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 1lv8_1_B DATA FIRST_RESID 1003 DATA SEQUENCE NGYTYEDYQD TAKWLLSHTE QRPQVAVICG SGLGGLVNKL TQAQTFDYSE DATA SEQUENCE IPNFPESTVP GHAGRLVFGI LNGRACVMMQ GRFHMYEGYP FWKVTFPVRV DATA SEQUENCE FRLLGVETLV VTNAAGGLNP NFEVGDIMLI RDHINLPGFS GQNPLRGPNE DATA SEQUENCE ERFGVRFPAM SDAYDRDMRQ KAHSTWKQMG EQRELQEGTY VMLGGPNFET DATA SEQUENCE VAECRLLRNL GADAVGMSTV PEVIVARHCG LRVFGFSLIT NKVIMDXXXX DATA SEQUENCE XXXXXXXXXX XXXQAAQKLE QFVSLLMASI PV 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 1003 N HA 0.000 nan 4.740 nan 0.000 0.220 1003 N C 0.000 174.697 175.510 -1.355 0.000 1.280 1003 N CA 0.000 52.248 53.050 -1.337 0.000 0.885 1003 N CB 0.000 38.243 38.487 -0.406 0.000 1.341 1004 G N 1.169 108.503 108.800 -2.443 0.000 2.623 1004 G HA2 0.029 3.989 3.960 0.000 0.000 0.214 1004 G HA3 0.029 3.989 3.960 0.000 0.000 0.214 1004 G C -0.208 174.244 174.900 -0.747 0.000 1.138 1004 G CA 0.688 44.956 45.100 -1.388 0.000 0.794 1004 G HN 0.458 nan 8.290 nan 0.000 0.535 1005 Y N 0.235 120.287 120.300 -0.413 0.000 2.301 1005 Y HA 0.531 5.081 4.550 0.000 0.000 0.325 1005 Y C 0.835 176.713 175.900 -0.037 0.000 1.203 1005 Y CA -0.752 57.231 58.100 -0.195 0.000 1.255 1005 Y CB 1.347 39.657 38.460 -0.249 0.000 1.232 1005 Y HN -0.129 nan 8.280 nan 0.000 0.501 1006 T N 1.238 115.904 114.554 0.186 0.000 2.945 1006 T HA 0.129 4.479 4.350 0.000 0.000 0.286 1006 T C 0.796 175.748 174.700 0.419 0.000 1.025 1006 T CA -0.397 61.851 62.100 0.246 0.000 1.039 1006 T CB 0.435 69.389 68.868 0.143 0.000 1.068 1006 T HN 0.617 nan 8.240 nan 0.000 0.497 1007 Y N 1.991 122.500 120.300 0.347 0.000 2.139 1007 Y HA -0.165 4.385 4.550 0.000 0.000 0.282 1007 Y C 2.194 178.298 175.900 0.340 0.000 1.179 1007 Y CA 2.442 60.772 58.100 0.383 0.000 1.161 1007 Y CB -0.056 38.452 38.460 0.080 0.000 0.970 1007 Y HN 0.833 nan 8.280 nan 0.000 0.511 1008 E N -0.536 119.787 120.200 0.206 0.000 2.268 1008 E HA -0.182 4.168 4.350 0.000 0.000 0.195 1008 E C 1.679 178.309 176.600 0.050 0.000 0.995 1008 E CA 0.887 57.335 56.400 0.080 0.000 0.836 1008 E CB -0.081 29.689 29.700 0.117 0.000 0.763 1008 E HN 0.571 nan 8.360 nan 0.000 0.491 1009 D N 0.135 120.568 120.400 0.056 0.000 2.117 1009 D HA -0.156 4.484 4.640 0.000 0.000 0.197 1009 D C 1.638 177.946 176.300 0.014 0.000 0.987 1009 D CA 1.104 55.106 54.000 0.004 0.000 0.829 1009 D CB -0.209 40.571 40.800 -0.033 0.000 0.961 1009 D HN 0.280 nan 8.370 nan 0.000 0.460 1010 Y N 1.603 121.937 120.300 0.057 0.000 2.128 1010 Y HA -0.163 4.387 4.550 0.000 0.000 0.284 1010 Y C 2.713 178.542 175.900 -0.119 0.000 1.154 1010 Y CA 1.098 59.146 58.100 -0.087 0.000 1.149 1010 Y CB -0.530 37.866 38.460 -0.107 0.000 0.976 1010 Y HN 0.006 nan 8.280 nan 0.000 0.505 1011 Q N -0.087 119.701 119.800 -0.020 0.000 2.084 1011 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 1011 Q C 1.683 177.709 176.000 0.042 0.000 0.978 1011 Q CA 1.597 57.371 55.803 -0.048 0.000 0.844 1011 Q CB -0.213 28.466 28.738 -0.099 0.000 0.898 1011 Q HN 0.479 nan 8.270 nan 0.000 0.426 1012 D N -0.266 120.169 120.400 0.059 0.000 2.097 1012 D HA -0.115 4.525 4.640 0.000 0.000 0.195 1012 D C 1.863 178.243 176.300 0.132 0.000 0.989 1012 D CA 1.431 55.486 54.000 0.092 0.000 0.827 1012 D CB -0.295 40.549 40.800 0.073 0.000 0.966 1012 D HN 0.162 nan 8.370 nan 0.000 0.456 1013 T N 0.463 115.096 114.554 0.132 0.000 2.777 1013 T HA -0.077 4.273 4.350 0.000 0.000 0.266 1013 T C 1.964 176.780 174.700 0.193 0.000 1.040 1013 T CA 1.374 63.575 62.100 0.168 0.000 1.141 1013 T CB -0.229 68.795 68.868 0.259 0.000 0.868 1013 T HN 0.184 nan 8.240 nan 0.000 0.444 1014 A N 1.758 124.663 122.820 0.141 0.000 1.902 1014 A HA -0.103 4.217 4.320 0.000 0.000 0.217 1014 A C 2.301 179.975 177.584 0.150 0.000 1.181 1014 A CA 1.216 53.339 52.037 0.143 0.000 0.623 1014 A CB -0.268 18.791 19.000 0.098 0.000 0.818 1014 A HN 0.190 nan 8.150 nan 0.000 0.443 1015 K N -1.248 119.238 120.400 0.143 0.000 2.026 1015 K HA -0.182 4.138 4.320 0.000 0.000 0.208 1015 K C 1.649 178.354 176.600 0.174 0.000 1.048 1015 K CA 1.299 57.664 56.287 0.131 0.000 0.929 1015 K CB -0.756 31.815 32.500 0.118 0.000 0.713 1015 K HN 0.746 nan 8.250 nan 0.000 0.439 1016 W N 1.989 123.297 121.300 0.014 0.000 2.318 1016 W HA -0.208 4.452 4.660 0.000 0.000 0.313 1016 W C 1.823 178.303 176.519 -0.065 0.000 1.221 1016 W CA 1.653 58.986 57.345 -0.020 0.000 1.266 1016 W CB -0.334 29.046 29.460 -0.134 0.000 1.150 1016 W HN -0.032 nan 8.180 nan 0.000 0.496 1017 L N -0.217 121.132 121.223 0.211 0.000 2.027 1017 L HA -0.238 4.102 4.340 0.000 0.000 0.206 1017 L C 2.514 179.323 176.870 -0.102 0.000 1.074 1017 L CA 1.229 56.047 54.840 -0.037 0.000 0.745 1017 L CB -1.096 41.050 42.059 0.145 0.000 0.898 1017 L HN 0.041 nan 8.230 nan 0.000 0.433 1018 L N -0.349 120.876 121.223 0.005 0.000 2.187 1018 L HA -0.184 4.156 4.340 0.000 0.000 0.213 1018 L C 2.567 179.402 176.870 -0.058 0.000 1.100 1018 L CA 1.458 56.288 54.840 -0.017 0.000 0.765 1018 L CB -0.422 41.656 42.059 0.031 0.000 0.904 1018 L HN 0.385 nan 8.230 nan 0.000 0.437 1019 S N -2.666 113.000 115.700 -0.057 0.000 2.575 1019 S HA -0.034 4.436 4.470 0.000 0.000 0.215 1019 S C 1.297 175.749 174.600 -0.247 0.000 0.966 1019 S CA -0.057 58.073 58.200 -0.116 0.000 0.911 1019 S CB -0.140 63.004 63.200 -0.092 0.000 0.780 1019 S HN 0.452 nan 8.310 nan 0.000 0.514 1020 H N 0.477 119.318 119.070 -0.381 0.000 2.705 1020 H HA 0.433 4.989 4.556 0.000 0.000 0.269 1020 H C 0.339 175.607 175.328 -0.100 0.000 0.998 1020 H CA 0.581 56.415 56.048 -0.357 0.000 1.193 1020 H CB 1.087 30.405 29.762 -0.740 0.000 1.485 1020 H HN 0.419 nan 8.280 nan 0.000 0.521 1021 T N -0.966 113.538 114.554 -0.083 0.000 2.894 1021 T HA 0.163 4.513 4.350 0.000 0.000 0.309 1021 T C 0.059 174.669 174.700 -0.150 0.000 1.208 1021 T CA -0.627 61.398 62.100 -0.125 0.000 1.016 1021 T CB 1.495 70.172 68.868 -0.318 0.000 1.192 1021 T HN 0.036 nan 8.240 nan 0.000 0.491 1022 E N 1.527 121.660 120.200 -0.111 0.000 2.447 1022 E HA 0.109 4.459 4.350 0.000 0.000 0.195 1022 E C 0.345 176.914 176.600 -0.052 0.000 1.028 1022 E CA 0.164 56.520 56.400 -0.073 0.000 0.876 1022 E CB 0.370 30.038 29.700 -0.052 0.000 0.885 1022 E HN 0.642 nan 8.360 nan 0.000 0.500 1023 Q N 1.239 120.998 119.800 -0.067 0.000 2.364 1023 Q HA 0.167 4.507 4.340 0.000 0.000 0.267 1023 Q C 0.102 176.135 176.000 0.055 0.000 0.999 1023 Q CA 0.363 56.176 55.803 0.015 0.000 0.886 1023 Q CB 0.767 29.560 28.738 0.091 0.000 1.243 1023 Q HN -0.194 nan 8.270 nan 0.000 0.415 1024 R N 3.037 123.590 120.500 0.089 0.000 2.494 1024 R HA 0.312 4.652 4.340 0.000 0.000 0.284 1024 R C -2.515 173.855 176.300 0.116 0.000 1.525 1024 R CA -1.734 54.429 56.100 0.105 0.000 1.460 1024 R CB 0.681 31.018 30.300 0.063 0.000 1.134 1024 R HN 0.551 nan 8.270 nan 0.000 0.592 1025 P HA 0.135 nan 4.420 nan 0.000 0.272 1025 P C -0.252 177.079 177.300 0.051 0.000 1.230 1025 P CA -0.198 62.956 63.100 0.091 0.000 0.788 1025 P CB 1.176 32.917 31.700 0.068 0.000 0.949 1026 Q N -0.319 119.494 119.800 0.022 0.000 2.189 1026 Q HA 0.256 4.596 4.340 0.000 0.000 0.223 1026 Q C 0.063 176.059 176.000 -0.008 0.000 0.828 1026 Q CA -0.014 55.799 55.803 0.017 0.000 0.967 1026 Q CB 0.562 29.315 28.738 0.025 0.000 1.139 1026 Q HN 0.341 nan 8.270 nan 0.000 0.497 1027 V N -0.690 119.198 119.914 -0.043 0.000 2.841 1027 V HA 0.939 5.059 4.120 0.000 0.000 0.310 1027 V C -1.797 174.183 176.094 -0.189 0.000 1.090 1027 V CA -0.974 61.280 62.300 -0.077 0.000 0.930 1027 V CB 1.851 33.655 31.823 -0.032 0.000 1.014 1027 V HN 0.016 nan 8.190 nan 0.000 0.425 1028 A N 5.059 127.724 122.820 -0.258 0.000 2.350 1028 A HA 0.918 5.238 4.320 0.000 0.000 0.324 1028 A C -1.201 176.196 177.584 -0.312 0.000 1.118 1028 A CA -0.614 51.144 52.037 -0.464 0.000 0.783 1028 A CB 2.005 20.551 19.000 -0.757 0.000 1.236 1028 A HN 1.313 nan 8.150 nan 0.000 0.457 1029 V N 3.130 122.868 119.914 -0.294 0.000 2.531 1029 V HA 0.384 4.504 4.120 0.000 0.000 0.301 1029 V C -0.597 175.420 176.094 -0.128 0.000 1.034 1029 V CA -0.168 62.019 62.300 -0.189 0.000 0.865 1029 V CB 1.613 33.349 31.823 -0.144 0.000 0.995 1029 V HN 0.761 nan 8.190 nan 0.000 0.424 1030 I N 4.038 124.554 120.570 -0.089 0.000 2.330 1030 I HA 0.325 4.495 4.170 0.000 0.000 0.286 1030 I C -0.078 176.014 176.117 -0.041 0.000 1.025 1030 I CA -0.185 61.091 61.300 -0.039 0.000 1.197 1030 I CB 1.094 39.074 38.000 -0.034 0.000 1.358 1030 I HN 0.549 nan 8.210 nan 0.000 0.467 1031 C N 5.261 124.548 119.300 -0.021 0.000 2.527 1031 C HA 0.427 4.887 4.460 0.000 0.000 0.396 1031 C C 1.354 176.353 174.990 0.015 0.000 1.289 1031 C CA -0.600 58.417 59.018 -0.002 0.000 2.047 1031 C CB 0.068 27.812 27.740 0.006 0.000 2.568 1031 C HN 0.897 nan 8.230 nan 0.000 0.573 1032 G N 2.576 111.397 108.800 0.035 0.000 2.636 1032 G HA2 0.339 4.299 3.960 0.000 0.000 0.246 1032 G HA3 0.339 4.299 3.960 0.000 0.000 0.246 1032 G C -0.084 174.871 174.900 0.091 0.000 1.216 1032 G CA -0.268 44.873 45.100 0.069 0.000 0.854 1032 G HN 0.825 nan 8.290 nan 0.000 0.572 1033 S N -0.197 115.586 115.700 0.140 0.000 2.498 1033 S HA 0.430 4.900 4.470 0.000 0.000 0.281 1033 S C 1.378 176.047 174.600 0.115 0.000 1.265 1033 S CA 0.721 59.008 58.200 0.145 0.000 1.071 1033 S CB 0.841 64.161 63.200 0.199 0.000 0.894 1033 S HN 1.861 nan 8.310 nan 0.000 0.491 1034 G N 2.388 111.246 108.800 0.096 0.000 2.284 1034 