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 1lur_1_A DATA FIRST_RESID 1002 DATA SEQUENCE ASGFIEIANK QGLTATLLPF GATLAKLTFP DKNGKNQDLV LGFDTIDEFE DATA SEQUENCE KDAASIGKTV GRVANRIKNS TLHFDGKQYT XTPNNGPHYL HGGPNGLGYR DATA SEQUENCE KWEVVRHAPE SVSFSVRANE QDDGLPGDAK IDVTYTVNDR NQLIIEHHAT DATA SEQUENCE CDTPGLLALT NHAYWNLDGS DTVAEHFLEX EADEFVEVDD TFCPTGAIRS DATA SEQUENCE VTDTGFDFRS GKQLKESGKD AEELLDLDND LVITKKTPXX XXSTYLRFWS DATA SEQUENCE EKSGIELSIT TSYPVIHLYA SKFLDCKGKK GEHYKANKAL AIEPQFHSAA DATA SEQUENCE PNFDHFPDVS LRPGDHYCQE IVYTFSHVN 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 1002 A HA 0.000 nan 4.320 nan 0.000 0.244 1002 A C 0.000 177.563 177.584 -0.034 0.000 1.274 1002 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 1002 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 1003 S N -0.266 115.399 115.700 -0.059 0.000 3.362 1003 S HA 0.993 5.463 4.470 -0.000 0.000 0.235 1003 S C 0.398 174.943 174.600 -0.091 0.000 1.026 1003 S CA -0.003 58.165 58.200 -0.053 0.000 1.257 1003 S CB 1.117 64.291 63.200 -0.043 0.000 1.187 1003 S HN 2.708 nan 8.310 nan 0.000 0.660 1004 G N -0.417 108.308 108.800 -0.126 0.000 2.442 1004 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 1004 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 1004 G C -1.448 173.374 174.900 -0.130 0.000 1.564 1004 G CA -0.996 44.011 45.100 -0.155 0.000 0.828 1004 G HN 0.446 nan 8.290 nan 0.000 0.571 1005 F N 0.313 120.259 119.950 -0.006 0.000 2.602 1005 F HA 0.427 4.954 4.527 -0.000 0.000 0.367 1005 F C 1.225 177.019 175.800 -0.010 0.000 1.126 1005 F CA 0.296 58.282 58.000 -0.024 0.000 1.321 1005 F CB 0.650 39.637 39.000 -0.021 0.000 1.094 1005 F HN 0.163 nan 8.300 nan 0.000 0.594 1006 I N 2.832 123.525 120.570 0.205 0.000 2.406 1006 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 1006 I C -0.444 175.721 176.117 0.081 0.000 0.999 1006 I CA -0.626 60.743 61.300 0.115 0.000 1.124 1006 I CB 1.757 39.821 38.000 0.107 0.000 1.289 1006 I HN 0.543 nan 8.210 nan 0.000 0.441 1007 E N 6.607 126.840 120.200 0.055 0.000 2.195 1007 E HA 0.685 5.035 4.350 -0.000 0.000 0.271 1007 E C -1.028 175.589 176.600 0.028 0.000 0.923 1007 E CA -0.743 55.672 56.400 0.025 0.000 0.790 1007 E CB 2.941 32.651 29.700 0.016 0.000 1.155 1007 E HN 0.513 nan 8.360 nan 0.000 0.402 1008 I N -1.363 119.218 120.570 0.018 0.000 2.865 1008 I HA 0.945 5.114 4.170 -0.000 0.000 0.302 1008 I C -1.089 175.045 176.117 0.028 0.000 1.140 1008 I CA -0.900 60.418 61.300 0.031 0.000 1.021 1008 I CB 2.308 40.333 38.000 0.042 0.000 1.233 1008 I HN 0.561 nan 8.210 nan 0.000 0.427 1009 A N 2.789 125.632 122.820 0.037 0.000 2.597 1009 A HA 0.644 4.964 4.320 -0.000 0.000 0.292 1009 A C -1.396 176.218 177.584 0.050 0.000 1.057 1009 A CA -0.731 51.331 52.037 0.041 0.000 0.674 1009 A CB 1.524 20.543 19.000 0.030 0.000 1.278 1009 A HN 0.978 nan 8.150 nan 0.000 0.416 1010 N N 0.273 119.010 118.700 0.062 0.000 