248 1093 F CB -0.234 38.752 39.000 -0.024 0.000 0.999 1093 F HN 0.163 nan 8.300 nan 0.000 0.475 1094 I N 0.115 120.693 120.570 0.014 0.000 2.394 1094 I HA -0.255 3.676 4.170 -0.398 0.000 0.251 1094 I C 1.942 177.863 176.117 -0.327 0.000 1.136 1094 I CA 1.602 62.793 61.300 -0.182 0.000 1.425 1094 I CB -0.545 37.382 38.000 -0.121 0.000 1.079 1094 I HN 0.120 nan 8.210 nan 0.000 0.425 1095 D N 0.849 121.066 120.400 -0.305 0.000 2.178 1095 D HA -0.127 4.275 4.640 -0.398 0.000 0.202 1095 D C 1.993 178.081 176.300 -0.353 0.000 0.974 1095 D CA 0.989 54.782 54.000 -0.344 0.000 0.841 1095 D CB 0.105 40.801 40.800 -0.173 0.000 0.953 1095 D HN 0.052 nan 8.370 nan 0.000 0.478 1096 R N 0.000 120.399 120.500 -0.169 0.000 2.335 1096 R HA 0.042 4.143 4.340 -0.398 0.000 0.223 1096 R C -0.215 176.005 176.300 -0.133 0.000 0.940 1096 R CA -0.012 56.017 56.100 -0.119 0.000 1.086 1096 R CB -0.404 29.814 30.300 -0.137 0.000 1.073 1096 R HN 0.457 nan 8.270 nan 0.000 0.504 1097 H N -0.298 118.659 119.070 -0.189 0.000 2.794 1097 H HA -0.072 4.248 4.556 -0.393 0.000 0.334 1097 H C -2.120 173.060 175.328 -0.247 0.000 1.154 1097 H CA -0.161 55.777 56.048 -0.184 0.000 1.129 1097 H CB -1.442 28.238 29.762 -0.137 0.000 1.600 1097 H HN 0.277 nan 8.280 nan 0.000 0.410 1098 P HA 0.155 nan 4.420 nan 0.000 0.274 1098 P C 0.217 177.417 177.300 -0.167 0.000 1.231 1098 P CA -0.087 62.804 63.100 -0.348 0.000 0.790 1098 P CB 0.845 32.041 31.700 -0.840 0.000 0.951 1099 R N 1.960 122.395 120.500 -0.109 0.000 2.825 1099 R HA 0.396 4.497 4.340 -0.398 0.000 0.261 1099 R C -0.275 176.004 176.300 -0.034 0.000 1.341 1099 R CA -0.384 55.677 56.100 -0.064 0.000 1.353 1099 R CB -0.261 30.009 30.300 -0.050 0.000 1.191 1099 R HN 0.460 nan 8.270 nan 0.000 0.590 1100 L N 2.760 123.956 121.223 -0.045 0.000 2.309 1100 L HA 0.320 4.421 4.340 -0.398 0.000 0.282 1100 L C 0.245 177.079 176.870 -0.061 0.000 1.036 1100 L CA -0.835 53.976 54.840 -0.049 0.000 0.806 1100 L CB 1.312 43.371 42.059 0.001 0.000 1.220 1100 L HN 0.499 nan 8.230 nan 0.000 0.429 1101 D N 0.783 121.140 120.400 -0.071 0.000 2.487 1101 D HA 0.148 4.549 4.640 -0.398 0.000 0.262 1101 D C 0.494 176.775 176.300 -0.032 0.000 1.130 1101 D CA -0.610 53.371 54.000 -0.031 0.000 1.038 1101 D CB 0.843 41.663 40.800 0.033 0.000 1.142 1101 D HN 0.448 nan 8.370 nan 0.000 0.575 1102 E N -0.556 119.658 120.200 0.024 0.000 2.047 1102 E HA -0.089 4.022 4.350 -0.398 0.000 0.191 1102 E C -0.894 175.615 176.600 -0.151 0.000 0.987 1102 E CA 1.123 57.579 56.400 0.095 0.000 0.799 1102 E CB -0.991 28.858 29.700 0.247 0.000 0.752 1102 E HN 0.427 nan 8.360 nan 0.000 0.449 1103 P HA -0.181 nan 4.420 nan 0.000 0.215 1103 P C 1.547 178.678 177.300 -0.282 0.000 1.153 1103 P CA 0.970 63.924 63.100 -0.243 0.000 0.853 1103 P CB 0.017 31.677 31.700 -0.066 0.000 0.788 1104 L N -0.773 120.220 121.223 -0.383 0.000 2.156 1104 L HA 0.062 4.163 4.340 -0.398 0.000 0.208 1104 L C 2.197 178.941 176.870 -0.211 0.000 1.095 1104 L CA 1.642 56.182 54.840 -0.500 0.000 0.770 1104 L CB -1.454 39.948 42.059 -1.095 0.000 0.914 1104 L HN -0.142 nan 8.230 nan 0.000 0.439 1105 A N -1.323 121.421 122.820 -0.127 0.000 1.902 1105 A HA -0.238 3.843 4.320 -0.398 0.000 0.217 1105 A C 2.530 180.166 177.584 0.087 0.000 1.181 1105 A CA 1.913 53.983 52.037 0.055 0.000 0.623 1105 A CB -1.133 17.963 19.000 0.161 0.000 0.818 1105 A HN 0.528 nan 8.150 nan 0.000 0.443 1106 S N -1.970 113.573 115.700 -0.262 0.000 2.382 1106 S HA -0.198 4.034 4.470 -0.398 0.000 0.228 1106 S C 1.893 176.428 174.600 -0.109 0.000 1.027 1106 S CA 1.605 59.491 58.200 -0.524 0.000 0.991 1106 S CB -0.547 61.947 63.200 -1.175 0.000 0.823 1106 S HN 0.669 nan 8.310 nan 0.000 0.469 1107 Y N 1.887 122.072 120.300 -0.191 0.000 2.145 1107 Y HA -0.047 4.273 4.550 -0.383 0.000 0.286 1107 Y C 1.808 177.696 175.900 -0.020 0.000 1.145 1107 Y CA 1.664 59.699 58.100 -0.108 0.000 1.148 1107 Y CB -0.577 37.795 38.460 -0.146 0.000 0.981 1107 Y HN 0.309 nan 8.280 nan 0.000 0.507 1108 I N -1.102 119.388 120.570 -0.134 0.000 2.179 1108 I HA -0.298 3.633 4.170 -0.398 0.000 0.242 1108 I C 2.210 178.317 176.117 -0.017 0.000 1.088 1108 I CA 1.664 62.891 61.300 -0.122 0.000 1.357 1108 I CB -0.612 37.407 38.000 0.032 0.000 1.051 1108 I HN 0.209 nan 8.210 nan 0.000 0.409 1109 F N 2.467 122.399 119.950 -0.030 0.000 2.171 1109 F HA -0.201 4.081 4.527 -0.408 0.000 0.300 1109 F C 2.778 178.581 175.800 0.006 0.000 1.090 1109 F CA 1.591 59.615 58.000 0.040 0.000 1.293 1109 F CB -0.330 38.791 39.000 0.202 0.000 1.013 1109 F HN -0.018 nan 8.300 nan 0.000 0.486 1110 R N 0.225 120.701 120.500 -0.040 0.000 2.152 1110 R HA -0.162 3.940 4.340 -0.398 0.000 0.232 1110 R C 1.752 177.944 176.300 -0.180 0.000 1.117 1110 R CA 1.698 57.722 56.100 -0.128 0.000 0.981 1110 R CB -0.956 29.324 30.300 -0.034 0.000 0.870 1110 R HN 0.393 nan 8.270 nan 0.000 0.451 1111 Q N 0.643 120.315 119.800 -0.214 0.000 2.172 1111 Q HA -0.083 4.018 4.340 -0.398 0.000 0.200 1111 Q C 2.073 177.986 176.000 -0.146 0.000 0.964 1111 Q CA 1.091 56.785 55.803 -0.181 0.000 0.855 1111 Q CB -0.064 28.525 28.738 -0.248 0.000 0.918 1111 Q HN 0.268 nan 8.270 nan 0.000 0.444 1112 L N 0.109 121.205 121.223 -0.213 0.000 2.056 1112 L HA -0.122 3.979 4.340 -0.398 0.000 0.207 1112 L C 2.052 178.764 176.870 -0.264 0.000 1.078 1112 L CA 1.295 55.999 54.840 -0.227 0.000 0.749 1112 L CB -0.362 41.555 42.059 -0.237 0.000 0.901 1112 L HN -0.034 nan 8.230 nan 0.000 0.433 1113 V N -0.503 119.188 119.914 -0.373 0.000 2.287 1113 V HA -0.304 3.578 4.120 -0.398 0.000 0.248 1113 V C 2.556 178.565 176.094 -0.140 0.000 1.053 1113 V CA 1.960 64.088 62.300 -0.287 0.000 1.027 1113 V CB -1.116 30.520 31.823 -0.311 0.000 0.646 1113 V HN 0.559 nan 8.190 nan 0.000 0.447 1114 S N 0.765 116.414 115.700 -0.084 0.000 2.370 1114 S HA -0.238 3.993 4.470 -0.398 0.000 0.226 1114 S C 2.234 176.764 174.600 -0.116 0.000 1.033 1114 S CA 1.529 59.742 58.200 0.021 0.000 1.011 1114 S CB -0.677 62.612 63.200 0.149 0.000 0.852 1114 S HN 0.676 nan 8.310 nan 0.000 0.457 1115 A N 1.174 123.899 122.820 -0.159 0.000 1.902 1115 A HA -0.042 4.040 4.320 -0.398 0.000 0.217 1115 A C 2.371 179.841 177.584 -0.190 0.000 1.181 