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 1034 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 1034 G C 0.321 175.262 174.900 0.068 0.000 1.009 1034 G CA -0.129 45.021 45.100 0.082 0.000 0.625 1034 G HN 0.631 nan 8.290 nan 0.000 0.501 1035 L N 1.700 122.962 121.223 0.065 0.000 2.984 1035 L HA 0.503 4.843 4.340 0.000 0.000 0.246 1035 L C 2.017 178.910 176.870 0.038 0.000 1.268 1035 L CA 0.372 55.243 54.840 0.051 0.000 1.054 1035 L CB 0.248 42.339 42.059 0.053 0.000 1.393 1035 L HN 0.220 nan 8.230 nan 0.000 0.532 1036 G N 0.104 108.929 108.800 0.040 0.000 2.848 1036 G HA2 -0.026 3.934 3.960 0.000 0.000 0.208 1036 G HA3 -0.026 3.934 3.960 0.000 0.000 0.208 1036 G C 1.364 176.275 174.900 0.018 0.000 1.152 1036 G CA 0.529 45.646 45.100 0.028 0.000 0.789 1036 G HN 0.502 nan 8.290 nan 0.000 0.531 1037 G N 0.416 109.228 108.800 0.021 0.000 2.598 1037 G HA2 -0.070 3.890 3.960 0.000 0.000 0.215 1037 G HA3 -0.070 3.890 3.960 0.000 0.000 0.215 1037 G C 1.504 176.408 174.900 0.008 0.000 1.131 1037 G CA -0.016 45.092 45.100 0.014 0.000 0.785 1037 G HN 0.416 nan 8.290 nan 0.000 0.539 1038 L N 0.447 121.674 121.223 0.006 0.000 2.191 1038 L HA -0.088 4.252 4.340 0.000 0.000 0.212 1038 L C 2.811 179.676 176.870 -0.008 0.000 1.103 1038 L CA 0.731 55.570 54.840 -0.001 0.000 0.769 1038 L CB -0.087 41.969 42.059 -0.006 0.000 0.908 1038 L HN 0.147 nan 8.230 nan 0.000 0.438 1039 V N -0.235 119.673 119.914 -0.010 0.000 2.343 1039 V HA -0.208 3.912 4.120 0.000 0.000 0.247 1039 V C 1.181 177.269 176.094 -0.011 0.000 1.051 1039 V CA 1.007 63.297 62.300 -0.015 0.000 1.036 1039 V CB -0.674 31.137 31.823 -0.018 0.000 0.654 1039 V HN 0.498 nan 8.190 nan 0.000 0.451 1040 N N 0.421 119.116 118.700 -0.007 0.000 2.371 1040 N HA 0.128 4.868 4.740 0.000 0.000 0.243 1040 N C 0.963 176.470 175.510 -0.004 0.000 1.287 1040 N CA 0.619 53.666 53.050 -0.005 0.000 0.911 1040 N CB 0.608 39.093 38.487 -0.003 0.000 1.142 1040 N HN 0.375 nan 8.380 nan 0.000 0.451 1041 K N -1.612 118.786 120.400 -0.003 0.000 3.576 1041 K HA -0.175 4.145 4.320 0.000 0.000 0.266 1041 K C -0.732 175.867 176.600 -0.002 0.000 0.969 1041 K CA 0.426 56.712 56.287 -0.002 0.000 1.137 1041 K CB -1.048 31.452 32.500 -0.000 0.000 1.294 1041 K HN 0.335 nan 8.250 nan 0.000 0.536 1042 L N 2.522 123.743 121.223 -0.003 0.000 2.371 1042 L HA 0.390 4.730 4.340 0.000 0.000 0.272 1042 L C 0.349 177.220 176.870 0.002 0.000 1.124 1042 L CA 0.808 55.647 54.840 -0.001 0.000 0.816 1042 L CB 1.142 43.198 42.059 -0.004 0.000 1.129 1042 L HN 0.329 nan 8.230 nan 0.000 0.448 1043 T N 0.347 114.904 114.554 0.006 0.000 2.945 1043 T HA 0.435 4.785 4.350 0.000 0.000 0.286 1043 T C -0.064 174.643 174.700 0.010 0.000 1.025 1043 T CA -0.705 61.398 62.100 0.005 0.000 1.039 1043 T CB 1.186 70.056 68.868 0.004 0.000 1.068 1043 T HN 0.541 nan 8.240 nan 0.000 0.497 1044 Q N -0.548 119.255 119.800 0.005 0.000 2.434 1044 Q HA -0.182 4.158 4.340 0.000 0.000 0.299 1044 Q C 0.181 176.190 176.000 0.015 0.000 1.286 1044 Q CA 0.330 56.137 55.803 0.006 0.000 0.872 1044 Q CB -2.061 26.683 28.738 0.010 0.000 1.193 1044 Q HN 1.038 nan 8.270 nan 0.000 0.466 1045 A N 1.018 123.843 122.820 0.009 0.000 2.425 1045 A HA 0.376 4.696 4.320 0.000 0.000 0.249 1045 A C 0.121 177.702 177.584 -0.005 0.000 1.084 1045 A CA 0.109 52.157 52.037 0.018 0.000 0.781 1045 A CB 0.810 19.812 19.000 0.005 0.000 1.019 1045 A HN 0.376 nan 8.150 nan 0.000 0.490 1046 Q N 1.091 120.902 119.800 0.018 0.000 2.292 1046 Q HA 0.443 4.783 4.340 0.000 0.000 0.270 1046 Q C -1.196 174.738 176.000 -0.111 0.000 1.024 1046 Q CA -0.348 55.401 55.803 -0.091 0.000 0.768 1046 Q CB 1.637 30.307 28.738 -0.114 0.000 1.250 1046 Q HN 0.751 nan 8.270 nan 0.000 0.447 1047 T N 3.240 117.653 114.554 -0.236 0.000 2.895 1047 T HA 0.603 4.953 4.350 0.000 0.000 0.283 1047 T C -1.067 173.398 174.700 -0.391 0.000 1.014 1047 T CA -0.184 61.808 62.100 -0.180 0.000 1.037 1047 T CB 0.461 69.275 68.868 -0.090 0.000 1.006 1047 T HN 0.320 nan 8.240 nan 0.000 0.468 1048 F N 1.492 121.528 119.950 0.144 0.000 2.536 1048 F HA 0.317 4.844 4.527 0.000 0.000 0.322 1048 F C 0.253 176.090 175.800 0.062 0.000 1.144 1048 F CA -1.249 56.845 58.000 0.157 0.000 0.924 1048 F CB 1.413 40.571 39.000 0.264 0.000 1.181 1048 F HN 0.407 nan 8.300 nan 0.000 0.438 1049 D N 2.259 122.787 120.400 0.214 0.000 2.382 1049 D HA -0.009 4.631 4.640 0.000 0.000 0.245 1049 D C 0.965 177.358 176.300 0.156 0.000 1.120 1049 D CA 0.176 54.231 54.000 0.092 0.000 0.890 1049 D CB 0.804 41.656 40.800 0.086 0.000 1.201 1049 D HN 0.419 nan 8.370 nan 0.000 0.433 1050 Y N 1.141 121.495 120.300 0.090 0.000 2.193 1050 Y HA -0.252 4.298 4.550 0.000 0.000 0.285 1050 Y C 2.658 178.598 175.900 0.067 0.000 1.166 1050 Y CA 1.130 59.276 58.100 0.078 0.000 1.181 1050 Y CB -1.133 37.549 38.460 0.369 0.000 0.976 1050 Y HN 0.396 nan 8.280 nan 0.000 0.520 1051 S N 0.412 116.263 115.700 0.253 0.000 2.400 1051 S HA -0.248 4.222 4.470 0.000 0.000 0.232 1051 S C 1.591 176.220 174.600 0.049 0.000 1.025 1051 S CA 1.498 59.787 58.200 0.149 0.000 0.993 1051 S CB -0.637 62.641 63.200 0.130 0.000 0.808 1051 S HN 0.769 nan 8.310 nan 0.000 0.478 1052 E N 0.685 120.900 120.200 0.025 0.000 2.478 1052 E HA 0.186 4.536 4.350 0.000 0.000 0.194 1052 E C 0.176 176.536 176.600 -0.400 0.000 1.045 1052 E CA -0.206 56.158 56.400 -0.061 0.000 0.868 1052 E CB -0.254 29.512 29.700 0.109 0.000 0.885 1052 E HN 0.600 nan 8.360 nan 0.000 0.505 1053 I N 3.153 123.465 120.570 -0.430 0.000 2.352 1053 I HA 0.207 4.377 4.170 0.000 0.000 0.290 1053 I C -2.174 173.621 176.117 -0.537 0.000 1.036 1053 I CA -2.586 58.222 61.300 -0.820 0.000 1.336 1053 I CB 0.618 38.206 38.000 -0.687 0.000 1.407 1053 I HN -0.200 nan 8.210 nan 0.000 0.497 1054 P HA -0.047 nan 4.420 nan 0.000 0.261 1054 P C 0.031 177.262 177.300 -0.116 0.000 1.173 1054 P CA 0.562 63.437 63.100 -0.376 0.000 0.760 1054 P CB 0.201 31.655 31.700 -0.409 0.000 0.783 1055 N N -0.702 117.929 118.700 -0.115 0.000 2.900 1055 N HA -0.221 4.519 4.740 0.000 0.000 0.240 1055 N C -0.068 175.257 175.510 -0.309 0.000 0.953 1055 N CA 0.984 53.912 53.050 -0.203 0.000 0.950 1055 N CB -1.806 36.474 38.487 -0.346 0.000 1.102 1055 N HN 0.336 nan 8.380 nan 0.000 0.593 1056 F N 2.172 121.973 119.950 -0.248 0.000 2.471 1056 F HA 0.255 4.782 4.527 0.000 0.000 0.353 1056 F C -1.362 174.283 175.800 -0.259 0.000 1.113 1056 F CA -1.348 56.538 58.000 -0.189 0.000 1.262 1056 F CB 0.283 39.264 39.000 -0.032 0.000 1.146 1056 F HN -0.140 nan 8.300 nan 0.000 0.578 1057 P HA 0.115 nan 4.420 nan 0.000 0.272 1057 P C -1.285 175.873 177.300 -0.237 0.000 1.230 1057 P CA -0.192 62.563 63.100 -0.574 0.000 0.788 1057 P CB 0.539 31.355 31.700 -1.472 0.000 0.949 1058 E N 0.167 120.359 120.200 -0.013 0.000 2.212 1058 E HA 0.322 4.672 4.350 0.000 0.000 0.268 1058 E C -0.411 176.427 176.600 0.396 0.000 0.902 1058 E CA -0.676 55.876 56.400 0.253 0.000 0.779 1058 E CB 1.293 31.098 29.700 0.174 0.000 1.172 1058 E HN 0.345 nan 8.360 nan 0.000 0.409 1059 S N 0.851 116.887 115.700 0.559 0.000 2.566 1059 S HA -0.033 4.437 4.470 0.000 0.000 0.280 1059 S C 1.308 176.116 174.600 0.348 0.000 1.343 1059 S CA 0.085 58.615 58.200 0.551 0.000 1.036 1059 S CB 0.680 64.157 63.200 0.463 0.000 0.866 1059 S HN 0.743 nan 8.310 nan 0.000 0.526 1060 T N -2.023 112.715 114.554 0.306 0.000 3.033 1060 T HA 0.064 4.414 4.350 0.000 0.000 0.248 1060 T C 0.651 175.436 174.700 0.141 0.000 1.040 1060 T CA -0.029 62.161 62.100 0.150 0.000 1.133 1060 T CB -0.387 68.506 68.868 0.042 0.000 0.895 1060 T HN 0.323 nan 8.240 nan 0.000 0.465 1061 V N 4.831 124.845 119.914 0.166 0.000 2.450 1061 V HA 0.157 4.277 4.120 0.000 0.000 0.264 1061 V C -2.293 173.926 176.094 0.208 0.000 0.996 1061 V CA -1.371 61.008 62.300 0.132 0.000 1.138 1061 V CB -0.858 30.982 31.823 0.027 0.000 1.051 1061 V HN 0.340 nan 8.190 nan 0.000 0.470 1062 P HA 0.231 nan 4.420 nan 0.000 0.264 1062 P C 1.022 178.451 177.300 0.216 0.000 1.193 1062 P CA 1.315 64.509 63.100 0.158 0.000 0.763 1062 P CB 0.591 32.353 31.700 0.103 0.000 0.810 1063 G N 2.248 111.130 108.800 0.137 0.000 2.157 1063 G HA2 -0.217 3.743 3.960 0.000 0.000 0.239 1063 G HA3 -0.217 3.743 3.960 0.000 0.000 0.239 1063 G C 0.051 174.836 174.900 -0.193 0.000 0.982 1063 G CA -0.244 44.863 45.100 0.011 0.000 0.650 1063 G HN 0.670 nan 8.290 nan 0.000 0.527 1064 H N -0.623 118.484 119.070 0.062 0.000 2.616 1064 H HA 0.653 5.209 4.556 0.000 0.000 0.229 1064 H C 1.540 176.908 175.328 0.066 0.000 1.418 1064 H CA 0.462 56.546 56.048 0.061 0.000 1.248 1064 H CB 0.333 30.144 29.762 0.081 0.000 1.822 1064 H HN 0.520 nan 8.280 nan 0.000 0.522 1065 A N 1.345 124.222 122.820 0.095 0.000 2.018 1065 A HA -0.061 4.259 4.320 0.000 0.000 0.250 1065 A C 1.517 179.145 177.584 0.073 0.000 2.130 1065 A CA 1.863 53.945 52.037 0.075 0.000 0.912 1065 A CB -1.165 17.839 19.000 0.007 0.000 0.799 1065 A HN 1.234 nan 8.150 nan 0.000 0.504 1066 G N -2.036 106.710 108.800 -0.090 0.000 3.363 1066 G HA2 0.445 4.405 3.960 0.000 0.000 0.685 1066 G HA3 0.445 4.405 3.960 0.000 0.000 0.685 1066 G C -0.630 173.712 174.900 -0.930 0.000 1.199 1066 G CA 0.063 44.934 45.100 -0.381 0.000 0.946 1066 G HN 1.580 nan 8.290 nan 0.000 0.558 1067 R N 1.192 121.063 120.500 -1.048 0.000 2.707 1067 R HA 0.798 5.138 4.340 0.000 0.000 0.272 1067 R C -1.693 174.384 176.300 -0.372 0.000 1.011 1067 R CA -1.208 54.463 56.100 -0.715 0.000 0.893 1067 R CB 