2.717 1010 N HA 0.425 5.165 4.740 -0.000 0.000 0.314 1010 N C -0.035 175.508 175.510 0.054 0.000 1.324 1010 N CA -0.486 52.602 53.050 0.064 0.000 0.902 1010 N CB 0.302 38.841 38.487 0.086 0.000 1.126 1010 N HN 0.366 nan 8.380 nan 0.000 0.579 1011 K N -0.919 119.513 120.400 0.053 0.000 2.372 1011 K HA 0.153 4.473 4.320 -0.000 0.000 0.200 1011 K C 0.078 176.702 176.600 0.042 0.000 1.022 1011 K CA 0.307 56.618 56.287 0.040 0.000 1.125 1011 K CB 0.248 32.768 32.500 0.032 0.000 0.855 1011 K HN 0.513 nan 8.250 nan 0.000 0.524 1012 Q N -0.522 119.317 119.800 0.064 0.000 2.179 1012 Q HA 0.224 4.564 4.340 -0.000 0.000 0.213 1012 Q C 0.488 176.517 176.000 0.048 0.000 0.833 1012 Q CA 0.261 56.102 55.803 0.063 0.000 0.990 1012 Q CB 1.278 30.078 28.738 0.104 0.000 1.132 1012 Q HN 0.372 nan 8.270 nan 0.000 0.493 1013 G N 0.622 109.448 108.800 0.044 0.000 2.131 1013 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 1013 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 1013 G C -0.783 174.165 174.900 0.081 0.000 1.000 1013 G CA -0.120 44.986 45.100 0.010 0.000 0.680 1013 G HN 0.223 nan 8.290 nan 0.000 0.514 1014 L N 1.772 123.086 121.223 0.152 0.000 2.305 1014 L HA 0.881 5.220 4.340 -0.000 0.000 0.284 1014 L C -0.152 176.760 176.870 0.069 0.000 1.013 1014 L CA -0.254 54.697 54.840 0.185 0.000 0.819 1014 L CB 1.870 44.055 42.059 0.209 0.000 1.227 1014 L HN 0.093 nan 8.230 nan 0.000 0.417 1015 T N 4.168 118.734 114.554 0.021 0.000 2.876 1015 T HA 0.896 5.245 4.350 -0.000 0.000 0.289 1015 T C -0.907 173.767 174.700 -0.043 0.000 1.014 1015 T CA -0.413 61.684 62.100 -0.005 0.000 0.986 1015 T CB 1.739 70.600 68.868 -0.011 0.000 1.021 1015 T HN 0.808 nan 8.240 nan 0.000 0.458 1016 A N 1.923 124.720 122.820 -0.039 0.000 2.393 1016 A HA 0.774 5.094 4.320 -0.000 0.000 0.306 1016 A C -0.335 177.198 177.584 -0.085 0.000 1.050 1016 A CA -0.762 51.232 52.037 -0.072 0.000 0.724 1016 A CB 1.285 20.257 19.000 -0.047 0.000 1.248 1016 A HN 0.676 nan 8.150 nan 0.000 0.424 1017 T N 3.891 118.370 114.554 -0.126 0.000 2.786 1017 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 1017 T C -0.379 174.244 174.700 -0.129 0.000 0.992 1017 T CA -0.391 61.644 62.100 -0.107 0.000 0.954 1017 T CB 0.539 69.304 68.868 -0.170 0.000 0.934 1017 T HN 0.416 nan 8.240 nan 0.000 0.440 1018 L N 3.019 124.206 121.223 -0.059 0.000 2.313 1018 L HA 0.714 5.053 4.340 -0.000 0.000 0.268 1018 L C -0.446 176.445 176.870 0.036 0.000 1.010 1018 L CA -1.120 53.664 54.840 -0.093 0.000 0.814 1018 L CB 1.340 43.400 42.059 0.001 0.000 1.304 1018 L HN 0.488 nan 8.230 nan 0.000 0.441 1019 L N 2.375 123.505 121.223 -0.155 0.000 2.438 1019 L HA 0.529 4.869 4.340 -0.000 0.000 0.270 1019 L C -2.015 174.605 176.870 -0.418 0.000 0.972 1019 L CA -1.329 53.379 54.840 -0.220 0.000 0.831 1019 L CB 2.226 44.074 42.059 -0.350 0.000 1.273 1019 L HN 0.206 nan 8.230 nan 0.000 0.405 1020 P HA -0.186 nan 4.420 nan 