1115 A CA 1.682 53.509 52.037 -0.351 0.000 0.623 1115 A CB -0.854 18.069 19.000 -0.127 0.000 0.818 1115 A HN 0.370 nan 8.150 nan 0.000 0.443 1116 V N -0.313 119.522 119.914 -0.132 0.000 2.591 1116 V HA -0.073 3.808 4.120 -0.398 0.000 0.249 1116 V C 2.769 178.831 176.094 -0.053 0.000 1.053 1116 V CA 1.527 63.777 62.300 -0.082 0.000 1.068 1116 V CB -1.258 30.506 31.823 -0.098 0.000 0.689 1116 V HN 0.605 nan 8.190 nan 0.000 0.462 1117 G N -0.849 107.918 108.800 -0.055 0.000 2.440 1117 G HA2 -0.352 3.369 3.960 -0.398 0.000 0.218 1117 G HA3 -0.352 3.369 3.960 -0.398 0.000 0.218 1117 G C 1.555 176.451 174.900 -0.007 0.000 1.154 1117 G CA 1.290 46.378 45.100 -0.020 0.000 0.767 1117 G HN 0.578 nan 8.290 nan 0.000 0.552 1118 Y N 1.024 121.216 120.300 -0.180 0.000 2.163 1118 Y HA 0.002 4.307 4.550 -0.408 0.000 0.288 1118 Y C 2.576 178.411 175.900 -0.107 0.000 1.136 1118 Y CA 1.374 59.369 58.100 -0.174 0.000 1.147 1118 Y CB -0.252 37.965 38.460 -0.406 0.000 0.987 1118 Y HN 0.108 nan 8.280 nan 0.000 0.509 1119 L N -0.074 121.117 121.223 -0.053 0.000 2.017 1119 L HA -0.242 3.860 4.340 -0.398 0.000 0.208 1119 L C 2.683 179.486 176.870 -0.112 0.000 1.073 1119 L CA 1.664 56.455 54.840 -0.081 0.000 0.745 1119 L CB -0.577 41.519 42.059 0.061 0.000 0.894 1119 L HN 0.143 nan 8.230 nan 0.000 0.432 1120 R N 0.646 121.107 120.500 -0.065 0.000 2.112 1120 R HA -0.246 3.855 4.340 -0.398 0.000 0.242 1120 R C 2.138 178.404 176.300 -0.057 0.000 1.137 1120 R CA 1.897 57.975 56.100 -0.036 0.000 0.944 1120 R CB -1.013 29.279 30.300 -0.013 0.000 0.857 1120 R HN 0.207 nan 8.270 nan 0.000 0.435 1121 L N 0.773 121.935 121.223 -0.101 0.000 2.187 1121 L HA -0.131 3.970 4.340 -0.398 0.000 0.213 1121 L C 1.247 178.031 176.870 -0.143 0.000 1.100 1121 L CA 1.874 56.646 54.840 -0.113 0.000 0.765 1121 L CB -0.178 41.802 42.059 -0.131 0.000 0.904 1121 L HN 0.125 nan 8.230 nan 0.000 0.437 1122 K N -0.507 119.761 120.400 -0.219 0.000 2.444 1122 K HA 0.033 4.115 4.320 -0.398 0.000 0.193 1122 K C -0.142 176.461 176.600 0.005 0.000 1.024 1122 K CA 0.428 56.622 56.287 -0.155 0.000 1.077 1122 K CB -0.041 32.293 32.500 -0.276 0.000 0.833 1122 K HN 0.298 nan 8.250 nan 0.000 0.517 1123 D N 0.616 121.024 120.400 0.014 0.000 2.907 1123 D HA -0.176 4.225 4.640 -0.398 0.000 0.226 1123 D C -0.446 175.901 176.300 0.080 0.000 1.141 1123 D CA 0.850 54.909 54.000 0.098 0.000 0.779 1123 D CB -1.548 39.359 40.800 0.178 0.000 1.095 1123 D HN 0.311 nan 8.370 nan 0.000 0.430 1124 I N 0.556 121.104 120.570 -0.036 0.000 2.433 1124 I HA 0.449 4.380 4.170 -0.398 0.000 0.292 1124 I C 0.177 176.274 176.117 -0.032 0.000 1.001 1124 I CA -0.963 60.261 61.300 -0.127 0.000 1.119 1124 I CB 1.957 39.846 38.000 -0.185 0.000 1.289 1124 I HN -0.163 nan 8.210 nan 0.000 0.438 1125 I N 5.374 125.925 120.570 -0.031 0.000 2.389 1125 I HA 0.215 4.146 4.170 -0.398 0.000 0.288 1125 I C 1.181 177.265 176.117 -0.056 0.000 0.999 1125 I CA -0.071 61.221 61.300 -0.013 0.000 1.129 1125 I CB 1.146 39.151 38.000 0.009 0.000 1.288 1125 I HN 0.596 nan 8.210 nan 0.000 0.444 1126 H N 6.991 125.971 119.070 -0.150 0.000 2.357 1126 H HA -0.036 4.432 4.556 -0.146 0.000 0.301 1126 H C 0.938 176.115 175.328 -0.251 0.000 1.082 1126 H CA 2.138 58.030 56.048 -0.260 0.000 1.342 1126 H CB 0.428 29.976 29.762 -0.358 0.000 1.389 1126 H HN 0.691 nan 8.280 nan 0.000 0.511 1127 R N -0.730 119.720 120.500 -0.083 0.000 3.922 1127 R HA -0.167 3.934 4.340 -0.398 0.000 0.447 1127 R C -0.510 175.706 176.300 -0.140 0.000 1.035 1127 R CA 1.151 57.161 56.100 -0.149 0.000 1.289 1127 R CB -1.379 28.773 30.300 -0.247 0.000 1.906 1127 R HN 0.295 nan 8.270 nan 0.000 0.540 1128 D N 0.217 120.617 120.400 0.000 0.000 3.078 1128 D HA 0.253 4.654 4.640 -0.398 0.000 0.363 1128 D C -0.606 175.697 176.300 0.005 0.000 1.391 1128 D CA -0.266 53.705 54.000 -0.048 0.000 0.754 1128 D CB 0.289 40.993 40.800 -0.159 0.000 1.238 1128 D HN 0.160 nan 8.370 nan 0.000 0.500 1129 I N 2.192 122.735 120.570 -0.045 0.000 2.436 1129 I HA 0.175 4.107 4.170 -0.398 0.000 0.289 1129 I C 0.526 176.466 176.117 -0.295 0.000 1.083 1129 I CA 0.336 61.517 61.300 -0.199 0.000 1.372 1129 I CB 0.237 38.148 38.000 -0.150 0.000 1.408 1129 I HN 0.048 nan 8.210 nan 0.000 0.516 1130 K N 3.070 123.261 120.400 -0.349 0.000 2.658 1130 K HA 0.276 4.357 4.320 -0.398 0.000 0.293 1130 K C -0.386 176.132 176.600 -0.136 0.000 1.026 1130 K CA -0.822 55.133 56.287 -0.553 0.000 0.871 1130 K CB 0.778 32.642 32.500 -1.060 0.000 1.524 1130 K HN 0.299 nan 8.250 nan 0.000 0.400 1131 D N 0.226 120.667 120.400 0.069 0.000 2.218 1131 D HA -0.175 4.226 4.640 -0.398 0.000 0.204 1131 D C 0.979 177.380 176.300 0.168 0.000 0.976 1131 D CA 1.224 55.336 54.000 0.186 0.000 0.853 1131 D CB -0.073 40.914 40.800 0.312 0.000 0.939 1131 D HN 0.670 nan 8.370 nan 0.000 0.481 1132 E N -0.552 119.715 120.200 0.111 0.000 2.358 1132 E HA -0.005 4.107 4.350 -0.398 0.000 0.195 1132 E C 0.625 177.226 176.600 0.001 0.000 1.010 1132 E CA 0.268 56.697 56.400 0.049 0.000 0.856 1132 E CB 0.074 29.731 29.700 -0.072 0.000 0.795 1132 E HN 0.175 nan 8.360 nan 0.000 0.504 1133 N N 0.141 118.817 118.700 -0.039 0.000 2.251 1133 N HA 0.165 4.666 4.740 -0.398 0.000 0.217 1133 N C -0.708 174.763 175.510 -0.066 0.000 1.124 1133 N CA 0.293 53.311 53.050 -0.054 0.000 0.843 1133 N CB 0.697 39.140 38.487 -0.075 0.000 1.024 1133 N HN 0.076 nan 8.380 nan 0.000 0.501 1134 I N 0.808 121.363 120.570 -0.024 0.000 2.447 1134 I HA 0.266 4.198 4.170 -0.398 0.000 0.287 1134 I C -0.222 175.906 176.117 0.017 0.000 1.023 1134 I CA -1.224 60.064 61.300 -0.021 0.000 1.083 1134 I CB 2.042 40.031 38.000 -0.019 0.000 1.245 1134 I HN -0.265 nan 8.210 nan 0.000 0.434 1135 V N 4.876 124.804 119.914 0.024 0.000 2.532 1135 V HA 0.661 4.543 4.120 -0.398 0.000 0.295 1135 V C -0.476 175.668 176.094 0.084 0.000 1.041 1135 V CA -0.608 61.725 62.300 0.055 0.000 0.926 1135 V CB 2.097 33.970 31.823 0.083 0.000 0.992 1135 V HN 0.709 nan 8.190 nan 0.000 0.457 1136 I N 3.429 123.994 120.570 -0.009 0.000 2.569 1136 I HA 0.870 4.802 4.170 -0.398 0.000 0.296 1136 I C 0.299 176.246 176.117 -0.284 0.000 1.028 1136 I CA -0.550 60.695 61.300 -0.092 0.000 1.082 1136 I CB 