1.976 32.128 30.300 -0.246 0.000 1.233 1067 R HN 0.764 nan 8.270 nan 0.000 0.464 1068 L N 1.808 123.044 121.223 0.022 0.000 2.272 1068 L HA 0.436 4.776 4.340 0.000 0.000 0.289 1068 L C -1.140 175.827 176.870 0.162 0.000 1.032 1068 L CA -0.544 54.429 54.840 0.222 0.000 0.810 1068 L CB 1.833 44.092 42.059 0.332 0.000 1.205 1068 L HN 0.522 nan 8.230 nan 0.000 0.422 1069 V N 5.336 125.262 119.914 0.020 0.000 2.495 1069 V HA 0.457 4.577 4.120 0.000 0.000 0.298 1069 V C -0.549 175.510 176.094 -0.059 0.000 1.031 1069 V CA -0.578 61.746 62.300 0.039 0.000 0.871 1069 V CB 1.425 33.248 31.823 -0.000 0.000 0.988 1069 V HN 0.433 nan 8.190 nan 0.000 0.432 1070 F N 2.769 122.758 119.950 0.064 0.000 2.415 1070 F HA 0.860 5.387 4.527 0.000 0.000 0.348 1070 F C 0.846 176.653 175.800 0.012 0.000 1.119 1070 F CA -0.010 58.022 58.000 0.054 0.000 1.069 1070 F CB 1.918 40.983 39.000 0.107 0.000 1.124 1070 F HN 0.720 nan 8.300 nan 0.000 0.472 1071 G N 2.809 111.693 108.800 0.139 0.000 2.548 1071 G HA2 0.508 4.468 3.960 0.000 0.000 0.301 1071 G HA3 0.508 4.468 3.960 0.000 0.000 0.301 1071 G C -2.019 172.910 174.900 0.049 0.000 1.349 1071 G CA -0.822 44.326 45.100 0.081 0.000 0.792 1071 G HN 0.255 nan 8.290 nan 0.000 0.481 1072 I N 1.768 122.357 120.570 0.032 0.000 2.336 1072 I HA 0.374 4.544 4.170 0.000 0.000 0.292 1072 I C 0.882 177.005 176.117 0.010 0.000 0.991 1072 I CA -0.310 61.002 61.300 0.021 0.000 1.227 1072 I CB 1.263 39.275 38.000 0.020 0.000 1.366 1072 I HN 0.471 nan 8.210 nan 0.000 0.466 1073 L N 5.148 126.374 121.223 0.005 0.000 2.208 1073 L HA 0.125 4.466 4.340 0.000 0.000 0.196 1073 L C 0.711 177.584 176.870 0.005 0.000 1.130 1073 L CA 0.827 55.668 54.840 0.001 0.000 0.791 1073 L CB 0.239 42.294 42.059 -0.006 0.000 0.969 1073 L HN 0.666 nan 8.230 nan 0.000 0.468 1074 N N -0.319 118.386 118.700 0.008 0.000 2.757 1074 N HA 0.251 4.991 4.740 0.000 0.000 0.296 1074 N C 0.188 175.704 175.510 0.011 0.000 1.874 1074 N CA 0.545 53.600 53.050 0.009 0.000 0.885 1074 N CB 0.691 39.185 38.487 0.012 0.000 1.242 1074 N HN 0.480 nan 8.380 nan 0.000 0.488 1075 G N 1.067 109.873 108.800 0.010 0.000 2.205 1075 G HA2 -0.297 3.663 3.960 0.000 0.000 0.261 1075 G HA3 -0.297 3.663 3.960 0.000 0.000 0.261 1075 G C 0.223 175.131 174.900 0.014 0.000 0.980 1075 G CA 0.283 45.389 45.100 0.011 0.000 0.632 1075 G HN 0.628 nan 8.290 nan 0.000 0.533 1076 R N 0.664 121.172 120.500 0.014 0.000 2.514 1076 R HA 0.710 5.050 4.340 0.000 0.000 0.301 1076 R C 0.503 176.813 176.300 0.016 0.000 0.962 1076 R CA 0.093 56.202 56.100 0.016 0.000 0.882 1076 R CB 1.079 31.389 30.300 0.017 0.000 1.143 1076 R HN 0.627 nan 8.270 nan 0.000 0.452 1077 A N 3.478 126.312 122.820 0.024 0.000 2.454 1077 A HA 0.326 4.646 4.320 0.000 0.000 0.260 1077 A C -0.523 177.068 177.584 0.013 0.000 1.106 1077 A CA -0.207 51.851 52.037 0.036 0.000 0.780 1077 A CB 0.002 19.037 19.000 0.058 0.000 1.044 1077 A HN 0.795 nan 8.150 nan 0.000 0.498 1078 C N 1.093 120.390 119.300 -0.005 0.000 2.848 1078 C HA 0.774 5.234 4.460 0.000 0.000 0.317 1078 C C -0.034 174.863 174.990 -0.155 0.000 1.260 1078 C CA -0.526 58.442 59.018 -0.082 0.000 1.656 1078 C CB 1.710 29.398 27.740 -0.087 0.000 2.174 1078 C HN 0.844 nan 8.230 nan 0.000 0.479 1079 V N 3.162 122.877 119.914 -0.332 0.000 2.588 1079 V HA 0.728 4.848 4.120 0.000 0.000 0.304 1079 V C -0.936 174.870 176.094 -0.479 0.000 1.042 1079 V CA -0.267 61.673 62.300 -0.600 0.000 0.877 1079 V CB 1.568 32.854 31.823 -0.896 0.000 0.996 1079 V HN 0.945 nan 8.190 nan 0.000 0.425 1080 M N 6.513 125.912 119.600 -0.336 0.000 2.395 1080 M HA 0.604 5.084 4.480 0.000 0.000 0.307 1080 M C -1.027 175.242 176.300 -0.051 0.000 1.091 1080 M CA -0.556 54.635 55.300 -0.182 0.000 0.919 1080 M CB 2.249 34.780 32.600 -0.115 0.000 1.662 1080 M HN 0.682 nan 8.290 nan 0.000 0.440 1081 M N 3.451 123.071 119.600 0.033 0.000 2.080 1081 M HA 0.273 4.753 4.480 0.000 0.000 0.350 1081 M C -0.766 175.587 176.300 0.088 0.000 1.173 1081 M CA -0.127 55.284 55.300 0.185 0.000 1.052 1081 M CB 1.238 33.974 32.600 0.225 0.000 1.577 1081 M HN 0.562 nan 8.290 nan 0.000 0.455 1082 Q N 3.428 123.255 119.800 0.044 0.000 2.466 1082 Q HA 0.551 4.891 4.340 0.000 0.000 0.242 1082 Q C -0.604 175.374 176.000 -0.037 0.000 1.046 1082 Q CA -0.272 55.521 55.803 -0.017 0.000 0.841 1082 Q CB 1.012 29.716 28.738 -0.056 0.000 1.193 1082 Q HN 0.949 nan 8.270 nan 0.000 0.508 1083 G N 2.877 111.690 108.800 0.023 0.000 2.885 1083 G HA2 -0.105 3.855 3.960 0.000 0.000 0.685 1083 G HA3 -0.105 3.855 3.960 0.000 0.000 0.685 1083 G C -1.653 173.218 174.900 -0.048 0.000 1.216 1083 G CA -0.855 44.269 45.100 0.039 0.000 0.790 1083 G HN 0.561 nan 8.290 nan 0.000 0.631 1084 R N 0.219 120.607 120.500 -0.185 0.000 2.930 1084 R HA 0.851 5.191 4.340 0.000 0.000 0.257 1084 R C -1.067 174.822 176.300 -0.684 0.000 1.107 1084 R CA -0.975 54.824 56.100 -0.501 0.000 0.999 1084 R CB 1.152 31.244 30.300 -0.347 0.000 1.209 1084 R HN 0.381 nan 8.270 nan 0.000 0.486 1085 F N 1.164 120.846 119.950 -0.445 0.000 2.495 1085 F HA 0.497 5.024 4.527 0.000 0.000 0.327 1085 F C 0.239 175.701 175.800 -0.564 0.000 1.103 1085 F CA -0.522 57.141 58.000 -0.562 0.000 0.949 1085 F CB 1.463 39.915 39.000 -0.914 0.000 1.142 1085 F HN 0.254 nan 8.300 nan 0.000 0.457 1086 H N 3.552 122.604 119.070 -0.030 0.000 2.690 1086 H HA 0.255 4.811 4.556 0.000 0.000 0.368 1086 H C 0.960 176.187 175.328 -0.168 0.000 1.150 1086 H CA -0.703 55.215 56.048 -0.216 0.000 1.174 1086 H CB 2.588 31.848 29.762 -0.837 0.000 1.684 1086 H HN 0.785 nan 8.280 nan 0.000 0.538 1087 M N 2.411 122.017 119.600 0.009 0.000 2.106 1087 M HA -0.241 4.239 4.480 0.000 0.000 0.259 1087 M C 1.608 177.865 176.300 -0.072 0.000 1.068 1087 M CA 1.989 57.215 55.300 -0.123 0.000 1.100 1087 M CB -0.320 32.149 32.600 -0.219 0.000 1.351 1087 M HN 0.680 nan 8.290 nan 0.000 0.404 1088 Y N 0.112 120.469 120.300 0.095 0.000 2.403 1088 Y HA -0.000 4.550 4.550 0.000 0.000 0.291 1088 Y C 1.366 177.281 175.900 0.024 0.000 1.143 1088 Y CA 1.268 59.391 58.100 0.038 0.000 1.257 1088 Y CB -1.452 37.028 38.460 0.033 0.000 0.984 1088 Y HN 0.418 nan 8.280 nan 0.000 0.550 1089 E N 0.272 120.406 120.200 -0.109 0.000 2.482 1089 E HA 0.179 4.529 4.350 0.000 0.000 0.196 1089 E C 1.610 178.084 176.600 -0.211 0.000 1.047 1089 E CA 0.538 56.917 56.400 -0.035 0.000 0.869 1089 E CB -0.123 29.578 29.700 0.002 0.000 0.836 1089 E HN 0.750 nan 8.360 nan 0.000 0.520 1090 G N 0.428 109.114 108.800 -0.191 0.000 2.201 1090 G HA2 -0.243 3.717 3.960 0.000 0.000 0.212 1090 G HA3 -0.243 3.717 3.960 0.000 0.000 0.212 1090 G C -0.241 174.463 174.900 -0.326 0.000 0.994 1090 G CA -0.469 44.476 45.100 -0.257 0.000 0.644 1090 G HN 0.198 nan 8.290 nan 0.000 0.508 1091 Y N 2.553 122.699 120.300 -0.257 0.000 2.359 1091 Y HA 0.473 5.023 4.550 0.000 0.000 0.330 1091 Y C -1.258 174.369 175.900 -0.456 0.000 1.143 1091 Y CA -1.711 56.164 58.100 -0.375 0.000 1.318 1091 Y CB 0.655 38.895 38.460 -0.368 0.000 1.234 1091 Y HN 0.031 nan 8.280 nan 0.000 0.522 1092 P HA 0.054 nan 4.420 nan 0.000 0.276 1092 P C 0.159 177.200 177.300 -0.432 0.000 1.244 1092 P CA -0.246 62.560 63.100 -0.490 0.000 0.801 1092 P CB 0.806 32.154 31.700 -0.586 0.000 1.006 1093 F N 0.162 120.022 119.950 -0.149 0.000 2.333 1093 F HA -0.109 4.418 4.527 0.000 0.000 0.300 1093 F C 2.258 178.031 175.800 -0.045 0.000 1.083 1093 F CA 0.838 58.789 58.000 -0.082 0.000 1.395 1093 F CB -1.153 37.850 39.000 0.005 0.000 1.056 1093 F HN 0.493 nan 8.300 nan 0.000 0.529 1094 W N 0.209 121.615 121.300 0.177 0.000 2.525 1094 W HA -0.019 4.641 4.660 0.000 0.000 0.259 1094 W C 1.469 178.112 176.519 0.208 0.000 1.253 1094 W CA 0.620 58.068 57.345 0.172 0.000 1.262 1094 W CB -1.109 28.433 29.460 0.137 0.000 1.122 1094 W HN 0.099 nan 8.180 nan 0.000 0.607 1095 K N 0.912 121.087 120.400 -0.375 0.000 2.141 1095 K HA -0.019 4.301 4.320 0.000 0.000 0.202 1095 K C 2.264 178.683 176.600 -0.302 0.000 1.045 1095 K CA 0.880 56.944 56.287 -0.372 0.000 0.971 1095 K CB -0.352 31.695 32.500 -0.755 0.000 0.795 1095 K HN -0.153 nan 8.250 nan 0.000 0.459 1096 V N 1.842 121.596 119.914 -0.267 0.000 2.278 1096 V HA -0.292 3.828 4.120 0.000 0.000 0.251 1096 V C 2.213 178.280 176.094 -0.045 0.000 1.062 1096 V CA 2.512 64.735 62.300 -0.129 0.000 1.038 1096 V CB -0.747 31.109 31.823 0.055 0.000 0.646 1096 V HN 0.586 nan 8.190 nan 0.000 0.447 1097 T N -3.476 111.069 114.554 -0.014 0.000 3.144 1097 T HA 0.034 4.384 4.350 0.000 0.000 0.249 1097 T C 1.418 176.058 174.700 -0.099 0.000 1.089 1097 T CA 0.124 62.184 62.100 -0.066 0.000 0.989 1097 T CB -0.375 68.460 68.868 -0.054 0.000 0.992 1097 T HN 0.345 nan 8.240 nan 0.000 0.540 1098 F N 3.584 123.389 119.950 -0.243 0.000 2.126 1098 F HA 0.104 4.631 4.527 0.000 0.000 0.299 1098 F C -1.139 174.341 175.800 -0.533 0.000 1.096 1098 F CA 0.518 58.307 58.000 -0.351 0.000 1.255 1098 F CB -1.020 37.632 39.000 -0.580 0.000 0.997 1098 F HN 0.189 nan 8.300 nan 0.000 0.479 1099 P HA -0.154 nan 4.420 nan 0.000 0.218 1099 P C 2.051 178.536 177.300 -1.358 0.000 1.148 1099 P CA 1.562 64.000 63.100 -1.105 0.000 0.822 1099 P CB -0.048 31.157 31.700 -0.825 0.000 0.784 1100 V N -0.207 119.234 119.914 -0.789 0.000 2.343 1100 V HA -0.238 3.882 4.120 0.000 0.000 0.247 1100 V C 2.386 178.210 176.094 -0.451 0.000 1.051 1100 V CA 1.846 63.851 62.300 -0.492 0.000 1.036 1100 V CB -0.909 30.763 31.823 -0.252 0.000 0.654 1100 