0.000 0.216 1020 P C -0.004 177.154 177.300 -0.237 0.000 1.150 1020 P CA 1.140 64.060 63.100 -0.300 0.000 0.843 1020 P CB -0.039 31.717 31.700 0.093 0.000 0.787 1021 F N 0.538 120.351 119.950 -0.229 0.000 2.533 1021 F HA 0.371 4.898 4.527 -0.000 0.000 0.378 1021 F C 1.453 177.148 175.800 -0.174 0.000 1.070 1021 F CA 0.595 58.533 58.000 -0.103 0.000 1.172 1021 F CB -0.654 38.300 39.000 -0.076 0.000 1.085 1021 F HN 0.210 nan 8.300 nan 0.000 0.552 1022 G N 4.268 112.697 108.800 -0.619 0.000 2.166 1022 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.260 1022 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.260 1022 G C 0.698 175.128 174.900 -0.783 0.000 0.986 1022 G CA 0.339 45.086 45.100 -0.589 0.000 0.683 1022 G HN 2.235 nan 8.290 nan 0.000 0.527 1023 A N -1.635 120.452 122.820 -1.223 0.000 2.511 1023 A HA 0.000 4.320 4.320 -0.000 0.000 0.297 1023 A C 0.945 178.121 177.584 -0.679 0.000 1.476 1023 A CA 2.053 53.215 52.037 -1.458 0.000 0.757 1023 A CB -1.971 15.818 19.000 -2.020 0.000 1.072 1023 A HN 1.764 nan 8.150 nan 0.000 0.413 1024 T N 0.356 114.574 114.554 -0.560 0.000 2.897 1024 T HA 0.455 4.805 4.350 -0.000 0.000 0.294 1024 T C 0.237 174.719 174.700 -0.364 0.000 1.004 1024 T CA 0.024 61.917 62.100 -0.345 0.000 1.106 1024 T CB 1.188 69.858 68.868 -0.331 0.000 0.949 1024 T HN 0.998 nan 8.240 nan 0.000 0.520 1025 L N 3.744 124.809 121.223 -0.262 0.000 2.302 1025 L HA 0.548 4.888 4.340 -0.000 0.000 0.285 1025 L C 1.051 177.782 176.870 -0.232 0.000 1.090 1025 L CA -0.217 54.422 54.840 -0.336 0.000 0.866 1025 L CB -0.534 41.403 42.059 -0.204 0.000 1.244 1025 L HN 0.776 nan 8.230 nan 0.000 0.435 1026 A N 5.228 127.899 122.820 -0.249 0.000 1.872 1026 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 1026 A C 0.775 178.312 177.584 -0.078 0.000 1.187 1026 A CA 1.089 53.036 52.037 -0.150 0.000 0.614 1026 A CB -0.029 18.860 19.000 -0.184 0.000 0.826 1026 A HN 0.660 nan 8.150 nan 0.000 0.442 1027 K N -2.207 118.095 120.400 -0.163 0.000 2.509 1027 K HA 0.743 5.062 4.320 -0.000 0.000 0.266 1027 K C -1.667 174.838 176.600 -0.158 0.000 0.987 1027 K CA -0.520 55.674 56.287 -0.155 0.000 0.868 1027 K CB 2.271 34.675 32.500 -0.161 0.000 1.421 1027 K HN 0.137 nan 8.250 nan 0.000 0.444 1028 L N 1.779 122.921 121.223 -0.135 0.000 2.666 1028 L HA 0.260 4.600 4.340 -0.000 0.000 0.258 1028 L C -1.260 175.555 176.870 -0.093 0.000 0.991 1028 L CA -0.246 54.518 54.840 -0.126 0.000 0.916 1028 L CB 1.661 43.652 42.059 -0.113 0.000 1.199 1028 L HN 0.885 nan 8.230 nan 0.000 0.439 1029 T N 0.473 114.987 114.554 -0.067 0.000 2.875 1029 T HA 0.697 5.047 4.350 -0.000 0.000 0.284 1029 T C -0.771 173.970 174.700 0.068 0.000 0.995 1029 T CA -0.482 61.614 62.100 -0.008 0.000 1.060 1029 T CB 1.879 70.739 68.868 -0.013 0.000 0.967 1029 T HN 0.329 nan 8.240 nan 0.000 0.476 1030 F N 3.705 123.588 119.950 -0.112 0.000 2.622 1030 F HA 0.483 5.010 4.527 -0.000 0.000 