1.807 39.658 38.000 -0.248 0.000 1.264 1136 I HN 1.069 nan 8.210 nan 0.000 0.429 1137 A N 4.052 126.626 122.820 -0.409 0.000 2.326 1137 A HA 0.676 4.757 4.320 -0.398 0.000 0.303 1137 A C 0.793 177.840 177.584 -0.895 0.000 1.164 1137 A CA 0.347 51.962 52.037 -0.704 0.000 0.929 1137 A CB 0.500 19.000 19.000 -0.833 0.000 1.363 1137 A HN 0.843 nan 8.150 nan 0.000 0.498 1138 E N -0.125 119.465 120.200 -1.016 0.000 2.208 1138 E HA -0.118 3.993 4.350 -0.398 0.000 0.193 1138 E C 0.852 177.053 176.600 -0.666 0.000 0.988 1138 E CA 1.397 57.027 56.400 -1.283 0.000 0.828 1138 E CB -0.700 28.404 29.700 -0.994 0.000 0.763 1138 E HN 0.734 nan 8.360 nan 0.000 0.478 1139 D N -1.376 118.803 120.400 -0.368 0.000 2.324 1139 D HA 0.036 4.437 4.640 -0.398 0.000 0.235 1139 D C -0.002 176.411 176.300 0.188 0.000 1.095 1139 D CA -0.307 53.655 54.000 -0.064 0.000 0.871 1139 D CB -0.887 39.914 40.800 0.003 0.000 0.906 1139 D HN 0.372 nan 8.370 nan 0.000 0.522 1140 F N -0.810 119.236 119.950 0.159 0.000 3.006 1140 F HA -0.240 4.044 4.527 -0.405 0.000 0.289 1140 F C 0.375 176.293 175.800 0.196 0.000 0.772 1140 F CA 0.755 58.896 58.000 0.234 0.000 1.162 1140 F CB -2.697 36.508 39.000 0.342 0.000 1.382 1140 F HN -0.108 nan 8.300 nan 0.000 0.406 1141 T N 2.582 117.277 114.554 0.235 0.000 2.869 1141 T HA 0.653 4.764 4.350 -0.398 0.000 0.295 1141 T C 0.433 175.238 174.700 0.176 0.000 0.987 1141 T CA -0.119 62.078 62.100 0.162 0.000 1.109 1141 T CB 1.134 70.118 68.868 0.194 0.000 0.932 1141 T HN 0.362 nan 8.240 nan 0.000 0.518 1142 I N -0.160 120.415 120.570 0.009 0.000 2.693 1142 I HA 0.887 4.819 4.170 -0.398 0.000 0.303 1142 I C -0.836 175.173 176.117 -0.181 0.000 1.025 1142 I CA -1.252 60.028 61.300 -0.032 0.000 1.086 1142 I CB 2.049 40.009 38.000 -0.066 0.000 1.268 1142 I HN 0.240 nan 8.210 nan 0.000 0.440 1143 K N 4.054 124.345 120.400 -0.182 0.000 2.397 1143 K HA 0.540 4.622 4.320 -0.398 0.000 0.253 1143 K C -1.322 175.229 176.600 -0.081 0.000 0.932 1143 K CA -0.546 55.615 56.287 -0.211 0.000 0.795 1143 K CB 1.920 34.211 32.500 -0.350 0.000 1.159 1143 K HN 0.619 nan 8.250 nan 0.000 0.424 1144 L N 5.883 127.077 121.223 -0.048 0.000 2.360 1144 L HA 0.498 4.599 4.340 -0.398 0.000 0.276 1144 L C -0.568 176.381 176.870 0.132 0.000 1.121 1144 L CA 0.158 54.975 54.840 -0.037 0.000 0.845 1144 L CB -0.022 41.978 42.059 -0.098 0.000 1.143 1144 L HN 0.684 nan 8.230 nan 0.000 0.452 1145 I N 0.223 120.848 120.570 0.092 0.000 3.294 1145 I HA 0.644 4.576 4.170 -0.398 0.000 0.311 1145 I C -0.551 175.683 176.117 0.195 0.000 1.111 1145 I CA -1.072 60.352 61.300 0.207 0.000 0.976 1145 I CB 1.492 39.554 38.000 0.104 0.000 1.260 1145 I HN 0.517 nan 8.210 nan 0.000 0.474 1146 D N 0.867 121.402 120.400 0.225 0.000 3.729 1146 D HA -0.216 4.186 4.640 -0.398 0.000 0.242 1146 D C -0.766 175.495 176.300 -0.066 0.000 1.091 1146 D CA 0.649 54.708 54.000 0.099 0.000 1.096 1146 D CB -0.781 40.032 40.800 0.022 0.000 0.901 1146 D HN 0.563 nan 8.370 nan 0.000 0.416 1147 F N 0.199 120.091 119.950 -0.096 0.000 2.660 1147 F HA 0.369 4.711 4.527 -0.307 0.000 0.297 1147 F C 2.264 177.925 175.800 -0.231 0.000 1.132 1147 F CA 0.250 58.113 58.000 -0.229 0.000 1.372 1147 F CB 0.585 39.513 39.000 -0.121 0.000 1.003 1147 F HN 0.360 nan 8.300 nan 0.000 0.524 1148 G N -1.050 107.693 108.800 -0.095 0.000 2.679 1148 G HA2 -0.108 3.613 3.960 -0.398 0.000 0.212 1148 G HA3 -0.108 3.613 3.960 -0.398 0.000 0.212 1148 G C 1.477 176.295 174.900 -0.137 0.000 1.137 1148 G CA 0.654 45.701 45.100 -0.088 0.000 0.787 1148 G HN 0.319 nan 8.290 nan 0.000 0.534 1149 S N -0.477 115.078 115.700 -0.241 0.000 2.578 1149 S HA 0.516 4.748 4.470 -0.398 0.000 0.228 1149 S C 1.158 175.604 174.600 -0.257 0.000 1.022 1149 S CA -0.019 58.032 58.200 -0.248 0.000 0.967 1149 S CB 0.619 63.634 63.200 -0.309 0.000 0.914 1149 S HN 0.548 nan 8.310 nan 0.000 0.515 1150 A N 1.714 124.368 122.820 -0.276 0.000 2.462 1150 A HA 0.753 4.835 4.320 -0.398 0.000 0.243 1150 A C 0.315 177.829 177.584 -0.116 0.000 1.076 1150 A CA 0.090 51.993 52.037 -0.224 0.000 0.773 1150 A CB 0.172 19.102 19.000 -0.116 0.000 1.010 1150 A HN 0.483 nan 8.150 nan 0.000 0.493 1151 A N 1.279 124.033 122.820 -0.109 0.000 2.530 1151 A HA 0.737 4.819 4.320 -0.398 0.000 0.288 1151 A C -1.327 176.238 177.584 -0.032 0.000 1.172 1151 A CA -0.546 51.502 52.037 0.019 0.000 0.733 1151 A CB 0.643 19.747 19.000 0.172 0.000 1.320 1151 A HN 0.736 nan 8.150 nan 0.000 0.419 1152 Y N -0.071 120.341 120.300 0.186 0.000 2.323 1152 Y HA 0.476 4.795 4.550 -0.385 0.000 0.331 1152 Y C 0.084 176.117 175.900 0.221 0.000 1.092 1152 Y CA -0.346 57.845 58.100 0.153 0.000 1.150 1152 Y CB 1.256 39.766 38.460 0.082 0.000 1.200 1152 Y HN 0.411 nan 8.280 nan 0.000 0.472 1153 L N 3.387 124.802 121.223 0.321 0.000 2.319 1153 L HA 0.432 4.533 4.340 -0.398 0.000 0.280 1153 L C 0.229 177.189 176.870 0.151 0.000 1.099 1153 L CA -0.256 54.726 54.840 0.237 0.000 0.828 1153 L CB 0.028 42.195 42.059 0.180 0.000 1.150 1153 L HN 0.844 nan 8.230 nan 0.000 0.442 1154 E N 2.760 122.996 120.200 0.059 0.000 2.312 1154 E HA 0.553 4.664 4.350 -0.398 0.000 0.267 1154 E C -0.383 176.209 176.600 -0.012 0.000 0.894 1154 E CA -1.197 55.210 56.400 0.011 0.000 0.773 1154 E CB 0.939 30.623 29.700 -0.026 0.000 1.241 1154 E HN 0.489 nan 8.360 nan 0.000 0.432 1155 R N 0.599 121.093 120.500 -0.011 0.000 2.513 1155 R HA 0.341 4.443 4.340 -0.398 0.000 0.333 1155 R C 1.062 177.345 176.300 -0.027 0.000 0.925 1155 R CA 1.800 57.892 56.100 -0.013 0.000 1.072 1155 R CB -0.961 29.332 30.300 -0.011 0.000 0.914 1155 R HN 1.658 nan 8.270 nan 0.000 0.408 1156 G N 3.317 112.101 108.800 -0.026 0.000 2.314 1156 G HA2 -0.339 3.382 3.960 -0.398 0.000 0.292 1156 G HA3 -0.339 3.382 3.960 -0.398 0.000 0.292 1156 G C -0.374 174.489 174.900 -0.061 0.000 1.059 1156 G CA 0.641 45.720 45.100 -0.035 0.000 0.982 1156 G HN 0.641 nan 8.290 nan 0.000 0.505 1157 K N -0.550 119.785 120.400 -0.107 0.000 2.259 1157 K HA 0.846 4.927 4.320 -0.398 0.000 0.249 1157 K C 0.062 176.489 176.600 -0.289 0.000 0.942 1157 K CA -0.915 55.257 56.287 -0.191 0.000 0.816 1157 K CB 1.060 33.398 32.500 -0.269 0.000 1.155 1157 K HN 0.194 nan 8.250 nan 0.000 