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 1x15_1_B DATA FIRST_RESID 1000 DATA SEQUENCE HGRIGIPRER LTNETRVAAT PKTVEQLLKL GFTVAVESGA GQLASFDDKA DATA SEQUENCE FVQAGAEIVE GNSVWQSEII LKVNAPLDDE IALLNPGTTL VSFIWPAQNP DATA SEQUENCE ELMQKLAERN VTVMAMDSVP RISRAQSLDA LSSMANIAGY RAIVEAAHEF DATA SEQUENCE GRFFTGQITA AGKVPPAKVM VIGAGVAGLA AIGAANSLGA IVRAFDTRPE DATA SEQUENCE VKEQVQSMGA EFLELDXXXX XXXXXXXXXX XSDAFIKAEM ELFAAQAKEV DATA SEQUENCE DIIVTTALIP GKPAPKLITR EMVDSMKAGS VIVDLAAQNG GNCEYTVPGE DATA SEQUENCE IFTTENGVKV IGYTDLPGRL PTQSSQLYGT NLVNLLKLLC KEKDGNITVD DATA SEQUENCE FDDVVIRGVT VIRAGEITWP APPIQ 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 1000 H HA 0.000 nan 4.556 nan 0.000 0.296 1000 H C 0.000 175.360 175.328 0.053 0.000 0.993 1000 H CA 0.000 56.069 56.048 0.036 0.000 1.023 1000 H CB 0.000 29.773 29.762 0.018 0.000 1.292 1001 G N 2.744 111.666 108.800 0.203 0.000 2.155 1001 G HA2 -0.304 3.653 3.960 -0.006 0.000 0.257 1001 G HA3 -0.304 3.653 3.960 -0.006 0.000 0.257 1001 G C 0.409 175.484 174.900 0.292 0.000 0.983 1001 G CA 0.692 45.946 45.100 0.258 0.000 0.676 1001 G HN 0.578 nan 8.290 nan 0.000 0.528 1002 R N -0.098 120.489 120.500 0.145 0.000 2.297 1002 R HA 0.666 5.003 4.340 -0.006 0.000 0.308 1002 R C 0.048 176.345 176.300 -0.004 0.000 1.029 1002 R CA -0.722 55.420 56.100 0.071 0.000 0.929 1002 R CB 0.353 30.666 30.300 0.022 0.000 1.046 1002 R HN 0.230 nan 8.270 nan 0.000 0.461 1003 I N 3.024 123.555 120.570 -0.064 0.000 2.354 1003 I HA 0.333 4.500 4.170 -0.006 0.000 0.292 1003 I C 0.588 176.603 176.117 -0.169 0.000 0.989 1003 I CA -0.517 60.680 61.300 -0.173 0.000 1.188 1003 I CB 2.054 39.893 38.000 -0.269 0.000 1.342 1003 I HN 0.693 nan 8.210 nan 0.000 0.457 1004 G N 6.970 115.643 108.800 -0.212 0.000 2.379 1004 G HA2 0.626 4.583 3.960 -0.006 0.000 0.327 1004 G HA3 0.626 4.583 3.960 -0.006 0.000 0.327 1004 G C -0.608 174.104 174.900 -0.314 0.000 1.145 1004 G CA -0.330 44.610 45.100 -0.267 0.000 0.905 1004 G HN 0.359 nan 8.290 nan 0.000 0.466 1005 I N 3.434 123.817 120.570 -0.313 0.000 2.460 1005 I HA 0.278 4.444 4.170 -0.006 0.000 0.277 1005 I C -2.331 173.594 176.117 -0.320 0.000 1.057 1005 I CA -2.995 58.126 61.300 -0.299 0.000 1.179 1005 I CB 0.987 38.808 38.000 -0.298 0.000 1.329 1005 I HN 0.182 nan 8.210 nan 0.000 0.478 1006 P HA 0.244 nan 4.420 nan 0.000 0.274 1006 P C -0.031 177.182 177.300 -0.145 0.000 1.237 1006 P CA -0.594 62.324 63.100 -0.303 0.000 0.793 1006 P CB 0.851 32.299 31.700 -0.421 0.000 0.977 1007 R N 1.735 122.189 120.500 -0.078 0.000 2.491 1007 R HA 0.088 4.425 4.340 -0.006 0.000 0.283 1007 R C 0.122 176.438 176.300 0.026 0.000 1.072 1007 R CA -0.212 55.878 56.100 -0.017 0.000 1.048 1007 R CB 0.276 30.577 30.300 0.002 0.000 0.983 1007 R HN 0.424 nan 8.270 nan 0.000 0.450 1008 E N 3.329 123.552 120.200 0.038 0.000 2.373 1008 E HA 0.032 4.379 4.350 -0.006 0.000 0.267 1008 E C 0.378 177.014 176.600 0.060 0.000 1.032 1008 E CA -0.034 56.401 56.400 0.057 0.000 0.889 1008 E CB 1.085 30.817 29.700 0.053 0.000 0.984 1008 E HN 0.540 nan 8.360 nan 0.000 0.425 1009 R N 1.106 121.649 120.500 0.071 0.000 2.279 1009 R HA 0.145 4.482 4.340 -0.006 0.000 0.195 1009 R C 0.385 176.712 176.300 0.046 0.000 0.905 1009 R CA -0.455 55.683 56.100 0.063 0.000 1.044 1009 R CB 0.058 30.406 30.300 0.080 0.000 1.056 1009 R HN 0.297 nan 8.270 nan 0.000 0.535 1010 L N 2.190 123.440 121.223 0.045 0.000 2.485 1010 L HA -0.000 4.336 4.340 -0.006 0.000 0.275 1010 L C 0.091 176.972 176.870 0.020 0.000 1.207 1010 L CA 0.962 55.821 54.840 0.031 0.000 0.855 1010 L CB 0.667 42.745 42.059 0.031 0.000 1.114 1010 L HN 0.029 nan 8.230 nan 0.000 0.485 1011 T N 5.637 120.198 114.554 0.012 0.000 2.867 1011 T HA 0.037 4.384 4.350 -0.006 0.000 0.297 1011 T C 0.830 175.530 174.700 -0.001 0.000 0.989 1011 T CA 0.213 62.317 62.100 0.006 0.000 1.159 1011 T CB -0.146 68.724 68.868 0.002 0.000 0.928 1011 T HN 0.734 nan 8.240 nan 0.000 0.538 1012 N N 0.029 118.728 118.700 -0.002 0.000 2.878 1012 N HA -0.151 4.585 4.740 -0.006 0.000 0.247 1012 N C -0.108 175.395 175.510 -0.011 0.000 1.021 1012 N CA 0.863 53.906 53.050 -0.012 0.000 0.873 1012 N CB -0.692 37.782 38.487 -0.022 0.000 1.128 1012 N HN 0.762 nan 8.380 nan 0.000 0.571 1013 E N 1.404 121.604 120.200 0.000 0.000 2.299 1013 E HA 0.220 4.566 4.350 -0.006 0.000 0.272 1013 E C 1.248 177.855 176.600 0.012 0.000 1.043 1013 E CA 0.528 56.931 56.400 0.005 0.000 0.895 1013 E CB 0.605 30.316 29.700 0.017 0.000 1.011 1013 E HN 0.300 nan 8.360 nan 0.000 0.432 1014 T N 1.259 115.819 114.554 0.009 0.000 3.040 1014 T HA 0.272 4.619 4.350 -0.006 0.000 0.250 1014 T C 0.625 175.352 174.700 0.045 0.000 1.058 1014 T CA -0.231 61.878 62.100 0.016 0.000 0.988 1014 T CB 0.139 69.005 68.868 -0.004 0.000 0.993 1014 T HN 0.247 nan 8.240 nan 0.000 0.519 1015 R N 0.346 120.876 120.500 0.051 0.000 2.543 1015 R HA 0.757 5.093 4.340 -0.006 0.000 0.268 1015 R C -1.074 175.296 176.300 0.116 0.000 1.067 1015 R CA -0.702 55.451 56.100 0.089 0.000 1.142 1015 R CB 1.517 31.855 30.300 0.063 0.000 1.110 1015 R HN 0.131 nan 8.270 nan 0.000 0.549 1016 V N 0.221 120.243 119.914 0.179 0.000 2.876 1016 V HA 0.477 4.594 4.120 -0.006 0.000 0.312 1016 V C -0.101 176.124 176.094 0.219 0.000 1.085 1016 V CA -0.388 62.021 62.300 0.181 0.000 0.945 1016 V CB 2.027 33.997 31.823 0.245 0.000 1.017 1016 V HN 0.917 nan 8.190 nan 0.000 0.428 1017 A N 4.321 127.246 122.820 0.176 0.000 2.251 1017 A HA 0.829 5.145 4.320 -0.006 0.000 0.209 1017 A C 0.670 178.303 177.584 0.082 0.000 1.187 1017 A CA 0.761 52.935 52.037 0.230 0.000 0.823 1017 A CB -0.398 18.712 19.000 0.184 0.000 0.846 1017 A HN 1.693 nan 8.150 nan 0.000 0.486 1018 A N -1.104 121.767 122.820 0.084 0.000 2.594 1018 A HA 0.685 5.002 4.320 -0.006 0.000 0.295 1018 A C -0.173 177.476 177.584 0.110 0.000 1.071 1018 A CA 0.144 52.212 52.037 0.052 0.000 0.685 1018 A CB 0.606 19.616 19.000 0.016 0.000 1.285 1018 A HN 0.705 nan 8.150 nan 0.000 0.405 1019 T N -1.428 113.067 114.554 -0.098 0.000 2.910 1019 T HA 0.718 5.064 4.350 -0.006 0.000 0.287 1019 T C -2.337 172.085 174.700 -0.464 0.000 1.050 1019 T CA -1.869 59.871 62.100 -0.601 0.000 1.011 1019 T CB 1.561 69.907 68.868 -0.871 0.000 1.195 1019 T HN 0.165 nan 8.240 nan 0.000 0.540 1020 P HA -0.062 nan 4.420 nan 0.000 0.216 1020 P C 1.391 178.553 177.300 -0.230 0.000 1.153 1020 P CA 1.212 64.044 63.100 -0.447 0.000 0.858 1020 P CB 0.064 31.484 31.700 -0.467 0.000 0.789 1021 K N -0.751 119.507 120.400 -0.237 0.000 2.032 1021 K HA -0.140 4.176 4.320 -0.006 0.000 0.209 1021 K C 2.154 178.697 176.600 -0.096 0.000 1.048 1021 K CA 2.275 58.484 56.287 -0.130 0.000 0.927 1021 K CB -0.967 31.472 32.500 -0.103 0.000 0.712 1021 K HN 0.253 nan 8.250 nan 0.000 0.441 1022 T N -1.882 112.606 114.554 -0.110 0.000 2.915 1022 T HA -0.068 4.279 4.350 -0.006 0.000 0.269 1022 T C 1.902 176.576 174.700 -0.044 0.000 1.071 1022 T CA 1.097 63.154 62.100 -0.071 0.000 1.132 1022 T CB -0.419 68.402 68.868 -0.079 0.000 0.878 1022 T HN -0.062 nan 8.240 nan 0.000 0.479 1023 V N 1.722 121.619 119.914 -0.028 0.000 2.295 1023 V HA -0.176 3.941 4.120 -0.006 0.000 0.246 1023 V C 2.796 178.894 176.094 0.007 0.000 1.049 1023 V CA 2.205 64.512 62.300 0.011 0.000 1.024 1023 V CB -0.764 31.106 31.823 0.078 0.000 0.648 1023 V HN 0.562 nan 8.190 nan 0.000 0.447 1024 E N -0.364 119.829 120.200 -0.012 0.000 2.086 1024 E HA -0.324 4.023 4.350 -0.006 0.000 0.200 1024 E C 2.335 178.937 176.600 0.004 0.000 1.012 1024 E CA 1.909 58.305 56.400 -0.007 0.000 0.812 1024 E CB -0.174 29.513 29.700 -0.022 0.000 0.743 1024 E HN 0.685 nan 8.360 nan 0.000 0.453 1025 Q N 0.018 119.816 119.800 -0.003 0.000 2.119 1025 Q HA -0.105 4.231 4.340 -0.006 0.000 0.201 1025 Q C 2.342 178.366 176.000 0.040 0.000 0.972 1025 Q CA 0.837 56.644 55.803 0.008 0.000 0.847 1025 Q CB -0.028 28.705 28.738 -0.008 0.000 0.903 1025 Q HN 0.321 nan 8.270 nan 0.000 0.433 1026 L N 0.385 121.634 121.223 0.043 0.000 2.093 1026 L HA -0.172 4.165 4.340 -0.006 0.000 0.208 1026 L C 2.211 179.190 176.870 0.181 0.000 1.085 1026 L CA 0.808 55.713 54.840 0.109 0.000 0.755 1026 L CB -0.365 41.705 42.059 0.019 0.000 0.904 1026 L HN 0.282 nan 8.230 nan 0.000 0.435 1027 L N -0.422 120.859 121.223 0.097 0.000 2.093 1027 L HA -0.197 4.140 4.340 -0.006 0.000 0.208 1027 L C 2.415 179.313 176.870 0.046 0.000 1.085 1027 L CA 1.251 56.138 54.840 0.077 0.000 0.755 1027 L CB -0.534 41.551 42.059 0.043 0.000 0.904 1027 L HN 0.224 nan 8.230 nan 0.000 0.435 1028 K N 0.347 120.770 120.400 0.038 0.000 2.280 1028 K HA -0.083 4.233 4.320 -0.006 0.000 0.202 1028 K C 1.725 178.329 176.600 0.006 0.000 1.047 1028 K CA 0.837 57.132 56.287 0.015 0.000 0.942 1028 K CB 0.020 32.528 32.500 0.012 0.000 0.739 1028 K HN 0.286 nan 8.250 nan 0.000 0.457 1029 L N -0.856 120.392 121.223 0.041 0.000 2.611 1029 L HA 0.161 4.498 4.340 -0.006 0.000 0.229 1029 L C 0.961 177.696 176.870 -0.226 0.000 1.137 1029 L CA 0.279 55.114 54.840 -0.008 0.000 0.901 1029 L CB 0.233 42.399 42.059 0.177 0.000 1.098 1029 L HN 0.394 nan 8.230 nan 0.000 0.456 1030 G N -0.358 108.342 108.800 -0.167 0.000 2.157 1030 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.239 1030 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.239 1030 G C 0.043 174.757 174.900 -0.309 0.000 0.982 1030 G CA -0.420 44.533 45.100 -0.246 0.000 0.650 1030 G HN 0.167 nan 8.290 nan 0.000 0.527 1031 F N 1.459 121.400 119.950 -0.015 0.000 2.378 1031 F HA 0.673 5.197 4.527 -0.006 0.000 0.325 1031 F C 1.276 177.067 175.800 -0.016 0.000 1.097 1031 F CA 0.197 58.187 58.000 -0.016 0.000 1.079 1031 F CB 1.273 40.258 39.000 -0.026 0.000 1.240 1031 F HN 0.174 nan 8.300 nan 0.000 0.519 1032 T N -1.396 113.275 114.554 0.194 0.000 2.948 1032 T HA 0.820 5.167 4.350 -0.006 0.000 0.285 1032 T C -0.954 173.787 174.700 0.068 0.000 1.019 1032 T CA -0.794 61.365 62.100 0.100 0.000 1.013 1032 T CB 1.632 70.536 68.868 0.060 0.000 1.117 1032 T HN 0.358 nan 8.240 nan 0.000 0.533 1033 V N 0.655 120.580 119.914 0.020 0.000 2.623 1033 V HA 0.734 4.851 4.120 -0.006 0.000 0.304 1033 V C -0.219 175.841 176.094 -0.056 0.000 1.054 1033 V CA -1.073 61.209 62.300 -0.031 0.000 0.882 1033 V CB 1.377 33.183 31.823 -0.029 0.000 1.002 1033 V HN 1.347 nan 8.190 nan 0.000 0.424 1034 A N 4.540 127.301 122.820 -0.098 0.000 2.287 1034 A HA 0.867 5.184 4.320 -0.006 0.000 0.317 1034 A C -0.785 176.683 177.584 -0.194 0.000 1.220 1034 A CA -0.539 51.427 52.037 -0.118 0.000 0.835 1034 A CB 1.388 20.326 19.000 -0.103 0.000 1.180 1034 A HN 0.711 nan 8.150 nan 0.000 0.500 1035 V N 2.804 122.578 119.914 -0.233 0.000 2.398 1035 V HA 0.258 4.374 4.120 -0.006 0.000 0.286 1035 V C 0.505 176.442 176.094 -0.262 0.000 1.026 1035 V CA -0.664 61.420 62.300 -0.360 0.000 0.868 1035 V CB 1.420 32.835 31.823 -0.679 0.000 0.982 1035 V HN 1.018 nan 8.190 nan 0.000 0.443 1036 E N 2.943 123.000 120.200 -0.239 0.000 2.415 1036 E HA 0.051 4.398 4.350 -0.006 0.000 0.263 1036 E C 0.351 176.875 176.600 -0.127 0.000 0.995 1036 E CA -0.054 56.254 56.400 -0.152 0.000 0.915 1036 E CB 0.626 30.248 29.700 -0.130 0.000 0.951 1036 E HN 0.721 nan 8.360 nan 0.000 0.449 1037 S N 2.800 118.461 115.700 -0.066 0.000 2.573 1037 S HA 0.149 4.615 4.470 -0.006 0.000 0.297 1037 S C 1.080 175.677 174.600 -0.005 0.000 1.280 1037 S CA 1.087 59.272 58.200 -0.025 0.000 1.061 1037 S CB 0.052 63.252 63.200 -0.001 0.000 0.812 1037 S HN 0.887 nan 8.310 nan 0.000 0.500 1038 G N 3.140 111.957 108.800 0.029 0.000 2.184 1038 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.264 1038 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.264 1038 G C 1.027 175.961 174.900 0.056 0.000 0.975 1038 G CA 0.608 45.738 45.100 0.051 0.000 0.642 1038 G HN 1.325 nan 8.290 nan 0.000 0.536 1039 A N 0.078 122.903 122.820 0.009 0.000 1.933 1039 A HA 0.333 4.649 4.320 -0.006 0.000 0.218 1039 A C 2.549 180.202 177.584 0.115 0.000 1.175 1039 A CA 2.285 54.320 52.037 -0.003 0.000 0.628 1039 A CB -0.594 18.320 19.000 -0.143 0.000 0.814 1039 A HN 1.616 nan 8.150 nan 0.000 0.444 1040 G N -1.994 106.966 108.800 0.268 0.000 3.088 1040 G HA2 0.197 4.154 3.960 -0.006 0.000 0.217 1040 G HA3 0.197 4.154 3.960 -0.006 0.000 0.217 1040 G C 1.230 176.299 174.900 0.282 0.000 1.159 1040 G CA 0.633 46.008 45.100 0.459 0.000 0.760 1040 G HN 0.469 nan 8.290 nan 0.000 0.550 1041 Q N 0.293 120.199 119.800 0.177 0.000 2.030 1041 Q HA 0.004 4.341 4.340 -0.006 0.000 0.204 1041 Q C 2.321 178.343 176.000 0.037 0.000 0.986 1041 Q CA 1.314 57.174 55.803 0.096 0.000 0.843 1041 Q CB -0.297 28.483 28.738 0.070 0.000 0.904 1041 Q HN 0.493 nan 8.270 nan 0.000 0.420 1042 L N -0.721 120.525 121.223 0.038 0.000 2.465 1042 L HA 0.002 4.339 4.340 -0.006 0.000 0.224 1042 L C 1.587 178.443 176.870 -0.025 0.000 1.145 1042 L CA 0.593 55.435 54.840 0.004 0.000 0.834 1042 L CB -0.228 41.838 42.059 0.012 0.000 