0.318 1030 F C -2.694 173.102 175.800 -0.007 0.000 1.135 1030 F CA -2.175 55.767 58.000 -0.096 0.000 1.015 1030 F CB 2.190 41.073 39.000 -0.195 0.000 1.275 1030 F HN 0.446 nan 8.300 nan 0.000 0.457 1031 P HA 0.121 nan 4.420 nan 0.000 0.268 1031 P C -0.905 176.356 177.300 -0.065 0.000 1.204 1031 P CA 0.087 63.047 63.100 -0.234 0.000 0.768 1031 P CB 1.036 32.573 31.700 -0.272 0.000 0.842 1032 D N 2.508 122.943 120.400 0.059 0.000 2.440 1032 D HA 0.049 4.689 4.640 -0.000 0.000 0.269 1032 D C 1.464 177.881 176.300 0.195 0.000 1.249 1032 D CA -0.533 53.568 54.000 0.168 0.000 1.055 1032 D CB 0.274 41.135 40.800 0.101 0.000 1.104 1032 D HN 0.360 nan 8.370 nan 0.000 0.561 1033 K N -0.885 119.632 120.400 0.195 0.000 2.209 1033 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 1033 K C 0.462 177.043 176.600 -0.033 0.000 1.048 1033 K CA 0.988 57.311 56.287 0.060 0.000 0.940 1033 K CB -0.430 32.115 32.500 0.074 0.000 0.729 1033 K HN 0.197 nan 8.250 nan 0.000 0.451 1034 N N 0.753 119.450 118.700 -0.005 0.000 2.314 1034 N HA 0.051 4.791 4.740 -0.000 0.000 0.200 1034 N C 0.571 176.057 175.510 -0.039 0.000 1.135 1034 N CA 0.827 53.863 53.050 -0.024 0.000 0.835 1034 N CB 0.948 39.431 38.487 -0.007 0.000 0.989 1034 N HN 0.558 nan 8.380 nan 0.000 0.478 1035 G N 1.282 110.048 108.800 -0.056 0.000 2.168 1035 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 1035 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 1035 G C 0.133 175.000 174.900 -0.054 0.000 0.997 1035 G CA 0.402 45.456 45.100 -0.075 0.000 0.708 1035 G HN 0.450 nan 8.290 nan 0.000 0.520 1036 K N 0.495 120.878 120.400 -0.028 0.000 2.183 1036 K HA 0.327 4.647 4.320 -0.000 0.000 0.274 1036 K C 0.400 176.991 176.600 -0.014 0.000 1.009 1036 K CA -0.723 55.553 56.287 -0.018 0.000 0.888 1036 K CB 0.259 32.758 32.500 -0.002 0.000 1.078 1036 K HN 0.307 nan 8.250 nan 0.000 0.459 1037 N N 3.094 121.781 118.700 -0.021 0.000 2.454 1037 N HA -0.075 4.665 4.740 -0.000 0.000 0.260 1037 N C -0.805 174.713 175.510 0.015 0.000 1.218 1037 N CA 0.186 53.227 53.050 -0.014 0.000 0.904 1037 N CB 0.621 39.097 38.487 -0.019 0.000 1.065 1037 N HN 0.382 nan 8.380 nan 0.000 0.462 1038 Q N 1.958 121.782 119.800 0.041 0.000 2.323 1038 Q HA 0.187 4.527 4.340 -0.000 0.000 0.271 1038 Q C -1.736 174.302 176.000 0.064 0.000 1.048 1038 Q CA -0.729 55.110 55.803 0.061 0.000 0.792 1038 Q CB 1.284 30.078 28.738 0.092 0.000 1.280 1038 Q HN 0.395 nan 8.270 nan 0.000 0.441 1039 D N 4.125 124.551 120.400 0.042 0.000 2.325 1039 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 1039 D C 0.387 176.718 176.300 0.052 0.000 1.196 1039 D CA 0.050 54.060 54.000 0.017 0.000 0.866 1039 D CB 0.909 41.702 40.800 -0.012 0.000 1.101 1039 D HN 0.776 nan 8.370 nan 0.000 0.476 1040 L N 3.226 124.500 121.223 0.085 0.000 2.492 1040 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 1040 L C 0.854 177.786 176.870 0.103 0.000 1.132 1040 L CA 