0.428 1158 L N 3.640 124.662 121.223 -0.336 0.000 2.333 1158 L HA 0.577 4.679 4.340 -0.398 0.000 0.269 1158 L C -0.772 175.644 176.870 -0.758 0.000 1.010 1158 L CA -1.056 53.477 54.840 -0.512 0.000 0.818 1158 L CB 1.262 43.017 42.059 -0.507 0.000 1.306 1158 L HN 0.532 nan 8.230 nan 0.000 0.430 1159 F N 0.407 119.900 119.950 -0.760 0.000 2.404 1159 F HA 0.300 4.597 4.527 -0.383 0.000 0.339 1159 F C 0.127 175.504 175.800 -0.706 0.000 1.105 1159 F CA -0.069 57.513 58.000 -0.697 0.000 1.087 1159 F CB 0.868 39.253 39.000 -1.024 0.000 1.143 1159 F HN 0.279 nan 8.300 nan 0.000 0.491 1160 Y N -0.153 120.150 120.300 0.006 0.000 2.531 1160 Y HA 0.266 4.578 4.550 -0.396 0.000 0.249 1160 Y C 0.258 176.229 175.900 0.119 0.000 1.168 1160 Y CA -0.214 57.912 58.100 0.044 0.000 1.226 1160 Y CB 0.648 39.113 38.460 0.009 0.000 1.177 1160 Y HN 0.386 nan 8.280 nan 0.000 0.527 1161 T N 0.509 115.234 114.554 0.286 0.000 2.886 1161 T HA 0.275 4.386 4.350 -0.398 0.000 0.292 1161 T C -1.557 173.394 174.700 0.418 0.000 1.012 1161 T CA -0.525 61.746 62.100 0.286 0.000 0.982 1161 T CB 1.500 70.492 68.868 0.205 0.000 1.018 1161 T HN -0.055 nan 8.240 nan 0.000 0.451 1162 F N 2.325 122.398 119.950 0.206 0.000 2.405 1162 F HA 0.435 4.722 4.527 -0.401 0.000 0.355 1162 F C 0.293 176.134 175.800 0.067 0.000 1.121 1162 F CA -1.389 56.696 58.000 0.143 0.000 1.112 1162 F CB 0.326 39.357 39.000 0.051 0.000 1.126 1162 F HN 0.606 nan 8.300 nan 0.000 0.481 1163 C N 4.982 123.957 119.300 -0.543 0.000 2.863 1163 C HA 0.572 4.794 4.460 -0.398 0.000 0.284 1163 C C 1.098 175.718 174.990 -0.616 0.000 1.426 1163 C CA -0.120 58.639 59.018 -0.431 0.000 1.782 1163 C CB -1.129 26.487 27.740 -0.207 0.000 2.554 1163 C HN 0.990 nan 8.230 nan 0.000 0.566 1164 G N 0.349 108.429 108.800 -1.200 0.000 3.217 1164 G HA2 0.554 4.275 3.960 -0.398 0.000 0.213 1164 G HA3 0.554 4.275 3.960 -0.398 0.000 0.213 1164 G C -0.911 173.705 174.900 -0.473 0.000 1.294 1164 G CA -0.018 44.616 45.100 -0.778 0.000 0.987 1164 G HN 0.170 nan 8.290 nan 0.000 0.584 1165 T N 1.043 115.546 114.554 -0.085 0.000 2.744 1165 T HA 0.197 4.308 4.350 -0.398 0.000 0.291 1165 T C 1.288 176.244 174.700 0.427 0.000 0.957 1165 T CA -0.226 61.964 62.100 0.149 0.000 1.002 1165 T CB 1.743 70.684 68.868 0.122 0.000 0.919 1165 T HN 0.299 nan 8.240 nan 0.000 0.468 1166 I N 2.706 123.506 120.570 0.384 0.000 2.454 1166 I HA -0.092 3.839 4.170 -0.398 0.000 0.254 1166 I C 1.932 178.201 176.117 0.252 0.000 1.156 1166 I CA 1.489 63.003 61.300 0.357 0.000 1.433 1166 I CB -0.014 38.121 38.000 0.224 0.000 1.082 1166 I HN 0.596 nan 8.210 nan 0.000 0.432 1167 E N -1.005 119.367 120.200 0.286 0.000 2.338 1167 E HA -0.158 3.954 4.350 -0.398 0.000 0.197 1167 E C 0.910 177.594 176.600 0.139 0.000 1.007 1167 E CA 0.964 57.486 56.400 0.204 0.000 0.849 1167 E CB -0.152 29.663 29.700 0.192 0.000 0.774 1167 E HN 0.575 nan 8.360 nan 0.000 0.506 1168 Y N -1.406 119.052 120.300 0.263 0.000 2.555 1168 Y HA 0.220 4.573 4.550 -0.329 0.000 0.259 1168 Y C 0.174 176.303 175.900 0.381 0.000 1.179 1168 Y CA -0.798 57.495 58.100 0.322 0.000 1.230 1168 Y CB 0.410 39.016 38.460 0.244 0.000 1.146 1168 Y HN -0.033 nan 8.280 nan 0.000 0.526 1169 C N 1.960 121.429 119.300 0.281 0.000 2.369 1169 C HA 0.789 5.010 4.460 -0.398 0.000 0.358 1169 C C 0.977 175.654 174.990 -0.522 0.000 1.274 1169 C CA -0.971 57.950 59.018 -0.161 0.000 1.935 1169 C CB -1.161 26.268 27.740 -0.519 0.000 2.431 1169 C HN 0.501 nan 8.230 nan 0.000 0.545 1170 A N 7.671 130.003 122.820 -0.814 0.000 2.425 1170 A HA 0.400 4.481 4.320 -0.398 0.000 0.242 1170 A C -1.338 175.646 177.584 -0.999 0.000 1.077 1170 A CA -0.671 50.532 52.037 -1.390 0.000 0.781 1170 A CB -0.059 18.488 19.000 -0.754 0.000 1.020 1170 A HN 0.761 nan 8.150 nan 0.000 0.494 1171 P HA -0.211 nan 4.420 nan 0.000 0.216 1171 P C 1.301 178.347 177.300 -0.425 0.000 1.150 1171 P CA 1.668 64.382 63.100 -0.643 0.000 0.837 1171 P CB 0.058 31.414 31.700 -0.573 0.000 0.786 1172 E N -0.188 119.786 120.200 -0.378 0.000 2.268 1172 E HA -0.083 4.028 4.350 -0.398 0.000 0.195 1172 E C 1.602 178.072 176.600 -0.216 0.000 0.995 1172 E CA 1.203 57.461 56.400 -0.236 0.000 0.836 1172 E CB -1.048 28.551 29.700 -0.167 0.000 0.763 1172 E HN 0.133 nan 8.360 nan 0.000 0.491 1173 V N 1.124 120.852 119.914 -0.309 0.000 2.825 1173 V HA -0.030 3.851 4.120 -0.398 0.000 0.246 1173 V C 2.433 178.333 176.094 -0.323 0.000 1.068 1173 V CA 0.497 62.617 62.300 -0.301 0.000 1.088 1173 V CB -0.286 31.264 31.823 -0.454 0.000 0.733 1173 V HN 0.135 nan 8.190 nan 0.000 0.468 1174 L N -0.550 120.450 121.223 -0.372 0.000 2.362 1174 L HA -0.050 4.052 4.340 -0.398 0.000 0.219 1174 L C 2.034 178.793 176.870 -0.185 0.000 1.134 1174 L CA 1.280 55.948 54.840 -0.287 0.000 0.807 1174 L CB -0.327 41.554 42.059 -0.297 0.000 0.927 1174 L HN 0.328 nan 8.230 nan 0.000 0.447 1175 M N -0.807 118.688 119.600 -0.174 0.000 2.453 1175 M HA 0.215 4.456 4.480 -0.398 0.000 0.239 1175 M C 1.155 177.409 176.300 -0.075 0.000 1.151 1175 M CA 0.459 55.689 55.300 -0.117 0.000 0.989 1175 M CB 0.529 33.056 32.600 -0.121 0.000 1.548 1175 M HN 0.350 nan 8.290 nan 0.000 0.479 1176 G N 1.324 110.083 108.800 -0.068 0.000 2.132 1176 G HA2 -0.207 3.515 3.960 -0.398 0.000 0.234 1176 G HA3 -0.207 3.515 3.960 -0.398 0.000 0.234 1176 G C -0.318 174.583 174.900 0.002 0.000 0.989 1176 G CA -0.360 44.730 45.100 -0.017 0.000 0.676 1176 G HN 0.500 nan 8.290 nan 0.000 0.522 1177 N N 1.733 120.421 118.700 -0.020 0.000 2.422 1177 N HA 0.399 4.900 4.740 -0.398 0.000 0.264 1177 N C -2.582 172.941 175.510 0.022 0.000 1.063 1177 N CA -1.020 52.025 53.050 -0.009 0.000 0.959 1177 N CB 1.287 39.756 38.487 -0.030 0.000 1.087 1177 N HN 0.081 nan 8.380 nan 0.000 0.483 1178 P HA -0.044 nan 4.420 nan 0.000 0.264 1178 P C -0.841 176.411 177.300 -0.079 0.000 1.183 1178 P CA 0.473 63.468 63.100 -0.175 0.000 0.763 1178 P CB 0.091 31.486 31.700 -0.509 0.000 0.807 1179 Y N 0.197 120.456 120.300 -0.069 0.000 2.509 1179 Y HA 0.597 4.911 4.550 -0.393 0.000 0.341 1179 Y C 1.391 177.361 175.900 0.116 0.000 1.038 1179 Y CA -1.355 56.756 58.100 0.018 0.000 1.089 1179 Y CB 1.150 39.633 38.460 0.039 0.000 1.241 1179 Y HN 