0.944 1042 L HN 0.177 nan 8.230 nan 0.000 0.451 1043 A N -1.665 121.144 122.820 -0.018 0.000 2.348 1043 A HA 0.192 4.508 4.320 -0.006 0.000 0.224 1043 A C 1.235 178.557 177.584 -0.437 0.000 1.227 1043 A CA 0.287 52.257 52.037 -0.112 0.000 0.885 1043 A CB 0.140 19.192 19.000 0.087 0.000 0.933 1043 A HN 0.246 nan 8.150 nan 0.000 0.506 1044 S N -1.581 113.936 115.700 -0.305 0.000 3.672 1044 S HA -0.152 4.314 4.470 -0.006 0.000 0.319 1044 S C -0.584 173.722 174.600 -0.490 0.000 1.151 1044 S CA 0.851 58.835 58.200 -0.361 0.000 0.911 1044 S CB -2.179 60.796 63.200 -0.374 0.000 0.939 1044 S HN 0.538 nan 8.310 nan 0.000 0.524 1045 F N 1.948 121.894 119.950 -0.007 0.000 2.366 1045 F HA 0.412 4.937 4.527 -0.004 0.000 0.366 1045 F C 0.540 176.362 175.800 0.037 0.000 1.096 1045 F CA -1.753 56.193 58.000 -0.090 0.000 1.060 1045 F CB 0.683 39.541 39.000 -0.237 0.000 1.282 1045 F HN 0.016 nan 8.300 nan 0.000 0.450 1046 D N 2.162 122.654 120.400 0.154 0.000 2.382 1046 D HA -0.043 4.594 4.640 -0.006 0.000 0.240 1046 D C 0.895 177.339 176.300 0.240 0.000 1.146 1046 D CA 0.281 54.373 54.000 0.153 0.000 0.897 1046 D CB 1.160 42.006 40.800 0.077 0.000 1.197 1046 D HN 0.494 nan 8.370 nan 0.000 0.432 1047 D N 2.365 122.909 120.400 0.240 0.000 2.133 1047 D HA -0.200 4.436 4.640 -0.006 0.000 0.192 1047 D C 1.780 178.200 176.300 0.200 0.000 1.001 1047 D CA 1.376 55.526 54.000 0.250 0.000 0.844 1047 D CB 0.108 40.988 40.800 0.133 0.000 0.944 1047 D HN 0.465 nan 8.370 nan 0.000 0.447 1048 K N 0.265 120.735 120.400 0.118 0.000 2.059 1048 K HA -0.169 4.148 4.320 -0.006 0.000 0.212 1048 K C 2.114 178.746 176.600 0.053 0.000 1.050 1048 K CA 1.496 57.827 56.287 0.073 0.000 0.927 1048 K CB -0.203 32.325 32.500 0.046 0.000 0.714 1048 K HN 0.107 nan 8.250 nan 0.000 0.447 1049 A N 0.524 123.354 122.820 0.017 0.000 1.969 1049 A HA -0.095 4.222 4.320 -0.006 0.000 0.218 1049 A C 1.891 179.399 177.584 -0.127 0.000 1.169 1049 A CA 1.055 53.043 52.037 -0.081 0.000 0.635 1049 A CB -0.533 18.386 19.000 -0.135 0.000 0.810 1049 A HN 0.167 nan 8.150 nan 0.000 0.445 1050 F N -0.135 119.817 119.950 0.003 0.000 2.146 1050 F HA -0.124 4.399 4.527 -0.006 0.000 0.298 1050 F C 2.445 178.232 175.800 -0.021 0.000 1.096 1050 F CA 1.497 59.480 58.000 -0.029 0.000 1.275 1050 F CB -0.630 38.353 39.000 -0.028 0.000 1.008 1050 F HN 0.023 nan 8.300 nan 0.000 0.480 1051 V N -0.214 119.803 119.914 0.172 0.000 2.343 1051 V HA -0.302 3.815 4.120 -0.006 0.000 0.247 1051 V C 2.240 178.367 176.094 0.055 0.000 1.051 1051 V CA 1.838 64.195 62.300 0.094 0.000 1.036 1051 V CB -0.843 31.024 31.823 0.073 0.000 0.654 1051 V HN 0.366 nan 8.190 nan 0.000 0.451 1052 Q N 0.002 119.823 119.800 0.036 0.000 2.135 1052 Q HA -0.198 4.139 4.340 -0.006 0.000 0.204 1052 Q C 2.342 178.344 176.000 0.004 0.000 0.981 1052 Q CA 1.751 57.562 55.803 0.012 0.000 0.856 1052 Q CB -0.419 28.318 28.738 -0.002 0.000 0.902 1052 Q HN 0.681 nan 8.270 nan 0.000 0.425 1053 A N -0.012 122.808 122.820 -0.000 0.000 2.121 1053 A HA 0.096 4.413 4.320 -0.006 0.000 0.218 1053 A C 1.592 179.188 177.584 0.022 0.000 1.154 1053 A CA 1.272 53.307 52.037 -0.003 0.000 0.679 1053 A CB -0.277 18.709 19.000 -0.022 0.000 0.795 1053 A HN 0.525 nan 8.150 nan 0.000 0.458 1054 G N -2.906 105.916 108.800 0.036 0.000 2.168 1054 G HA2 0.211 4.168 3.960 -0.006 0.000 0.197 1054 G HA3 0.211 4.168 3.960 -0.006 0.000 0.197 1054 G C 0.304 175.229 174.900 0.041 0.000 0.997 1054 G CA 0.145 45.265 45.100 0.033 0.000 0.658 1054 G HN 1.447 nan 8.290 nan 0.000 0.513 1055 A N -0.064 122.794 122.820 0.063 0.000 2.304 1055 A HA 0.699 5.016 4.320 -0.006 0.000 0.271 1055 A C 0.373 177.977 177.584 0.032 0.000 1.091 1055 A CA 0.403 52.468 52.037 0.048 0.000 0.812 1055 A CB 0.645 19.692 19.000 0.078 0.000 1.056 1055 A HN 0.592 nan 8.150 nan 0.000 0.489 1056 E N 1.215 121.416 120.200 0.002 0.000 2.216 1056 E HA 0.400 4.746 4.350 -0.006 0.000 0.279 1056 E C -0.925 175.658 176.600 -0.028 0.000 0.997 1056 E CA -0.658 55.740 56.400 -0.005 0.000 0.817 1056 E CB 0.593 30.287 29.700 -0.010 0.000 1.096 1056 E HN 0.471 nan 8.360 nan 0.000 0.393 1057 I N 5.607 126.168 120.570 -0.015 0.000 2.342 1057 I HA 0.146 4.313 4.170 -0.006 0.000 0.291 1057 I C 0.279 176.377 176.117 -0.031 0.000 1.010 1057 I CA -0.383 60.899 61.300 -0.031 0.000 1.308 1057 I CB 0.629 38.630 38.000 0.002 0.000 1.400 1057 I HN 0.352 nan 8.210 nan 0.000 0.488 1058 V N 4.337 124.221 119.914 -0.050 0.000 2.960 1058 V HA 0.635 4.751 4.120 -0.006 0.000 0.315 1058 V C 0.458 176.537 176.094 -0.026 0.000 1.087 1058 V CA -0.637 61.643 62.300 -0.035 0.000 0.982 1058 V CB 2.618 34.415 31.823 -0.044 0.000 1.039 1058 V HN 0.625 nan 8.190 nan 0.000 0.437 1059 E N 2.100 122.296 120.200 -0.006 0.000 2.094 1059 E HA 0.245 4.592 4.350 -0.006 0.000 0.193 1059 E C 1.226 177.838 176.600 0.019 0.000 0.950 1059 E CA 1.264 57.668 56.400 0.006 0.000 0.842 1059 E CB -0.025 29.683 29.700 0.012 0.000 0.816 1059 E HN 0.928 nan 8.360 nan 0.000 0.465 1060 G N 1.492 110.312 108.800 0.034 0.000 3.022 1060 G HA2 -0.008 3.948 3.960 -0.006 0.000 0.157 1060 G HA3 -0.008 3.948 3.960 -0.006 0.000 0.157 1060 G C 0.451 175.421 174.900 0.118 0.000 1.468 1060 G CA 0.031 45.168 45.100 0.062 0.000 1.058 1060 G HN 0.201 nan 8.290 nan 0.000 0.581 1061 N N 0.549 119.345 118.700 0.160 0.000 2.567 1061 N HA 0.030 4.767 4.740 -0.006 0.000 0.195 1061 N C 1.674 177.329 175.510 0.241 0.000 1.242 1061 N CA 0.723 53.962 53.050 0.315 0.000 0.884 1061 N CB 0.405 39.025 38.487 0.222 0.000 1.007 1061 N HN 0.175 nan 8.380 nan 0.000 0.450 1062 S N 0.105 115.874 115.700 0.115 0.000 2.392 1062 S HA -0.181 4.286 4.470 -0.006 0.000 0.232 1062 S C 1.886 176.501 174.600 0.025 0.000 1.041 1062 S CA 1.023 59.259 58.200 0.061 0.000 1.026 1062 S CB -0.440 62.774 63.200 0.022 0.000 0.845 1062 S HN 0.402 nan 8.310 nan 0.000 0.465 1063 V N 0.060 119.952 119.914 -0.036 0.000 2.594 1063 V HA -0.120 3.997 4.120 -0.006 0.000 0.253 1063 V C 1.372 177.307 176.094 -0.265 0.000 1.069 1063 V CA 1.403 63.579 62.300 -0.206 0.000 1.082 1063 V CB -0.526 31.095 31.823 -0.336 0.000 0.680 1063 V HN 0.717 nan 8.190 nan 0.000 0.469 1064 W N -0.714 120.565 121.300 -0.035 0.000 2.800 1064 W HA 0.083 4.739 4.660 -0.006 0.000 0.249 1064 W C 1.477 177.975 176.519 -0.036 0.000 1.294 1064 W CA -0.050 57.275 57.345 -0.034 0.000 1.402 1064 W CB 0.027 29.471 29.460 -0.027 0.000 1.126 1064 W HN 0.188 nan 8.180 nan 0.000 0.652 1065 Q N 0.811 120.685 119.800 0.123 0.000 2.938 1065 Q HA 0.182 4.519 4.340 -0.006 0.000 0.343 1065 Q C -0.252 175.751 176.000 0.004 0.000 1.185 1065 Q CA 0.369 56.208 55.803 0.060 0.000 0.939 1065 Q CB 0.021 28.786 28.738 0.045 0.000 1.480 1065 Q HN -0.016 nan 8.270 nan 0.000 0.442 1066 S N -0.194 115.500 115.700 -0.010 0.000 2.568 1066 S HA 0.207 4.673 4.470 -0.006 0.000 0.293 1066 S C 0.942 175.516 174.600 -0.043 0.000 1.089 1066 S CA -0.798 57.374 58.200 -0.046 0.000 0.945 1066 S CB 2.334 65.479 63.200 -0.092 0.000 1.077 1066 S HN 0.420 nan 8.310 nan 0.000 0.485 1067 E N 0.860 121.027 120.200 -0.054 0.000 2.204 1067 E HA -0.005 4.342 4.350 -0.006 0.000 0.194 1067 E C -0.347 176.232 176.600 -0.036 0.000 0.989 1067 E CA 1.011 57.380 56.400 -0.050 0.000 0.824 1067 E CB 0.168 29.846 29.700 -0.036 0.000 0.756 1067 E HN 0.567 nan 8.360 nan 0.000 0.477 1068 I N 1.392 121.922 120.570 -0.067 0.000 2.582 1068 I HA 0.292 4.458 4.170 -0.006 0.000 0.292 1068 I C -0.733 175.297 176.117 -0.145 0.000 1.066 1068 I CA -0.898 60.336 61.300 -0.109 0.000 1.053 1068 I CB 2.203 40.089 38.000 -0.190 0.000 1.241 1068 I HN -0.079 nan 8.210 nan 0.000 0.421 1069 I N 6.588 127.076 120.570 -0.137 0.000 2.436 1069 I HA 0.439 4.605 4.170 -0.006 0.000 0.289 1069 I C -0.559 175.457 176.117 -0.169 0.000 1.010 1069 I CA -0.470 60.714 61.300 -0.194 0.000 1.098 1069 I CB 1.758 39.647 38.000 -0.185 0.000 1.266 1069 I HN 0.365 nan 8.210 nan 0.000 0.434 1070 L N 6.499 127.606 121.223 -0.193 0.000 2.296 1070 L HA 0.567 4.903 4.340 -0.006 0.000 0.286 1070 L C 0.022 176.837 176.870 -0.091 0.000 1.023 1070 L CA -0.580 54.176 54.840 -0.141 0.000 0.812 1070 L CB 1.490 43.449 42.059 -0.167 0.000 1.223 1070 L HN 0.520 nan 8.230 nan 0.000 0.421 1071 K N 1.573 121.975 120.400 0.003 0.000 2.466 1071 K HA 0.508 4.825 4.320 -0.006 0.000 0.260 1071 K C 0.172 176.895 176.600 0.205 0.000 1.011 1071 K CA -0.896 55.433 56.287 0.070 0.000 0.871 1071 K CB 2.667 35.209 32.500 0.070 0.000 1.404 1071 K HN 0.173 nan 8.250 nan 0.000 0.450 1072 V N 0.243 120.253 119.914 0.161 0.000 2.326 1072 V HA -0.048 4.069 4.120 -0.006 0.000 0.238 1072 V C 0.569 176.783 176.094 0.201 0.000 1.038 1072 V CA 0.940 63.291 62.300 0.085 0.000 1.032 1072 V CB -0.203 31.608 31.823 -0.020 0.000 0.675 1072 V HN 0.633 nan 8.190 nan 0.000 0.467 1073 N N 0.214 119.010 118.700 0.159 0.000 2.489 1073 N HA 0.518 5.254 4.740 -0.006 0.000 0.284 1073 N C -0.138 175.473 175.510 0.168 0.000 1.158 1073 N CA 0.104 53.263 53.050 0.182 0.000 0.965 1073 N CB 1.425 39.985 38.487 0.122 0.000 1.195 1073 N HN 0.359 nan 8.380 nan 0.000 0.506 1074 A N 1.466 124.389 122.820 0.172 0.000 2.520 1074 A HA 0.239 4.556 4.320 -0.006 0.000 0.235 1074 A C -2.029 175.633 177.584 0.130 0.000 1.065 1074 A CA -0.615 51.505 52.037 0.139 0.000 0.764 1074 A CB -0.657 18.418 19.000 0.125 0.000 1.002 1074 A HN 0.421 nan 8.150 nan 0.000 0.502 1075 P HA 0.249 nan 4.420 nan 0.000 0.271 1075 P C -0.411 176.925 177.300 0.059 0.000 1.216 1075 P CA 0.096 63.279 63.100 0.137 0.000 0.776 1075 P CB 0.310 32.094 31.700 0.139 0.000 0.881 1076 L N 2.279 123.526 121.223 0.041 0.000 2.472 1076 L HA 0.087 4.424 4.340 -0.006 0.000 0.260 1076 L C 1.878 178.721 176.870 -0.045 0.000 1.209 1076 L CA -0.278 54.564 54.840 0.003 0.000 0.817 1076 L CB -0.058 42.005 42.059 0.008 0.000 1.106 1076 L HN 0.371 nan 8.230 nan 0.000 0.479 1077 D N 1.161 121.535 120.400 -0.043 0.000 2.154 1077 D HA -0.256 4.381 4.640 -0.006 0.000 0.190 1077 D C 1.469 177.708 176.300 -0.102 0.000 1.003 1077 D CA 2.430 56.393 54.000 -0.061 0.000 0.849 1077 D CB -0.119 40.655 40.800 -0.044 0.000 0.942 1077 D HN 0.827 nan 8.370 nan 0.000 0.446 1078 D N -0.020 120.318 120.400 -0.102 0.000 2.312 1078 D HA -0.099 4.538 4.640 -0.006 0.000 0.211 1078 D C 1.641 177.793 176.300 -0.247 0.000 0.964 1078 D CA 0.787 54.706 54.000 -0.136 0.000 0.877 1078 D CB -0.259 40.485 40.800 -0.093 0.000 0.924 1078 D HN 0.281 nan 8.370 nan 0.000 0.515 1079 E N 0.213 120.245 120.200 -0.281 0.000 2.076 1079 E HA -0.022 4.324 4.350 -0.006 0.000 0.190 1079 E C 2.171 178.396 176.600 -0.624 0.000 0.979 1079 E CA 0.498 56.552 56.400 -0.576 0.000 0.807 1079 E CB -0.044 29.451 29.700 -0.342 0.000 0.761 1079 E HN 0.371 nan 8.360 nan 0.000 0.454 1080 I N 1.380 121.763 120.570 -0.311 0.000 2.248 1080 I HA -0.295 3.872 4.170 -0.006 0.000 0.248 1080 I C 2.446 178.435 176.117 -0.213 0.000 1.107 1080 I CA 1.024 62.201 61.300 -0.205 0.000 1.373 1080 I CB -0.269 37.670 38.000 -0.103 0.000 1.055 1080 I HN 0.090 nan 8.210 nan 0.000 0.418 1081 A N 0.402 123.090 122.820 -0.220 0.000 2.067 1081 A HA -0.050 4.266 4.320 -0.006 0.000 0.219 1081 A C 2.163 179.625 177.584 -0.203 0.000 1.158 1081 A CA 1.047 52.981 52.037 -0.171 0.000 0.661 1081 A CB -0.542 18.375 19.000 -0.139 0.000 0.801 1081 A HN 0.440 nan 8.150 nan 0.000 0.452 1082 L N -0.616 120.399 121.223 -0.347 0.000 2.509 1082 L HA 0.159 4.495 4.340 -0.006 0.000 0.222 1082 L C 0.159 176.921 176.870 -0.179 0.000 1.123 1082 L CA -0.251 54.391 54.840 -0.330 0.000 0.856 1082 L CB -0.301 41.376 42.059 -0.638 0.000 0.985 1082 L HN 0.236 nan 8.230 nan 0.000 0.456 1083 L N 1.231 122.354 121.223 -0.166 0.000 2.462 1083 L HA 0.016 4.353 4.340 -0.006 0.000 0.272 1083 L C -0.008 176.871 176.870 0.014 0.000 1.166 1083 L CA 0.234 55.086 54.840 0.019 0.000 0.880 1083 L CB 0.131 42.210 42.059 0.033 0.000 1.142 1083 L HN 0.229 nan 8.230 nan 0.000 0.473 1084 N N 4.757 123.484 118.700 0.045 0.000 2.498 1084 N HA 0.300 5.037 4.740 -0.006 0.000 0.287 1084 N C -2.502 173.017 175.510 0.015 0.000 1.097 1084 N CA -1.467 51.595 53.050 0.020 0.000 0.973 1084 N CB 0.643 39.142 38.487 0.019 0.000 1.153 1084 N HN 0.342 nan 8.380 nan 0.000 0.472 1085 P HA -0.043 nan 4.420 nan 0.000 0.264 1085 P C 0.880 178.181 177.300 0.002 0.000 1.179 1085 P CA 1.028 64.131 63.100 0.005 0.000 0.763 1085 P CB 0.418 32.120 31.700 0.003 0.000 0.806 1086 G N 1.147 109.950 108.800 0.005 0.000 2.199 1086 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.254 1086 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.254 1086 G C 0.396 175.296 174.900 -0.000 0.000 0.982 1086 G CA 0.241 45.342 45.100 0.001 0.000 0.632 1086 G HN 0.620 nan 8.290 nan 0.000 0.529 1087 T N 1.894 116.452 114.554 0.007 0.000 2.918 1087 T HA 0.498 4.844 4.350 -0.006 0.000 0.302 1087 T C 0.409 175.118 174.700 0.015 0.000 1.045 1087 T CA 0.951 63.058 62.100 0.013 0.000 1.114 1087 T CB 