V HN 0.083 nan 8.190 nan 0.000 0.451 1101 R N -0.683 119.478 120.500 -0.565 0.000 2.148 1101 R HA -0.045 4.295 4.340 0.000 0.000 0.223 1101 R C 2.181 178.241 176.300 -0.400 0.000 1.088 1101 R CA 0.879 56.601 56.100 -0.629 0.000 0.985 1101 R CB -0.312 29.263 30.300 -1.207 0.000 0.880 1101 R HN 0.400 nan 8.270 nan 0.000 0.451 1102 V N 0.600 120.196 119.914 -0.529 0.000 2.295 1102 V HA -0.238 3.882 4.120 0.000 0.000 0.246 1102 V C 1.880 177.950 176.094 -0.041 0.000 1.049 1102 V CA 1.669 63.779 62.300 -0.317 0.000 1.024 1102 V CB -0.516 31.053 31.823 -0.423 0.000 0.648 1102 V HN 0.132 nan 8.190 nan 0.000 0.447 1103 F N 0.816 120.723 119.950 -0.071 0.000 2.126 1103 F HA -0.184 4.343 4.527 0.000 0.000 0.299 1103 F C 2.553 178.350 175.800 -0.004 0.000 1.096 1103 F CA 1.816 59.805 58.000 -0.018 0.000 1.255 1103 F CB -1.158 37.814 39.000 -0.046 0.000 0.997 1103 F HN 0.096 nan 8.300 nan 0.000 0.479 1104 R N 0.970 121.560 120.500 0.151 0.000 2.083 1104 R HA -0.134 4.206 4.340 0.000 0.000 0.237 1104 R C 2.027 178.399 176.300 0.119 0.000 1.137 1104 R CA 1.469 57.635 56.100 0.109 0.000 0.951 1104 R CB -0.933 29.414 30.300 0.078 0.000 0.851 1104 R HN 0.356 nan 8.270 nan 0.000 0.434 1105 L N 0.179 121.471 121.223 0.115 0.000 2.275 1105 L HA -0.086 4.254 4.340 0.000 0.000 0.215 1105 L C 1.969 178.906 176.870 0.112 0.000 1.119 1105 L CA 0.719 55.621 54.840 0.103 0.000 0.790 1105 L CB -0.285 41.817 42.059 0.073 0.000 0.919 1105 L HN 0.243 nan 8.230 nan 0.000 0.443 1106 L N -0.675 120.638 121.223 0.150 0.000 2.395 1106 L HA 0.069 4.409 4.340 0.000 0.000 0.218 1106 L C 1.557 178.507 176.870 0.133 0.000 1.130 1106 L CA 0.817 55.758 54.840 0.169 0.000 0.826 1106 L CB -0.303 41.910 42.059 0.258 0.000 0.941 1106 L HN 0.492 nan 8.230 nan 0.000 0.451 1107 G N -0.683 108.186 108.800 0.114 0.000 2.192 1107 G HA2 -0.208 3.752 3.960 0.000 0.000 0.193 1107 G HA3 -0.208 3.752 3.960 0.000 0.000 0.193 1107 G C 0.215 175.159 174.900 0.073 0.000 0.999 1107 G CA -0.193 44.958 45.100 0.085 0.000 0.659 1107 G HN 0.015 nan 8.290 nan 0.000 0.503 1108 V N 0.723 120.687 119.914 0.084 0.000 2.763 1108 V HA 0.296 4.416 4.120 0.000 0.000 0.306 1108 V C 1.286 177.407 176.094 0.045 0.000 1.059 1108 V CA 1.419 63.747 62.300 0.047 0.000 1.138 1108 V CB 1.392 33.235 31.823 0.034 0.000 0.940 1108 V HN 0.489 nan 8.190 nan 0.000 0.489 1109 E N 0.901 121.118 120.200 0.028 0.000 2.541 1109 E HA 0.167 4.517 4.350 0.000 0.000 0.219 1109 E C -0.166 176.450 176.600 0.027 0.000 0.922 1109 E CA 0.136 56.553 56.400 0.029 0.000 1.095 1109 E CB 1.114 30.831 29.700 0.029 0.000 1.112 1109 E HN 0.752 nan 8.360 nan 0.000 0.516 1110 T N 1.160 115.726 114.554 0.020 0.000 2.916 1110 T HA 0.431 4.781 4.350 0.000 0.000 0.298 1110 T C -1.466 173.219 174.700 -0.025 0.000 1.031 1110 T CA -0.611 61.508 62.100 0.030 0.000 0.993 1110 T CB 2.040 70.962 68.868 0.089 0.000 1.045 1110 T HN -0.075 nan 8.240 nan 0.000 0.454 1111 L N 4.010 125.203 121.223 -0.051 0.000 2.322 1111 L HA 0.774 5.114 4.340 0.000 0.000 0.281 1111 L C -1.109 175.597 176.870 -0.272 0.000 1.014 1111 L CA -0.537 54.231 54.840 -0.120 0.000 0.815 1111 L CB 1.398 43.417 42.059 -0.067 0.000 1.247 1111 L HN 0.468 nan 8.230 nan 0.000 0.421 1112 V N 6.012 125.706 119.914 -0.367 0.000 2.347 1112 V HA 0.484 4.604 4.120 0.000 0.000 0.280 1112 V C -0.160 175.727 176.094 -0.345 0.000 1.021 1112 V CA -0.610 61.311 62.300 -0.630 0.000 0.847 1112 V CB 1.536 33.008 31.823 -0.586 0.000 0.990 1112 V HN 0.640 nan 8.190 nan 0.000 0.444 1113 V N 2.347 122.076 119.914 -0.309 0.000 2.612 1113 V HA 0.864 4.984 4.120 0.000 0.000 0.301 1113 V C -0.053 175.965 176.094 -0.127 0.000 1.046 1113 V CA -0.162 62.034 62.300 -0.173 0.000 0.946 1113 V CB 1.693 33.433 31.823 -0.139 0.000 1.003 1113 V HN 0.754 nan 8.190 nan 0.000 0.459 1114 T N 4.526 119.035 114.554 -0.074 0.000 2.933 1114 T HA 0.585 4.935 4.350 0.000 0.000 0.305 1114 T C -0.943 173.753 174.700 -0.008 0.000 1.092 1114 T CA -0.627 61.472 62.100 -0.001 0.000 1.008 1114 T CB 1.324 70.210 68.868 0.030 0.000 1.102 1114 T HN 1.209 nan 8.240 nan 0.000 0.469 1115 N N 0.517 119.229 118.700 0.020 0.000 2.823 1115 N HA 0.644 5.384 4.740 0.000 0.000 0.251 1115 N C -1.469 174.102 175.510 0.102 0.000 1.392 1115 N CA -1.049 52.033 53.050 0.054 0.000 0.864 1115 N CB 1.816 40.313 38.487 0.017 0.000 1.481 1115 N HN 0.628 nan 8.380 nan 0.000 0.508 1116 A N 0.143 123.042 122.820 0.132 0.000 2.301 1116 A HA 0.846 5.166 4.320 0.000 0.000 0.312 1116 A C -0.376 177.303 177.584 0.157 0.000 1.182 1116 A CA -0.185 51.932 52.037 0.133 0.000 0.826 1116 A CB 0.777 19.855 19.000 0.130 0.000 1.134 1116 A HN 0.976 nan 8.150 nan 0.000 0.501 1117 A N 1.080 123.988 122.820 0.147 0.000 2.564 1117 A HA 0.860 5.180 4.320 0.000 0.000 0.288 1117 A C 0.082 177.709 177.584 0.073 0.000 1.164 1117 A CA -0.170 51.949 52.037 0.136 0.000 0.712 1117 A CB 1.087 20.238 19.000 0.251 0.000 1.303 1117 A HN 1.831 nan 8.150 nan 0.000 0.418 1118 G N -0.345 108.451 108.800 -0.007 0.000 2.332 1118 G HA2 0.533 4.493 3.960 0.000 0.000 0.310 1118 G HA3 0.533 4.493 3.960 0.000 0.000 0.310 1118 G C 0.254 175.177 174.900 0.039 0.000 1.123 1118 G CA 0.172 45.262 45.100 -0.016 0.000 0.873 1118 G HN 1.217 nan 8.290 nan 0.000 0.460 1119 G N 0.674 109.534 108.800 0.100 0.000 2.380 1119 G HA2 0.394 4.354 3.960 0.000 0.000 0.262 1119 G HA3 0.394 4.354 3.960 0.000 0.000 0.262 1119 G C 0.434 175.336 174.900 0.003 0.000 1.243 1119 G CA -0.360 44.834 45.100 0.157 0.000 0.865 1119 G HN 0.408 nan 8.290 nan 0.000 0.513 1120 L N 2.050 123.213 121.223 -0.099 0.000 2.362 1120 L HA 0.220 4.560 4.340 0.000 0.000 0.204 1120 L C 1.457 178.186 176.870 -0.235 0.000 1.060 1120 L CA 0.154 54.907 54.840 -0.144 0.000 0.827 1120 L CB -0.774 41.201 42.059 -0.139 0.000 1.027 1120 L HN 0.513 nan 8.230 nan 0.000 0.474 1121 N N 2.253 120.668 118.700 -0.476 0.000 2.414 1121 N HA -0.043 4.697 4.740 0.000 0.000 0.268 1121 N C -1.678 173.601 175.510 -0.385 0.000 1.286 1121 N CA -0.675 52.008 53.050 -0.613 0.000 0.896 1121 N CB 1.268 38.937 38.487 -1.363 0.000 1.093 1121 N HN 0.101 nan 8.380 nan 0.000 0.480 1122 P HA -0.113 nan 4.420 nan 0.000 0.221 1122 P C 0.381 177.660 177.300 -0.035 0.000 1.145 1122 P CA 1.000 64.047 63.100 -0.088 0.000 0.795 1122 P CB 0.454 32.116 31.700 -0.063 0.000 0.775 1123 N N -0.876 117.794 118.700 -0.050 0.000 2.409 1123 N HA -0.011 4.729 4.740 0.000 0.000 0.179 1123 N C 0.698 176.358 175.510 0.250 0.000 1.032 1123 N CA 0.484 53.579 53.050 0.075 0.000 0.898 1123 N CB -0.428 38.113 38.487 0.090 0.000 0.971 1123 N HN 0.112 nan 8.380 nan 0.000 0.441 1124 F N 1.903 121.856 119.950 0.006 0.000 2.496 1124 F HA 0.183 4.710 4.527 0.000 0.000 0.344 1124 F C 1.120 176.929 175.800 0.014 0.000 1.155 1124 F CA -0.427 57.577 58.000 0.008 0.000 1.302 1124 F CB 0.317 39.321 39.000 0.007 0.000 1.159 1124 F HN -0.160 nan 8.300 nan 0.000 0.595 1125 E N 0.421 120.738 120.200 0.196 0.000 2.312 1125 E HA 0.334 4.684 4.350 0.000 0.000 0.267 1125 E C -0.972 175.679 176.600 0.085 0.000 0.894 1125 E CA -0.987 55.482 56.400 0.115 0.000 0.773 1125 E CB 2.482 32.229 29.700 0.078 0.000 1.241 1125 E HN 0.143 nan 8.360 nan 0.000 0.432 1126 V N 1.237 121.197 119.914 0.077 0.000 2.720 1126 V HA 0.178 4.298 4.120 0.000 0.000 0.307 1126 V C 1.521 177.644 176.094 0.048 0.000 1.071 1126 V CA 2.010 64.349 62.300 0.065 0.000 1.199 1126 V CB 0.252 32.112 31.823 0.061 0.000 0.900 1126 V HN 1.050 nan 8.190 nan 0.000 0.494 1127 G N 3.211 112.037 108.800 0.042 0.000 2.195 1127 G HA2 -0.192 3.768 3.960 0.000 0.000 0.246 1127 G HA3 -0.192 3.768 3.960 0.000 0.000 0.246 1127 G C 0.018 174.926 174.900 0.014 0.000 0.984 1127 G CA 0.099 45.221 45.100 0.037 0.000 0.633 1127 G HN 0.679 nan 8.290 nan 0.000 0.525 1128 D N 0.146 120.526 120.400 -0.033 0.000 2.368 1128 D HA 0.483 5.123 4.640 0.000 0.000 0.240 1128 D C 0.808 177.007 176.300 -0.168 0.000 1.169 1128 D CA 0.343 54.260 54.000 -0.138 0.000 0.906 1128 D CB 0.861 41.486 40.800 -0.292 0.000 1.187 1128 D HN 0.315 nan 8.370 nan 0.000 0.435 1129 I N 1.499 121.906 120.570 -0.272 0.000 2.406 1129 I HA 0.250 4.420 4.170 0.000 0.000 0.290 1129 I C -0.091 175.846 176.117 -0.300 0.000 0.999 1129 I CA -0.503 60.667 61.300 -0.216 0.000 1.124 1129 I CB 1.675 39.531 38.000 -0.240 0.000 1.289 1129 I HN 0.067 nan 8.210 nan 0.000 0.441 1130 M N 7.694 127.209 119.600 -0.142 0.000 2.078 1130 M HA 0.363 4.843 4.480 0.000 0.000 0.320 1130 M C -1.304 175.018 176.300 0.037 0.000 0.969 1130 M CA -1.035 54.175 55.300 -0.150 0.000 0.929 1130 M CB 1.476 33.972 32.600 -0.172 0.000 1.504 1130 M HN 0.457 nan 8.290 nan 0.000 0.419 1131 L N 6.499 127.745 121.223 0.039 0.000 2.499 1131 L HA 0.253 4.593 4.340 0.000 0.000 0.273 1131 L C -0.943 175.830 176.870 -0.161 0.000 1.195 1131 L CA 0.775 55.577 54.840 -0.064 0.000 0.882 1131 L CB 0.219 42.222 42.059 -0.093 0.000 1.133 1131 L HN 0.638 nan 8.230 nan 0.000 0.483 1132 I N 6.483 126.859 120.570 -0.324 0.000 2.337 1132 I HA 0.221 4.391 4.170 0.000 0.000 0.291 1132 I C 1.181 176.981 176.117 -0.527 0.000 1.046 1132 I CA -0.024 61.023 61.300 -0.421 0.000 1.324 1132 I CB 0.702 38.330 38.000 -0.620 0.000 1.409 1132 I HN 0.757 nan 8.210 nan 0.000 0.494 1133 R N 3.222 123.515 120.500 -0.346 0.000 2.254 1133 R HA 0.134 4.474 4.340 0.000 0.000 0.193 1133 R C -0.122 176.078 176.300 -0.166 0.000 0.929 1133 R CA 0.499 56.489 56.100 -0.184 0.000 1.038 1133 R CB 0.520 