0.191 nan 8.280 nan 0.000 0.468 1180 R N 0.921 121.552 120.500 0.218 0.000 2.062 1180 R HA 0.273 4.374 4.340 -0.398 0.000 0.226 1180 R C 0.992 177.530 176.300 0.398 0.000 1.125 1180 R CA 1.889 58.105 56.100 0.194 0.000 0.966 1180 R CB -0.461 29.912 30.300 0.122 0.000 0.861 1180 R HN 1.228 nan 8.270 nan 0.000 0.433 1181 G N -1.500 107.558 108.800 0.430 0.000 2.893 1181 G HA2 -0.158 3.564 3.960 -0.398 0.000 0.160 1181 G HA3 -0.158 3.564 3.960 -0.398 0.000 0.160 1181 G C -1.686 173.330 174.900 0.195 0.000 2.432 1181 G CA -0.007 45.309 45.100 0.360 0.000 1.388 1181 G HN 0.203 nan 8.290 nan 0.000 0.415 1182 P HA -0.051 nan 4.420 nan 0.000 0.217 1182 P C 1.433 178.797 177.300 0.108 0.000 1.158 1182 P CA 2.105 65.271 63.100 0.110 0.000 0.887 1182 P CB -0.129 31.629 31.700 0.097 0.000 0.792 1183 E N -1.108 119.159 120.200 0.111 0.000 2.110 1183 E HA -0.152 3.959 4.350 -0.398 0.000 0.193 1183 E C 1.896 178.566 176.600 0.116 0.000 0.988 1183 E CA 0.779 57.243 56.400 0.106 0.000 0.804 1183 E CB -0.992 28.759 29.700 0.084 0.000 0.745 1183 E HN 0.147 nan 8.360 nan 0.000 0.458 1184 L N 0.979 122.246 121.223 0.073 0.000 2.109 1184 L HA -0.107 3.994 4.340 -0.398 0.000 0.207 1184 L C 2.193 179.133 176.870 0.116 0.000 1.086 1184 L CA 1.751 56.606 54.840 0.026 0.000 0.760 1184 L CB -0.234 41.715 42.059 -0.183 0.000 0.910 1184 L HN 0.098 nan 8.230 nan 0.000 0.437 1185 E N -0.800 119.457 120.200 0.095 0.000 2.085 1185 E HA -0.265 3.846 4.350 -0.398 0.000 0.194 1185 E C 2.063 178.749 176.600 0.143 0.000 0.994 1185 E CA 1.737 58.199 56.400 0.103 0.000 0.801 1185 E CB -0.026 29.716 29.700 0.070 0.000 0.743 1185 E HN 0.406 nan 8.360 nan 0.000 0.453 1186 M N 0.005 119.696 119.600 0.151 0.000 2.117 1186 M HA -0.169 4.072 4.480 -0.398 0.000 0.262 1186 M C 2.132 178.550 176.300 0.197 0.000 1.065 1186 M CA 1.156 56.550 55.300 0.158 0.000 1.114 1186 M CB -1.588 31.097 32.600 0.141 0.000 1.361 1186 M HN 0.449 nan 8.290 nan 0.000 0.408 1187 W N 1.893 123.230 121.300 0.062 0.000 2.335 1187 W HA -0.239 4.178 4.660 -0.405 0.000 0.311 1187 W C 2.445 179.029 176.519 0.108 0.000 1.213 1187 W CA 2.573 59.956 57.345 0.064 0.000 1.274 1187 W CB -0.566 28.906 29.460 0.020 0.000 1.148 1187 W HN 0.449 nan 8.180 nan 0.000 0.498 1188 S N 0.619 116.528 115.700 0.348 0.000 2.399 1188 S HA -0.217 4.015 4.470 -0.398 0.000 0.231 1188 S C 2.059 176.815 174.600 0.261 0.000 1.022 1188 S CA 1.409 59.823 58.200 0.356 0.000 0.983 1188 S CB -0.990 62.422 63.200 0.352 0.000 0.803 1188 S HN 0.346 nan 8.310 nan 0.000 0.480 1189 L N 1.284 122.621 121.223 0.191 0.000 2.093 1189 L HA 0.065 4.166 4.340 -0.398 0.000 0.208 1189 L C 3.010 179.999 176.870 0.198 0.000 1.085 1189 L CA 1.075 56.060 54.840 0.241 0.000 0.755 1189 L CB -1.153 41.047 42.059 0.235 0.000 0.904 1189 L HN 0.530 nan 8.230 nan 0.000 0.435 1190 G N -0.285 108.520 108.800 0.009 0.000 2.421 1190 G HA2 -0.199 3.522 3.960 -0.398 0.000 0.216 1190 G HA3 -0.199 3.522 3.960 -0.398 0.000 0.216 1190 G C 1.557 176.336 174.900 -0.201 0.000 1.171 1190 G CA 1.003 46.002 45.100 -0.168 0.000 0.775 1190 G HN 0.203 nan 8.290 nan 0.000 0.543 1191 V N 0.977 120.744 119.914 -0.245 0.000 2.358 1191 V HA -0.159 3.722 4.120 -0.398 0.000 0.246 1191 V C 3.115 179.200 176.094 -0.016 0.000 1.047 1191 V CA 2.262 64.408 62.300 -0.257 0.000 1.035 1191 V CB -1.024 30.518 31.823 -0.468 0.000 0.658 1191 V HN 0.375 nan 8.190 nan 0.000 0.452 1192 T N 0.734 115.420 114.554 0.219 0.000 2.708 1192 T HA -0.177 3.934 4.350 -0.398 0.000 0.266 1192 T C 1.911 176.702 174.700 0.153 0.000 1.037 1192 T CA 1.854 64.145 62.100 0.319 0.000 1.146 1192 T CB -0.343 68.733 68.868 0.347 0.000 0.865 1192 T HN 0.312 nan 8.240 nan 0.000 0.435 1193 L N 0.290 121.525 121.223 0.019 0.000 1.994 1193 L HA -0.039 4.062 4.340 -0.398 0.000 0.208 1193 L C 2.190 178.922 176.870 -0.231 0.000 1.071 1193 L CA 1.724 56.377 54.840 -0.312 0.000 0.745 1193 L CB -0.952 40.633 42.059 -0.791 0.000 0.892 1193 L HN 0.264 nan 8.230 nan 0.000 0.431 1194 Y N 0.266 120.419 120.300 -0.245 0.000 2.165 1194 Y HA -0.264 4.043 4.550 -0.405 0.000 0.286 1194 Y C 2.414 178.267 175.900 -0.078 0.000 1.155 1194 Y CA 2.331 60.354 58.100 -0.129 0.000 1.164 1194 Y CB -0.778 37.585 38.460 -0.162 0.000 0.978 1194 Y HN 0.278 nan 8.280 nan 0.000 0.513 1195 T N 0.801 115.460 114.554 0.175 0.000 2.746 1195 T HA -0.194 3.918 4.350 -0.398 0.000 0.267 1195 T C 1.820 176.539 174.700 0.032 0.000 1.039 1195 T CA 1.437 63.611 62.100 0.124 0.000 1.142 1195 T CB -0.648 68.304 68.868 0.139 0.000 0.866 1195 T HN 0.309 nan 8.240 nan 0.000 0.444 1196 L N 2.153 123.384 121.223 0.014 0.000 2.027 1196 L HA -0.052 4.049 4.340 -0.398 0.000 0.206 1196 L C 2.592 179.423 176.870 -0.066 0.000 1.074 1196 L CA 1.557 56.414 54.840 0.028 0.000 0.745 1196 L CB -0.695 41.408 42.059 0.074 0.000 0.898 1196 L HN 0.271 nan 8.230 nan 0.000 0.433 1197 V N -3.606 116.151 119.914 -0.261 0.000 2.283 1197 V HA -0.135 3.747 4.120 -0.398 0.000 0.243 1197 V C 2.068 177.889 176.094 -0.455 0.000 1.039 1197 V CA 1.534 63.560 62.300 -0.456 0.000 1.016 1197 V CB -1.240 30.077 31.823 -0.844 0.000 0.650 1197 V HN 0.278 nan 8.190 nan 0.000 0.449 1198 F N 0.753 120.499 119.950 -0.341 0.000 2.776 1198 F HA 0.410 4.698 4.527 -0.399 0.000 0.300 1198 F C 1.388 176.949 175.800 -0.399 0.000 1.116 1198 F CA 0.001 57.644 58.000 -0.594 0.000 1.375 1198 F CB -0.725 37.663 39.000 -1.021 0.000 1.109 1198 F HN 0.254 nan 8.300 nan 0.000 0.585 1199 E N 0.783 120.952 120.200 -0.051 0.000 2.722 1199 E HA -0.259 3.853 4.350 -0.398 0.000 0.265 1199 E C -0.130 176.450 176.600 -0.034 0.000 1.081 1199 E CA 0.909 57.290 56.400 -0.031 0.000 0.781 1199 E CB -1.582 28.125 29.700 0.010 0.000 1.372 1199 E HN 0.739 nan 8.360 nan 0.000 0.423 1200 E N -0.839 119.378 120.200 0.028 0.000 2.412 1200 E HA 0.419 4.531 4.350 -0.398 0.000 0.279 1200 E C -0.777 175.886 176.600 0.106 0.000 0.984 1200 E CA -1.038 55.387 56.400 0.041 0.000 0.788 1200 E CB 1.002 30.713 29.700 0.018 0.000 1.277 1200 E HN -0.051 nan 8.360 nan 0.000 0.455 1201 N N 1.478 120.174 118.700 -0.007 0.000 2.518 1201 N HA 0.083 4.585 4.740 -0.398 0.000 0.266 1201 N C -1.713 173.542 175.510 -0.424 0.000 1.196 1201 N CA -1.061 51.899 53.050 -0.149 0.000 0.947 1201 N CB 1.106 39.528 38.487 -0.108 0.000 1.098 1201 N HN 0.380 nan 8.380 nan 0.000 0.450 1202 P HA 0.023 nan 4.420 nan 0.000 0.221 1202 P C -0.628 175.866 177.300 -1.343 0.000 1.150 1202 P CA 1.235 63.277 63.100 -1.763 0.000 0.800 1202 P CB 0.206 30.518 31.700 -2.313 0.000 0.787 1203 F N -2.167 117.619 119.950 -0.273 0.000 2.539 1203 F HA 0.250 4.535 4.527 -0.403 0.000 0.328 1203 F C 1.226 176.976 175.800 -0.083 0.000 1.148 1203 F CA -0.977 56.940 58.000 -0.138 0.000 0.940 1203 F CB 0.100 39.054 39.000 -0.077 0.000 1.194 1203 F HN -0.223 nan 8.300 nan 0.000 0.438 1204 C N 0.940 120.294 119.300 0.090 0.000 2.429 1204 C HA 0.069 4.290 4.460 -0.398 0.000 0.277 1204 C C 1.479 176.512 174.990 0.071 0.000 1.262 1204 C CA 1.379 60.431 59.018 0.056 0.000 1.733 1204 C CB -0.966 26.794 27.740 0.033 0.000 2.010 1204 C HN 0.880 nan 8.230 nan 0.000 0.483 1205 E N -0.417 119.832 120.200 0.080 0.000 2.207 1205 E HA 0.532 4.643 4.350 -0.398 0.000 0.270 1205 E C 0.232 176.852 176.600 0.034 0.000 0.927 1205 E CA -0.493 55.935 56.400 0.047 0.000 0.799 1205 E CB 0.564 30.278 29.700 0.023 0.000 1.172 1205 E HN 0.156 nan 8.360 nan 0.000 0.404 1206 L N 0.748 121.975 121.223 0.007 0.000 2.083 1206 L HA -0.072 4.029 4.340 -0.398 0.000 0.209 1206 L C 2.275 179.083 176.870 -0.103 0.000 1.083 1206 L CA 2.147 56.967 54.840 -0.033 0.000 0.752 1206 L CB -0.021 42.022 42.059 -0.027 0.000 0.899 1206 L HN 0.874 nan 8.230 nan 0.000 0.433 1207 E N -0.875 119.273 120.200 -0.087 0.000 2.216 1207 E HA -0.134 3.977 4.350 -0.398 0.000 0.192 1207 E C 1.797 178.312 176.600 -0.143 0.000 0.988 1207 E CA 0.786 57.118 56.400 -0.113 0.000 0.834 1207 E CB -0.029 29.627 29.700 -0.075 0.000 0.772 1207 E HN 0.649 nan 8.360 nan 0.000 0.479 1208 E N 0.855 120.985 120.200 -0.116 0.000 2.520 1208 E HA -0.072 4.039 4.350 -0.398 0.000 0.201 1208 E C 1.583 177.974 176.600 -0.347 0.000 1.122 1208 E CA 0.936 57.266 56.400 -0.116 0.000 0.896 1208 E CB -0.854 28.855 29.700 0.015 0.000 0.891 1208 E HN 0.069 nan 8.360 nan 0.000 0.533 1209 T N -0.368 113.891 114.554 -0.493 0.000 3.009 1209 T HA 0.003 4.115 4.350 -0.398 0.000 0.258 1209 T C 2.305 176.711 174.700 -0.490 0.000 1.063 1209 T CA 1.229 62.844 62.100 -0.808 0.000 1.139 1209 T CB -0.026 68.489 68.868 -0.589 0.000 0.890 1209 T HN 0.598 nan 8.240 nan 0.000 0.471 1210 V N 0.921 120.635 119.914 -0.332 0.000 2.490 1210 V HA 0.003 3.885 4.120 -0.398 0.000 0.250 1210 V C 2.306 178.311 176.094 -0.149 0.000 1.061 1210 V CA 2.277 64.434 62.300 -0.239 0.000 1.064 1210 V CB -1.348 30.364 31.823 -0.185 0.000 0.670 1210 V HN 0.529 nan 8.190 nan 0.000 0.461 1211 E N 0.127 120.254 120.200 -0.121 0.000 2.190 1211 E HA 0.427 4.538 4.350 -0.398 0.000 0.191 1211 E C 1.831 178.428 176.600 -0.004 0.000 0.978 1211 E CA 1.559 57.930 56.400 -0.048 0.000 0.839 1211 E CB -0.683 29.003 29.700 -0.023 0.000 0.787 1211 E HN 2.262 nan 8.360 nan 0.000 0.473 1212 A N -1.129 121.662 122.820 -0.049 0.000 2.822 1212 A HA 0.089 4.170 4.320 -0.398 0.000 0.287 1212 A C 1.049 178.797 177.584 0.273 0.000 1.479 1212 A CA 0.933 53.037 52.037 0.113 0.000 0.779 1212 A CB -2.456 16.696 19.000 0.254 0.000 1.022 1212 A HN 1.803 nan 8.150 nan 0.000 0.532 1213 A N 0.196 123.150 122.820 0.224 0.000 2.395 1213 A HA 0.547 4.629 4.320 -0.398 0.000 0.286 1213 A C 0.359 178.032 177.584 0.147 0.000 1.193 1213 A CA 0.418 52.543 52.037 0.147 0.000 0.852 1213 A CB -0.468 18.624 19.000 0.153 0.000 1.118 1213 A HN 1.797 nan 8.150 nan 0.000 0.524 1214 I N 0.357 120.888 120.570 -0.065 0.000 2.378 1214 I HA 0.486 4.417 4.170 -0.398 0.000 0.291 1214 I C -0.580 175.332 176.117 -0.343 0.000 0.992 1214 I CA -0.461 60.726 61.300 -0.188 0.000 1.154 1214 I CB 1.433 39.286 38.000 -0.246 0.000 1.315 1214 I HN 0.547 nan 8.210 nan 0.000 0.448 1215 H N 5.717 124.700 119.070 -0.145 0.000 2.736 1215 H HA 0.377 4.694 4.556 -0.398 0.000 0.271 1215 H C -2.377 172.802 175.328 -0.249 0.000 1.184 1215 H CA -1.511 54.443 56.048 -0.156 0.000 1.378 1215 H CB 0.955 30.653 29.762 -0.106 0.000 1.428 1215 H HN 0.490 nan 8.280 nan 0.000 0.500 1216 P HA 0.016 nan 4.420 nan 0.000 0.267 1216 P C -1.569 175.417 177.300 -0.522 0.000 1.205 1216 P CA -1.017 61.563 63.100 -0.866 0.000 0.765 1216 P CB 0.879 31.830 31.700 -1.249 0.000 0.828 1217 P HA -0.082 nan 4.420 nan 0.000 0.223 1217 P C -0.284 177.022 177.300 0.009 0.000 1.151 1217 P CA 1.357 64.297 63.100 -0.266 0.000 0.787 1217 P CB 0.191 31.647 31.700 -0.406 0.000 0.788 1218 Y N -0.726 119.589 120.300 0.024 0.000 2.487 1218 Y HA 0.445 4.755 4.550 -0.399 0.000 0.337 1218 Y C 0.497 176.459 175.900 0.103 0.000 1.076 1218 Y CA -2.747 55.421 58.100 0.114 0.000 1.115 1218 Y CB 0.173 38.759 38.460 0.211 0.000 1.235 1218 Y HN -0.295 nan 8.280 nan 0.000 0.468 1219 L N 3.784 125.149 121.223 0.237 0.000 2.313 1219 L HA 0.566 4.667 4.340 -0.398 0.000 0.282 1219 L C -0.145 176.813 176.870 0.147 0.000 1.092 1219 L CA -0.131 54.793 54.840 0.141 0.000 0.831 1219 L CB -0.111 41.995 42.059 0.078 0.000 1.159 1219 L HN 0.509 nan 8.230 nan 0.000 0.442 1220 V N 1.468 121.463 119.914 0.136 0.000 3.119 1220 V HA 0.800 4.681 4.120 -0.398 0.000 0.311 1220 V C 0.023 176.159 176.094 0.070 0.000 1.259 1220 V CA -0.341 62.020 62.300 0.102 0.000 1.067 1220 V CB 1.319 33.197 31.823 0.091 0.000 1.123 1220 V HN 0.849 nan 8.190 nan 0.000 0.463 1221 S N -0.021 115.722 115.700 0.072 0.000 2.600 1221 S HA 0.485 4.716 4.470 -0.398 0.000 0.265 1221 S C 1.230 175.850 174.600 0.033 0.000 1.325 1221 S CA 0.388 58.631 58.200 0.072 0.000 1.002 1221 S CB 1.143 64.424 63.200 0.135 0.000 0.921 1221 S HN 1.738 nan 8.310 nan 0.000 0.554 1222 K N 0.985 121.405 120.400 0.035 0.000 2.147 1222 K HA -0.045 4.037 4.320 -0.398 0.000 0.205 1222 K C 1.814 178.417 176.600 0.005 0.000 1.049 1222 K CA 1.985 58.281 56.287 0.015 0.000 0.936 1222 K CB -1.356 31.157 32.500 0.022 0.000 0.722 1222 K HN 0.826 nan 8.250 nan 0.000 0.446 1223 E N 0.027 120.253 120.200 0.043 0.000 2.072 1223 E HA -0.053 4.058 4.350 -0.398 0.000 0.191 1223 E C 1.953 178.512 176.600 -0.068 0.000 0.985 1223 E CA 0.997 57.437 56.400 0.067 0.000 0.801 1223 E CB -0.182 29.638 29.700 0.200 0.000 0.750 