1.224 70.118 68.868 0.043 0.000 0.965 1087 T HN 0.230 nan 8.240 nan 0.000 0.540 1088 T N 3.812 118.367 114.554 0.003 0.000 2.758 1088 T HA 0.469 4.816 4.350 -0.006 0.000 0.285 1088 T C -0.509 174.184 174.700 -0.012 0.000 0.981 1088 T CA -0.634 61.465 62.100 -0.003 0.000 0.965 1088 T CB 0.732 69.592 68.868 -0.013 0.000 0.927 1088 T HN 0.334 nan 8.240 nan 0.000 0.448 1089 L N 5.279 126.505 121.223 0.005 0.000 2.295 1089 L HA 0.745 5.081 4.340 -0.006 0.000 0.285 1089 L C -1.052 175.803 176.870 -0.025 0.000 1.035 1089 L CA -0.436 54.408 54.840 0.006 0.000 0.806 1089 L CB 1.180 43.272 42.059 0.055 0.000 1.214 1089 L HN 0.420 nan 8.230 nan 0.000 0.426 1090 V N 4.974 124.855 119.914 -0.055 0.000 2.407 1090 V HA 0.866 4.982 4.120 -0.006 0.000 0.291 1090 V C -0.237 175.819 176.094 -0.065 0.000 1.018 1090 V CA 0.203 62.452 62.300 -0.084 0.000 0.842 1090 V CB 1.005 32.748 31.823 -0.133 0.000 0.996 1090 V HN 1.035 nan 8.190 nan 0.000 0.426 1091 S N 4.156 119.812 115.700 -0.074 0.000 2.655 1091 S HA 0.702 5.168 4.470 -0.006 0.000 0.266 1091 S C -0.935 173.564 174.600 -0.168 0.000 1.149 1091 S CA -0.785 57.391 58.200 -0.039 0.000 0.818 1091 S CB 0.932 64.168 63.200 0.059 0.000 1.130 1091 S HN 0.211 nan 8.310 nan 0.000 0.476 1092 F N 1.290 121.247 119.950 0.012 0.000 2.572 1092 F HA 0.364 4.887 4.527 -0.006 0.000 0.370 1092 F C 1.387 177.121 175.800 -0.109 0.000 1.103 1092 F CA 0.014 57.932 58.000 -0.135 0.000 1.286 1092 F CB 0.249 39.219 39.000 -0.050 0.000 1.105 1092 F HN 0.463 nan 8.300 nan 0.000 0.583 1093 I N -0.021 120.508 120.570 -0.069 0.000 4.193 1093 I HA 0.023 4.190 4.170 -0.006 0.000 0.287 1093 I C -0.417 175.738 176.117 0.063 0.000 1.175 1093 I CA -0.050 61.238 61.300 -0.019 0.000 1.320 1093 I CB -0.597 37.346 38.000 -0.095 0.000 1.523 1093 I HN 0.764 nan 8.210 nan 0.000 0.450 1094 W N 1.824 123.118 121.300 -0.010 0.000 5.822 1094 W HA -0.144 4.512 4.660 -0.006 0.000 0.422 1094 W C -1.862 174.527 176.519 -0.217 0.000 1.673 1094 W CA -0.499 56.807 57.345 -0.066 0.000 0.989 1094 W CB -1.852 27.594 29.460 -0.024 0.000 2.899 1094 W HN 0.114 nan 8.180 nan 0.000 1.375 1095 P HA -0.247 nan 4.420 nan 0.000 0.216 1095 P C 1.675 178.585 177.300 -0.650 0.000 1.150 1095 P CA 2.920 65.608 63.100 -0.688 0.000 0.837 1095 P CB -0.068 30.726 31.700 -1.510 0.000 0.786 1096 A N -0.573 121.974 122.820 -0.454 0.000 2.019 1096 A HA -0.216 4.101 4.320 -0.006 0.000 0.219 1096 A C 2.034 179.626 177.584 0.013 0.000 1.164 1096 A CA 1.624 53.629 52.037 -0.054 0.000 0.644 1096 A CB -1.114 18.037 19.000 0.250 0.000 0.805 1096 A HN 0.209 nan 8.150 nan 0.000 0.449 1097 Q N -0.604 119.205 119.800 0.015 0.000 2.356 1097 Q HA 0.174 4.510 4.340 -0.006 0.000 0.205 1097 Q C -0.284 175.716 176.000 -0.000 0.000 0.901 1097 Q CA 0.194 56.007 55.803 0.017 0.000 0.938 1097 Q CB 0.528 29.269 28.738 0.005 0.000 1.081 1097 Q HN 0.540 nan 8.270 nan 0.000 0.517 1098 N N 0.304 118.988 118.700 -0.026 0.000 2.646 1098 N HA 0.122 4.858 4.740 -0.006 0.000 0.303 1098 N C -2.336 173.145 175.510 -0.050 0.000 1.921 1098 N CA -0.781 52.255 53.050 -0.024 0.000 0.872 1098 N CB 1.216 39.705 38.487 0.003 0.000 1.327 1098 N HN 0.076 nan 8.380 nan 0.000 0.492 1099 P HA -0.138 nan 4.420 nan 0.000 0.218 1099 P C 0.788 178.084 177.300 -0.007 0.000 1.148 1099 P CA 1.457 64.545 63.100 -0.020 0.000 0.822 1099 P CB 0.531 32.242 31.700 0.019 0.000 0.784 1100 E N 0.570 120.768 120.200 -0.003 0.000 2.051 1100 E HA -0.156 4.190 4.350 -0.006 0.000 0.192 1100 E C 2.141 178.738 176.600 -0.005 0.000 0.991 1100 E CA 0.657 57.057 56.400 -0.000 0.000 0.799 1100 E CB -1.741 27.959 29.700 0.000 0.000 0.748 1100 E HN 0.174 nan 8.360 nan 0.000 0.449 1101 L N 0.112 121.330 121.223 -0.008 0.000 2.042 1101 L HA -0.142 4.194 4.340 -0.006 0.000 0.210 1101 L C 2.085 178.947 176.870 -0.012 0.000 1.076 1101 L CA 1.792 56.627 54.840 -0.007 0.000 0.749 1101 L CB -0.361 41.699 42.059 0.000 0.000 0.893 1101 L HN 0.105 nan 8.230 nan 0.000 0.432 1102 M N -0.991 118.593 119.600 -0.027 0.000 2.106 1102 M HA -0.247 4.230 4.480 -0.006 0.000 0.259 1102 M C 2.380 178.682 176.300 0.003 0.000 1.068 1102 M CA 1.802 57.087 55.300 -0.025 0.000 1.100 1102 M CB -1.174 31.395 32.600 -0.052 0.000 1.351 1102 M HN 0.425 nan 8.290 nan 0.000 0.404 1103 Q N 0.772 120.576 119.800 0.007 0.000 2.020 1103 Q HA -0.128 4.209 4.340 -0.006 0.000 0.202 1103 Q C 1.893 177.898 176.000 0.007 0.000 0.982 1103 Q CA 1.927 57.738 55.803 0.014 0.000 0.838 1103 Q CB -0.169 28.577 28.738 0.015 0.000 0.899 1103 Q HN 0.360 nan 8.270 nan 0.000 0.423 1104 K N -0.437 119.962 120.400 -0.000 0.000 2.113 1104 K HA -0.124 4.192 4.320 -0.006 0.000 0.208 1104 K C 1.988 178.584 176.600 -0.007 0.000 1.047 1104 K CA 1.348 57.630 56.287 -0.007 0.000 0.928 1104 K CB -0.195 32.297 32.500 -0.015 0.000 0.716 1104 K HN 0.195 nan 8.250 nan 0.000 0.446 1105 L N -0.267 120.955 121.223 -0.001 0.000 2.109 1105 L HA -0.104 4.233 4.340 -0.006 0.000 0.207 1105 L C 2.437 179.314 176.870 0.012 0.000 1.086 1105 L CA 0.963 55.806 54.840 0.006 0.000 0.760 1105 L CB -0.463 41.603 42.059 0.012 0.000 0.910 1105 L HN 0.193 nan 8.230 nan 0.000 0.437 1106 A N -0.003 122.827 122.820 0.017 0.000 1.902 1106 A HA -0.236 4.081 4.320 -0.006 0.000 0.217 1106 A C 2.143 179.737 177.584 0.016 0.000 1.181 1106 A CA 1.723 53.775 52.037 0.024 0.000 0.623 1106 A CB -0.435 18.584 19.000 0.032 0.000 0.818 1106 A HN 0.431 nan 8.150 nan 0.000 0.443 1107 E N -0.742 119.463 120.200 0.009 0.000 2.268 1107 E HA -0.102 4.245 4.350 -0.006 0.000 0.195 1107 E C 1.673 178.273 176.600 -0.000 0.000 0.995 1107 E CA 0.337 56.739 56.400 0.004 0.000 0.836 1107 E CB 0.024 29.723 29.700 -0.001 0.000 0.763 1107 E HN 0.282 nan 8.360 nan 0.000 0.491 1108 R N 0.916 121.416 120.500 -0.001 0.000 2.323 1108 R HA 0.031 4.368 4.340 -0.006 0.000 0.198 1108 R C 0.049 176.352 176.300 0.005 0.000 0.988 1108 R CA 0.081 56.178 56.100 -0.003 0.000 1.041 1108 R CB -0.648 29.647 30.300 -0.007 0.000 0.926 1108 R HN 0.151 nan 8.270 nan 0.000 0.476 1109 N N 0.612 119.317 118.700 0.009 0.000 2.688 1109 N HA -0.146 4.591 4.740 -0.006 0.000 0.258 1109 N C -0.127 175.391 175.510 0.014 0.000 1.016 1109 N CA 1.141 54.198 53.050 0.012 0.000 0.747 1109 N CB -1.262 37.230 38.487 0.008 0.000 0.895 1109 N HN 0.213 nan 8.380 nan 0.000 0.543 1110 V N -3.491 116.435 119.914 0.019 0.000 3.166 1110 V HA 0.787 4.903 4.120 -0.006 0.000 0.317 1110 V C 0.710 176.819 176.094 0.025 0.000 1.136 1110 V CA -0.617 61.697 62.300 0.023 0.000 1.035 1110 V CB 2.272 34.114 31.823 0.031 0.000 1.110 1110 V HN 0.086 nan 8.190 nan 0.000 0.450 1111 T N 1.224 115.793 114.554 0.024 0.000 2.824 1111 T HA 0.715 5.062 4.350 -0.006 0.000 0.280 1111 T C -0.668 174.050 174.700 0.031 0.000 0.995 1111 T CA -0.293 61.825 62.100 0.030 0.000 1.009 1111 T CB 1.396 70.275 68.868 0.019 0.000 0.955 1111 T HN 0.733 nan 8.240 nan 0.000 0.452 1112 V N 4.306 124.244 119.914 0.040 0.000 2.531 1112 V HA 0.486 4.603 4.120 -0.006 0.000 0.301 1112 V C -0.509 175.599 176.094 0.023 0.000 1.034 1112 V CA -0.763 61.552 62.300 0.025 0.000 0.865 1112 V CB 1.767 33.602 31.823 0.020 0.000 0.995 1112 V HN 0.864 nan 8.190 nan 0.000 0.424 1113 M N 4.121 123.717 119.600 -0.007 0.000 2.167 1113 M HA 0.683 5.160 4.480 -0.006 0.000 0.333 1113 M C -0.007 176.246 176.300 -0.079 0.000 1.030 1113 M CA -0.306 54.979 55.300 -0.025 0.000 0.963 1113 M CB 1.815 34.396 32.600 -0.032 0.000 1.589 1113 M HN 0.735 nan 8.290 nan 0.000 0.431 1114 A N 4.577 127.342 122.820 -0.092 0.000 2.252 1114 A HA 0.457 4.773 4.320 -0.006 0.000 0.309 1114 A C 0.845 178.292 177.584 -0.228 0.000 1.285 1114 A CA -0.621 51.316 52.037 -0.167 0.000 0.900 1114 A CB 0.420 19.320 19.000 -0.167 0.000 1.157 1114 A HN 0.929 nan 8.150 nan 0.000 0.536 1115 M N 1.497 120.874 119.600 -0.373 0.000 2.476 1115 M HA -0.087 4.389 4.480 -0.006 0.000 0.262 1115 M C 1.292 177.380 176.300 -0.353 0.000 1.079 1115 M CA 1.159 56.193 55.300 -0.444 0.000 1.104 1115 M CB -0.938 31.236 32.600 -0.711 0.000 1.409 1115 M HN 0.891 nan 8.290 nan 0.000 0.467 1116 D N -1.349 118.839 120.400 -0.353 0.000 2.348 1116 D HA -0.045 4.592 4.640 -0.006 0.000 0.216 1116 D C 0.774 176.949 176.300 -0.209 0.000 0.970 1116 D CA 0.645 54.433 54.000 -0.353 0.000 0.889 1116 D CB -0.144 39.924 40.800 -1.219 0.000 0.912 1116 D HN 0.207 nan 8.370 nan 0.000 0.524 1117 S N 0.243 115.864 115.700 -0.131 0.000 2.568 1117 S HA 0.142 4.609 4.470 -0.006 0.000 0.232 1117 S C 0.548 175.149 174.600 0.001 0.000 0.975 1117 S CA -0.501 57.696 58.200 -0.005 0.000 0.949 1117 S CB 0.767 64.008 63.200 0.068 0.000 0.829 1117 S HN 0.091 nan 8.310 nan 0.000 0.479 1118 V N 4.709 124.607 119.914 -0.026 0.000 2.509 1118 V HA 0.055 4.171 4.120 -0.006 0.000 0.297 1118 V C -2.176 173.922 176.094 0.006 0.000 1.014 1118 V CA -1.139 61.152 62.300 -0.015 0.000 1.127 1118 V CB -0.410 31.400 31.823 -0.020 0.000 0.925 1118 V HN 0.203 nan 8.190 nan 0.000 0.480 1119 P HA 0.181 nan 4.420 nan 0.000 0.268 1119 P C -0.502 176.804 177.300 0.011 0.000 1.205 1119 P CA -0.353 62.749 63.100 0.004 0.000 0.771 1119 P CB 0.360 32.053 31.700 -0.012 0.000 0.858 1120 R N 3.226 123.737 120.500 0.018 0.000 4.071 1120 R HA 0.319 4.655 4.340 -0.006 0.000 0.220 1120 R C 0.431 176.740 176.300 0.014 0.000 1.614 1120 R CA -0.104 56.010 56.100 0.023 0.000 1.505 1120 R CB -0.988 29.333 30.300 0.034 0.000 1.384 1120 R HN 0.510 nan 8.270 nan 0.000 0.758 1121 I N -3.377 117.198 120.570 0.008 0.000 2.822 1121 I HA 0.436 4.603 4.170 -0.006 0.000 0.312 1121 I C 0.662 176.782 176.117 0.005 0.000 1.011 1121 I CA -0.801 60.502 61.300 0.004 0.000 1.105 1121 I CB 2.318 40.318 38.000 -0.001 0.000 1.291 1121 I HN 0.021 nan 8.210 nan 0.000 0.474 1122 S N 1.565 117.267 115.700 0.004 0.000 2.399 1122 S HA -0.157 4.309 4.470 -0.006 0.000 0.231 1122 S C 1.690 176.292 174.600 0.003 0.000 1.022 1122 S CA 1.844 60.047 58.200 0.005 0.000 0.983 1122 S CB -0.490 62.712 63.200 0.003 0.000 0.803 1122 S HN 0.809 nan 8.310 nan 0.000 0.480 1123 R N 1.194 121.695 120.500 0.001 0.000 2.307 1123 R HA 0.303 4.639 4.340 -0.006 0.000 0.199 1123 R C 1.533 177.833 176.300 -0.001 0.000 1.000 1123 R CA 0.914 57.014 56.100 0.000 0.000 1.023 1123 R CB -0.209 30.091 30.300 -0.000 0.000 0.908 1123 R HN 0.253 nan 8.270 nan 0.000 0.473 1124 A N 0.449 123.269 122.820 -0.000 0.000 2.275 1124 A HA 0.120 4.437 4.320 -0.006 0.000 0.212 1124 A C 1.403 178.987 177.584 0.001 0.000 1.201 1124 A CA -0.213 51.823 52.037 -0.002 0.000 0.843 1124 A CB 0.099 19.098 19.000 -0.002 0.000 0.873 1124 A HN 0.151 nan 8.150 nan 0.000 0.492 1125 Q N 0.436 120.240 119.800 0.006 0.000 2.167 1125 Q HA -0.128 4.208 4.340 -0.006 0.000 0.202 1125 Q C 2.351 178.356 176.000 0.009 0.000 0.970 1125 Q CA 1.786 57.596 55.803 0.012 0.000 0.855 1125 Q CB -0.579 28.168 28.738 0.014 0.000 0.911 1125 Q HN 0.801 nan 8.270 nan 0.000 0.438 1126 S N -0.635 115.064 115.700 -0.000 0.000 2.474 1126 S HA -0.071 4.395 4.470 -0.006 0.000 0.235 1126 S C 1.560 176.148 174.600 -0.020 0.000 0.997 1126 S CA 0.616 58.812 58.200 -0.007 0.000 0.949 1126 S CB -0.034 63.160 63.200 -0.010 0.000 0.766 1126 S HN 0.227 nan 8.310 nan 0.000 0.517 1127 L N 1.134 122.344 121.223 -0.022 0.000 2.616 1127 L HA 0.392 4.729 4.340 -0.006 0.000 0.229 1127 L C 0.574 177.425 176.870 -0.032 0.000 1.110 1127 L CA 0.222 55.035 54.840 -0.045 0.000 0.884 1127 L CB 0.028 42.058 42.059 -0.048 0.000 1.115 1127 L HN 0.189 nan 8.230 nan 0.000 0.481 1128 D N 0.729 121.132 120.400 0.005 0.000 2.435 1128 D HA 0.172 4.808 4.640 -0.006 0.000 0.230 1128 D C 1.200 177.552 176.300 0.087 0.000 1.215 1128 D CA 0.333 54.355 54.000 0.037 0.000 0.947 1128 D CB 1.413 42.240 40.800 0.045 0.000 1.048 1128 D HN 0.173 nan 8.370 nan 0.000 0.512 1129 A N 4.445 127.333 122.820 0.112 0.000 1.969 1129 A HA -0.115 4.202 4.320 -0.006 0.000 0.218 1129 A C 2.313 180.103 177.584 0.343 0.000 1.169 1129 A CA 0.682 52.877 52.037 0.264 0.000 0.635 1129 A CB -0.262 18.926 19.000 0.312 0.000 0.810 1129 A HN 0.683 nan 8.150 nan 0.000 0.445 1130 L N -0.546 120.855 121.223 0.296 0.000 2.046 1130 L HA -0.165 4.171 4.340 -0.006 0.000 0.208 1130 L C 2.829 179.807 176.870 0.180 0.000 1.077 1130 L CA 1.510 56.507 54.840 0.262 0.000 0.747 1130 L CB -0.486 41.715 42.059 0.236 0.000 0.896 1130 L HN 0.328 nan 8.230 nan 0.000 0.432 1131 S N -0.733 115.052 115.700 0.142 0.000 2.368 1131 S HA -0.159 4.307 4.470 -0.006 0.000 0.224 1131 S C 2.215 176.882 174.600 0.112 0.000 1.029 1131 S CA 1.412 59.678 58.200 0.110 0.000 0.988 1131 S CB -0.114 63.136 63.200 0.083 0.000 0.838 1131 S HN 0.318 nan 8.310 nan 0.000 0.462 1132 S N 1.227 117.004 115.700 0.129 0.000 2.370 1132 S HA -0.034 4.433 4.470 -0.006 0.000 0.226 1132 S C 1.860 176.538 174.600 0.129 0.000 1.033 1132 S CA 1.124 59.399 58.200 0.126 0.000 1.011 1132 S CB -0.246 63.050 63.200 0.160 0.000 0.852 1132 S HN 0.345 nan 8.310 nan 0.000 0.457 1133 