30.798 30.300 -0.037 0.000 1.009 1133 R HN 0.712 nan 8.270 nan 0.000 0.512 1134 D N -1.152 119.074 120.400 -0.290 0.000 2.692 1134 D HA 0.150 4.790 4.640 0.000 0.000 0.290 1134 D C -1.662 174.617 176.300 -0.035 0.000 1.281 1134 D CA -0.445 53.505 54.000 -0.082 0.000 0.804 1134 D CB 1.234 42.031 40.800 -0.004 0.000 1.331 1134 D HN 0.287 nan 8.370 nan 0.000 0.432 1135 H N -1.136 118.026 119.070 0.153 0.000 2.990 1135 H HA 0.673 5.229 4.556 0.000 0.000 0.343 1135 H C -1.066 174.314 175.328 0.086 0.000 1.270 1135 H CA -0.952 55.183 56.048 0.144 0.000 1.118 1135 H CB 1.192 31.113 29.762 0.264 0.000 1.861 1135 H HN 0.268 nan 8.280 nan 0.000 0.544 1136 I N 1.605 122.351 120.570 0.293 0.000 2.447 1136 I HA 0.170 4.340 4.170 0.000 0.000 0.287 1136 I C -0.345 175.742 176.117 -0.051 0.000 1.023 1136 I CA -0.468 60.895 61.300 0.104 0.000 1.083 1136 I CB 1.911 39.910 38.000 -0.003 0.000 1.245 1136 I HN 0.597 nan 8.210 nan 0.000 0.434 1137 N N 6.738 125.331 118.700 -0.178 0.000 2.678 1137 N HA 0.316 5.056 4.740 0.000 0.000 0.231 1137 N C 0.818 175.982 175.510 -0.577 0.000 1.038 1137 N CA -0.358 52.511 53.050 -0.301 0.000 0.932 1137 N CB 0.808 39.177 38.487 -0.197 0.000 1.176 1137 N HN 0.665 nan 8.380 nan 0.000 0.511 1138 L N 3.473 124.417 121.223 -0.466 0.000 2.027 1138 L HA -0.033 4.307 4.340 0.000 0.000 0.206 1138 L C -0.704 176.062 176.870 -0.174 0.000 1.074 1138 L CA 1.243 55.813 54.840 -0.450 0.000 0.745 1138 L CB -1.378 40.568 42.059 -0.189 0.000 0.898 1138 L HN 0.460 nan 8.230 nan 0.000 0.433 1139 P HA -0.141 nan 4.420 nan 0.000 0.216 1139 P C 1.543 178.922 177.300 0.132 0.000 1.150 1139 P CA 1.651 64.828 63.100 0.129 0.000 0.837 1139 P CB -0.184 31.711 31.700 0.325 0.000 0.786 1140 G N -1.328 107.491 108.800 0.033 0.000 2.448 1140 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 1140 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 1140 G C 1.078 176.113 174.900 0.225 0.000 1.127 1140 G CA 0.233 45.385 45.100 0.087 0.000 0.766 1140 G HN 0.125 nan 8.290 nan 0.000 0.552 1141 F N 2.183 122.179 119.950 0.076 0.000 2.269 1141 F HA -0.027 4.500 4.527 0.000 0.000 0.301 1141 F C 2.704 178.542 175.800 0.064 0.000 1.082 1141 F CA 0.813 58.851 58.000 0.064 0.000 1.360 1141 F CB -0.477 38.555 39.000 0.053 0.000 1.041 1141 F HN 0.235 nan 8.300 nan 0.000 0.512 1142 S N -1.651 114.206 115.700 0.262 0.000 2.572 1142 S HA 0.496 4.966 4.470 0.000 0.000 0.228 1142 S C 1.599 176.286 174.600 0.144 0.000 0.963 1142 S CA 0.223 58.527 58.200 0.173 0.000 0.939 1142 S CB 0.168 63.453 63.200 0.142 0.000 0.804 1142 S HN 0.513 nan 8.310 nan 0.000 0.480 1143 G N 1.064 109.960 108.800 0.161 0.000 2.194 1143 G HA2 -0.212 3.748 3.960 0.000 0.000 0.236 1143 G HA3 -0.212 3.748 3.960 0.000 0.000 0.236 1143 G C -0.080 174.917 174.900 0.163 0.000 0.987 1143 G CA -0.353 44.832 45.100 0.142 0.000 0.635 1143 G HN 0.482 nan 8.290 nan 0.000 0.520 1144 Q N 0.706 120.625 119.800 0.199 0.000 2.348 1144 Q HA 0.409 4.749 4.340 0.000 0.000 0.251 1144 Q C -0.087 176.153 176.000 0.401 0.000 1.113 1144 Q CA 0.367 56.343 55.803 0.288 0.000 0.902 1144 Q CB 0.520 29.432 28.738 0.291 0.000 1.333 1144 Q HN 0.664 nan 8.270 nan 0.000 0.457 1145 N N 2.643 121.555 118.700 0.352 0.000 2.406 1145 N HA 0.228 4.968 4.740 0.000 0.000 0.283 1145 N C -2.131 173.503 175.510 0.207 0.000 1.074 1145 N CA -1.269 51.895 53.050 0.191 0.000 0.916 1145 N CB 1.832 40.379 38.487 0.100 0.000 1.639 1145 N HN 0.027 nan 8.380 nan 0.000 0.485 1146 P HA -0.108 nan 4.420 nan 0.000 0.223 1146 P C 0.583 177.933 177.300 0.084 0.000 1.144 1146 P CA 1.023 64.220 63.100 0.161 0.000 0.783 1146 P CB 0.305 32.026 31.700 0.035 0.000 0.771 1147 L N -1.371 119.847 121.223 -0.008 0.000 2.592 1147 L HA 0.184 4.524 4.340 0.000 0.000 0.227 1147 L C 1.625 178.477 176.870 -0.030 0.000 1.127 1147 L CA -0.413 54.373 54.840 -0.090 0.000 0.884 1147 L CB -0.398 41.534 42.059 -0.211 0.000 1.065 1147 L HN -0.106 nan 8.230 nan 0.000 0.457 1148 R N 1.259 121.785 120.500 0.044 0.000 2.590 1148 R HA 0.401 4.741 4.340 0.000 0.000 0.274 1148 R C 0.316 176.626 176.300 0.018 0.000 1.061 1148 R CA 0.983 57.110 56.100 0.046 0.000 1.081 1148 R CB 0.434 30.788 30.300 0.090 0.000 0.984 1148 R HN 0.221 nan 8.270 nan 0.000 0.448 1149 G N 3.829 112.629 108.800 0.000 0.000 2.434 1149 G HA2 -0.146 3.814 3.960 0.000 0.000 0.671 1149 G HA3 -0.146 3.814 3.960 0.000 0.000 0.671 1149 G C -2.693 172.193 174.900 -0.024 0.000 1.280 1149 G CA -0.891 44.198 45.100 -0.018 0.000 0.975 1149 G HN 0.580 nan 8.290 nan 0.000 0.510 1150 P HA 0.256 nan 4.420 nan 0.000 0.268 1150 P C -0.201 177.092 177.300 -0.012 0.000 1.205 1150 P CA -0.147 62.940 63.100 -0.021 0.000 0.771 1150 P CB 0.540 32.232 31.700 -0.013 0.000 0.858 1151 N N 1.941 120.623 118.700 -0.031 0.000 2.497 1151 N HA 0.048 4.788 4.740 0.000 0.000 0.271 1151 N C -0.259 175.278 175.510 0.045 0.000 1.142 1151 N CA -0.133 52.913 53.050 -0.006 0.000 0.965 1151 N CB 0.387 38.844 38.487 -0.050 0.000 1.077 1151 N HN 0.238 nan 8.380 nan 0.000 0.462 1152 E N 2.453 122.734 120.200 0.134 0.000 1.963 1152 E HA 0.042 4.392 4.350 0.000 0.000 0.274 1152 E C 0.587 177.232 176.600 0.074 0.000 1.061 1152 E CA -0.429 56.044 56.400 0.121 0.000 0.847 1152 E CB 0.196 30.068 29.700 0.286 0.000 1.083 1152 E HN 0.584 nan 8.360 nan 0.000 0.402 1153 E N 4.941 125.121 120.200 -0.033 0.000 2.267 1153 E HA -0.251 4.099 4.350 0.000 0.000 0.197 1153 E C 0.930 177.442 176.600 -0.147 0.000 0.998 1153 E CA 1.012 57.370 56.400 -0.070 0.000 0.830 1153 E CB -0.195 29.455 29.700 -0.083 0.000 0.751 1153 E HN 0.470 nan 8.360 nan 0.000 0.491 1154 R N -0.985 119.342 120.500 -0.288 0.000 2.285 1154 R HA 0.021 4.361 4.340 0.000 0.000 0.213 1154 R C 1.425 177.507 176.300 -0.364 0.000 1.068 1154 R CA 0.999 56.833 56.100 -0.443 0.000 1.004 1154 R CB -0.145 29.597 30.300 -0.931 0.000 0.873 1154 R HN 0.153 nan 8.270 nan 0.000 0.467 1155 F N -1.436 118.458 119.950 -0.093 0.000 2.419 1155 F HA 0.337 4.864 4.527 0.000 0.000 0.283 1155 F C 1.404 177.004 175.800 -0.334 0.000 1.044 1155 F CA 0.734 58.665 58.000 -0.116 0.000 1.376 1155 F CB 0.199 39.190 39.000 -0.015 0.000 1.131 1155 F HN 0.001 nan 8.300 nan 0.000 0.585 1156 G N -0.777 107.866 108.800 -0.261 0.000 2.490 1156 G HA2 0.447 4.407 3.960 0.000 0.000 0.308 1156 G HA3 0.447 4.407 3.960 0.000 0.000 0.308 1156 G C -1.450 173.322 174.900 -0.213 0.000 1.286 1156 G CA -0.150 44.632 45.100 -0.530 0.000 0.825 1156 G HN 0.145 nan 8.290 nan 0.000 0.479 1157 V N -1.477 118.364 119.914 -0.121 0.000 3.214 1157 V HA 0.673 4.793 4.120 0.000 0.000 0.306 1157 V C 1.816 177.972 176.094 0.103 0.000 1.078 1157 V CA 0.072 62.386 62.300 0.023 0.000 1.077 1157 V CB 1.419 33.260 31.823 0.030 0.000 1.121 1157 V HN 0.842 nan 8.190 nan 0.000 0.468 1158 R N 1.425 121.871 120.500 -0.090 0.000 2.075 1158 R HA 0.091 4.431 4.340 0.000 0.000 0.232 1158 R C 0.450 176.446 176.300 -0.507 0.000 1.126 1158 R CA 1.506 57.373 56.100 -0.389 0.000 0.963 1158 R CB -0.766 29.100 30.300 -0.723 0.000 0.858 1158 R HN 0.745 nan 8.270 nan 0.000 0.435 1159 F N 2.926 122.924 119.950 0.081 0.000 2.449 1159 F HA 0.417 4.944 4.527 0.000 0.000 0.344 1159 F C -1.925 173.920 175.800 0.075 0.000 1.180 1159 F CA -2.843 55.196 58.000 0.065 0.000 1.209 1159 F CB 0.786 39.813 39.000 0.045 0.000 1.440 1159 F HN -0.024 nan 8.300 nan 0.000 0.526 1160 P HA 0.247 nan 4.420 nan 0.000 0.271 1160 P C -0.281 177.101 177.300 0.137 0.000 1.216 1160 P CA -0.141 63.065 63.100 0.177 0.000 0.776 1160 P CB 1.280 33.113 31.700 0.221 0.000 0.881 1161 A N 3.068 125.946 122.820 0.096 0.000 2.425 1161 A HA 0.306 4.626 4.320 0.000 0.000 0.249 1161 A C 0.775 178.384 177.584 0.042 0.000 1.084 1161 A CA -0.140 51.936 52.037 0.065 0.000 0.781 1161 A CB 0.085 19.111 19.000 0.043 0.000 1.019 1161 A HN 0.566 nan 8.150 nan 0.000 0.490 1162 M N 1.933 121.551 119.600 0.031 0.000 2.300 1162 M HA 0.071 4.551 4.480 0.000 0.000 0.313 1162 M C 1.785 178.059 176.300 -0.042 0.000 0.988 1162 M CA 0.893 56.190 55.300 -0.005 0.000 1.012 1162 M CB -0.088 32.530 32.600 0.029 0.000 1.586 1162 M HN 0.857 nan 8.290 nan 0.000 0.562 1163 S N -0.014 115.679 115.700 -0.012 0.000 2.469 1163 S HA -0.073 4.397 4.470 0.000 0.000 0.238 1163 S C 0.856 175.453 174.600 -0.005 0.000 0.998 1163 S CA 1.294 59.490 58.200 -0.008 0.000 0.957 1163 S CB -0.532 62.672 63.200 0.008 0.000 0.764 1163 S HN 0.603 nan 8.310 nan 0.000 0.514 1164 D N 0.117 120.507 120.400 -0.017 0.000 2.696 1164 D HA 0.498 5.138 4.640 0.000 0.000 0.269 1164 D C 1.195 177.462 176.300 -0.055 0.000 1.319 1164 D CA 0.226 54.219 54.000 -0.012 0.000 0.826 1164 D CB 0.190 40.987 40.800 -0.005 0.000 1.086 1164 D HN 0.331 nan 8.370 nan 0.000 0.481 1165 A N 0.200 122.946 122.820 -0.123 0.000 1.883 1165 A HA -0.149 4.171 4.320 0.000 0.000 0.217 1165 A C 0.370 177.694 177.584 -0.433 0.000 1.186 1165 A CA 0.844 52.692 52.037 -0.315 0.000 0.624 1165 A CB -0.776 17.927 19.000 -0.495 0.000 0.822 1165 A HN 0.325 nan 8.150 nan 0.000 0.444 1166 Y N 0.711 120.998 120.300 -0.021 0.000 2.477 1166 Y HA 0.367 4.917 4.550 0.000 0.000 0.349 1166 Y C 0.103 176.004 175.900 0.003 0.000 0.977 1166 Y CA -1.410 56.687 58.100 -0.005 0.000 1.214 1166 Y CB 0.027 38.472 38.460 -0.025 0.000 1.124 1166 Y HN 0.291 nan 8.280 nan 0.000 0.521 1167 D N 3.094 123.546 120.400 0.087 0.000 2.793 1167 D HA -0.145 4.495 4.640 0.000 0.000 0.230 1167 D C 1.552 177.875 176.300 0.037 0.000 