0.105 55.076 54.840 0.220 0.000 0.850 1040 L CB -0.192 42.138 42.059 0.452 0.000 0.966 1040 L HN 0.262 nan 8.230 nan 0.000 0.454 1041 V N -2.677 117.148 119.914 -0.148 0.000 2.769 1041 V HA 0.468 4.588 4.120 -0.000 0.000 0.312 1041 V C 0.076 176.017 176.094 -0.254 0.000 1.061 1041 V CA -1.166 60.917 62.300 -0.362 0.000 0.931 1041 V CB 2.052 33.491 31.823 -0.641 0.000 1.010 1041 V HN -0.044 nan 8.190 nan 0.000 0.433 1042 L N 3.122 124.155 121.223 -0.317 0.000 2.468 1042 L HA 0.837 5.177 4.340 -0.000 0.000 0.253 1042 L C 1.136 177.803 176.870 -0.339 0.000 1.237 1042 L CA 0.889 55.470 54.840 -0.432 0.000 0.823 1042 L CB 0.445 42.020 42.059 -0.807 0.000 1.124 1042 L HN 1.192 nan 8.230 nan 0.000 0.504 1043 G N -0.736 107.805 108.800 -0.432 0.000 2.399 1043 G HA2 0.365 4.325 3.960 -0.000 0.000 0.256 1043 G HA3 0.365 4.325 3.960 -0.000 0.000 0.256 1043 G C -1.982 172.246 174.900 -1.120 0.000 1.236 1043 G CA -0.685 44.025 45.100 -0.650 0.000 0.914 1043 G HN 0.261 nan 8.290 nan 0.000 0.482 1044 F N -0.161 119.545 119.950 -0.406 0.000 2.599 1044 F HA 0.502 5.029 4.527 -0.000 0.000 0.311 1044 F C 0.304 176.115 175.800 0.019 0.000 1.076 1044 F CA -0.867 56.955 58.000 -0.297 0.000 0.937 1044 F CB 2.202 40.851 39.000 -0.585 0.000 1.282 1044 F HN 0.329 nan 8.300 nan 0.000 0.460 1045 D N -0.188 120.341 120.400 0.214 0.000 2.317 1045 D HA 0.002 4.642 4.640 -0.000 0.000 0.211 1045 D C 0.880 177.362 176.300 0.303 0.000 0.966 1045 D CA 1.124 55.228 54.000 0.175 0.000 0.876 1045 D CB 0.074 40.930 40.800 0.093 0.000 0.927 1045 D HN 0.557 nan 8.370 nan 0.000 0.519 1046 T N -2.953 111.813 114.554 0.354 0.000 2.924 1046 T HA 0.472 4.822 4.350 -0.000 0.000 0.291 1046 T C 1.418 176.384 174.700 0.443 0.000 1.045 1046 T CA -0.794 61.520 62.100 0.356 0.000 1.015 1046 T CB 1.563 70.520 68.868 0.148 0.000 1.103 1046 T HN -0.199 nan 8.240 nan 0.000 0.496 1047 I N 0.562 121.259 120.570 0.213 0.000 2.202 1047 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 1047 I C 2.568 178.710 176.117 0.041 0.000 1.091 1047 I CA 1.306 62.612 61.300 0.010 0.000 1.368 1047 I CB -0.238 37.591 38.000 -0.284 0.000 1.058 1047 I HN 0.812 nan 8.210 nan 0.000 0.410 1048 D N 1.016 121.397 120.400 -0.031 0.000 2.149 1048 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 1048 D C 1.965 178.189 176.300 -0.126 0.000 0.990 1048 D CA 1.362 55.303 54.000 -0.099 0.000 0.839 1048 D CB 0.064 40.808 40.800 -0.094 0.000 0.948 1048 D HN 0.426 nan 8.370 nan 0.000 0.460 1049 E N -0.850 119.264 120.200 -0.144 0.000 2.153 1049 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 1049 E C 2.044 178.294 176.600 -0.583 0.000 0.988 1049 E CA 0.607 56.736 56.400 -0.452 0.000 0.811 1049 E CB -0.121 29.246 29.700 -0.554 0.000 0.746 1049 E HN 0.323 nan 8.360 nan 0.000 0.466 1050 F N 1.421 121.302 119.950 -0.115 0.000 2.163 1050 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 1050 F C 2.090 177.961 175.800 