M N 0.620 120.312 119.600 0.154 0.000 2.334 1133 M HA 0.196 4.672 4.480 -0.006 0.000 0.266 1133 M C 2.397 178.758 176.300 0.102 0.000 1.082 1133 M CA 0.804 56.180 55.300 0.126 0.000 1.141 1133 M CB -1.643 31.029 32.600 0.121 0.000 1.380 1133 M HN 0.332 nan 8.290 nan 0.000 0.440 1134 A N 0.596 123.480 122.820 0.105 0.000 1.930 1134 A HA -0.169 4.147 4.320 -0.006 0.000 0.217 1134 A C 2.112 179.751 177.584 0.092 0.000 1.175 1134 A CA 1.794 53.887 52.037 0.092 0.000 0.627 1134 A CB -0.975 18.080 19.000 0.093 0.000 0.815 1134 A HN 0.606 nan 8.150 nan 0.000 0.443 1135 N N 0.056 118.811 118.700 0.091 0.000 2.142 1135 N HA -0.133 4.604 4.740 -0.006 0.000 0.186 1135 N C 1.675 177.248 175.510 0.105 0.000 1.023 1135 N CA 1.552 54.656 53.050 0.089 0.000 0.852 1135 N CB -0.131 38.398 38.487 0.071 0.000 0.998 1135 N HN 0.355 nan 8.380 nan 0.000 0.424 1136 I N 1.746 122.374 120.570 0.097 0.000 2.179 1136 I HA -0.195 3.971 4.170 -0.006 0.000 0.242 1136 I C 2.622 178.834 176.117 0.158 0.000 1.088 1136 I CA 0.970 62.337 61.300 0.112 0.000 1.357 1136 I CB -1.642 36.411 38.000 0.088 0.000 1.051 1136 I HN 0.115 nan 8.210 nan 0.000 0.409 1137 A N 1.035 123.927 122.820 0.120 0.000 1.940 1137 A HA -0.121 4.195 4.320 -0.006 0.000 0.219 1137 A C 2.502 180.152 177.584 0.110 0.000 1.176 1137 A CA 1.936 54.038 52.037 0.108 0.000 0.631 1137 A CB -1.318 17.731 19.000 0.082 0.000 0.814 1137 A HN 0.449 nan 8.150 nan 0.000 0.446 1138 G N -1.733 107.136 108.800 0.115 0.000 2.418 1138 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.217 1138 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.217 1138 G C 1.547 176.520 174.900 0.122 0.000 1.158 1138 G CA 1.223 46.386 45.100 0.105 0.000 0.771 1138 G HN 0.621 nan 8.290 nan 0.000 0.545 1139 Y N 1.397 121.719 120.300 0.037 0.000 2.128 1139 Y HA -0.146 4.401 4.550 -0.005 0.000 0.284 1139 Y C 2.912 178.826 175.900 0.022 0.000 1.154 1139 Y CA 2.285 60.401 58.100 0.027 0.000 1.149 1139 Y CB -0.076 38.399 38.460 0.025 0.000 0.976 1139 Y HN 0.155 nan 8.280 nan 0.000 0.505 1140 R N 0.935 121.512 120.500 0.129 0.000 2.115 1140 R HA -0.010 4.327 4.340 -0.006 0.000 0.226 1140 R C 2.265 178.553 176.300 -0.020 0.000 1.100 1140 R CA 1.300 57.423 56.100 0.038 0.000 0.980 1140 R CB -1.035 29.348 30.300 0.138 0.000 0.875 1140 R HN 0.446 nan 8.270 nan 0.000 0.445 1141 A N 0.888 123.718 122.820 0.016 0.000 1.917 1141 A HA -0.155 4.161 4.320 -0.006 0.000 0.219 1141 A C 1.988 179.556 177.584 -0.026 0.000 1.182 1141 A CA 1.667 53.713 52.037 0.016 0.000 0.633 1141 A CB -0.549 18.466 19.000 0.026 0.000 0.819 1141 A HN 0.287 nan 8.150 nan 0.000 0.448 1142 I N -0.382 120.137 120.570 -0.084 0.000 2.353 1142 I HA -0.131 4.036 4.170 -0.006 0.000 0.248 1142 I C 2.483 178.459 176.117 -0.236 0.000 1.119 1142 I CA 0.931 62.154 61.300 -0.127 0.000 1.417 1142 I CB -1.220 36.694 38.000 -0.143 0.000 1.078 1142 I HN 0.132 nan 8.210 nan 0.000 0.421 1143 V N 1.052 120.788 119.914 -0.297 0.000 2.343 1143 V HA -0.222 3.895 4.120 -0.006 0.000 0.247 1143 V C 2.572 178.614 176.094 -0.085 0.000 1.051 1143 V CA 1.581 63.725 62.300 -0.259 0.000 1.036 1143 V CB -0.512 31.138 31.823 -0.287 0.000 0.654 1143 V HN 0.374 nan 8.190 nan 0.000 0.451 1144 E N 0.346 120.538 120.200 -0.014 0.000 2.077 1144 E HA -0.181 4.166 4.350 -0.006 0.000 0.193 1144 E C 2.374 179.039 176.600 0.109 0.000 0.989 1144 E CA 1.467 57.925 56.400 0.097 0.000 0.800 1144 E CB -0.566 29.225 29.700 0.150 0.000 0.746 1144 E HN 0.575 nan 8.360 nan 0.000 0.452 1145 A N 1.822 124.676 122.820 0.057 0.000 1.883 1145 A HA -0.135 4.181 4.320 -0.006 0.000 0.217 1145 A C 2.475 180.171 177.584 0.186 0.000 1.186 1145 A CA 2.358 54.460 52.037 0.108 0.000 0.624 1145 A CB -0.715 18.360 19.000 0.125 0.000 0.822 1145 A HN 0.282 nan 8.150 nan 0.000 0.444 1146 A N -1.238 121.580 122.820 -0.002 0.000 1.902 1146 A HA -0.183 4.134 4.320 -0.006 0.000 0.217 1146 A C 2.028 179.691 177.584 0.131 0.000 1.181 1146 A CA 2.164 54.174 52.037 -0.046 0.000 0.623 1146 A CB -0.900 17.812 19.000 -0.480 0.000 0.818 1146 A HN 0.749 nan 8.150 nan 0.000 0.443 1147 H N -0.131 118.949 119.070 0.018 0.000 2.352 1147 H HA -0.081 4.473 4.556 -0.004 0.000 0.299 1147 H C 1.744 177.122 175.328 0.084 0.000 1.097 1147 H CA 1.970 58.045 56.048 0.044 0.000 1.311 1147 H CB 0.135 29.916 29.762 0.033 0.000 1.377 1147 H HN 0.383 nan 8.280 nan 0.000 0.504 1148 E N -0.500 119.762 120.200 0.102 0.000 2.299 1148 E HA -0.040 4.307 4.350 -0.006 0.000 0.193 1148 E C -0.068 176.608 176.600 0.126 0.000 0.998 1148 E CA -0.032 56.404 56.400 0.061 0.000 0.851 1148 E CB -0.220 29.542 29.700 0.103 0.000 0.795 1148 E HN 0.273 nan 8.360 nan 0.000 0.492 1149 F N 0.931 120.898 119.950 0.028 0.000 2.399 1149 F HA 0.410 4.939 4.527 0.003 0.000 0.342 1149 F C 1.430 177.235 175.800 0.008 0.000 1.106 1149 F CA -0.533 57.499 58.000 0.054 0.000 1.196 1149 F CB 1.391 40.508 39.000 0.195 0.000 1.163 1149 F HN -0.120 nan 8.300 nan 0.000 0.547 1150 G N 5.320 113.830 108.800 -0.483 0.000 3.189 1150 G HA2 0.196 4.152 3.960 -0.006 0.000 0.225 1150 G HA3 0.196 4.152 3.960 -0.006 0.000 0.225 1150 G C 0.304 174.849 174.900 -0.593 0.000 1.159 1150 G CA -0.326 44.519 45.100 -0.425 0.000 0.763 1150 G HN 0.520 nan 8.290 nan 0.000 0.549 1151 R N -0.990 118.914 120.500 -0.993 0.000 2.888 1151 R HA 0.513 4.850 4.340 -0.006 0.000 0.266 1151 R C -1.012 175.138 176.300 -0.250 0.000 1.020 1151 R CA -0.962 54.719 56.100 -0.698 0.000 0.963 1151 R CB 1.230 31.100 30.300 -0.717 0.000 1.197 1151 R HN 0.026 nan 8.270 nan 0.000 0.481 1152 F N 1.108 121.053 119.950 -0.009 0.000 2.607 1152 F HA -0.000 4.520 4.527 -0.010 0.000 0.374 1152 F C 1.406 177.414 175.800 0.347 0.000 1.104 1152 F CA 0.091 58.185 58.000 0.157 0.000 1.296 1152 F CB 0.038 39.100 39.000 0.104 0.000 1.085 1152 F HN 0.473 nan 8.300 nan 0.000 0.584 1153 F N 0.658 120.851 119.950 0.405 0.000 2.206 1153 F HA -0.082 4.439 4.527 -0.010 0.000 0.298 1153 F C 1.582 177.492 175.800 0.184 0.000 1.090 1153 F CA 1.002 59.169 58.000 0.278 0.000 1.323 1153 F CB -0.514 38.589 39.000 0.172 0.000 1.028 1153 F HN 0.201 nan 8.300 nan 0.000 0.492 1154 T N 0.629 115.377 114.554 0.323 0.000 2.780 1154 T HA 0.449 4.796 4.350 -0.006 0.000 0.294 1154 T C 0.599 175.315 174.700 0.027 0.000 0.949 1154 T CA -0.331 61.836 62.100 0.113 0.000 1.074 1154 T CB 0.851 69.719 68.868 0.000 0.000 0.910 1154 T HN 0.255 nan 8.240 nan 0.000 0.501 1155 G N 2.271 111.091 108.800 0.033 0.000 2.491 1155 G HA2 0.428 4.385 3.960 -0.006 0.000 0.238 1155 G HA3 0.428 4.385 3.960 -0.006 0.000 0.238 1155 G C -0.568 174.303 174.900 -0.048 0.000 1.277 1155 G CA -0.171 44.940 45.100 0.018 0.000 0.851 1155 G HN 0.676 nan 8.290 nan 0.000 0.573 1156 Q N -0.071 119.706 119.800 -0.038 0.000 2.438 1156 Q HA 0.357 4.694 4.340 -0.006 0.000 0.272 1156 Q C -1.561 174.430 176.000 -0.016 0.000 0.994 1156 Q CA -0.773 54.981 55.803 -0.081 0.000 0.887 1156 Q CB 2.442 31.044 28.738 -0.228 0.000 1.432 1156 Q HN 0.617 nan 8.270 nan 0.000 0.392 1157 I N 2.863 123.423 120.570 -0.017 0.000 2.312 1157 I HA 0.537 4.704 4.170 -0.006 0.000 0.290 1157 I C -0.617 175.506 176.117 0.009 0.000 1.008 1157 I CA 0.102 61.405 61.300 0.005 0.000 1.226 1157 I CB 1.081 39.082 38.000 0.002 0.000 1.371 1157 I HN 0.720 nan 8.210 nan 0.000 0.468 1158 T N 3.140 117.712 114.554 0.030 0.000 2.926 1158 T HA 0.612 4.959 4.350 -0.006 0.000 0.289 1158 T C 0.927 175.646 174.700 0.031 0.000 1.054 1158 T CA -0.237 61.886 62.100 0.037 0.000 1.015 1158 T CB 1.694 70.606 68.868 0.073 0.000 1.167 1158 T HN 0.559 nan 8.240 nan 0.000 0.526 1159 A N 0.276 123.113 122.820 0.028 0.000 2.067 1159 A HA 0.402 4.719 4.320 -0.006 0.000 0.219 1159 A C 2.031 179.628 177.584 0.022 0.000 1.158 1159 A CA 1.197 53.247 52.037 0.021 0.000 0.661 1159 A CB -1.066 17.945 19.000 0.018 0.000 0.801 1159 A HN 1.323 nan 8.150 nan 0.000 0.452 1160 A N -0.995 121.843 122.820 0.030 0.000 2.545 1160 A HA 0.542 4.859 4.320 -0.006 0.000 0.277 1160 A C 0.846 178.447 177.584 0.029 0.000 1.301 1160 A CA 0.596 52.648 52.037 0.026 0.000 0.935 1160 A CB -0.868 18.147 19.000 0.025 0.000 1.093 1160 A HN 1.897 nan 8.150 nan 0.000 0.519 1161 G N -0.470 108.349 108.800 0.032 0.000 2.465 1161 G HA2 0.183 4.140 3.960 -0.006 0.000 0.681 1161 G HA3 0.183 4.140 3.960 -0.006 0.000 0.681 1161 G C -0.815 174.112 174.900 0.045 0.000 1.340 1161 G CA -0.613 44.507 45.100 0.034 0.000 0.884 1161 G HN 0.538 nan 8.290 nan 0.000 0.650 1162 K N 0.834 121.257 120.400 0.038 0.000 2.273 1162 K HA 0.580 4.897 4.320 -0.006 0.000 0.287 1162 K C 0.273 176.906 176.600 0.055 0.000 1.089 1162 K CA -0.509 55.802 56.287 0.040 0.000 0.909 1162 K CB 0.911 33.427 32.500 0.027 0.000 1.123 1162 K HN 0.610 nan 8.250 nan 0.000 0.473 1163 V N 7.827 127.791 119.914 0.083 0.000 2.488 1163 V HA 0.282 4.399 4.120 -0.006 0.000 0.277 1163 V C -1.731 174.419 176.094 0.093 0.000 1.046 1163 V CA -1.575 60.795 62.300 0.117 0.000 0.986 1163 V CB 0.586 32.553 31.823 0.239 0.000 0.989 1163 V HN 0.859 nan 8.190 nan 0.000 0.475 1164 P HA 0.343 nan 4.420 nan 0.000 0.274 1164 P C -2.766 174.584 177.300 0.084 0.000 1.237 1164 P CA -1.792 61.346 63.100 0.063 0.000 0.793 1164 P CB 0.155 31.883 31.700 0.046 0.000 0.977 1165 P HA 0.163 nan 4.420 nan 0.000 0.274 1165 P C -0.295 177.018 177.300 0.023 0.000 1.231 1165 P CA -0.221 62.914 63.100 0.059 0.000 0.790 1165 P CB 0.165 31.886 31.700 0.034 0.000 0.951 1166 A N 2.786 125.588 122.820 -0.030 0.000 2.483 1166 A HA 0.139 4.455 4.320 -0.006 0.000 0.238 1166 A C 0.146 177.602 177.584 -0.212 0.000 1.070 1166 A CA 0.199 52.120 52.037 -0.194 0.000 0.770 1166 A CB -0.352 18.256 19.000 -0.653 0.000 1.008 1166 A HN 0.462 nan 8.150 nan 0.000 0.497 1167 K N 1.049 121.327 120.400 -0.203 0.000 2.235 1167 K HA 0.551 4.867 4.320 -0.006 0.000 0.266 1167 K C -1.422 175.054 176.600 -0.205 0.000 0.980 1167 K CA -0.498 55.700 56.287 -0.148 0.000 0.849 1167 K CB 2.001 34.453 32.500 -0.081 0.000 1.098 1167 K HN 0.371 nan 8.250 nan 0.000 0.445 1168 V N 4.218 124.038 119.914 -0.157 0.000 2.487 1168 V HA 0.394 4.511 4.120 -0.006 0.000 0.298 1168 V C -0.544 175.512 176.094 -0.063 0.000 1.028 1168 V CA -0.846 61.372 62.300 -0.137 0.000 0.860 1168 V CB 1.595 33.359 31.823 -0.099 0.000 0.991 1168 V HN 0.802 nan 8.190 nan 0.000 0.427 1169 M N 5.754 125.315 119.600 -0.064 0.000 2.227 1169 M HA 0.687 5.164 4.480 -0.006 0.000 0.335 1169 M C -1.546 174.732 176.300 -0.036 0.000 1.053 1169 M CA -0.372 54.907 55.300 -0.036 0.000 0.973 1169 M CB 1.640 34.206 32.600 -0.056 0.000 1.623 1169 M HN 0.431 nan 8.290 nan 0.000 0.434 1170 V N 6.815 126.732 119.914 0.005 0.000 2.370 1170 V HA 0.433 4.549 4.120 -0.006 0.000 0.283 1170 V C -0.241 175.868 176.094 0.024 0.000 1.023 1170 V CA -0.533 61.775 62.300 0.013 0.000 0.857 1170 V CB 1.411 33.264 31.823 0.051 0.000 0.985 1170 V HN 0.784 nan 8.190 nan 0.000 0.443 1171 I N 4.655 125.206 120.570 -0.032 0.000 2.304 1171 I HA 0.677 4.843 4.170 -0.006 0.000 0.291 1171 I C 0.741 176.897 176.117 0.064 0.000 1.018 1171 I CA 0.070 61.366 61.300 -0.007 0.000 1.260 1171 I CB 1.172 39.033 38.000 -0.231 0.000 1.390 1171 I HN 0.882 nan 8.210 nan 0.000 0.475 1172 G N 4.666 113.542 108.800 0.127 0.000 3.322 1172 G HA2 0.090 4.047 3.960 -0.006 0.000 0.686 1172 G HA3 0.090 4.047 3.960 -0.006 0.000 0.686 1172 G C -0.318 174.640 174.900 0.097 0.000 1.015 1172 G CA -0.341 44.824 45.100 0.109 0.000 0.826 1172 G HN 0.959 nan 8.290 nan 0.000 0.538 1173 A N 2.177 125.058 122.820 0.101 0.000 3.106 1173 A HA 0.797 5.114 4.320 -0.006 0.000 0.306 1173 A C 1.396 179.019 177.584 0.066 0.000 1.192 1173 A CA 1.059 53.153 52.037 0.094 0.000 0.994 1173 A CB -0.189 18.886 19.000 0.125 0.000 1.107 1173 A HN 2.110 nan 8.150 nan 0.000 0.585 1174 G N -0.716 108.122 108.800 0.063 0.000 2.485 1174 G HA2 0.315 4.271 3.960 -0.006 0.000 0.260 1174 G HA3 0.315 4.271 3.960 -0.006 0.000 0.260 1174 G C 1.172 176.106 174.900 0.056 0.000 1.459 1174 G CA 0.382 45.515 45.100 0.055 0.000 1.060 1174 G HN 0.221 nan 8.290 nan 0.000 0.546 1175 V N 0.907 120.857 119.914 0.059 0.000 2.332 1175 V HA -0.203 3.914 4.120 -0.006 0.000 0.248 1175 V C 3.272 179.407 176.094 0.069 0.000 1.055 1175 V CA 2.666 65.003 62.300 0.062 0.000 1.038 1175 V CB -1.083 30.780 31.823 0.067 0.000 0.651 1175 V HN 0.747 nan 8.190 nan 0.000 0.450 1176 A N 0.226 123.088 122.820 0.071 0.000 1.897 1176 A HA 0.035 4.351 4.320 -0.006 0.000 0.215 1176 A C 2.412 180.039 177.584 0.072 0.000 1.181 1176 A CA 1.618 53.699 52.037 0.075 0.000 0.620 1176 A CB -1.120 17.921 19.000 0.069 0.000 0.821 1176 A HN 0.513 nan 8.150 nan 0.000 0.443 1177 G N -0.099 108.742 108.800 0.067 0.000 2.418 1177 G HA2 -0.149 3.808 3.960 -0.006 0.000 0.217 1177 G HA3 -0.149 3.808 3.960 -0.006 0.000 0.217 1177 G C 1.549 176.492 174.900 0.072 0.000 1.158 1177 G CA 0.973 46.114 45.100 0.068 0.000 0.771 1177 G HN 0.401 nan 8.290 nan 0.000 0.545 