1.139 1167 D CA 0.569 54.598 54.000 0.049 0.000 0.838 1167 D CB 0.717 41.544 40.800 0.044 0.000 1.149 1167 D HN 0.641 nan 8.370 nan 0.000 0.526 1168 R N 3.178 123.695 120.500 0.028 0.000 2.083 1168 R HA -0.201 4.139 4.340 0.000 0.000 0.237 1168 R C 0.788 177.094 176.300 0.009 0.000 1.137 1168 R CA 1.815 57.931 56.100 0.027 0.000 0.951 1168 R CB -0.059 30.256 30.300 0.023 0.000 0.851 1168 R HN 0.534 nan 8.270 nan 0.000 0.434 1169 D N 0.143 120.537 120.400 -0.010 0.000 2.178 1169 D HA -0.136 4.504 4.640 0.000 0.000 0.202 1169 D C 1.899 178.154 176.300 -0.076 0.000 0.974 1169 D CA 0.992 54.975 54.000 -0.028 0.000 0.841 1169 D CB -0.056 40.728 40.800 -0.028 0.000 0.953 1169 D HN 0.258 nan 8.370 nan 0.000 0.478 1170 M N 0.201 119.718 119.600 -0.138 0.000 2.319 1170 M HA 0.006 4.486 4.480 0.000 0.000 0.265 1170 M C 1.938 178.093 176.300 -0.241 0.000 1.068 1170 M CA 0.846 55.953 55.300 -0.322 0.000 1.118 1170 M CB -0.472 31.764 32.600 -0.607 0.000 1.395 1170 M HN 0.015 nan 8.290 nan 0.000 0.435 1171 R N -0.043 120.398 120.500 -0.099 0.000 2.092 1171 R HA -0.104 4.236 4.340 0.000 0.000 0.231 1171 R C 2.120 178.457 176.300 0.063 0.000 1.119 1171 R CA 1.055 57.136 56.100 -0.032 0.000 0.970 1171 R CB -0.327 29.993 30.300 0.033 0.000 0.864 1171 R HN 0.576 nan 8.270 nan 0.000 0.440 1172 Q N 0.900 120.751 119.800 0.086 0.000 2.050 1172 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 1172 Q C 2.011 178.085 176.000 0.124 0.000 0.980 1172 Q CA 1.300 57.190 55.803 0.144 0.000 0.840 1172 Q CB -0.139 28.648 28.738 0.081 0.000 0.898 1172 Q HN 0.311 nan 8.270 nan 0.000 0.424 1173 K N 0.693 121.115 120.400 0.036 0.000 2.113 1173 K HA -0.158 4.162 4.320 0.000 0.000 0.208 1173 K C 2.125 178.780 176.600 0.091 0.000 1.047 1173 K CA 1.244 57.547 56.287 0.027 0.000 0.928 1173 K CB -0.229 32.230 32.500 -0.068 0.000 0.716 1173 K HN 0.165 nan 8.250 nan 0.000 0.446 1174 A N 1.337 124.202 122.820 0.076 0.000 1.930 1174 A HA -0.169 4.151 4.320 0.000 0.000 0.217 1174 A C 1.834 179.637 177.584 0.365 0.000 1.175 1174 A CA 1.212 53.404 52.037 0.259 0.000 0.627 1174 A CB -0.576 18.580 19.000 0.261 0.000 0.815 1174 A HN 0.266 nan 8.150 nan 0.000 0.443 1175 H N 0.104 119.335 119.070 0.269 0.000 2.389 1175 H HA -0.050 4.506 4.556 0.000 0.000 0.299 1175 H C 2.538 178.003 175.328 0.229 0.000 1.081 1175 H CA 1.597 57.776 56.048 0.219 0.000 1.345 1175 H CB -0.252 29.583 29.762 0.122 0.000 1.393 1175 H HN 0.492 nan 8.280 nan 0.000 0.520 1176 S N 0.038 115.914 115.700 0.294 0.000 2.348 1176 S HA -0.127 4.343 4.470 0.000 0.000 0.221 1176 S C 2.274 176.998 174.600 0.206 0.000 1.033 1176 S CA 1.682 60.003 58.200 0.201 0.000 1.010 1176 S CB -0.455 62.828 63.200 0.138 0.000 0.891 1176 S HN 0.444 nan 8.310 nan 0.000 0.442 1177 T N 1.293 116.002 114.554 0.259 0.000 2.803 1177 T HA -0.146 4.204 4.350 0.000 0.000 0.269 1177 T C 1.281 176.131 174.700 0.249 0.000 1.052 1177 T CA 1.007 63.276 62.100 0.282 0.000 1.136 1177 T CB -0.298 68.822 68.868 0.421 0.000 0.864 1177 T HN 0.569 nan 8.240 nan 0.000 0.467 1178 W N 2.280 123.615 121.300 0.059 0.000 2.388 1178 W HA -0.089 4.571 4.660 0.000 0.000 0.294 1178 W C 1.778 178.238 176.519 -0.098 0.000 1.212 1178 W CA 0.958 58.183 57.345 -0.200 0.000 1.271 1178 W CB -0.158 29.141 29.460 -0.268 0.000 1.126 1178 W HN 0.284 nan 8.180 nan 0.000 0.535 1179 K N 0.299 120.754 120.400 0.092 0.000 2.032 1179 K HA -0.247 4.073 4.320 0.000 0.000 0.209 1179 K C 1.947 178.488 176.600 -0.099 0.000 1.048 1179 K CA 1.971 58.263 56.287 0.007 0.000 0.927 1179 K CB -0.630 31.913 32.500 0.071 0.000 0.712 1179 K HN 0.281 nan 8.250 nan 0.000 0.441 1180 Q N 0.059 119.819 119.800 -0.065 0.000 2.364 1180 Q HA -0.071 4.269 4.340 0.000 0.000 0.209 1180 Q C 1.710 177.610 176.000 -0.166 0.000 0.977 1180 Q CA 0.959 56.714 55.803 -0.079 0.000 0.885 1180 Q CB -0.088 28.638 28.738 -0.020 0.000 0.941 1180 Q HN 0.409 nan 8.270 nan 0.000 0.464 1181 M N -0.595 118.813 119.600 -0.319 0.000 2.502 1181 M HA 0.116 4.596 4.480 0.000 0.000 0.243 1181 M C 0.641 176.682 176.300 -0.432 0.000 1.130 1181 M CA 0.187 55.229 55.300 -0.430 0.000 1.055 1181 M CB 0.435 32.606 32.600 -0.715 0.000 1.457 1181 M HN 0.246 nan 8.290 nan 0.000 0.488 1182 G N 2.917 111.499 108.800 -0.363 0.000 2.306 1182 G HA2 -0.200 3.760 3.960 0.000 0.000 0.274 1182 G HA3 -0.200 3.760 3.960 0.000 0.000 0.274 1182 G C -0.452 174.275 174.900 -0.288 0.000 0.890 1182 G CA 0.172 45.116 45.100 -0.259 0.000 1.298 1182 G HN 0.426 nan 8.290 nan 0.000 0.445 1183 E N -0.173 119.789 120.200 -0.397 0.000 2.231 1183 E HA 0.281 4.631 4.350 0.000 0.000 0.277 1183 E C 1.144 177.705 176.600 -0.065 0.000 0.999 1183 E CA -0.932 55.302 56.400 -0.277 0.000 0.827 1183 E CB 1.360 30.806 29.700 -0.425 0.000 1.101 1183 E HN 0.361 nan 8.360 nan 0.000 0.393 1184 Q N 1.707 121.495 119.800 -0.020 0.000 2.077 1184 Q HA -0.173 4.167 4.340 0.000 0.000 0.206 1184 Q C 0.448 176.494 176.000 0.076 0.000 0.989 1184 Q CA 1.703 57.518 55.803 0.021 0.000 0.853 1184 Q CB 0.116 28.866 28.738 0.020 0.000 0.907 1184 Q HN 0.224 nan 8.270 nan 0.000 0.418 1185 R N 0.695 121.273 120.500 0.130 0.000 2.457 1185 R HA 0.223 4.563 4.340 0.000 0.000 0.284 1185 R C -0.610 175.888 176.300 0.329 0.000 1.024 1185 R CA -0.157 56.046 56.100 0.172 0.000 1.025 1185 R CB 0.800 31.181 30.300 0.135 0.000 1.063 1185 R HN 0.194 nan 8.270 nan 0.000 0.493 1186 E N 1.953 122.272 120.200 0.199 0.000 2.369 1186 E HA 0.072 4.422 4.350 0.000 0.000 0.255 1186 E C -0.455 175.967 176.600 -0.297 0.000 1.172 1186 E CA -0.605 55.900 56.400 0.175 0.000 0.932 1186 E CB 0.655 30.395 29.700 0.067 0.000 1.040 1186 E HN 0.361 nan 8.360 nan 0.000 0.454 1187 L N 2.949 123.705 121.223 -0.777 0.000 2.407 1187 L HA 0.018 4.358 4.340 0.000 0.000 0.282 1187 L C 0.028 176.642 176.870 -0.426 0.000 1.110 1187 L CA -0.335 53.828 54.840 -1.128 0.000 0.863 1187 L CB 0.179 41.691 42.059 -0.910 0.000 1.207 1187 L HN 0.410 nan 8.230 nan 0.000 0.454 1188 Q N 4.263 123.796 119.800 -0.444 0.000 2.443 1188 Q HA 0.229 4.569 4.340 0.000 0.000 0.232 1188 Q C -0.546 175.377 176.000 -0.127 0.000 1.026 1188 Q CA 0.115 55.742 55.803 -0.292 0.000 0.924 1188 Q CB 1.466 29.766 28.738 -0.731 0.000 1.256 1188 Q HN 0.610 nan 8.270 nan 0.000 0.519 1189 E N -1.322 118.905 120.200 0.044 0.000 2.343 1189 E HA 0.638 4.988 4.350 0.000 0.000 0.278 1189 E C -1.178 175.522 176.600 0.168 0.000 0.910 1189 E CA -0.453 56.003 56.400 0.093 0.000 0.757 1189 E CB 1.703 31.500 29.700 0.162 0.000 1.218 1189 E HN 0.711 nan 8.360 nan 0.000 0.435 1190 G N 0.969 109.836 108.800 0.111 0.000 2.340 1190 G HA2 0.244 4.204 3.960 0.000 0.000 0.299 1190 G HA3 0.244 4.204 3.960 0.000 0.000 0.299 1190 G C -1.305 173.624 174.900 0.047 0.000 1.291 1190 G CA -0.619 44.553 45.100 0.120 0.000 0.841 1190 G HN 0.364 nan 8.290 nan 0.000 0.500 1191 T N 0.686 115.272 114.554 0.053 0.000 2.767 1191 T HA 0.468 4.818 4.350 0.000 0.000 0.288 1191 T C -1.093 173.657 174.700 0.083 0.000 0.963 1191 T CA 0.090 62.215 62.100 0.041 0.000 1.019 1191 T CB 0.915 69.800 68.868 0.029 0.000 0.923 1191 T HN 0.468 nan 8.240 nan 0.000 0.468 1192 Y N 4.341 124.628 120.300 -0.023 0.000 2.341 1192 Y HA 0.562 5.112 4.550 0.000 0.000 0.340 1192 Y C -0.294 175.619 175.900 0.022 0.000 0.997 1192 Y CA -0.630 57.468 58.100 -0.002 0.000 1.149 1192 Y CB 0.710 39.154 38.460 -0.026 0.000 1.171 1192 Y HN 0.419 nan 8.280 nan 0.000 0.494 1193 V N 8.837 128.465 119.914 -0.477 0.000 2.483 1193 V HA 0.454 4.574 4.120 0.000 0.000 0.295 1193 V C -0.779 174.979 176.094 -0.561 0.000 1.035 1193 V CA -0.820 61.271 62.300 -0.349 0.000 0.896 1193 V CB 1.468 33.159 31.823 -0.220 0.000 0.986 1193 V HN 0.890 nan 8.190 nan 0.000 0.447 1194 M N 7.514 126.948 119.600 -0.278 0.000 2.227 1194 M HA 0.556 5.036 4.480 0.000 0.000 0.335 1194 M C -1.677 174.570 176.300 -0.088 0.000 1.053 1194 M CA -0.549 54.655 55.300 -0.159 0.000 0.973 1194 M CB 1.320 33.937 32.600 0.029 0.000 1.623 1194 M HN 0.699 nan 8.290 nan 0.000 0.434 1195 L N 2.852 124.049 121.223 -0.045 0.000 2.283 1195 L HA 0.825 5.165 4.340 0.000 0.000 0.259 1195 L C 0.926 177.849 176.870 0.088 0.000 1.027 1195 L CA -0.632 54.211 54.840 0.006 0.000 0.828 1195 L CB -0.258 41.785 42.059 -0.026 0.000 1.380 1195 L HN 0.670 nan 8.230 nan 0.000 0.425 1196 G N -1.031 107.831 108.800 0.103 0.000 2.402 1196 G HA2 0.382 4.342 3.960 0.000 0.000 0.216 1196 G HA3 0.382 4.342 3.960 0.000 0.000 0.216 1196 G C 0.750 175.764 174.900 0.189 0.000 1.162 1196 G CA 0.836 46.026 45.100 0.150 0.000 0.777 1196 G HN 1.416 nan 8.290 nan 0.000 0.539 1197 G N 0.152 109.016 108.800 0.106 0.000 2.681 1197 G HA2 -0.133 3.827 3.960 0.000 0.000 0.220 1197 G HA3 -0.133 3.827 3.960 0.000 0.000 0.220 1197 G C -0.891 174.044 174.900 0.057 0.000 1.353 1197 G CA 0.234 45.370 45.100 0.059 0.000 0.872 1197 G HN 0.422 nan 8.290 nan 0.000 0.557 1198 P HA 0.076 nan 4.420 nan 0.000 0.240 1198 P C 0.669 177.918 177.300 -0.085 0.000 1.190 1198 P CA 0.875 63.822 63.100 -0.255 0.000 0.781 1198 P CB -0.359 31.115 31.700 -0.376 0.000 0.931 1199 N N -0.070 118.631 118.700 0.002 0.000 2.444 1199 N HA 0.077 4.817 4.740 0.000 0.000 0.255 1199 N C -0.453 175.194 175.510 0.229 0.000 1.255 1199 N CA -0.397 52.697 53.050 0.073 0.000 0.933 1199 N CB 0.066 38.575 38.487 0.037 0.000 1.143 1199 N HN -0.098 nan 8.380 nan 0.000 0.453 1200 F N -0.362 119.546 119.950 -0.070 0.000 2.370 1200 F HA 0.226 4.753 4.527 0.000 0.000 