0.118 0.000 1.094 1050 F CA 1.113 59.208 58.000 0.159 0.000 1.290 1050 F CB -0.004 39.173 39.000 0.295 0.000 1.017 1050 F HN -0.058 nan 8.300 nan 0.000 0.483 1051 E N -0.273 119.960 120.200 0.055 0.000 2.338 1051 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 1051 E C 1.564 178.149 176.600 -0.024 0.000 1.007 1051 E CA 0.793 57.027 56.400 -0.277 0.000 0.849 1051 E CB -0.095 29.224 29.700 -0.636 0.000 0.774 1051 E HN 0.423 nan 8.360 nan 0.000 0.506 1052 K N 0.605 120.974 120.400 -0.052 0.000 2.354 1052 K HA 0.024 4.343 4.320 -0.000 0.000 0.194 1052 K C 0.202 176.791 176.600 -0.019 0.000 1.038 1052 K CA -0.171 56.080 56.287 -0.060 0.000 1.052 1052 K CB 0.402 32.812 32.500 -0.150 0.000 0.861 1052 K HN -0.012 nan 8.250 nan 0.000 0.535 1053 D N 0.237 120.642 120.400 0.009 0.000 2.423 1053 D HA 0.018 4.658 4.640 -0.000 0.000 0.238 1053 D C 0.337 176.783 176.300 0.243 0.000 1.142 1053 D CA 0.185 54.245 54.000 0.100 0.000 0.884 1053 D CB 1.103 42.076 40.800 0.288 0.000 1.199 1053 D HN 0.153 nan 8.370 nan 0.000 0.438 1054 A N 2.535 125.479 122.820 0.206 0.000 2.508 1054 A HA 0.482 4.802 4.320 -0.000 0.000 0.250 1054 A C 1.220 178.925 177.584 0.201 0.000 1.208 1054 A CA 0.407 52.585 52.037 0.235 0.000 0.960 1054 A CB 0.147 19.233 19.000 0.142 0.000 1.099 1054 A HN 0.536 nan 8.150 nan 0.000 0.542 1055 A N -0.626 122.297 122.820 0.173 0.000 2.307 1055 A HA 0.469 4.788 4.320 -0.000 0.000 0.218 1055 A C 1.030 178.648 177.584 0.056 0.000 1.228 1055 A CA 0.764 52.891 52.037 0.150 0.000 0.857 1055 A CB -0.706 18.374 19.000 0.133 0.000 0.897 1055 A HN 0.891 nan 8.150 nan 0.000 0.495 1056 S N -0.723 114.969 115.700 -0.012 0.000 3.581 1056 S HA -0.163 4.307 4.470 -0.000 0.000 0.354 1056 S C 0.223 174.809 174.600 -0.024 0.000 1.059 1056 S CA 0.721 58.798 58.200 -0.206 0.000 1.060 1056 S CB -1.963 60.854 63.200 -0.638 0.000 0.908 1056 S HN 0.614 nan 8.310 nan 0.000 0.475 1057 I N 1.388 122.057 120.570 0.165 0.000 2.671 1057 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 1057 I C 1.599 177.868 176.117 0.254 0.000 1.148 1057 I CA 1.088 62.526 61.300 0.231 0.000 1.386 1057 I CB -0.353 37.603 38.000 -0.075 0.000 1.406 1057 I HN 0.582 nan 8.210 nan 0.000 0.540 1058 G N 4.787 113.731 108.800 0.241 0.000 2.196 1058 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.268 1058 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.268 1058 G C 0.443 175.373 174.900 0.050 0.000 0.975 1058 G CA 0.029 45.187 45.100 0.097 0.000 0.648 1058 G HN 0.601 nan 8.290 nan 0.000 0.538 1059 K N 0.219 120.640 120.400 0.035 0.000 2.180 1059 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 1059 K C 0.203 176.761 176.600 -0.069 0.000 1.014 1059 K CA 0.202 56.435 56.287 -0.091 0.000 0.913 1059 K CB 0.454 32.836 32.500 -0.197 0.000 1.008 1059 K HN 0.058 nan 8.250 nan 0.000 0.490 1060 T N 1.696 116.154 114.554 -0.160 0.000 2.733 1060 T HA 0.228 4.578 4.350 -0.000 0.000 