1178 L N 0.617 121.882 121.223 0.069 0.000 2.046 1178 L HA -0.104 4.233 4.340 -0.006 0.000 0.208 1178 L C 3.425 180.340 176.870 0.074 0.000 1.077 1178 L CA 1.095 55.974 54.840 0.066 0.000 0.747 1178 L CB -0.463 41.628 42.059 0.053 0.000 0.896 1178 L HN 0.332 nan 8.230 nan 0.000 0.432 1179 A N -0.028 122.841 122.820 0.083 0.000 1.933 1179 A HA -0.172 4.145 4.320 -0.006 0.000 0.218 1179 A C 2.501 180.153 177.584 0.113 0.000 1.175 1179 A CA 1.761 53.862 52.037 0.107 0.000 0.628 1179 A CB -0.579 18.494 19.000 0.121 0.000 0.814 1179 A HN 0.427 nan 8.150 nan 0.000 0.444 1180 A N -0.178 122.696 122.820 0.090 0.000 1.930 1180 A HA -0.005 4.312 4.320 -0.006 0.000 0.217 1180 A C 2.092 179.722 177.584 0.076 0.000 1.175 1180 A CA 1.328 53.409 52.037 0.073 0.000 0.627 1180 A CB -0.552 18.483 19.000 0.059 0.000 0.815 1180 A HN 0.481 nan 8.150 nan 0.000 0.443 1181 I N -0.159 120.458 120.570 0.078 0.000 2.163 1181 I HA -0.241 3.925 4.170 -0.006 0.000 0.243 1181 I C 2.726 178.892 176.117 0.082 0.000 1.085 1181 I CA 1.310 62.657 61.300 0.078 0.000 1.347 1181 I CB -0.628 37.419 38.000 0.077 0.000 1.044 1181 I HN 0.393 nan 8.210 nan 0.000 0.408 1182 G N 0.264 109.115 108.800 0.084 0.000 2.418 1182 G HA2 -0.242 3.714 3.960 -0.006 0.000 0.217 1182 G HA3 -0.242 3.714 3.960 -0.006 0.000 0.217 1182 G C 1.847 176.805 174.900 0.097 0.000 1.158 1182 G CA 0.858 46.011 45.100 0.088 0.000 0.771 1182 G HN 0.504 nan 8.290 nan 0.000 0.545 1183 A N 1.193 124.075 122.820 0.102 0.000 1.877 1183 A HA 0.274 4.591 4.320 -0.006 0.000 0.216 1183 A C 2.835 180.446 177.584 0.045 0.000 1.186 1183 A CA 2.288 54.362 52.037 0.062 0.000 0.620 1183 A CB -0.852 18.129 19.000 -0.032 0.000 0.822 1183 A HN 0.814 nan 8.150 nan 0.000 0.443 1184 A N 0.300 123.173 122.820 0.089 0.000 1.902 1184 A HA -0.213 4.103 4.320 -0.006 0.000 0.217 1184 A C 1.931 179.612 177.584 0.161 0.000 1.181 1184 A CA 1.855 54.000 52.037 0.181 0.000 0.623 1184 A CB -0.652 18.458 19.000 0.183 0.000 0.818 1184 A HN 0.552 nan 8.150 nan 0.000 0.443 1185 N N 0.445 119.210 118.700 0.108 0.000 2.120 1185 N HA -0.103 4.634 4.740 -0.006 0.000 0.188 1185 N C 1.956 177.517 175.510 0.085 0.000 1.024 1185 N CA 1.606 54.710 53.050 0.090 0.000 0.852 1185 N CB -0.582 37.947 38.487 0.071 0.000 1.003 1185 N HN 0.445 nan 8.380 nan 0.000 0.424 1186 S N 1.130 116.877 115.700 0.078 0.000 2.374 1186 S HA -0.041 4.425 4.470 -0.006 0.000 0.227 1186 S C 1.878 176.515 174.600 0.061 0.000 1.037 1186 S CA 0.720 58.959 58.200 0.065 0.000 1.024 1186 S CB -0.247 62.995 63.200 0.070 0.000 0.861 1186 S HN 0.296 nan 8.310 nan 0.000 0.456 1187 L N 0.700 121.968 121.223 0.075 0.000 2.610 1187 L HA 0.138 4.474 4.340 -0.006 0.000 0.232 1187 L C 1.694 178.667 176.870 0.171 0.000 1.149 1187 L CA 0.424 55.325 54.840 0.101 0.000 0.872 1187 L CB -0.552 41.540 42.059 0.054 0.000 0.992 1187 L HN 0.551 nan 8.230 nan 0.000 0.447 1188 G N -0.356 108.525 108.800 0.134 0.000 2.157 1188 G HA2 -0.261 3.696 3.960 -0.006 0.000 0.248 1188 G HA3 -0.261 3.696 3.960 -0.006 0.000 0.248 1188 G C 0.401 175.366 174.900 0.107 0.000 0.979 1188 G CA 0.015 45.178 45.100 0.105 0.000 0.650 1188 G HN 0.498 nan 8.290 nan 0.000 0.529 1189 A N -0.394 122.511 122.820 0.142 0.000 2.366 1189 A HA 0.715 5.032 4.320 -0.006 0.000 0.249 1189 A C 0.541 178.143 177.584 0.030 0.000 1.084 1189 A CA -0.045 52.027 52.037 0.059 0.000 0.794 1189 A CB 0.383 19.401 19.000 0.030 0.000 1.034 1189 A HN 0.793 nan 8.150 nan 0.000 0.491 1190 I N 1.515 122.081 120.570 -0.007 0.000 2.337 1190 I HA 0.255 4.421 4.170 -0.006 0.000 0.291 1190 I C -0.606 175.507 176.117 -0.006 0.000 1.046 1190 I CA -0.025 61.275 61.300 0.001 0.000 1.324 1190 I CB 1.097 39.093 38.000 -0.007 0.000 1.409 1190 I HN 0.252 nan 8.210 nan 0.000 0.494 1191 V N 7.273 127.200 119.914 0.021 0.000 2.459 1191 V HA 0.524 4.641 4.120 -0.006 0.000 0.295 1191 V C -0.025 176.096 176.094 0.046 0.000 1.029 1191 V CA -0.764 61.553 62.300 0.029 0.000 0.874 1191 V CB 1.790 33.644 31.823 0.051 0.000 0.985 1191 V HN 0.657 nan 8.190 nan 0.000 0.438 1192 R N 2.383 122.909 120.500 0.044 0.000 2.670 1192 R HA 0.891 5.227 4.340 -0.006 0.000 0.289 1192 R C -0.761 175.594 176.300 0.092 0.000 0.965 1192 R CA -0.466 55.676 56.100 0.070 0.000 0.899 1192 R CB 2.304 32.633 30.300 0.048 0.000 1.173 1192 R HN 0.866 nan 8.270 nan 0.000 0.456 1193 A N 2.254 125.159 122.820 0.142 0.000 2.475 1193 A HA 0.686 5.002 4.320 -0.006 0.000 0.301 1193 A C -1.811 175.881 177.584 0.180 0.000 1.059 1193 A CA -0.558 51.584 52.037 0.175 0.000 0.710 1193 A CB 1.285 20.408 19.000 0.205 0.000 1.288 1193 A HN 0.606 nan 8.150 nan 0.000 0.408 1194 F N 1.647 121.617 119.950 0.032 0.000 2.507 1194 F HA 0.617 5.140 4.527 -0.006 0.000 0.325 1194 F C -0.604 175.271 175.800 0.125 0.000 1.116 1194 F CA -0.477 57.495 58.000 -0.047 0.000 0.930 1194 F CB 1.564 40.635 39.000 0.119 0.000 1.146 1194 F HN 0.623 nan 8.300 nan 0.000 0.447 1195 D N 2.455 122.452 120.400 -0.672 0.000 2.601 1195 D HA 0.165 4.802 4.640 -0.006 0.000 0.230 1195 D C 0.517 176.403 176.300 -0.690 0.000 1.106 1195 D CA -0.143 53.635 54.000 -0.370 0.000 0.873 1195 D CB 2.641 43.481 40.800 0.067 0.000 1.515 1195 D HN 0.674 nan 8.370 nan 0.000 0.468 1196 T N -0.242 114.182 114.554 -0.218 0.000 3.035 1196 T HA 0.059 4.406 4.350 -0.006 0.000 0.268 1196 T C 0.950 175.677 174.700 0.045 0.000 1.109 1196 T CA 0.408 62.528 62.100 0.034 0.000 1.119 1196 T CB 0.117 69.082 68.868 0.163 0.000 0.900 1196 T HN 0.172 nan 8.240 nan 0.000 0.503 1197 R N 2.346 122.864 120.500 0.030 0.000 2.204 1197 R HA 0.260 4.596 4.340 -0.006 0.000 0.341 1197 R C -1.857 174.485 176.300 0.069 0.000 1.035 1197 R CA -2.034 54.090 56.100 0.039 0.000 0.887 1197 R CB 0.968 31.279 30.300 0.018 0.000 1.114 1197 R HN 0.210 nan 8.270 nan 0.000 0.473 1198 P HA -0.192 nan 4.420 nan 0.000 0.223 1198 P C 0.705 177.960 177.300 -0.076 0.000 1.151 1198 P CA 1.030 64.179 63.100 0.082 0.000 0.787 1198 P CB 0.245 32.013 31.700 0.113 0.000 0.788 1199 E N 0.839 121.004 120.200 -0.057 0.000 2.209 1199 E HA -0.128 4.218 4.350 -0.006 0.000 0.196 1199 E C 1.745 178.258 176.600 -0.146 0.000 0.993 1199 E CA 1.683 58.032 56.400 -0.085 0.000 0.819 1199 E CB -1.333 28.340 29.700 -0.045 0.000 0.745 1199 E HN 0.288 nan 8.360 nan 0.000 0.477 1200 V N -0.600 119.201 119.914 -0.187 0.000 3.217 1200 V HA -0.061 4.056 4.120 -0.006 0.000 0.264 1200 V C 2.456 178.266 176.094 -0.472 0.000 1.135 1200 V CA 1.412 63.572 62.300 -0.233 0.000 1.142 1200 V CB -0.704 31.041 31.823 -0.131 0.000 0.754 1200 V HN 0.089 nan 8.190 nan 0.000 0.484 1201 K N 0.934 120.845 120.400 -0.816 0.000 2.034 1201 K HA -0.326 3.991 4.320 -0.006 0.000 0.214 1201 K C 2.131 178.425 176.600 -0.509 0.000 1.051 1201 K CA 2.636 58.214 56.287 -1.181 0.000 0.931 1201 K CB -0.248 31.735 32.500 -0.862 0.000 0.715 1201 K HN 0.556 nan 8.250 nan 0.000 0.446 1202 E N 0.052 120.076 120.200 -0.292 0.000 2.110 1202 E HA -0.207 4.140 4.350 -0.006 0.000 0.193 1202 E C 2.040 178.569 176.600 -0.119 0.000 0.988 1202 E CA 1.256 57.562 56.400 -0.156 0.000 0.804 1202 E CB -0.034 29.606 29.700 -0.100 0.000 0.745 1202 E HN 0.269 nan 8.360 nan 0.000 0.458 1203 Q N 0.014 119.739 119.800 -0.126 0.000 2.050 1203 Q HA -0.117 4.220 4.340 -0.006 0.000 0.202 1203 Q C 2.058 178.024 176.000 -0.056 0.000 0.980 1203 Q CA 1.384 57.143 55.803 -0.073 0.000 0.840 1203 Q CB -0.417 28.286 28.738 -0.059 0.000 0.898 1203 Q HN 0.200 nan 8.270 nan 0.000 0.424 1204 V N 0.672 120.533 119.914 -0.089 0.000 2.287 1204 V HA -0.325 3.792 4.120 -0.006 0.000 0.248 1204 V C 2.317 178.421 176.094 0.016 0.000 1.053 1204 V CA 2.350 64.644 62.300 -0.010 0.000 1.027 1204 V CB -0.600 31.248 31.823 0.041 0.000 0.646 1204 V HN 0.475 nan 8.190 nan 0.000 0.447 1205 Q N 0.118 119.908 119.800 -0.017 0.000 2.119 1205 Q HA -0.149 4.188 4.340 -0.006 0.000 0.201 1205 Q C 2.370 178.378 176.000 0.014 0.000 0.972 1205 Q CA 1.752 57.565 55.803 0.017 0.000 0.847 1205 Q CB -0.253 28.487 28.738 0.004 0.000 0.903 1205 Q HN 0.820 nan 8.270 nan 0.000 0.433 1206 S N -0.180 115.518 115.700 -0.003 0.000 2.507 1206 S HA -0.049 4.418 4.470 -0.006 0.000 0.235 1206 S C 1.627 176.237 174.600 0.016 0.000 0.988 1206 S CA 0.704 58.906 58.200 0.004 0.000 0.944 1206 S CB -0.085 63.111 63.200 -0.006 0.000 0.762 1206 S HN 0.285 nan 8.310 nan 0.000 0.526 1207 M N 0.903 120.518 119.600 0.024 0.000 2.494 1207 M HA 0.296 4.773 4.480 -0.006 0.000 0.232 1207 M C 1.411 177.736 176.300 0.042 0.000 1.137 1207 M CA 0.435 55.755 55.300 0.035 0.000 1.012 1207 M CB 0.204 32.829 32.600 0.042 0.000 1.567 1207 M HN 0.530 nan 8.290 nan 0.000 0.486 1208 G N 1.150 109.974 108.800 0.040 0.000 2.143 1208 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.248 1208 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.248 1208 G C 0.055 174.988 174.900 0.054 0.000 0.991 1208 G CA 0.170 45.296 45.100 0.043 0.000 0.689 1208 G HN 0.665 nan 8.290 nan 0.000 0.522 1209 A N -0.445 122.415 122.820 0.067 0.000 2.295 1209 A HA 0.749 5.065 4.320 -0.006 0.000 0.318 1209 A C 0.347 177.996 177.584 0.107 0.000 1.134 1209 A CA 0.067 52.155 52.037 0.085 0.000 0.827 1209 A CB 0.779 19.838 19.000 0.099 0.000 1.136 1209 A HN 0.568 nan 8.150 nan 0.000 0.493 1210 E N 1.204 121.470 120.200 0.110 0.000 2.223 1210 E HA 0.248 4.594 4.350 -0.006 0.000 0.282 1210 E C -1.427 175.298 176.600 0.209 0.000 1.046 1210 E CA -0.286 56.194 56.400 0.134 0.000 0.857 1210 E CB 0.327 30.081 29.700 0.090 0.000 1.055 1210 E HN 0.435 nan 8.360 nan 0.000 0.409 1211 F N 5.967 125.955 119.950 0.063 0.000 2.444 1211 F HA 0.215 4.739 4.527 -0.006 0.000 0.360 1211 F C -0.424 175.445 175.800 0.115 0.000 1.106 1211 F CA -0.464 57.584 58.000 0.081 0.000 1.170 1211 F CB 0.274 39.305 39.000 0.051 0.000 1.113 1211 F HN 0.411 nan 8.300 nan 0.000 0.521 1212 L N 5.865 126.988 121.223 -0.167 0.000 2.417 1212 L HA 0.285 4.622 4.340 -0.006 0.000 0.268 1212 L C -0.008 176.788 176.870 -0.123 0.000 1.158 1212 L CA -0.238 54.558 54.840 -0.073 0.000 0.819 1212 L CB 0.785 42.857 42.059 0.022 0.000 1.112 1212 L HN 0.571 nan 8.230 nan 0.000 0.458 1213 E N 2.106 122.281 120.200 -0.043 0.000 2.281 1213 E HA 0.570 4.916 4.350 -0.006 0.000 0.262 1213 E C -0.876 175.674 176.600 -0.082 0.000 0.933 1213 E CA -0.910 55.485 56.400 -0.008 0.000 0.809 1213 E CB 2.116 31.830 29.700 0.023 0.000 1.242 1213 E HN 0.350 nan 8.360 nan 0.000 0.418 1214 L N 0.392 121.562 121.223 -0.089 0.000 2.567 1214 L HA 0.433 4.770 4.340 -0.006 0.000 0.238 1214 L C 0.145 176.927 176.870 -0.146 0.000 1.168 1214 L CA -0.292 54.422 54.840 -0.211 0.000 0.817 1214 L CB 0.467 42.355 42.059 -0.285 0.000 1.409 1214 L HN 0.575 nan 8.230 nan 0.000 0.502 1232 D N -0.214 120.240 120.400 0.091 0.000 1.863 1232 D HA 0.438 5.075 4.640 -0.006 0.000 0.459 1232 D C 1.592 177.925 176.300 0.054 0.000 0.993 1232 D CA 0.856 54.894 54.000 0.064 0.000 0.982 1232 D CB 0.384 41.205 40.800 0.035 0.000 1.764 1232 D HN 0.485 nan 8.370 nan 0.000 0.538 1233 A N 0.408 123.266 122.820 0.063 0.000 1.969 1233 A HA -0.061 4.255 4.320 -0.006 0.000 0.218 1233 A C 1.950 179.561 177.584 0.045 0.000 1.169 1233 A CA 0.955 53.016 52.037 0.040 0.000 0.635 1233 A CB -0.722 18.304 19.000 0.044 0.000 0.810 1233 A HN 0.255 nan 8.150 nan 0.000 0.445 1234 F N 0.332 120.266 119.950 -0.027 0.000 2.098 1234 F HA -0.096 4.428 4.527 -0.006 0.000 0.294 1234 F C 2.093 177.857 175.800 -0.059 0.000 1.107 1234 F CA 1.329 59.312 58.000 -0.028 0.000 1.234 1234 F CB -0.070 38.933 39.000 0.005 0.000 1.002 1234 F HN 0.104 nan 8.300 nan 0.000 0.472 1235 I N 0.783 121.468 120.570 0.193 0.000 2.087 1235 I HA -0.382 3.784 4.170 -0.006 0.000 0.240 1235 I C 2.337 178.401 176.117 -0.089 0.000 1.054 1235 I CA 1.901 63.242 61.300 0.069 0.000 1.311 1235 I CB -0.998 37.047 38.000 0.076 0.000 1.024 1235 I HN 0.235 nan 8.210 nan 0.000 0.402 1236 K N 0.086 120.437 120.400 -0.081 0.000 2.148 1236 K HA -0.082 4.234 4.320 -0.006 0.000 0.204 1236 K C 2.100 178.584 176.600 -0.193 0.000 1.050 1236 K CA 1.254 57.474 56.287 -0.112 0.000 0.942 1236 K CB -0.054 32.404 32.500 -0.070 0.000 0.724 1236 K HN 0.318 nan 8.250 nan 0.000 0.446 1237 A N 1.358 124.031 122.820 -0.244 0.000 1.929 1237 A HA -0.195 4.122 4.320 -0.006 0.000 0.216 1237 A C 1.988 179.268 177.584 -0.506 0.000 1.176 1237 A CA 1.524 53.367 52.037 -0.325 0.000 0.628 1237 A CB -0.336 18.472 19.000 -0.319 0.000 0.816 1237 A HN 0.423 nan 8.150 nan 0.000 0.444 1238 E N -0.629 119.191 120.200 -0.633 0.000 2.077 1238 E HA -0.199 4.147 4.350 -0.006 0.000 0.193 1238 E C 1.902 177.891 176.600 -1.019 0.000 0.989 1238 E CA 1.544 57.366 56.400 -0.962 0.000 0.800 1238 E CB -0.195 29.059 29.700 -0.743 0.000 0.746 1238 E HN 0.439 nan 8.360 nan 0.000 0.452 1239 M N 0.546 119.830 119.600 -0.527 0.000 2.175 1239 M HA -0.097 4.379 4.480 -0.006 0.000 0.264 1239 M C 1.985 178.138 176.300 -0.245 0.000 1.063 1239 M CA 1.421 56.545 55.300 -0.293 0.000 1.119 1239 M CB -0.738 31.788 32.600 -0.125 0.000 1.377 1239 M HN 0.197 nan 8.290 nan 0.000 0.415 1240 E N 0.300 120.335 120.200 -0.275 0.000 2.106 1240 E HA -0.179 4.167 4.350 -0.006 0.000 0.192 1240 E C 2.000 178.471 176.600 -0.216 0.000 0.984 1240 E CA 0.768 57.048 56.400 -0.199 0.000 0.806 1240 E CB -0.117 29.473 29.700 -0.183 0.000 0.750 1240 E HN 0.284 nan 8.360 nan 0.000 0.458 1241 L N 0.269 121.274 121.223 -0.363 0.000 2.017 1241 L HA -0.142 4.195 4.340 -0.006 0.000 0.208 1241 L C 1.935 178.735 176.870 -0.117 0.000 1.073 1241 L CA 1.684 56.329 54.840 -0.325 0.000 0.745 1241 L CB -0.509 41.211 42.059 -0.565 0.000 0.894 1241 L HN 0.113 nan 8.230 nan 0.000 0.432 1242 F N -0.205 119.614 119.950 -0.218 0.000 2.126 1242 F HA -0.255 4.269 4.527 -0.005 0.000 0.299 1242 F C 2.536 178.276 175.800 -0.099 0.000 1.096 1242 F CA 0.470 58.381 58.000 -0.147 0.000 1.255 1242 F CB -0.649 38.275 39.000 -0.126 0.000 0.997 1242 F HN 0.299 nan 8.300 nan 0.000 0.479 1243 A N 0.322 123.189 122.820 0.077 0.000 1.933 1243 A HA -0.117 4.199 4.320 -0.006 0.000 0.218 1243 A C 2.339 179.929 177.584 0.009 0.000 1.175 1243 A CA 1.665 53.719 52.037 0.030 0.000 0.628 1243 A CB -1.041 17.956 19.000 -0.005 0.000 0.814 1243 A HN 0.337 nan 8.150 nan 0.000 0.444 1244 A N -1.282 121.530 122.820 -0.013 0.000 1.898 1244 A HA -0.130 4.187 4.320 -0.006 0.000 0.216 1244 A C 2.112 179.692 177.584 -0.006 0.000 1.181 1244 A CA 1.475 53.501 52.037 -0.019 0.000 0.620 1244 A CB -0.407 18.568 19.000 -0.041 0.000 0.819 1244 A HN 0.476 nan 8.150 nan 0.000 0.442 1245 Q N -0.455 119.351 119.800 0.010 0.000 2.167 1245 Q HA -0.071 4.265 4.340 -0.006 0.000 0.202 1245 Q C 2.348 178.348 176.000 0.000 0.000 0.970 1245 Q CA 1.399 57.207 55.803 0.010 0.000 0.855 1245 Q CB -0.645 28.113 28.738 0.032 0.000 0.911 1245 Q HN 0.657 nan 8.270 nan 0.000 0.438 1246 A N 1.366 124.192 122.820 0.010 0.000 2.019 1246 A HA -0.189 4.127 4.320 -0.006 0.000 0.219 1246 A C 1.977 179.560 177.584 -0.001 0.000 1.164 1246 A CA 1.414 53.451 52.037 0.000 0.000 0.644 1246 A CB -0.236 18.773 19.000 0.015 0.000 0.805 1246 A HN 0.272 nan 8.150 nan 0.000 0.449 1247 K N -0.353 120.047 120.400 0.001 0.000 2.228 1247 K HA -0.052 4.264 4.320 -0.006 0.000 0.202 1247 K C 1.473 178.071 176.600 -0.005 0.000 1.051 1247 K CA 1.308 57.594 56.287 -0.000 0.000 0.960 1247 K CB -0.004 32.496 32.500 -0.001 0.000 0.743 1247 K HN 0.639 nan 8.250 nan 0.000 0.458 1248 E N 0.706 120.901 120.200 -0.009 0.000 2.364 1248 E HA -0.010 4.337 4.350 -0.006 0.000 0.196 1248 E C 0.609 177.196 176.600 -0.022 0.000 0.990 1248 E CA 0.153 56.545 56.400 -0.012 0.000 0.886 1248 E CB 0.542 30.235 29.700 -0.011 0.000 0.866 1248 E HN 0.092 nan 8.360 nan 0.000 0.493 1249 V N -1.000 118.894 119.914 -0.034 0.000 2.966 1249 V HA 0.259 4.375 4.120 -0.006 0.000 0.317 1249 V C 0.275 176.322 176.094 -0.079 0.000 1.070 1249 V CA -0.688 61.574 62.300 -0.064 0.000 1.008 1249 V CB 1.929 33.706 31.823 -0.077 0.000 1.070 1249 V HN -0.151 nan 8.190 nan 0.000 0.457 1250 D N 0.841 121.153 120.400 -0.145 0.000 2.324 1250 D HA 0.247 4.884 4.640 -0.006 0.000 0.212 1250 D C 0.234 176.339 176.300 -0.326 0.000 0.984 1250 D CA 1.065 54.944 54.000 -0.203 0.000 0.885 1250 D CB 0.793 41.420 40.800 -0.289 0.000 0.996 1250 D HN 0.387 nan 8.370 nan 0.000 0.505 1251 I N 1.680 122.047 120.570 -0.337 0.000 2.533 1251 I HA 0.372 4.538 4.170 -0.006 0.000 0.290 1251 I C -0.325 175.693 176.117 -0.164 0.000 1.056 1251 I CA -0.619 60.508 61.300 -0.287 0.000 1.057 1251 I CB 2.250 40.037 38.000 -0.355 0.000 1.240 1251 I HN -0.227 nan 8.210 nan 0.000 0.423 1252 I N 5.808 126.307 120.570 -0.118 0.000 2.406 1252 I HA 0.468 4.635 4.170 -0.006 0.000 0.290 1252 I C -0.498 175.574 176.117 -0.075 0.000 0.999 1252 I CA -0.904 60.337 61.300 -0.099 0.000 1.124 1252 I CB 2.353 40.289 38.000 -0.107 0.000 1.289 1252 I HN 0.127 nan 8.210 nan 0.000 0.441 1253 V N 4.616 124.494 119.914 -0.060 0.000 2.448 1253 V HA 0.442 4.559 4.120 -0.006 0.000 0.295 1253 V C -0.070 175.997 176.094 -0.045 0.000 1.025 1253 V CA -0.400 61.879 62.300 -0.036 0.000 0.859 1253 V CB 1.763 33.584 31.823 -0.004 0.000 0.988 1253 V HN 0.740 nan 8.190 nan 0.000 0.431 1254 T N 2.634 117.162 114.554 -0.043 0.000 2.841 1254 T HA 0.514 4.861 4.350 -0.006 0.000 0.285 1254 T C 0.421 175.114 174.700 -0.013 0.000 0.991 1254 T CA 0.265 62.334 62.100 -0.052 0.000 0.966 1254 T CB 1.171 69.987 68.868 -0.087 0.000 0.962 1254 T HN 0.966 nan 8.240 nan 0.000 0.438 1255 T N 1.109 115.668 114.554 0.008 0.000 3.209 1255 T HA 0.501 4.848 4.350 -0.006 0.000 0.295 1255 T C 0.527 175.253 174.700 0.043 0.000 0.977 1255 T CA -0.092 62.026 62.100 0.029 0.000 0.922 1255 T CB 0.164 69.057 68.868 0.042 0.000 1.152 1255 T HN 0.639 nan 8.240 nan 0.000 0.527 1256 A N 1.921 124.770 122.820 0.049 0.000 2.350 1256 A HA 0.743 5.059 4.320 -0.006 0.000 0.293 1256 A C -0.511 177.106 177.584 0.055 0.000 1.231 1256 A CA -0.405 51.673 52.037 0.069 0.000 0.883 1256 A CB -0.031 19.032 19.000 0.104 0.000 1.133 1256 A HN 0.714 nan 8.150 nan 0.000 0.533 1257 L N 2.157 123.412 121.223 0.053 0.000 2.591 1257 L HA 0.480 4.817 4.340 -0.006 0.000 0.257 1257 L C 0.107 177.004 176.870 0.045 0.000 0.935 1257 L CA -0.283 54.580 54.840 0.039 0.000 0.873 1257 L CB 1.074 43.150 42.059 0.028 0.000 1.397 1257 L HN 0.739 nan 8.230 nan 0.000 0.414 1258 I N 3.802 124.393 120.570 0.035 0.000 6.133 1258 I HA -0.248 3.919 4.170 -0.006 0.000 0.126 1258 I C -1.020 175.133 176.117 0.061 0.000 1.819 1258 I CA 0.204 61.532 61.300 0.046 0.000 2.061 1258 I CB -0.562 37.475 38.000 0.062 0.000 3.437 1258 I HN 0.749 nan 8.210 nan 0.000 0.177 1259 P HA -0.176 nan 4.420 nan 0.000 0.219 1259 P C 0.924 178.257 177.300 0.054 0.000 1.161 1259 P CA 2.239 65.370 63.100 0.050 0.000 0.909 1259 P CB 0.018 31.743 31.700 0.041 0.000 0.793 1260 G N -2.046 106.784 108.800 0.051 0.000 4.003 1260 G HA2 0.304 4.260 3.960 -0.006 0.000 0.234 1260 G HA3 0.304 4.260 3.960 -0.006 0.000 0.234 1260 G C -0.722 174.203 174.900 0.041 0.000 3.841 1260 G CA -0.377 44.758 45.100 0.058 0.000 0.584 1260 G HN 0.396 nan 8.290 nan 0.000 0.240 1261 K N 0.253 120.669 120.400 0.027 0.000 2.675 1261 K HA 0.459 4.775 4.320 -0.006 0.000 0.280 1261 K C -2.940 173.662 176.600 0.003 0.000 0.993 1261 K CA -1.216 55.081 56.287 0.017 0.000 0.863 1261 K CB 2.035 34.548 32.500 0.023 0.000 1.438 1261 K HN 0.029 nan 8.250 nan 0.000 0.389 1262 P HA 0.002 nan 4.420 nan 0.000 0.265 1262 P C -1.175 176.125 177.300 0.001 0.000 1.187 1262 P CA -0.019 63.076 63.100 -0.009 0.000 0.766 1262 P CB 0.544 32.238 31.700 -0.010 0.000 0.820 1263 A N 5.294 128.112 122.820 -0.003 0.000 2.520 1263 A HA 0.294 4.611 4.320 -0.006 0.000 0.245 1263 A C -1.869 175.725 177.584 0.017 0.000 1.072 1263 A CA -0.937 51.106 52.037 0.008 0.000 0.761 1263 A CB -0.979 18.021 19.000 -0.000 0.000 1.004 1263 A HN 0.405 nan 8.150 nan 0.000 0.499 1264 P HA 0.126 nan 4.420 nan 0.000 0.271 1264 P C -0.906 176.421 177.300 0.046 0.000 1.226 1264 P CA -0.266 62.863 63.100 0.048 0.000 0.765 1264 P CB 0.613 32.360 31.700 0.078 0.000 0.835 1265 K N 4.108 124.527 120.400 0.031 0.000 2.294 1265 K HA 0.142 4.459 4.320 -0.006 0.000 0.288 1265 K C 0.999 177.635 176.600 0.060 0.000 1.072 1265 K CA 0.009 56.309 56.287 0.023 0.000 0.960 1265 K CB -0.247 32.250 32.500 -0.005 0.000 1.043 1265 K HN 0.524 nan 8.250 nan 0.000 0.455 1266 L N 1.805 123.077 121.223 0.082 0.000 2.463 1266 L HA 0.195 4.532 4.340 -0.006 0.000 0.219 1266 L C 0.403 177.359 176.870 0.144 0.000 1.088 1266 L CA 0.269 55.214 54.840 0.175 0.000 0.849 1266 L CB 0.293 42.485 42.059 0.221 0.000 1.012 1266 L HN 0.386 nan 8.230 nan 0.000 0.468 1267 I N 0.889 121.482 120.570 0.038 0.000 2.411 1267 I HA 0.202 4.369 4.170 -0.006 0.000 0.284 1267 I C 0.425 176.544 176.117 0.003 0.000 1.012 1267 I CA -0.098 61.212 61.300 0.017 0.000 1.119 1267 I CB 1.200 39.182 38.000 -0.030 0.000 1.261 1267 I HN 0.040 nan 8.210 nan 0.000 0.448 1268 T N 2.723 117.279 114.554 0.003 0.000 2.862 1268 T HA 0.421 4.768 4.350 -0.006 0.000 0.276 1268 T C 1.294 175.951 174.700 -0.071 0.000 0.974 1268 T CA -0.541 61.530 62.100 -0.047 0.000 0.966 1268 T CB 1.616 70.464 68.868 -0.033 0.000 1.072 1268 T HN 0.534 nan 8.240 nan 0.000 0.538 1269 R N -0.023 120.361 120.500 -0.194 0.000 2.127 1269 R HA -0.104 4.233 4.340 -0.006 0.000 0.238 1269 R C 2.406 178.708 176.300 0.004 0.000 1.134 1269 R CA 1.796 57.725 56.100 -0.285 0.000 0.975 1269 R CB -0.277 29.722 30.300 -0.502 0.000 0.865 1269 R HN 0.863 nan 8.270 nan 0.000 0.447 1270 E N 0.538 120.733 120.200 -0.009 0.000 2.107 1270 E HA -0.121 4.226 4.350 -0.006 0.000 0.191 1270 E C 1.914 178.543 176.600 0.048 0.000 0.982 1270 E CA 0.866 57.283 56.400 0.028 0.000 0.809 1270 E CB 0.112 29.814 29.700 0.004 0.000 0.756 1270 E HN 0.219 nan 8.360 nan 0.000 0.459 1271 M N -0.238 119.388 119.600 0.043 0.000 2.117 1271 M HA -0.163 4.313 4.480 -0.006 0.000 0.262 1271 M C 2.183 178.526 176.300 0.073 0.000 1.065 1271 M CA 1.109 56.439 55.300 0.050 0.000 1.114 1271 M CB -0.035 32.593 32.600 0.047 0.000 1.361 1271 M HN 0.076 nan 8.290 nan 0.000 0.408 1272 V N 0.219 120.209 119.914 0.126 0.000 2.358 1272 V HA -0.240 3.876 4.120 -0.006 0.000 0.246 1272 V C 1.648 177.821 176.094 0.132 0.000 1.047 1272 V CA 1.706 64.101 62.300 0.158 0.000 1.035 1272 V CB -0.799 31.212 31.823 0.312 0.000 0.658 1272 V HN 0.392 nan 8.190 nan 0.000 0.452 1273 D N 0.688 121.191 120.400 0.172 0.000 2.218 1273 D HA -0.125 4.511 4.640 -0.006 0.000 0.204 1273 D C 2.356 178.694 176.300 0.064 0.000 0.976 1273 D CA 1.710 55.781 54.000 0.118 0.000 0.853 1273 D CB -0.170 40.709 40.800 0.131 0.000 0.939 1273 D HN 0.629 nan 8.370 nan 0.000 0.481 1274 S N -0.690 115.043 115.700 0.055 0.000 2.489 1274 S HA -0.001 4.466 4.470 -0.006 0.000 0.228 1274 S C 1.089 175.703 174.600 0.023 0.000 0.995 1274 S CA -0.070 58.150 58.200 0.033 0.000 0.934 1274 S CB -0.107 63.109 63.200 0.026 0.000 0.771 1274 S HN 0.081 nan 8.310 nan 0.000 0.522 1275 M N 2.273 121.888 119.600 0.026 0.000 2.228 1275 M HA 0.254 4.731 4.480 -0.006 0.000 0.326 1275 M C 0.123 176.431 176.300 0.013 0.000 1.122 1275 M CA -0.391 54.918 55.300 0.015 0.000 1.161 1275 M CB 0.568 33.175 32.600 0.013 0.000 1.437 1275 M HN 0.112 nan 8.290 nan 0.000 0.465 1276 K N 1.247 121.656 120.400 0.014 0.000 2.485 1276 K HA 0.361 4.678 4.320 -0.006 0.000 0.277 1276 K C -0.086 176.526 176.600 0.020 0.000 0.990 1276 K CA -0.482 55.815 56.287 0.016 0.000 0.994 1276 K CB -0.161 32.353 32.500 0.024 0.000 0.906 1276 K HN 0.699 nan 8.250 nan 0.000 0.488 1277 A N 1.885 124.710 122.820 0.007 0.000 2.540 1277 A HA 0.336 4.652 4.320 -0.006 0.000 0.239 1277 A C 1.408 179.001 177.584 0.015 0.000 1.061 1277 A CA 0.614 52.650 52.037 -0.002 0.000 0.758 1277 A CB -0.784 18.204 19.000 -0.019 0.000 0.991 1277 A HN 1.075 nan 8.150 nan 0.000 0.502 1278 G N 1.722 110.534 108.800 0.020 0.000 2.176 1278 G HA2 -0.209 3.747 3.960 -0.006 0.000 0.253 1278 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.253 1278 G C 0.529 175.546 174.900 0.195 0.000 0.979 1278 G CA 0.385 45.520 45.100 0.059 0.000 0.641 1278 G HN 1.214 nan 8.290 nan 0.000 0.530 1279 S N -0.889 114.893 115.700 0.138 0.000 2.584 1279 S HA 0.524 4.991 4.470 -0.006 0.000 0.270 1279 S C 0.432 175.070 174.600 0.064 0.000 1.346 1279 S CA 0.158 58.423 58.200 0.108 0.000 1.018 1279 S CB 2.077 65.292 63.200 0.026 0.000 0.899 1279 S HN 0.821 nan 8.310 nan 0.000 0.542 1280 V N 2.455 122.356 119.914 -0.022 0.000 2.656 1280 V HA 0.476 4.593 4.120 -0.006 0.000 0.307 1280 V C -0.464 175.596 176.094 -0.057 0.000 1.051 1280 V CA -0.570 61.715 62.300 -0.024 0.000 0.893 1280 V CB 1.595 33.420 31.823 0.003 0.000 0.999 1280 V HN 0.713 nan 8.190 nan 0.000 0.426 1281 I N 4.410 124.959 120.570 -0.036 0.000 2.389 1281 I HA 0.443 4.610 4.170 -0.006 0.000 0.288 1281 I C -0.672 175.417 176.117 -0.046 0.000 0.999 1281 I CA -0.793 60.483 61.300 -0.040 0.000 1.129 1281 I CB 1.968 39.957 38.000 -0.017 0.000 1.288 1281 I HN 0.281 nan 8.210 nan 0.000 0.444 1282 V N 4.701 124.587 119.914 -0.047 0.000 2.350 1282 V HA 0.228 4.344 4.120 -0.006 0.000 0.276 1282 V C -0.221 175.849 176.094 -0.041 0.000 1.028 1282 V CA -0.453 61.816 62.300 -0.051 0.000 0.860 1282 V CB 1.480 33.284 31.823 -0.031 0.000 0.990 1282 V HN 0.615 nan 8.190 nan 0.000 0.453 1283 D N 4.419 124.791 120.400 -0.046 0.000 2.485 1283 D HA 0.299 4.935 4.640 -0.006 0.000 0.229 1283 D C 0.525 176.816 176.300 -0.016 0.000 1.101 1283 D CA -0.409 53.573 54.000 -0.030 0.000 0.906 1283 D CB 1.478 42.261 40.800 -0.028 0.000 1.019 1283 D HN 0.301 nan 8.370 nan 0.000 0.516 1284 L N 2.620 123.842 121.223 -0.003 0.000 2.551 1284 L HA 0.134 4.470 4.340 -0.006 0.000 0.228 1284 L C 2.024 178.899 176.870 0.008 0.000 1.153 1284 L CA 0.650 55.498 54.840 0.013 0.000 0.851 1284 L CB -0.263 41.811 42.059 0.026 0.000 0.959 1284 L