0.319 1200 F C 1.018 176.796 175.800 -0.037 0.000 1.129 1200 F CA -1.074 56.894 58.000 -0.053 0.000 1.109 1200 F CB 0.870 39.843 39.000 -0.046 0.000 1.262 1200 F HN 0.429 nan 8.300 nan 0.000 0.534 1201 E N 0.433 120.685 120.200 0.087 0.000 2.404 1201 E HA 0.120 4.470 4.350 0.000 0.000 0.261 1201 E C 0.038 176.668 176.600 0.050 0.000 1.074 1201 E CA -0.159 56.260 56.400 0.031 0.000 0.917 1201 E CB 0.408 30.091 29.700 -0.030 0.000 0.965 1201 E HN 0.493 nan 8.360 nan 0.000 0.433 1202 T N -1.886 112.685 114.554 0.028 0.000 2.824 1202 T HA 0.188 4.538 4.350 0.000 0.000 0.277 1202 T C 1.224 175.932 174.700 0.015 0.000 0.975 1202 T CA -0.809 61.306 62.100 0.024 0.000 0.966 1202 T CB 0.722 69.600 68.868 0.016 0.000 1.054 1202 T HN 0.116 nan 8.240 nan 0.000 0.533 1203 V N 1.349 121.270 119.914 0.012 0.000 2.307 1203 V HA -0.092 4.028 4.120 0.000 0.000 0.245 1203 V C 3.136 179.231 176.094 0.001 0.000 1.045 1203 V CA 2.283 64.587 62.300 0.007 0.000 1.024 1203 V CB -1.621 30.207 31.823 0.007 0.000 0.651 1203 V HN 1.081 nan 8.190 nan 0.000 0.449 1204 A N -0.477 122.344 122.820 0.002 0.000 1.948 1204 A HA -0.290 4.030 4.320 0.000 0.000 0.220 1204 A C 2.144 179.726 177.584 -0.002 0.000 1.177 1204 A CA 2.179 54.216 52.037 0.001 0.000 0.636 1204 A CB -0.479 18.523 19.000 0.003 0.000 0.815 1204 A HN 0.662 nan 8.150 nan 0.000 0.449 1205 E N -1.021 119.178 120.200 -0.002 0.000 2.072 1205 E HA -0.143 4.207 4.350 0.000 0.000 0.190 1205 E C 2.078 178.667 176.600 -0.019 0.000 0.982 1205 E CA 1.185 57.580 56.400 -0.007 0.000 0.803 1205 E CB -0.338 29.358 29.700 -0.007 0.000 0.755 1205 E HN 0.688 nan 8.360 nan 0.000 0.453 1206 C N 0.677 119.964 119.300 -0.022 0.000 2.413 1206 C HA -0.122 4.338 4.460 0.000 0.000 0.276 1206 C C 2.562 177.533 174.990 -0.033 0.000 1.236 1206 C CA 0.671 59.668 59.018 -0.034 0.000 1.735 1206 C CB -0.892 26.831 27.740 -0.028 0.000 2.031 1206 C HN 0.387 nan 8.230 nan 0.000 0.474 1207 R N 0.400 120.887 120.500 -0.022 0.000 2.073 1207 R HA -0.127 4.213 4.340 0.000 0.000 0.234 1207 R C 2.294 178.582 176.300 -0.020 0.000 1.134 1207 R CA 1.393 57.480 56.100 -0.021 0.000 0.952 1207 R CB -0.592 29.700 30.300 -0.014 0.000 0.850 1207 R HN 0.591 nan 8.270 nan 0.000 0.433 1208 L N 0.993 122.208 121.223 -0.013 0.000 1.994 1208 L HA -0.199 4.141 4.340 0.000 0.000 0.208 1208 L C 2.088 178.951 176.870 -0.010 0.000 1.071 1208 L CA 1.561 56.397 54.840 -0.006 0.000 0.745 1208 L CB -0.263 41.797 42.059 0.001 0.000 0.892 1208 L HN 0.237 nan 8.230 nan 0.000 0.431 1209 L N -0.136 121.073 121.223 -0.023 0.000 2.012 1209 L HA -0.253 4.087 4.340 0.000 0.000 0.210 1209 L C 2.885 179.729 176.870 -0.043 0.000 1.073 1209 L CA 1.463 56.281 54.840 -0.037 0.000 0.748 1209 L CB -0.606 41.416 42.059 -0.063 0.000 0.891 1209 L HN 0.340 nan 8.230 nan 0.000 0.431 1210 R N 0.922 121.392 120.500 -0.050 0.000 2.083 1210 R HA -0.156 4.184 4.340 0.000 0.000 0.237 1210 R C 1.861 178.136 176.300 -0.041 0.000 1.137 1210 R CA 1.707 57.772 56.100 -0.059 0.000 0.951 1210 R CB -0.555 29.706 30.300 -0.065 0.000 0.851 1210 R HN 0.327 nan 8.270 nan 0.000 0.434 1211 N N 0.099 118.783 118.700 -0.026 0.000 2.520 1211 N HA -0.094 4.646 4.740 0.000 0.000 0.185 1211 N C 0.849 176.358 175.510 -0.002 0.000 1.068 1211 N CA 0.518 53.559 53.050 -0.015 0.000 0.911 1211 N CB -0.024 38.458 38.487 -0.008 0.000 0.961 1211 N HN 0.168 nan 8.380 nan 0.000 0.446 1212 L N -0.170 121.055 121.223 0.002 0.000 2.478 1212 L HA 0.147 4.487 4.340 0.000 0.000 0.223 1212 L C 1.407 178.289 176.870 0.019 0.000 1.140 1212 L CA 0.651 55.506 54.840 0.025 0.000 0.842 1212 L CB -0.696 41.384 42.059 0.035 0.000 0.953 1212 L HN 0.322 nan 8.230 nan 0.000 0.452 1213 G N -1.775 107.023 108.800 -0.004 0.000 2.144 1213 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 1213 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 1213 G C 0.463 175.350 174.900 -0.021 0.000 0.988 1213 G CA 0.023 45.117 45.100 -0.009 0.000 0.659 1213 G HN 0.666 nan 8.290 nan 0.000 0.522 1214 A N 0.045 122.843 122.820 -0.037 0.000 2.363 1214 A HA 0.642 4.962 4.320 0.000 0.000 0.270 1214 A C 0.954 178.486 177.584 -0.086 0.000 1.121 1214 A CA 0.442 52.447 52.037 -0.054 0.000 0.800 1214 A CB 0.485 19.438 19.000 -0.078 0.000 1.052 1214 A HN 0.164 nan 8.150 nan 0.000 0.493 1215 D N 0.635 120.992 120.400 -0.072 0.000 2.355 1215 D HA 0.311 4.951 4.640 0.000 0.000 0.206 1215 D C 0.530 176.795 176.300 -0.059 0.000 1.010 1215 D CA 1.378 55.297 54.000 -0.135 0.000 0.875 1215 D CB 0.556 41.317 40.800 -0.064 0.000 0.966 1215 D HN 0.667 nan 8.370 nan 0.000 0.512 1216 A N 0.611 123.431 122.820 -0.000 0.000 2.549 1216 A HA 0.564 4.884 4.320 0.000 0.000 0.297 1216 A C -0.933 176.538 177.584 -0.188 0.000 1.061 1216 A CA -0.653 51.394 52.037 0.017 0.000 0.690 1216 A CB 1.774 20.897 19.000 0.204 0.000 1.287 1216 A HN -0.096 nan 8.150 nan 0.000 0.402 1217 V N -0.019 119.769 119.914 -0.211 0.000 2.555 1217 V HA 0.968 5.088 4.120 0.000 0.000 0.302 1217 V C 0.485 176.388 176.094 -0.318 0.000 1.038 1217 V CA 0.117 62.207 62.300 -0.350 0.000 0.887 1217 V CB 0.995 32.658 31.823 -0.266 0.000 0.991 1217 V HN 1.658 nan 8.190 nan 0.000 0.434 1218 G N 2.406 110.953 108.800 -0.421 0.000 2.721 1218 G HA2 0.642 4.602 3.960 0.000 0.000 0.296 1218 G HA3 0.642 4.602 3.960 0.000 0.000 0.296 1218 G C -0.797 174.132 174.900 0.048 0.000 1.383 1218 G CA -0.875 44.203 45.100 -0.036 0.000 0.788 1218 G HN 0.581 nan 8.290 nan 0.000 0.500 1219 M N 1.308 121.047 119.600 0.232 0.000 2.785 1219 M HA 0.341 4.821 4.480 0.000 0.000 0.374 1219 M C 0.346 176.891 176.300 0.409 0.000 1.221 1219 M CA -0.330 55.146 55.300 0.293 0.000 0.912 1219 M CB 0.797 33.608 32.600 0.352 0.000 1.355 1219 M HN 0.614 nan 8.290 nan 0.000 0.513 1220 S N -2.767 113.167 115.700 0.389 0.000 3.003 1220 S HA 0.630 5.100 4.470 0.000 0.000 0.313 1220 S C 0.536 175.211 174.600 0.125 0.000 1.230 1220 S CA 0.239 58.597 58.200 0.264 0.000 0.977 1220 S CB 1.572 64.919 63.200 0.244 0.000 1.340 1220 S HN 0.227 nan 8.310 nan 0.000 0.608 1221 T N 0.164 114.701 114.554 -0.029 0.000 12.481 1221 T HA -0.270 4.080 4.350 0.000 0.000 0.418 1221 T C 1.369 175.975 174.700 -0.156 0.000 1.450 1221 T CA 1.765 63.781 62.100 -0.141 0.000 2.393 1221 T CB -2.170 66.498 68.868 -0.333 0.000 2.837 1221 T HN 1.029 nan 8.240 nan 0.000 0.792 1222 V N 2.776 122.599 119.914 -0.152 0.000 2.380 1222 V HA -0.155 3.965 4.120 0.000 0.000 0.251 1222 V C -0.274 175.611 176.094 -0.348 0.000 1.063 1222 V CA 2.711 64.818 62.300 -0.322 0.000 1.055 1222 V CB -1.456 30.122 31.823 -0.407 0.000 0.657 1222 V HN 0.461 nan 8.190 nan 0.000 0.455 1223 P HA -0.090 nan 4.420 nan 0.000 0.216 1223 P C 1.516 178.661 177.300 -0.258 0.000 1.153 1223 P CA 1.130 63.952 63.100 -0.464 0.000 0.844 1223 P CB 0.050 31.348 31.700 -0.670 0.000 0.787 1224 E N -0.609 119.475 120.200 -0.192 0.000 2.051 1224 E HA -0.126 4.224 4.350 0.000 0.000 0.192 1224 E C 2.030 178.552 176.600 -0.131 0.000 0.991 1224 E CA 1.011 57.325 56.400 -0.144 0.000 0.799 1224 E CB -1.231 28.398 29.700 -0.119 0.000 0.748 1224 E HN -0.036 nan 8.360 nan 0.000 0.449 1225 V N 0.863 120.698 119.914 -0.131 0.000 2.332 1225 V HA -0.267 3.853 4.120 0.000 0.000 0.248 1225 V C 2.155 178.190 176.094 -0.099 0.000 1.055 1225 V CA 1.660 63.886 62.300 -0.123 0.000 1.038 1225 V CB -0.387 31.383 31.823 -0.089 0.000 0.651 1225 V HN 0.277 nan 8.190 nan 0.000 0.450 1226 I N -0.627 119.891 120.570 -0.088 0.000 2.226 1226 I HA -0.204 3.966 4.170 0.000 0.000 0.245 1226 I C 2.319 178.405 176.117 -0.052 0.000 1.100 1226 I CA 1.215 62.483 61.300 -0.052 0.000 1.374 1226 I CB -0.287 37.663 38.000 -0.083 0.000 1.057 1226 I HN 0.139 nan 8.210 nan 0.000 0.413 1227 V N 0.802 120.659 119.914 -0.095 0.000 2.427 1227 V HA -0.256 3.864 4.120 0.000 0.000 0.248 1227 V C 2.638 178.691 176.094 -0.070 0.000 1.051 1227 V CA 1.791 64.035 62.300 -0.094 0.000 1.048 1227 V CB -0.866 30.868 31.823 -0.148 0.000 0.666 1227 V HN 0.479 nan 8.190 nan 0.000 0.456 1228 A N 0.047 122.817 122.820 -0.082 0.000 1.858 1228 A HA -0.200 4.120 4.320 0.000 0.000 0.216 1228 A C 2.355 179.911 177.584 -0.047 0.000 1.190 1228 A CA 1.548 53.543 52.037 -0.070 0.000 0.617 1228 A CB -0.449 18.504 19.000 -0.079 0.000 0.827 1228 A HN 0.384 nan 8.150 nan 0.000 0.443 1229 R N -0.877 119.597 120.500 -0.044 0.000 2.092 1229 R HA -0.103 4.237 4.340 0.000 0.000 0.231 1229 R C 2.132 178.440 176.300 0.013 0.000 1.119 1229 R CA 1.435 57.517 56.100 -0.030 0.000 0.970 1229 R CB -1.214 29.059 30.300 -0.045 0.000 0.864 1229 R HN 0.861 nan 8.270 nan 0.000 0.440 1230 H N 0.530 119.566 119.070 -0.056 0.000 2.387 1230 H HA -0.123 4.433 4.556 0.000 0.000 0.299 1230 H C 1.143 176.462 175.328 -0.016 0.000 1.099 1230 H CA 1.855 57.882 56.048 -0.036 0.000 1.315 1230 H CB 0.255 29.985 29.762 -0.053 0.000 1.380 1230 H HN 0.317 nan 8.280 nan 0.000 0.513 1231 C N -0.457 118.793 119.300 -0.084 0.000 2.614 1231 C HA 0.578 5.038 4.460 0.000 0.000 0.299 1231 C C 1.592 176.559 174.990 -0.038 0.000 1.293 1231 C CA 0.151 59.122 59.018 -0.078 0.000 1.713 1231 C CB -0.770 26.952 27.740 -0.030 0.000 1.890 1231 C HN 0.728 nan 8.230 nan 0.000 0.602 1232 G N 1.067 109.837 108.800 -0.050 0.000 2.143 1232 G HA2 -0.217 3.743 3.960 0.000 0.000 0.248 1232 G HA3 -0.217 3.743 3.960 0.000 0.000 0.248 1232 G C -0.179 174.713 174.900 -0.013 0.000 0.991 1232 G CA 0.302 45.385 45.100 -0.029 0.000 0.689 1232 G HN 0.690 nan 8.290 