1223 E HN 0.367 nan 8.360 nan 0.000 0.452 1224 L N 0.066 121.148 121.223 -0.236 0.000 2.027 1224 L HA -0.124 3.978 4.340 -0.398 0.000 0.206 1224 L C 1.908 178.553 176.870 -0.375 0.000 1.074 1224 L CA 1.712 56.146 54.840 -0.677 0.000 0.745 1224 L CB -0.481 41.112 42.059 -0.777 0.000 0.898 1224 L HN 0.167 nan 8.230 nan 0.000 0.433 1225 M N -0.421 119.071 119.600 -0.179 0.000 2.082 1225 M HA -0.201 4.041 4.480 -0.398 0.000 0.258 1225 M C 2.573 178.813 176.300 -0.100 0.000 1.069 1225 M CA 2.096 57.334 55.300 -0.104 0.000 1.102 1225 M CB -1.659 30.908 32.600 -0.056 0.000 1.336 1225 M HN 0.631 nan 8.290 nan 0.000 0.404 1226 S N 0.251 115.903 115.700 -0.080 0.000 2.402 1226 S HA -0.120 4.111 4.470 -0.398 0.000 0.229 1226 S C 1.918 176.481 174.600 -0.061 0.000 1.021 1226 S CA 1.053 59.223 58.200 -0.050 0.000 0.974 1226 S CB -0.828 62.362 63.200 -0.018 0.000 0.800 1226 S HN 0.390 nan 8.310 nan 0.000 0.484 1227 L N 2.925 124.084 121.223 -0.107 0.000 1.994 1227 L HA -0.015 4.087 4.340 -0.398 0.000 0.208 1227 L C 2.649 179.432 176.870 -0.145 0.000 1.071 1227 L CA 2.241 57.009 54.840 -0.120 0.000 0.745 1227 L CB -1.045 40.888 42.059 -0.210 0.000 0.892 1227 L HN 0.375 nan 8.230 nan 0.000 0.431 1228 V N -3.188 116.602 119.914 -0.207 0.000 2.407 1228 V HA -0.183 3.698 4.120 -0.398 0.000 0.248 1228 V C 2.286 178.313 176.094 -0.112 0.000 1.055 1228 V CA 2.033 64.232 62.300 -0.168 0.000 1.049 1228 V CB -1.334 30.421 31.823 -0.114 0.000 0.662 1228 V HN 0.492 nan 8.190 nan 0.000 0.455 1229 S N 1.357 117.008 115.700 -0.081 0.000 2.383 1229 S HA 0.035 4.266 4.470 -0.398 0.000 0.227 1229 S C 2.068 176.655 174.600 -0.023 0.000 1.026 1229 S CA 1.357 59.527 58.200 -0.050 0.000 0.981 1229 S CB -0.885 62.291 63.200 -0.041 0.000 0.818 1229 S HN 0.845 nan 8.310 nan 0.000 0.472 1230 G N 1.939 110.728 108.800 -0.018 0.000 2.446 1230 G HA2 -0.161 3.560 3.960 -0.398 0.000 0.217 1230 G HA3 -0.161 3.560 3.960 -0.398 0.000 0.217 1230 G C 1.292 176.209 174.900 0.028 0.000 1.168 1230 G CA 0.727 45.835 45.100 0.013 0.000 0.771 1230 G HN 0.452 nan 8.290 nan 0.000 0.551 1231 L N -0.239 120.983 121.223 -0.002 0.000 2.217 1231 L HA 0.202 4.303 4.340 -0.398 0.000 0.211 1231 L C 1.746 178.580 176.870 -0.060 0.000 1.107 1231 L CA 0.284 55.126 54.840 0.003 0.000 0.783 1231 L CB -0.060 41.989 42.059 -0.016 0.000 0.919 1231 L HN 0.114 nan 8.230 nan 0.000 0.442 1232 L N 0.305 121.437 121.223 -0.152 0.000 2.978 1232 L HA 0.148 4.249 4.340 -0.398 0.000 0.239 1232 L C 0.305 177.240 176.870 0.108 0.000 1.293 1232 L CA -0.377 54.265 54.840 -0.331 0.000 1.085 1232 L CB -0.073 41.731 42.059 -0.424 0.000 1.432 1232 L HN 0.154 nan 8.230 nan 0.000 0.512 1233 Q N 1.195 121.121 119.800 0.210 0.000 2.307 1233 Q HA 0.181 4.282 4.340 -0.398 0.000 0.259 1233 Q C -1.816 174.372 176.000 0.314 0.000 0.998 1233 Q CA -1.462 54.472 55.803 0.218 0.000 0.923 1233 Q CB 1.382 30.197 28.738 0.128 0.000 1.196 1233 Q HN -0.060 nan 8.270 nan 0.000 0.416 1234 P HA -0.153 nan 4.420 nan 0.000 0.216 1234 P C -0.492 176.795 177.300 -0.021 0.000 1.150 1234 P CA 0.875 64.008 63.100 0.055 0.000 0.843 1234 P CB 0.181 31.884 31.700 0.005 0.000 0.787 1235 V N 2.596 122.523 119.914 0.020 0.000 2.408 1235 V HA 0.077 3.958 4.120 -0.398 0.000 0.267 1235 V C -1.031 175.077 176.094 0.024 0.000 1.047 1235 V CA -1.113 61.189 62.300 0.002 0.000 0.937 1235 V CB 0.747 32.576 31.823 0.009 0.000 0.999 1235 V HN 0.099 nan 8.190 nan 0.000 0.472 1236 P HA -0.199 nan 4.420 nan 0.000 0.216 1236 P C 1.120 178.446 177.300 0.043 0.000 1.150 1236 P CA 1.327 64.441 63.100 0.025 0.000 0.843 1236 P CB 0.317 32.017 31.700 0.000 0.000 0.787 1237 E N 0.121 120.339 120.200 0.031 0.000 2.478 1237 E HA -0.058 4.054 4.350 -0.398 0.000 0.194 1237 E C 1.539 178.161 176.600 0.037 0.000 1.045 1237 E CA 0.330 56.751 56.400 0.034 0.000 0.868 1237 E CB -0.311 29.404 29.700 0.024 0.000 0.885 1237 E HN 0.286 nan 8.360 nan 0.000 0.505 1238 R N 0.624 121.148 120.500 0.041 0.000 2.362 1238 R HA 0.214 4.316 4.340 -0.398 0.000 0.227 1238 R C 0.895 177.230 176.300 0.058 0.000 0.905 1238 R CA -0.314 55.812 56.100 0.044 0.000 1.067 1238 R CB 0.376 30.698 30.300 0.038 0.000 1.078 1238 R HN -0.048 nan 8.270 nan 0.000 0.516 1239 R N 1.475 122.020 120.500 0.074 0.000 2.543 1239 R HA 0.062 4.163 4.340 -0.398 0.000 0.277 1239 R C -0.502 175.846 176.300 0.081 0.000 1.074 1239 R CA 0.049 56.207 56.100 0.096 0.000 1.076 1239 R CB 0.684 31.064 30.300 0.133 0.000 0.993 1239 R HN -0.106 nan 8.270 nan 0.000 0.459 1240 T N 2.963 117.563 114.554 0.077 0.000 2.891 1240 T HA -0.090 4.022 4.350 -0.398 0.000 0.296 1240 T C 0.403 175.150 174.700 0.079 0.000 1.025 1240 T CA 0.586 62.730 62.100 0.072 0.000 1.149 1240 T CB 0.624 69.534 68.868 0.071 0.000 1.007 1240 T HN 0.545 nan 8.240 nan 0.000 0.528 1241 T N 1.777 116.372 114.554 0.069 0.000 2.881 1241 T HA 0.311 4.422 4.350 -0.398 0.000 0.278 1241 T C 1.368 176.107 174.700 0.064 0.000 0.982 1241 T CA -0.914 61.226 62.100 0.066 0.000 0.989 1241 T CB 0.662 69.564 68.868 0.056 0.000 1.058 1241 T HN 0.451 nan 8.240 nan 0.000 0.529 1242 L N 2.166 123.423 121.223 0.057 0.000 2.017 1242 L HA 0.037 4.138 4.340 -0.398 0.000 0.208 1242 L C 2.304 179.199 176.870 0.042 0.000 1.073 1242 L CA 2.022 56.890 54.840 0.046 0.000 0.745 1242 L CB -0.776 41.303 42.059 0.034 0.000 0.894 1242 L HN 0.708 nan 8.230 nan 0.000 0.432 1243 E N -0.245 119.980 120.200 0.041 0.000 2.118 1243 E HA -0.268 3.843 4.350 -0.398 0.000 0.195 1243 E C 2.188 178.815 176.600 0.046 0.000 0.992 1243 E CA 1.518 57.942 56.400 0.039 0.000 0.804 1243 E CB -0.291 29.431 29.700 0.036 0.000 0.741 1243 E HN 0.444 nan 8.360 nan 0.000 0.458 1244 K N 0.108 120.539 120.400 0.052 0.000 2.057 1244 K HA -0.109 3.973 4.320 -0.398 0.000 0.206 1244 K C 2.014 178.658 176.600 0.073 0.000 1.050 1244 K CA 0.768 57.090 56.287 0.059 0.000 0.935 1244 K CB -0.114 32.421 32.500 0.058 0.000 0.715 1244 K HN 0.102 nan 8.250 nan 0.000 0.439 1245 L N 1.082 122.353 121.223 0.080 0.000 2.046 1245 L HA -0.129 3.972 4.340 -0.398 0.000 0.208 1245 L C 1.926 178.855 176.870 0.099 0.000 1.077 1245 L CA 1.434 56.339 54.840 0.108 0.000 0.747 1245 L CB -0.459 41.665 42.059 0.109 0.000 0.896 