HN 0.472 nan 8.230 nan 0.000 0.451 1285 A N -1.081 121.740 122.820 0.000 0.000 2.415 1285 A HA 0.456 4.772 4.320 -0.006 0.000 0.248 1285 A C 2.240 179.815 177.584 -0.014 0.000 1.299 1285 A CA 0.613 52.648 52.037 -0.004 0.000 0.899 1285 A CB -0.457 18.544 19.000 0.002 0.000 0.997 1285 A HN 0.248 nan 8.150 nan 0.000 0.506 1286 A N 0.651 123.464 122.820 -0.012 0.000 1.940 1286 A HA -0.212 4.105 4.320 -0.006 0.000 0.219 1286 A C 2.099 179.668 177.584 -0.025 0.000 1.176 1286 A CA 1.614 53.642 52.037 -0.015 0.000 0.631 1286 A CB -0.370 18.629 19.000 -0.002 0.000 0.814 1286 A HN 0.666 nan 8.150 nan 0.000 0.446 1287 Q N 0.169 119.948 119.800 -0.035 0.000 2.364 1287 Q HA -0.113 4.224 4.340 -0.006 0.000 0.209 1287 Q C 0.139 176.093 176.000 -0.077 0.000 0.977 1287 Q CA 1.499 57.265 55.803 -0.062 0.000 0.885 1287 Q CB -0.806 27.877 28.738 -0.092 0.000 0.941 1287 Q HN 0.839 nan 8.270 nan 0.000 0.464 1288 N N 0.123 118.786 118.700 -0.061 0.000 2.458 1288 N HA 0.298 5.035 4.740 -0.006 0.000 0.274 1288 N C 0.005 175.491 175.510 -0.040 0.000 1.242 1288 N CA 0.138 53.154 53.050 -0.057 0.000 0.904 1288 N CB 1.010 39.465 38.487 -0.053 0.000 1.206 1288 N HN 0.434 nan 8.380 nan 0.000 0.510 1289 G N 0.730 109.507 108.800 -0.038 0.000 2.179 1289 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.260 1289 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.260 1289 G C 0.473 175.354 174.900 -0.031 0.000 0.977 1289 G CA -0.028 45.051 45.100 -0.035 0.000 0.641 1289 G HN 0.769 nan 8.290 nan 0.000 0.533 1290 G N -0.882 107.903 108.800 -0.024 0.000 2.731 1290 G HA2 -0.022 3.934 3.960 -0.006 0.000 0.686 1290 G HA3 -0.022 3.934 3.960 -0.006 0.000 0.686 1290 G C 0.283 175.174 174.900 -0.015 0.000 1.395 1290 G CA 0.352 45.440 45.100 -0.020 0.000 0.870 1290 G HN 0.821 nan 8.290 nan 0.000 0.591 1291 N N -0.939 117.755 118.700 -0.011 0.000 2.463 1291 N HA 0.009 4.746 4.740 -0.006 0.000 0.181 1291 N C 0.832 176.334 175.510 -0.015 0.000 1.078 1291 N CA 1.156 54.203 53.050 -0.006 0.000 0.902 1291 N CB 0.148 38.628 38.487 -0.011 0.000 0.970 1291 N HN 0.732 nan 8.380 nan 0.000 0.451 1292 C N 0.751 120.039 119.300 -0.020 0.000 2.382 1292 C HA 0.282 4.739 4.460 -0.006 0.000 0.327 1292 C C 1.726 176.693 174.990 -0.038 0.000 1.250 1292 C CA -0.666 58.343 59.018 -0.015 0.000 1.707 1292 C CB 0.676 28.423 27.740 0.011 0.000 2.272 1292 C HN 0.365 nan 8.230 nan 0.000 0.506 1293 E N 1.766 121.918 120.200 -0.080 0.000 2.208 1293 E HA -0.115 4.231 4.350 -0.006 0.000 0.193 1293 E C 0.324 176.786 176.600 -0.230 0.000 0.988 1293 E CA 1.348 57.647 56.400 -0.169 0.000 0.828 1293 E CB 0.074 29.629 29.700 -0.242 0.000 0.763 1293 E HN 0.851 nan 8.360 nan 0.000 0.478 1294 Y N 0.639 120.862 120.300 -0.128 0.000 2.490 1294 Y HA 0.050 4.598 4.550 -0.004 0.000 0.281 1294 Y C 0.661 176.399 175.900 -0.271 0.000 1.174 1294 Y CA 0.319 58.275 58.100 -0.240 0.000 1.295 1294 Y CB 0.246 38.645 38.460 -0.102 0.000 1.062 1294 Y HN -0.219 nan 8.280 nan 0.000 0.522 1295 T N 1.067 115.608 114.554 -0.023 0.000 2.870 1295 T HA 0.247 4.593 4.350 -0.006 0.000 0.300 1295 T C -0.160 174.499 174.700 -0.069 0.000 0.989 1295 T CA -0.009 62.075 62.100 -0.026 0.000 1.139 1295 T CB 0.815 69.672 68.868 -0.019 0.000 0.920 1295 T HN -0.250 nan 8.240 nan 0.000 0.537 1296 V N 7.969 127.863 119.914 -0.032 0.000 2.293 1296 V HA 0.266 4.382 4.120 -0.006 0.000 0.275 1296 V C -2.138 173.969 176.094 0.021 0.000 1.021 1296 V CA -2.147 60.145 62.300 -0.013 0.000 0.815 1296 V CB 0.990 32.835 31.823 0.037 0.000 1.025 1296 V HN 0.704 nan 8.190 nan 0.000 0.448 1297 P HA 0.144 nan 4.420 nan 0.000 0.264 1297 P C 1.056 178.389 177.300 0.055 0.000 1.183 1297 P CA 1.460 64.573 63.100 0.022 0.000 0.763 1297 P CB 0.555 32.256 31.700 0.001 0.000 0.807 1298 G N 1.334 110.191 108.800 0.096 0.000 2.162 1298 G HA2 -0.238 3.719 3.960 -0.006 0.000 0.260 1298 G HA3 -0.238 3.719 3.960 -0.006 0.000 0.260 1298 G C -0.023 175.008 174.900 0.219 0.000 0.976 1298 G CA -0.027 45.161 45.100 0.147 0.000 0.655 1298 G HN 0.570 nan 8.290 nan 0.000 0.533 1299 E N -1.212 119.101 120.200 0.188 0.000 2.449 1299 E HA 0.596 4.943 4.350 -0.006 0.000 0.278 1299 E C -0.409 176.224 176.600 0.056 0.000 0.992 1299 E CA -1.112 55.397 56.400 0.182 0.000 0.807 1299 E CB 1.709 31.495 29.700 0.142 0.000 1.350 1299 E HN 0.178 nan 8.360 nan 0.000 0.462 1300 I N 1.889 122.495 120.570 0.062 0.000 2.331 1300 I HA 0.291 4.458 4.170 -0.006 0.000 0.292 1300 I C -0.679 175.493 176.117 0.092 0.000 0.998 1300 I CA -0.438 60.864 61.300 0.002 0.000 1.267 1300 I CB 0.447 38.436 38.000 -0.019 0.000 1.386 1300 I HN 0.328 nan 8.210 nan 0.000 0.476 1301 F N 5.305 125.223 119.950 -0.053 0.000 2.458 1301 F HA 0.435 4.959 4.527 -0.004 0.000 0.336 1301 F C -0.072 175.671 175.800 -0.096 0.000 1.114 1301 F CA -0.222 57.747 58.000 -0.051 0.000 0.987 1301 F CB 1.516 40.501 39.000 -0.026 0.000 1.130 1301 F HN 0.287 nan 8.300 nan 0.000 0.458 1302 T N 4.600 118.734 114.554 -0.699 0.000 2.743 1302 T HA 0.280 4.627 4.350 -0.006 0.000 0.292 1302 T C 0.104 174.360 174.700 -0.741 0.000 0.972 1302 T CA -0.556 61.233 62.100 -0.517 0.000 0.967 1302 T CB 0.672 69.341 68.868 -0.330 0.000 0.926 1302 T HN 0.757 nan 8.240 nan 0.000 0.459 1303 T N 1.151 115.429 114.554 -0.461 0.000 2.748 1303 T HA 0.159 4.506 4.350 -0.006 0.000 0.304 1303 T C 1.273 175.819 174.700 -0.256 0.000 1.041 1303 T CA -0.430 61.432 62.100 -0.395 0.000 1.033 1303 T CB 0.757 69.377 68.868 -0.413 0.000 0.995 1303 T HN 0.597 nan 8.240 nan 0.000 0.536 1304 E N 0.866 120.976 120.200 -0.150 0.000 2.204 1304 E HA -0.143 4.204 4.350 -0.006 0.000 0.194 1304 E C 1.862 178.420 176.600 -0.071 0.000 0.989 1304 E CA 1.018 57.366 56.400 -0.087 0.000 0.824 1304 E CB -0.070 29.618 29.700 -0.020 0.000 0.756 1304 E HN 0.765 nan 8.360 nan 0.000 0.477 1305 N N -0.415 118.248 118.700 -0.062 0.000 2.383 1305 N HA -0.019 4.718 4.740 -0.006 0.000 0.192 1305 N C 0.837 176.315 175.510 -0.054 0.000 1.141 1305 N CA 0.968 53.992 53.050 -0.042 0.000 0.851 1305 N CB 0.905 39.384 38.487 -0.014 0.000 0.976 1305 N HN 0.151 nan 8.380 nan 0.000 0.465 1306 G N -0.375 108.374 108.800 -0.086 0.000 2.130 1306 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.216 1306 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.216 1306 G C -0.531 174.330 174.900 -0.065 0.000 0.999 1306 G CA 0.074 45.127 45.100 -0.080 0.000 0.686 1306 G HN 0.261 nan 8.290 nan 0.000 0.515 1307 V N 0.668 120.532 119.914 -0.082 0.000 2.407 1307 V HA 0.425 4.542 4.120 -0.006 0.000 0.278 1307 V C 0.608 176.660 176.094 -0.071 0.000 1.037 1307 V CA -0.515 61.754 62.300 -0.053 0.000 0.900 1307 V CB 1.561 33.359 31.823 -0.041 0.000 0.983 1307 V HN 0.307 nan 8.190 nan 0.000 0.459 1308 K N 3.798 124.176 120.400 -0.036 0.000 2.285 1308 K HA 0.486 4.802 4.320 -0.006 0.000 0.286 1308 K C -0.832 175.757 176.600 -0.018 0.000 1.072 1308 K CA -0.320 55.945 56.287 -0.037 0.000 0.913 1308 K CB 1.451 33.941 32.500 -0.018 0.000 1.067 1308 K HN 0.470 nan 8.250 nan 0.000 0.479 1309 V N 6.066 125.985 119.914 0.009 0.000 2.294 1309 V HA 0.249 4.365 4.120 -0.006 0.000 0.272 1309 V C 0.002 176.078 176.094 -0.029 0.000 1.027 1309 V CA -0.671 61.645 62.300 0.027 0.000 0.823 1309 V CB 0.386 32.279 31.823 0.117 0.000 1.030 1309 V HN 0.654 nan 8.190 nan 0.000 0.457 1310 I N 4.160 124.661 120.570 -0.115 0.000 2.337 1310 I HA 0.368 4.534 4.170 -0.006 0.000 0.291 1310 I C 1.238 177.201 176.117 -0.257 0.000 1.046 1310 I CA 0.316 61.438 61.300 -0.296 0.000 1.324 1310 I CB 1.161 38.941 38.000 -0.366 0.000 1.409 1310 I HN 0.684 nan 8.210 nan 0.000 0.494 1311 G N 5.896 114.543 108.800 -0.255 0.000 3.899 1311 G HA2 0.154 4.111 3.960 -0.006 0.000 0.293 1311 G HA3 0.154 4.111 3.960 -0.006 0.000 0.293 1311 G C -0.034 174.868 174.900 0.003 0.000 1.054 1311 G CA -0.234 44.809 45.100 -0.096 0.000 0.846 1311 G HN 0.351 nan 8.290 nan 0.000 0.525 1312 Y N 1.420 121.732 120.300 0.020 0.000 2.811 1312 Y HA 0.114 4.660 4.550 -0.007 0.000 0.334 1312 Y C 1.882 177.781 175.900 -0.002 0.000 1.247 1312 Y CA 0.236 58.342 58.100 0.009 0.000 1.526 1312 Y CB 0.509 38.975 38.460 0.011 0.000 1.284 1312 Y HN 0.158 nan 8.280 nan 0.000 0.586 1313 T N -2.957 111.690 114.554 0.155 0.000 3.085 1313 T HA 0.094 4.440 4.350 -0.006 0.000 0.264 1313 T C -0.022 174.697 174.700 0.031 0.000 1.019 1313 T CA 0.056 62.192 62.100 0.060 0.000 0.910 1313 T CB -0.162 68.716 68.868 0.018 0.000 1.059 1313 T HN 0.605 nan 8.240 nan 0.000 0.542 1314 D N 0.800 121.227 120.400 0.046 0.000 2.945 1314 D HA 0.201 4.838 4.640 -0.006 0.000 0.366 1314 D C 1.109 177.416 176.300 0.012 0.000 1.352 1314 D CA -0.572 53.429 54.000 0.001 0.000 0.810 1314 D CB -0.470 40.311 40.800 -0.031 0.000 1.170 1314 D HN 0.276 nan 8.370 nan 0.000 0.461 1315 L N -0.109 121.147 121.223 0.055 0.000 2.042 1315 L HA -0.049 4.288 4.340 -0.006 0.000 0.210 1315 L C -0.537 176.364 176.870 0.052 0.000 1.076 1315 L CA 1.491 56.376 54.840 0.073 0.000 0.749 1315 L CB -1.282 40.839 42.059 0.103 0.000 0.893 1315 L HN 0.139 nan 8.230 nan 0.000 0.432 1316 P HA -0.125 nan 4.420 nan 0.000 0.217 1316 P C 1.519 178.833 177.300 0.024 0.000 1.150 1316 P CA 1.632 64.757 63.100 0.041 0.000 0.832 1316 P CB -0.175 31.543 31.700 0.030 0.000 0.787 1317 G N -0.321 108.479 108.800 0.001 0.000 2.509 1317 G HA2 -0.199 3.757 3.960 -0.006 0.000 0.218 1317 G HA3 -0.199 3.757 3.960 -0.006 0.000 0.218 1317 G C 1.455 176.339 174.900 -0.025 0.000 1.124 1317 G CA 0.172 45.265 45.100 -0.012 0.000 0.776 1317 G HN 0.268 nan 8.290 nan 0.000 0.547 1318 R N -1.131 119.353 120.500 -0.027 0.000 2.310 1318 R HA 0.253 4.589 4.340 -0.006 0.000 0.202 1318 R C 0.109 176.406 176.300 -0.003 0.000 0.933 1318 R CA -0.092 55.983 56.100 -0.041 0.000 1.054 1318 R CB 0.176 30.435 30.300 -0.068 0.000 0.985 1318 R HN 0.228 nan 8.270 nan 0.000 0.489 1319 L N 1.573 122.811 121.223 0.025 0.000 2.784 1319 L HA 0.285 4.622 4.340 -0.006 0.000 0.241 1319 L C -2.033 174.851 176.870 0.023 0.000 1.352 1319 L CA -1.932 52.931 54.840 0.038 0.000 0.911 1319 L CB 1.323 43.433 42.059 0.085 0.000 1.227 1319 L HN -0.151 nan 8.230 nan 0.000 0.501 1320 P HA -0.102 nan 4.420 nan 0.000 0.217 1320 P C 1.208 178.530 177.300 0.036 0.000 1.150 1320 P CA 1.260 64.370 63.100 0.016 0.000 0.832 1320 P CB 0.213 31.908 31.700 -0.009 0.000 0.787 1321 T N -0.076 114.458 114.554 -0.034 0.000 2.708 1321 T HA -0.174 4.173 4.350 -0.006 0.000 0.266 1321 T C 2.058 176.820 174.700 0.102 0.000 1.037 1321 T CA 1.585 63.654 62.100 -0.051 0.000 1.146 1321 T CB -0.706 68.037 68.868 -0.208 0.000 0.865 1321 T HN 0.107 nan 8.240 nan 0.000 0.435 1322 Q N 1.100 120.928 119.800 0.048 0.000 2.079 1322 Q HA -0.011 4.325 4.340 -0.006 0.000 0.200 1322 Q C 2.488 178.541 176.000 0.089 0.000 0.974 1322 Q CA 1.498 57.332 55.803 0.050 0.000 0.840 1322 Q CB -0.502 28.227 28.738 -0.016 0.000 0.898 1322 Q HN 0.408 nan 8.270 nan 0.000 0.430 1323 S N -0.442 115.315 115.700 0.095 0.000 2.382 1323 S HA -0.108 4.359 4.470 -0.006 0.000 0.228 1323 S C 1.989 176.702 174.600 0.189 0.000 1.027 1323 S CA 1.164 59.439 58.200 0.124 0.000 0.991 1323 S CB -0.259 62.996 63.200 0.092 0.000 0.823 1323 S HN 0.372 nan 8.310 nan 0.000 0.469 1324 S N 1.220 117.047 115.700 0.212 0.000 2.387 1324 S HA -0.108 4.359 4.470 -0.006 0.000 0.226 1324 S C 1.988 176.725 174.600 0.229 0.000 1.026 1324 S CA 1.119 59.483 58.200 0.274 0.000 0.972 1324 S CB -0.308 63.111 63.200 0.365 0.000 0.814 1324 S HN 0.447 nan 8.310 nan 0.000 0.477 1325 Q N 1.578 121.498 119.800 0.201 0.000 2.046 1325 Q HA 0.058 4.395 4.340 -0.006 0.000 0.200 1325 Q C 1.903 177.951 176.000 0.080 0.000 0.975 1325 Q CA 1.451 57.322 55.803 0.114 0.000 0.836 1325 Q CB -0.484 28.328 28.738 0.122 0.000 0.896 1325 Q HN 0.511 nan 8.270 nan 0.000 0.428 1326 L N -0.869 120.416 121.223 0.103 0.000 2.044 1326 L HA -0.117 4.220 4.340 -0.006 0.000 0.205 1326 L C 2.318 179.253 176.870 0.109 0.000 1.075 1326 L CA 1.348 56.240 54.840 0.087 0.000 0.747 1326 L CB -0.858 41.254 42.059 0.089 0.000 0.903 1326 L HN 0.277 nan 8.230 nan 0.000 0.435 1327 Y N 1.540 121.873 120.300 0.055 0.000 2.114 1327 Y HA -0.239 4.308 4.550 -0.006 0.000 0.282 1327 Y C 2.368 178.271 175.900 0.006 0.000 1.165 1327 Y CA 1.629 59.758 58.100 0.049 0.000 1.148 1327 Y CB -0.739 37.779 38.460 0.097 0.000 0.972 1327 Y HN 0.081 nan 8.280 nan 0.000 0.504 1328 G N -1.666 107.112 108.800 -0.036 0.000 2.432 1328 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.219 1328 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.219 1328 G C 1.635 176.440 174.900 -0.159 0.000 1.135 1328 G CA 1.402 46.418 45.100 -0.140 0.000 0.767 1328 G HN 0.445 nan 8.290 nan 0.000 0.550 1329 T N 0.965 115.462 114.554 -0.096 0.000 2.777 1329 T HA -0.113 4.233 4.350 -0.006 0.000 0.266 1329 T C 2.201 176.833 174.700 -0.113 0.000 1.040 1329 T CA 1.267 63.317 62.100 -0.083 0.000 1.141 1329 T CB -0.365 68.480 68.868 -0.039 