nan 0.000 0.522 1233 L N -0.071 121.143 121.223 -0.016 0.000 2.375 1233 L HA 0.497 4.837 4.340 0.000 0.000 0.271 1233 L C 1.252 178.114 176.870 -0.014 0.000 1.107 1233 L CA -0.955 53.881 54.840 -0.006 0.000 0.806 1233 L CB 0.987 43.042 42.059 -0.006 0.000 1.146 1233 L HN 0.339 nan 8.230 nan 0.000 0.447 1234 R N 1.758 122.262 120.500 0.007 0.000 2.490 1234 R HA 0.592 4.932 4.340 0.000 0.000 0.278 1234 R C -1.389 174.927 176.300 0.027 0.000 1.069 1234 R CA -0.375 55.738 56.100 0.022 0.000 1.080 1234 R CB 1.128 31.460 30.300 0.053 0.000 1.030 1234 R HN 0.437 nan 8.270 nan 0.000 0.491 1235 V N 5.091 125.019 119.914 0.025 0.000 2.841 1235 V HA 0.617 4.737 4.120 0.000 0.000 0.310 1235 V C -1.070 175.113 176.094 0.148 0.000 1.090 1235 V CA -0.638 61.658 62.300 -0.007 0.000 0.930 1235 V CB 1.648 33.369 31.823 -0.171 0.000 1.014 1235 V HN 0.820 nan 8.190 nan 0.000 0.425 1236 F N 1.092 121.010 119.950 -0.053 0.000 2.678 1236 F HA 1.001 5.528 4.527 0.000 0.000 0.308 1236 F C -0.222 175.481 175.800 -0.160 0.000 1.118 1236 F CA -0.308 57.654 58.000 -0.062 0.000 0.959 1236 F CB 1.723 40.650 39.000 -0.122 0.000 1.305 1236 F HN 0.827 nan 8.300 nan 0.000 0.443 1237 G N 0.789 109.403 108.800 -0.311 0.000 2.600 1237 G HA2 0.705 4.665 3.960 0.000 0.000 0.293 1237 G HA3 0.705 4.665 3.960 0.000 0.000 0.293 1237 G C -2.512 171.838 174.900 -0.917 0.000 1.408 1237 G CA -1.029 43.744 45.100 -0.546 0.000 0.782 1237 G HN 0.664 nan 8.290 nan 0.000 0.482 1238 F N -0.385 119.531 119.950 -0.057 0.000 2.601 1238 F HA 0.694 5.221 4.527 0.000 0.000 0.309 1238 F C 0.254 176.023 175.800 -0.051 0.000 1.089 1238 F CA -0.853 57.128 58.000 -0.033 0.000 0.940 1238 F CB 2.653 41.675 39.000 0.037 0.000 1.273 1238 F HN 0.356 nan 8.300 nan 0.000 0.450 1239 S N 2.460 118.248 115.700 0.146 0.000 2.509 1239 S HA 0.552 5.022 4.470 0.000 0.000 0.297 1239 S C -1.038 173.627 174.600 0.108 0.000 1.118 1239 S CA -0.684 57.586 58.200 0.116 0.000 1.074 1239 S CB 1.482 64.779 63.200 0.162 0.000 1.038 1239 S HN 0.590 nan 8.310 nan 0.000 0.498 1240 L N 4.773 126.057 121.223 0.101 0.000 2.262 1240 L HA 0.442 4.782 4.340 0.000 0.000 0.288 1240 L C -1.019 175.896 176.870 0.074 0.000 1.035 1240 L CA -0.761 54.122 54.840 0.072 0.000 0.820 1240 L CB 0.346 42.453 42.059 0.080 0.000 1.204 1240 L HN 0.565 nan 8.230 nan 0.000 0.424 1241 I N 5.301 125.898 120.570 0.045 0.000 2.471 1241 I HA 0.001 4.171 4.170 0.000 0.000 0.294 1241 I C 1.606 177.770 176.117 0.078 0.000 1.123 1241 I CA 0.241 61.587 61.300 0.077 0.000 1.336 1241 I CB 0.337 38.379 38.000 0.071 0.000 1.430 1241 I HN 0.594 nan 8.210 nan 0.000 0.533 1242 T N 2.219 116.829 114.554 0.093 0.000 3.107 1242 T HA 0.148 4.498 4.350 0.000 0.000 0.249 1242 T C 0.373 175.133 174.700 0.100 0.000 1.096 1242 T CA -0.273 61.882 62.100 0.092 0.000 1.012 1242 T CB -0.431 68.499 68.868 0.103 0.000 0.977 1242 T HN 0.731 nan 8.240 nan 0.000 0.527 1243 N N -0.934 117.829 118.700 0.105 0.000 2.815 1243 N HA 0.296 5.036 4.740 0.000 0.000 0.253 1243 N C -1.922 173.648 175.510 0.099 0.000 1.202 1243 N CA -1.197 51.917 53.050 0.107 0.000 0.925 1243 N CB 1.266 39.839 38.487 0.144 0.000 1.622 1243 N HN -0.107 nan 8.380 nan 0.000 0.497 1244 K N 1.315 121.768 120.400 0.088 0.000 2.183 1244 K HA 0.397 4.717 4.320 0.000 0.000 0.274 1244 K C -0.485 176.150 176.600 0.059 0.000 1.009 1244 K CA -0.844 55.487 56.287 0.074 0.000 0.888 1244 K CB 1.821 34.360 32.500 0.066 0.000 1.078 1244 K HN 0.403 nan 8.250 nan 0.000 0.459 1245 V N 3.926 123.861 119.914 0.034 0.000 2.811 1245 V HA 0.047 4.167 4.120 0.000 0.000 0.302 1245 V C 0.840 176.951 176.094 0.028 0.000 1.063 1245 V CA -0.680 61.638 62.300 0.029 0.000 1.088 1245 V CB 0.411 32.227 31.823 -0.011 0.000 0.982 1245 V HN 0.576 nan 8.190 nan 0.000 0.485 1246 I N 5.104 125.698 120.570 0.040 0.000 2.671 1246 I HA 0.022 4.192 4.170 0.000 0.000 0.285 1246 I C 0.868 176.994 176.117 0.014 0.000 1.148 1246 I CA 0.545 61.863 61.300 0.030 0.000 1.386 1246 I CB 0.236 38.258 38.000 0.036 0.000 1.406 1246 I HN 0.665 nan 8.210 nan 0.000 0.540 1247 M N 4.460 124.064 119.600 0.007 0.000 2.428 1247 M HA 0.093 4.573 4.480 0.000 0.000 0.239 1247 M C -0.171 176.128 176.300 -0.002 0.000 1.121 1247 M CA 0.328 55.627 55.300 -0.003 0.000 1.019 1247 M CB -0.736 31.858 32.600 -0.011 0.000 1.485 1247 M HN 0.670 nan 8.290 nan 0.000 0.484 1267 A N 0.542 123.383 122.820 0.035 0.000 2.169 1267 A HA 0.443 4.763 4.320 0.000 0.000 0.212 1267 A C 1.760 179.374 177.584 0.050 0.000 1.153 1267 A CA 1.351 53.414 52.037 0.044 0.000 0.756 1267 A CB -0.530 18.500 19.000 0.050 0.000 0.813 1267 A HN 0.560 nan 8.150 nan 0.000 0.471 1268 A N -0.217 122.631 122.820 0.045 0.000 1.930 1268 A HA -0.171 4.149 4.320 0.000 0.000 0.217 1268 A C 2.044 179.654 177.584 0.042 0.000 1.175 1268 A CA 1.507 53.573 52.037 0.048 0.000 0.627 1268 A CB -0.455 18.572 19.000 0.045 0.000 0.815 1268 A HN 0.590 nan 8.150 nan 0.000 0.443 1269 Q N -0.514 119.305 119.800 0.031 0.000 2.170 1269 Q HA -0.192 4.148 4.340 0.000 0.000 0.203 1269 Q C 2.136 178.151 176.000 0.024 0.000 0.976 1269 Q CA 1.715 57.532 55.803 0.022 0.000 0.858 1269 Q CB -0.173 28.572 28.738 0.011 0.000 0.907 1269 Q HN 0.744 nan 8.270 nan 0.000 0.433 1270 K N 0.952 121.368 120.400 0.027 0.000 2.026 1270 K HA -0.140 4.180 4.320 0.000 0.000 0.208 1270 K C 1.999 178.650 176.600 0.086 0.000 1.048 1270 K CA 0.860 57.162 56.287 0.024 0.000 0.929 1270 K CB -0.127 32.389 32.500 0.027 0.000 0.713 1270 K HN 0.220 nan 8.250 nan 0.000 0.439 1271 L N 1.146 122.428 121.223 0.099 0.000 2.083 1271 L HA -0.183 4.157 4.340 0.000 0.000 0.209 1271 L C 2.084 179.006 176.870 0.087 0.000 1.083 1271 L CA 1.538 56.447 54.840 0.115 0.000 0.752 1271 L CB -0.245 41.859 42.059 0.075 0.000 0.899 1271 L HN 0.368 nan 8.230 nan 0.000 0.433 1272 E N -0.490 119.745 120.200 0.058 0.000 2.038 1272 E HA -0.350 4.000 4.350 0.000 0.000 0.195 1272 E C 2.019 178.648 176.600 0.047 0.000 1.000 1272 E CA 1.791 58.214 56.400 0.038 0.000 0.803 1272 E CB -0.192 29.524 29.700 0.027 0.000 0.750 1272 E HN 0.551 nan 8.360 nan 0.000 0.448 1273 Q N 0.240 120.073 119.800 0.055 0.000 2.096 1273 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 1273 Q C 2.120 178.196 176.000 0.128 0.000 0.982 1273 Q CA 1.296 57.133 55.803 0.057 0.000 0.850 1273 Q CB -0.239 28.511 28.738 0.021 0.000 0.901 1273 Q HN 0.221 nan 8.270 nan 0.000 0.422 1274 F N 0.977 120.896 119.950 -0.052 0.000 2.095 1274 F HA -0.176 4.351 4.527 0.000 0.000 0.298 1274 F C 2.020 177.786 175.800 -0.057 0.000 1.104 1274 F CA 1.229 59.194 58.000 -0.058 0.000 1.232 1274 F CB -0.648 38.310 39.000 -0.070 0.000 0.987 1274 F HN -0.043 nan 8.300 nan 0.000 0.475 1275 V N -0.636 119.216 119.914 -0.102 0.000 2.427 1275 V HA -0.258 3.862 4.120 0.000 0.000 0.248 1275 V C 2.464 178.531 176.094 -0.045 0.000 1.051 1275 V CA 1.900 64.115 62.300 -0.141 0.000 1.048 1275 V CB -0.985 30.799 31.823 -0.066 0.000 0.666 1275 V HN 0.313 nan 8.190 nan 0.000 0.456 1276 S N 0.136 115.834 115.700 -0.004 0.000 2.382 1276 S HA -0.097 4.373 4.470 0.000 0.000 0.228 1276 S C 1.914 176.524 174.600 0.016 0.000 1.027 1276 S CA 1.109 59.315 58.200 0.009 0.000 0.991 1276 S CB -0.261 62.949 63.200 0.016 0.000 0.823 1276 S HN 0.322 nan 8.310 nan 0.000 0.469 1277 L N 1.051 122.292 121.223 0.030 0.000 2.056 1277 L HA 0.018 4.358 4.340 0.000 0.000 0.207 1277 L C 2.079 178.958 176.870 0.015 0.000 1.078 1277 L CA 1.253 56.118 54.840 0.043 0.000 0.749 1277 L CB -1.471 40.653 42.059 0.108 0.000 0.901 1277 L HN 0.312 nan 8.230 nan 0.000 0.433 1278 L N -0.928 120.272 121.223 -0.038 0.000 2.265 1278 L HA -0.170 4.170 4.340 0.000 0.000 0.215 1278 L C 2.525 179.410 176.870 0.026 0.000 1.117 1278 L CA 1.189 56.004 54.840 -0.041 0.000 0.782 1278 L CB -0.970 41.051 42.059 -0.063 0.000 0.914 1278 L HN 0.236 nan 8.230 nan 0.000 0.441 1279 M N -0.793 118.832 119.600 0.042 0.000 2.144 1279 M HA -0.198 4.282 4.480 0.000 0.000 0.260 1279 M C 2.335 178.653 176.300 0.031 0.000 1.067 1279 M CA 1.848 57.178 55.300 0.049 0.000 1.095 1279 M CB -1.332 31.285 32.600 0.029 0.000 1.365 1279 M HN 0.299 nan 8.290 nan 0.000 0.406 1280 A N -0.978 121.853 122.820 0.018 0.000 2.067 1280 A HA -0.048 4.272 4.320 0.000 0.000 0.219 1280 A C 2.224 179.810 177.584 0.003 0.000 1.158 1280 A CA 1.647 53.691 52.037 0.012 0.000 0.661 1280 A CB -0.507 18.501 19.000 0.013 0.000 0.801 1280 A HN 0.509 nan 8.150 nan 0.000 0.452 1281 S N -0.551 115.143 115.700 -0.010 0.000 2.575 1281 S HA 0.296 4.766 4.470 0.000 0.000 0.215 1281 S C 0.387 174.955 174.600 -0.053 0.000 0.966 1281 S CA -0.245 57.934 58.200 -0.035 0.000 0.911 1281 S CB -0.196 62.967 63.200 -0.062 0.000 0.780 1281 S HN 0.467 nan 8.310 nan 0.000 0.514 1282 I N 4.155 124.714 120.570 -0.018 0.000 2.352 1282 I HA 0.206 4.376 4.170 0.000 0.000 0.290 1282 I C -2.104 174.019 176.117 0.010 0.000 1.036 1282 I CA -2.447 58.856 61.300 0.005 0.000 1.336 1282 I CB 0.708 38.757 38.000 0.083 0.000 1.407 1282 I HN -0.052 nan 8.210 nan 0.000 0.497 1283 P HA -0.035 nan 4.420 nan 0.000 0.266 1283 P C 0.274 177.583 177.300 0.015 0.000 1.180 1283 P CA 0.225 63.329 63.100 0.006 0.000 0.765 1283 P CB 0.583 32.285 31.700 0.004 0.000 0.806 1284 V N 0.000 119.921 119.914 0.012 0.000 2.409 1284 V HA 0.000 4.120 4.120 0.000 0.000 0.244 1284 V CA 0.000 62.309 62.300 0.014 0.000 1.235 1284 V CB 0.000 31.832 31.823 0.016 0.000 1.184 1284 V HN 0.000 nan 8.190 nan 0.000 0.556