1245 L HN -0.040 nan 8.230 nan 0.000 0.432 1246 V N -0.962 118.990 119.914 0.063 0.000 2.453 1246 V HA -0.294 3.588 4.120 -0.398 0.000 0.252 1246 V C 2.465 178.596 176.094 0.062 0.000 1.068 1246 V CA 2.177 64.507 62.300 0.049 0.000 1.070 1246 V CB -0.997 30.846 31.823 0.035 0.000 0.664 1246 V HN 0.666 nan 8.190 nan 0.000 0.461 1247 T N -1.799 112.796 114.554 0.068 0.000 3.060 1247 T HA 0.049 4.160 4.350 -0.398 0.000 0.249 1247 T C 0.567 175.316 174.700 0.082 0.000 1.079 1247 T CA -0.122 62.018 62.100 0.066 0.000 1.013 1247 T CB -0.371 68.529 68.868 0.054 0.000 0.975 1247 T HN 0.612 nan 8.240 nan 0.000 0.518 1248 D N 1.480 121.946 120.400 0.109 0.000 2.472 1248 D HA 0.059 4.461 4.640 -0.398 0.000 0.237 1248 D C -1.478 174.911 176.300 0.147 0.000 1.141 1248 D CA -1.377 52.704 54.000 0.136 0.000 0.875 1248 D CB 1.341 42.248 40.800 0.179 0.000 1.192 1248 D HN 0.076 nan 8.370 nan 0.000 0.450 1249 P HA -0.030 nan 4.420 nan 0.000 0.220 1249 P C 0.721 178.113 177.300 0.154 0.000 1.148 1249 P CA 0.639 63.812 63.100 0.122 0.000 0.803 1249 P CB 0.028 31.793 31.700 0.108 0.000 0.782 1250 W N -0.052 121.272 121.300 0.041 0.000 2.418 1250 W HA -0.108 4.308 4.660 -0.408 0.000 0.292 1250 W C 1.891 178.451 176.519 0.069 0.000 1.213 1250 W CA 1.080 58.448 57.345 0.039 0.000 1.283 1250 W CB -0.563 28.908 29.460 0.018 0.000 1.119 1250 W HN -0.337 nan 8.180 nan 0.000 0.542 1251 V N 0.248 120.364 119.914 0.336 0.000 2.667 1251 V HA -0.212 3.670 4.120 -0.398 0.000 0.252 1251 V C 2.002 178.131 176.094 0.058 0.000 1.065 1251 V CA 2.261 64.715 62.300 0.257 0.000 1.083 1251 V CB -1.149 30.859 31.823 0.308 0.000 0.692 1251 V HN 0.400 nan 8.190 nan 0.000 0.468 1252 T N -2.005 112.571 114.554 0.038 0.000 3.092 1252 T HA 0.161 4.272 4.350 -0.398 0.000 0.258 1252 T C 0.734 175.416 174.700 -0.031 0.000 1.031 1252 T CA -0.346 61.761 62.100 0.011 0.000 0.925 1252 T CB -0.136 68.754 68.868 0.036 0.000 1.036 1252 T HN 0.666 nan 8.240 nan 0.000 0.544 1253 Q N 1.658 121.399 119.800 -0.100 0.000 2.474 1253 Q HA 0.298 4.399 4.340 -0.398 0.000 0.256 1253 Q C -2.618 173.324 176.000 -0.098 0.000 1.048 1253 Q CA -1.607 54.124 55.803 -0.120 0.000 0.922 1253 Q CB -0.412 28.188 28.738 -0.229 0.000 1.288 1253 Q HN 0.095 nan 8.270 nan 0.000 0.484 1254 P HA 0.104 nan 4.420 nan 0.000 0.271 1254 P C -1.329 175.937 177.300 -0.058 0.000 1.220 1254 P CA -0.297 62.773 63.100 -0.049 0.000 0.768 1254 P CB 1.091 32.770 31.700 -0.035 0.000 0.848 1255 V N 4.011 123.897 119.914 -0.046 0.000 2.569 1255 V HA 0.367 4.248 4.120 -0.398 0.000 0.301 1255 V C -0.961 175.113 176.094 -0.033 0.000 1.044 1255 V CA -0.757 61.522 62.300 -0.034 0.000 0.874 1255 V CB 1.599 33.383 31.823 -0.064 0.000 1.002 1255 V HN 0.469 nan 8.190 nan 0.000 0.424 1256 N N 5.866 124.565 118.700 -0.000 0.000 2.462 1256 N HA 0.299 4.801 4.740 -0.398 0.000 0.242 1256 N C 0.796 176.303 175.510 -0.006 0.000 1.010 1256 N CA -0.209 52.818 53.050 -0.038 0.000 0.939 1256 N CB 1.574 40.015 38.487 -0.077 0.000 1.127 1256 N HN 0.801 nan 8.380 nan 0.000 0.509 1257 L N 2.561 123.760 121.223 -0.040 0.000 2.217 1257 L HA -0.051 4.050 4.340 -0.398 0.000 0.211 1257 L C 2.127 179.027 176.870 0.051 0.000 1.107 1257 L CA 0.749 55.589 54.840 -0.000 0.000 0.783 1257 L CB -0.082 41.887 42.059 -0.150 0.000 0.919 1257 L HN 0.554 nan 8.230 nan 0.000 0.442 1258 A N -1.001 121.808 122.820 -0.019 0.000 2.209 1258 A HA -0.149 3.932 4.320 -0.398 0.000 0.212 1258 A C 1.559 179.087 177.584 -0.094 0.000 1.158 1258 A CA 1.106 53.129 52.037 -0.025 0.000 0.742 1258 A CB -0.314 18.666 19.000 -0.032 0.000 0.790 1258 A HN 0.276 nan 8.150 nan 0.000 0.472 1259 D N -1.614 118.644 120.400 -0.236 0.000 2.347 1259 D HA 0.099 4.501 4.640 -0.398 0.000 0.213 1259 D C -0.582 175.334 176.300 -0.639 0.000 0.985 1259 D CA 0.798 54.495 54.000 -0.506 0.000 0.879 1259 D CB 0.034 40.362 40.800 -0.787 0.000 0.919 1259 D HN 0.529 nan 8.370 nan 0.000 0.526 1260 Y N -0.548 119.750 120.300 -0.004 0.000 2.409 1260 Y HA 0.449 4.764 4.550 -0.392 0.000 0.343 1260 Y C 0.257 176.293 175.900 0.226 0.000 0.973 1260 Y CA -0.898 57.227 58.100 0.041 0.000 1.064 1260 Y CB 1.964 40.333 38.460 -0.151 0.000 1.207 1260 Y HN -0.429 nan 8.280 nan 0.000 0.452 1261 T N 2.660 117.462 114.554 0.414 0.000 2.824 1261 T HA 0.030 4.141 4.350 -0.398 0.000 0.282 1261 T C 0.318 175.315 174.700 0.496 0.000 0.993 1261 T CA -0.742 61.590 62.100 0.387 0.000 0.967 1261 T CB 1.149 70.148 68.868 0.219 0.000 0.960 1261 T HN 0.887 nan 8.240 nan 0.000 0.441 1262 W N 2.890 124.348 121.300 0.263 0.000 2.317 1262 W HA -0.248 4.167 4.660 -0.407 0.000 0.318 1262 W C 1.999 178.654 176.519 0.227 0.000 1.227 1262 W CA 2.579 60.011 57.345 0.145 0.000 1.269 1262 W CB -0.396 29.021 29.460 -0.072 0.000 1.155 1262 W HN 0.956 nan 8.180 nan 0.000 0.484 1263 E N 0.771 121.135 120.200 0.273 0.000 2.209 1263 E HA -0.269 3.843 4.350 -0.398 0.000 0.196 1263 E C 1.655 178.281 176.600 0.043 0.000 0.993 1263 E CA 1.972 58.458 56.400 0.144 0.000 0.819 1263 E CB -0.889 28.910 29.700 0.164 0.000 0.745 1263 E HN 0.679 nan 8.360 nan 0.000 0.477 1264 E N -0.656 119.594 120.200 0.083 0.000 2.190 1264 E HA 0.028 4.140 4.350 -0.398 0.000 0.191 1264 E C 2.247 178.866 176.600 0.033 0.000 0.978 1264 E CA 0.790 57.223 56.400 0.055 0.000 0.839 1264 E CB 0.438 30.191 29.700 0.089 0.000 0.787 1264 E HN 0.424 nan 8.360 nan 0.000 0.473 1265 V N 0.639 120.600 119.914 0.079 0.000 2.331 1265 V HA -0.047 3.835 4.120 -0.398 0.000 0.242 1265 V C 0.597 176.654 176.094 -0.062 0.000 1.034 1265 V CA 0.850 63.198 62.300 0.080 0.000 1.027 1265 V CB -0.026 31.986 31.823 0.316 0.000 0.667 1265 V HN 0.104 nan 8.190 nan 0.000 0.457 1266 F N 1.736 121.417 119.950 -0.449 0.000 2.411 1266 F HA 0.646 4.939 4.527 -0.390 0.000 0.352 1266 F C 0.343 175.926 175.800 -0.362 0.000 1.123 1266 F CA -0.844 56.820 58.000 -0.561 0.000 1.044 1266 F CB 0.547 38.952 39.000 -0.991 0.000 1.135 1266 F HN -0.090 nan 8.300 nan 0.000 0.461 1267 R N 0.000 120.066 120.500 -0.724 0.000 2.786 1267 R HA 0.000 4.101 4.340 -0.398 0.000 0.208 1267 R CA 0.000 55.836 56.100 -0.440 0.000 0.921 1267 R CB 0.000 30.143 30.300 -0.261 0.000 0.687 1267 R HN 0.000 nan 8.270 nan 0.000 0.535