0.000 0.868 1329 T HN 0.455 nan 8.240 nan 0.000 0.444 1330 N N 1.003 119.621 118.700 -0.137 0.000 2.091 1330 N HA -0.082 4.655 4.740 -0.006 0.000 0.193 1330 N C 1.726 177.098 175.510 -0.231 0.000 1.021 1330 N CA 1.034 53.985 53.050 -0.165 0.000 0.862 1330 N CB -0.363 38.023 38.487 -0.168 0.000 1.018 1330 N HN 0.305 nan 8.380 nan 0.000 0.429 1331 L N 0.158 121.178 121.223 -0.339 0.000 2.072 1331 L HA -0.083 4.254 4.340 -0.006 0.000 0.205 1331 L C 2.203 178.950 176.870 -0.205 0.000 1.079 1331 L CA 0.617 55.263 54.840 -0.323 0.000 0.752 1331 L CB -0.510 41.305 42.059 -0.406 0.000 0.906 1331 L HN 0.068 nan 8.230 nan 0.000 0.436 1332 V N 0.500 120.316 119.914 -0.163 0.000 2.332 1332 V HA -0.290 3.826 4.120 -0.006 0.000 0.248 1332 V C 2.227 178.281 176.094 -0.066 0.000 1.055 1332 V CA 1.905 64.146 62.300 -0.099 0.000 1.038 1332 V CB -0.688 31.092 31.823 -0.071 0.000 0.651 1332 V HN 0.506 nan 8.190 nan 0.000 0.450 1333 N N -0.104 118.552 118.700 -0.073 0.000 2.244 1333 N HA -0.114 4.623 4.740 -0.006 0.000 0.183 1333 N C 1.615 177.096 175.510 -0.048 0.000 1.016 1333 N CA 1.108 54.128 53.050 -0.050 0.000 0.866 1333 N CB -0.415 38.043 38.487 -0.049 0.000 0.980 1333 N HN 0.419 nan 8.380 nan 0.000 0.430 1334 L N 0.931 122.108 121.223 -0.076 0.000 2.056 1334 L HA 0.042 4.378 4.340 -0.006 0.000 0.207 1334 L C 1.858 178.705 176.870 -0.039 0.000 1.078 1334 L CA 1.297 56.098 54.840 -0.066 0.000 0.749 1334 L CB -0.576 41.420 42.059 -0.106 0.000 0.901 1334 L HN 0.073 nan 8.230 nan 0.000 0.433 1335 L N -0.785 120.409 121.223 -0.048 0.000 2.275 1335 L HA -0.162 4.174 4.340 -0.006 0.000 0.215 1335 L C 2.433 179.346 176.870 0.072 0.000 1.119 1335 L CA 0.961 55.805 54.840 0.006 0.000 0.790 1335 L CB -0.476 41.555 42.059 -0.046 0.000 0.919 1335 L HN 0.265 nan 8.230 nan 0.000 0.443 1336 K N -0.433 119.989 120.400 0.038 0.000 2.217 1336 K HA -0.137 4.179 4.320 -0.006 0.000 0.202 1336 K C 1.947 178.564 176.600 0.028 0.000 1.051 1336 K CA 0.724 57.034 56.287 0.038 0.000 0.952 1336 K CB 0.035 32.545 32.500 0.017 0.000 0.736 1336 K HN 0.078 nan 8.250 nan 0.000 0.453 1337 L N 0.752 121.987 121.223 0.020 0.000 2.072 1337 L HA -0.083 4.253 4.340 -0.006 0.000 0.205 1337 L C 1.770 178.660 176.870 0.033 0.000 1.079 1337 L CA 1.592 56.444 54.840 0.021 0.000 0.752 1337 L CB -0.249 41.817 42.059 0.013 0.000 0.906 1337 L HN 0.128 nan 8.230 nan 0.000 0.436 1338 L N -2.243 119.007 121.223 0.045 0.000 2.492 1338 L HA -0.016 4.320 4.340 -0.006 0.000 0.223 1338 L C 0.708 177.620 176.870 0.071 0.000 1.132 1338 L CA 0.040 54.915 54.840 0.057 0.000 0.850 1338 L CB 0.024 42.119 42.059 0.061 0.000 0.966 1338 L HN 0.271 nan 8.230 nan 0.000 0.454 1339 C N 0.368 119.713 119.300 0.075 0.000 3.445 1339 C HA 0.216 4.673 4.460 -0.006 0.000 0.213 1339 C C 1.674 176.672 174.990 0.014 0.000 1.319 1339 C CA -0.792 58.258 59.018 0.054 0.000 1.402 1339 C CB -0.461 27.349 27.740 0.116 0.000 1.819 1339 C HN 0.312 nan 8.230 nan 0.000 0.491 1340 K N 0.391 120.793 120.400 0.004 0.000 2.148 1340 K HA -0.040 4.277 4.320 -0.006 0.000 0.204 1340 K C 1.419 178.007 176.600 -0.020 0.000 1.050 1340 K CA 1.175 57.459 56.287 -0.004 0.000 0.942 1340 K CB 0.258 32.757 32.500 -0.001 0.000 0.724 1340 K HN 0.629 nan 8.250 nan 0.000 0.446 1341 E N 0.850 121.030 120.200 -0.034 0.000 2.481 1341 E HA -0.027 4.320 4.350 -0.006 0.000 0.195 1341 E C -0.181 176.376 176.600 -0.071 0.000 1.047 1341 E CA 0.241 56.612 56.400 -0.048 0.000 0.867 1341 E CB 0.181 29.851 29.700 -0.050 0.000 0.858 1341 E HN 0.192 nan 8.360 nan 0.000 0.513 1342 K N 1.202 121.547 120.400 -0.092 0.000 3.117 1342 K HA -0.157 4.159 4.320 -0.006 0.000 0.269 1342 K C -0.306 176.184 176.600 -0.183 0.000 1.098 1342 K CA 0.956 57.166 56.287 -0.128 0.000 0.785 1342 K CB -1.302 31.153 32.500 -0.075 0.000 1.242 1342 K HN 0.169 nan 8.250 nan 0.000 0.491 1343 D N -0.811 119.453 120.400 -0.226 0.000 2.479 1343 D HA 0.198 4.835 4.640 -0.006 0.000 0.218 1343 D C 0.872 176.977 176.300 -0.326 0.000 1.177 1343 D CA 0.394 54.264 54.000 -0.217 0.000 0.830 1343 D CB 0.420 41.139 40.800 -0.135 0.000 1.014 1343 D HN 0.361 nan 8.370 nan 0.000 0.503 1344 G N 0.673 109.084 108.800 -0.648 0.000 2.149 1344 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.235 1344 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.235 1344 G C -0.400 174.216 174.900 -0.474 0.000 1.018 1344 G CA -0.256 44.227 45.100 -1.028 0.000 0.728 1344 G HN 0.456 nan 8.290 nan 0.000 0.508 1345 N N 0.125 118.652 118.700 -0.289 0.000 2.504 1345 N HA 0.412 5.148 4.740 -0.006 0.000 0.280 1345 N C -0.179 175.368 175.510 0.061 0.000 1.052 1345 N CA -0.669 52.362 53.050 -0.032 0.000 0.887 1345 N CB 0.899 39.350 38.487 -0.060 0.000 1.323 1345 N HN -0.010 nan 8.380 nan 0.000 0.509 1346 I N 2.352 123.002 120.570 0.133 0.000 2.496 1346 I HA 0.163 4.330 4.170 -0.006 0.000 0.285 1346 I C 0.677 176.825 176.117 0.051 0.000 1.080 1346 I CA 0.243 61.611 61.300 0.114 0.000 1.404 1346 I CB 0.525 38.585 38.000 0.101 0.000 1.403 1346 I HN 0.310 nan 8.210 nan 0.000 0.539 1347 T N 5.973 120.550 114.554 0.037 0.000 2.879 1347 T HA 0.419 4.765 4.350 -0.006 0.000 0.290 1347 T C -0.330 174.376 174.700 0.009 0.000 0.993 1347 T CA -0.419 61.688 62.100 0.010 0.000 0.975 1347 T CB 1.866 70.736 68.868 0.004 0.000 0.981 1347 T HN 0.177 nan 8.240 nan 0.000 0.439 1348 V N 3.755 123.656 119.914 -0.022 0.000 2.348 1348 V HA 0.359 4.475 4.120 -0.006 0.000 0.270 1348 V C -0.202 175.876 176.094 -0.027 0.000 1.037 1348 V CA -0.606 61.681 62.300 -0.021 0.000 0.872 1348 V CB 1.127 32.893 31.823 -0.096 0.000 1.002 1348 V HN 0.814 nan 8.190 nan 0.000 0.464 1349 D N 3.815 124.261 120.400 0.076 0.000 2.441 1349 D HA 0.303 4.939 4.640 -0.006 0.000 0.231 1349 D C 0.485 176.943 176.300 0.263 0.000 1.073 1349 D CA -0.353 53.708 54.000 0.102 0.000 0.850 1349 D CB 0.769 41.609 40.800 0.067 0.000 1.062 1349 D HN 0.429 nan 8.370 nan 0.000 0.524 1350 F N 1.435 121.387 119.950 0.004 0.000 2.748 1350 F HA -0.011 4.512 4.527 -0.006 0.000 0.299 1350 F C 1.249 177.049 175.800 0.000 0.000 1.154 1350 F CA -0.072 57.930 58.000 0.003 0.000 1.446 1350 F CB 0.507 39.510 39.000 0.005 0.000 1.112 1350 F HN 0.339 nan 8.300 nan 0.000 0.584 1351 D N -0.292 120.210 120.400 0.170 0.000 2.312 1351 D HA -0.138 4.499 4.640 -0.006 0.000 0.211 1351 D C 0.539 176.870 176.300 0.052 0.000 0.964 1351 D CA 0.738 54.788 54.000 0.084 0.000 0.877 1351 D CB -0.020 40.817 40.800 0.061 0.000 0.924 1351 D HN 0.005 nan 8.370 nan 0.000 0.515 1352 D N -0.036 120.403 120.400 0.065 0.000 2.347 1352 D HA -0.016 4.620 4.640 -0.006 0.000 0.235 1352 D C 1.577 177.883 176.300 0.011 0.000 1.149 1352 D CA -0.378 53.644 54.000 0.036 0.000 0.850 1352 D CB 1.409 42.236 40.800 0.044 0.000 1.061 1352 D HN -0.036 nan 8.370 nan 0.000 0.487 1353 V N 2.544 122.449 119.914 -0.015 0.000 2.688 1353 V HA -0.189 3.928 4.120 -0.006 0.000 0.256 1353 V C 1.910 177.975 176.094 -0.048 0.000 1.084 1353 V CA 1.154 63.426 62.300 -0.047 0.000 1.103 1353 V CB -0.859 30.938 31.823 -0.043 0.000 0.688 1353 V HN 0.414 nan 8.190 nan 0.000 0.480 1354 V N 0.196 120.097 119.914 -0.021 0.000 2.307 1354 V HA -0.142 3.975 4.120 -0.006 0.000 0.245 1354 V C 2.570 178.657 176.094 -0.013 0.000 1.045 1354 V CA 1.985 64.275 62.300 -0.016 0.000 1.024 1354 V CB -0.547 31.272 31.823 -0.006 0.000 0.651 1354 V HN 0.421 nan 8.190 nan 0.000 0.449 1355 I N 0.187 120.765 120.570 0.013 0.000 2.252 1355 I HA -0.144 4.023 4.170 -0.006 0.000 0.245 1355 I C 2.598 178.724 176.117 0.015 0.000 1.102 1355 I CA 1.411 62.746 61.300 0.058 0.000 1.385 1355 I CB -1.287 36.790 38.000 0.127 0.000 1.064 1355 I HN 0.293 nan 8.210 nan 0.000 0.414 1356 R N 1.623 122.047 120.500 -0.127 0.000 2.096 1356 R HA -0.144 4.193 4.340 -0.006 0.000 0.240 1356 R C 2.334 178.447 176.300 -0.312 0.000 1.139 1356 R CA 1.922 57.725 56.100 -0.494 0.000 0.952 1356 R CB -1.225 28.783 30.300 -0.486 0.000 0.854 1356 R HN 0.367 nan 8.270 nan 0.000 0.436 1357 G N -0.820 107.889 108.800 -0.153 0.000 2.421 1357 G HA2 -0.227 3.730 3.960 -0.006 0.000 0.216 1357 G HA3 -0.227 3.730 3.960 -0.006 0.000 0.216 1357 G C 1.465 176.361 174.900 -0.007 0.000 1.171 1357 G CA 0.828 45.883 45.100 -0.075 0.000 0.775 1357 G HN 0.303 nan 8.290 nan 0.000 0.543 1358 V N 1.106 121.016 119.914 -0.008 0.000 2.667 1358 V HA 0.047 4.163 4.120 -0.006 0.000 0.252 1358 V C 1.271 177.391 176.094 0.042 0.000 1.065 1358 V CA 1.499 63.803 62.300 0.006 0.000 1.083 1358 V CB -0.390 31.423 31.823 -0.018 0.000 0.692 1358 V HN 0.257 nan 8.190 nan 0.000 0.468 1359 T N 1.274 115.874 114.554 0.078 0.000 2.775 1359 T HA 0.173 4.519 4.350 -0.006 0.000 0.287 1359 T C 0.998 175.799 174.700 0.169 0.000 0.909 1359 T CA 0.632 62.833 62.100 0.167 0.000 1.081 1359 T CB 1.076 70.181 68.868 0.395 0.000 0.891 1359 T HN 0.397 nan 8.240 nan 0.000 0.544 1360 V N 1.790 121.793 119.914 0.149 0.000 3.307 1360 V HA 0.480 4.597 4.120 -0.006 0.000 0.253 1360 V C 0.453 176.650 176.094 0.172 0.000 1.149 1360 V CA 0.495 62.907 62.300 0.187 0.000 1.112 1360 V CB -0.259 31.615 31.823 0.085 0.000 0.777 1360 V HN 0.692 nan 8.190 nan 0.000 0.464 1361 I N 0.542 121.196 120.570 0.139 0.000 2.722 1361 I HA 0.573 4.739 4.170 -0.006 0.000 0.295 1361 I C -0.635 175.554 176.117 0.121 0.000 1.161 1361 I CA -0.770 60.604 61.300 0.123 0.000 1.032 1361 I CB 2.595 40.639 38.000 0.074 0.000 1.244 1361 I HN 0.046 nan 8.210 nan 0.000 0.421 1362 R N 4.604 125.168 120.500 0.108 0.000 2.473 1362 R HA 0.625 4.962 4.340 -0.006 0.000 0.303 1362 R C -0.212 176.098 176.300 0.017 0.000 1.002 1362 R CA -0.226 55.904 56.100 0.052 0.000 0.884 1362 R CB 1.658 31.968 30.300 0.017 0.000 1.173 1362 R HN 0.909 nan 8.270 nan 0.000 0.464 1363 A N 3.122 125.945 122.820 0.006 0.000 2.415 1363 A HA -0.170 4.146 4.320 -0.006 0.000 0.292 1363 A C 1.133 178.726 177.584 0.014 0.000 1.452 1363 A CA 1.498 53.537 52.037 0.003 0.000 0.750 1363 A CB -2.002 16.990 19.000 -0.014 0.000 1.099 1363 A HN 1.750 nan 8.150 nan 0.000 0.391 1364 G N -1.677 107.138 108.800 0.025 0.000 2.199 1364 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.254 1364 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.254 1364 G C -0.156 174.767 174.900 0.039 0.000 0.982 1364 G CA 0.654 45.770 45.100 0.028 0.000 0.632 1364 G HN 1.201 nan 8.290 nan 0.000 0.529 1365 E N 0.334 120.564 120.200 0.049 0.000 2.175 1365 E HA 0.521 4.867 4.350 -0.006 0.000 0.278 1365 E C 0.499 177.158 176.600 0.097 0.000 0.969 1365 E CA -0.775 55.665 56.400 0.066 0.000 0.796 1365 E CB 1.414 31.152 29.700 0.064 0.000 1.104 1365 E HN 0.408 nan 8.360 nan 0.000 0.395 1366 I N 2.438 123.070 120.570 0.104 0.000 2.505 1366 I HA -0.045 4.122 4.170 -0.006 0.000 0.287 1366 I C 1.282 177.498 176.117 0.166 0.000 1.104 1366 I CA 0.374 61.757 61.300 0.139 0.000 1.387 1366 I CB 0.264 38.349 38.000 0.142 0.000 1.404 1366 I HN 0.472 nan 8.210 nan 0.000 0.528 1367 T N 1.107 115.783 114.554 0.203 0.000 3.174 1367 T HA 0.103 4.449 4.350 -0.006 0.000 0.269 1367 T C -0.481 174.320 174.700 0.169 0.000 1.017 1367 T CA -0.518 61.697 62.100 0.191 0.000 0.899 1367 T CB -0.205 68.835 68.868 0.287 0.000 1.077 1367 T HN 0.549 nan 8.240 nan 0.000 0.552 1368 W N 3.632 124.944 121.300 0.020 0.000 2.551 1368 W HA 0.606 5.262 4.660 -0.006 0.000 0.330 1368 W C -2.594 173.930 176.519 0.008 0.000 1.063 1368 W CA -2.223 55.123 57.345 0.001 0.000 1.222 1368 W CB 1.448 30.914 29.460 0.011 0.000 1.349 1368 W HN -0.068 nan 8.180 nan 0.000 0.536 1369 P HA 0.394 nan 4.420 nan 0.000 0.282 1369 P C -0.827 176.172 177.300 -0.502 0.000 1.249 1369 P CA -0.348 62.015 63.100 -1.230 0.000 0.806 1369 P CB 1.274 32.169 31.700 -1.341 0.000 0.984 1370 A N 3.882 126.467 122.820 -0.391 0.000 2.406 1370 A HA 0.459 4.775 4.320 -0.006 0.000 0.243 1370 A C -1.908 175.539 177.584 -0.229 0.000 1.082 1370 A CA -0.897 50.985 52.037 -0.258 0.000 0.786 1370 A CB -1.555 17.314 19.000 -0.217 0.000 1.029 1370 A HN 0.460 nan 8.150 nan 0.000 0.495 1371 P HA 0.286 nan 4.420 nan 0.000 0.269 1371 P C -2.427 174.800 177.300 -0.122 0.000 1.215 1371 P CA -0.686 62.332 63.100 -0.136 0.000 0.780 1371 P CB -0.501 31.136 31.700 -0.105 0.000 0.898 1372 P HA 0.126 nan 4.420 nan 0.000 0.266 1372 P C -0.363 176.898 177.300 -0.066 0.000 1.195 1372 P CA 0.370 63.420 63.100 -0.082 0.000 0.768 1372 P CB 0.144 31.805 31.700 -0.065 0.000 0.838 1373 I N -1.241 119.295 120.570 -0.056 0.000 3.322 1373 I HA 0.622 4.788 4.170 -0.006 0.000 0.313 1373 I C -0.283 175.816 176.117 -0.029 0.000 1.129 1373 I CA -1.416 59.859 61.300 -0.042 0.000 0.963 1373 I CB 1.659 39.633 38.000 -0.043 0.000 1.273 1373 I HN 0.086 nan 8.210 nan 0.000 0.473 1374 Q N 0.000 119.787 119.800 -0.022 0.000 2.315 1374 Q HA 0.000 4.337 4.340 -0.006 0.000 0.214 1374 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 1374 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 1374 Q HN 0.000 nan 8.270 nan 0.000 0.481