0.294 1060 T C -0.404 174.234 174.700 -0.104 0.000 0.956 1060 T CA -0.589 61.435 62.100 -0.127 0.000 0.987 1060 T CB 0.574 69.255 68.868 -0.312 0.000 0.920 1060 T HN 0.144 nan 8.240 nan 0.000 0.470 1061 V N 3.370 123.227 119.914 -0.094 0.000 2.481 1061 V HA 0.910 5.030 4.120 -0.000 0.000 0.286 1061 V C 0.754 176.819 176.094 -0.048 0.000 1.042 1061 V CA -0.188 62.043 62.300 -0.114 0.000 0.928 1061 V CB 1.417 33.110 31.823 -0.217 0.000 0.986 1061 V HN 1.081 nan 8.190 nan 0.000 0.462 1062 G N 3.445 112.232 108.800 -0.022 0.000 2.441 1062 G HA2 0.306 4.266 3.960 -0.000 0.000 0.294 1062 G HA3 0.306 4.266 3.960 -0.000 0.000 0.294 1062 G C -0.157 174.737 174.900 -0.010 0.000 1.393 1062 G CA -0.818 44.273 45.100 -0.014 0.000 0.796 1062 G HN 0.415 nan 8.290 nan 0.000 0.494 1063 R N -1.466 119.020 120.500 -0.024 0.000 2.280 1063 R HA 0.168 4.508 4.340 -0.000 0.000 0.207 1063 R C 0.136 176.419 176.300 -0.029 0.000 1.043 1063 R CA 0.705 56.769 56.100 -0.059 0.000 1.006 1063 R CB 0.081 30.324 30.300 -0.095 0.000 0.885 1063 R HN 0.150 nan 8.270 nan 0.000 0.467 1064 V N 1.130 121.057 119.914 0.022 0.000 2.488 1064 V HA 0.330 4.449 4.120 -0.000 0.000 0.293 1064 V C -0.239 175.913 176.094 0.097 0.000 1.027 1064 V CA -1.043 61.293 62.300 0.059 0.000 0.862 1064 V CB 1.405 33.264 31.823 0.059 0.000 1.008 1064 V HN 0.162 nan 8.190 nan 0.000 0.428 1065 A N 4.555 127.446 122.820 0.118 0.000 2.483 1065 A HA 0.527 4.847 4.320 -0.000 0.000 0.238 1065 A C 0.834 178.512 177.584 0.157 0.000 1.070 1065 A CA 0.868 53.009 52.037 0.174 0.000 0.770 1065 A CB 0.003 19.058 19.000 0.090 0.000 1.008 1065 A HN 1.135 nan 8.150 nan 0.000 0.497 1066 N N -0.511 118.327 118.700 0.229 0.000 1.476 1066 N HA -0.176 4.564 4.740 -0.000 0.000 0.130 1066 N C -0.354 175.068 175.510 -0.147 0.000 0.863 1066 N CA 1.329 54.308 53.050 -0.118 0.000 0.896 1066 N CB -0.518 37.903 38.487 -0.110 0.000 1.018 1066 N HN 0.847 nan 8.380 nan 0.000 0.624 1067 R N 0.535 120.980 120.500 -0.091 0.000 2.486 1067 R HA 0.586 4.926 4.340 -0.000 0.000 0.286 1067 R C -0.314 176.006 176.300 0.034 0.000 0.999 1067 R CA -0.663 55.415 56.100 -0.037 0.000 0.993 1067 R CB 0.875 31.121 30.300 -0.090 0.000 1.084 1067 R HN 0.352 nan 8.270 nan 0.000 0.487 1068 I N 2.683 123.304 120.570 0.085 0.000 2.359 1068 I HA 0.140 4.310 4.170 -0.000 0.000 0.284 1068 I C 0.291 176.459 176.117 0.084 0.000 1.018 1068 I CA -0.789 60.567 61.300 0.095 0.000 1.173 1068 I CB 1.211 39.303 38.000 0.153 0.000 1.326 1068 I HN 0.544 nan 8.210 nan 0.000 0.462 1069 K N 7.191 127.597 120.400 0.010 0.000 2.466 1069 K HA -0.080 4.240 4.320 -0.000 0.000 0.278 1069 K C 0.444 177.149 176.600 0.174 0.000 1.048 1069 K CA 0.504 56.808 56.287 0.028 0.000 1.088 1069 K CB 0.134 32.618 32.500 -0.027 0.000 0.884 1069 K HN 0.530 nan 8.250 nan 0.000 0.478 1070 N N 2.523 121.496 118.700 0.455 0.000 2.714 1070 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 1070 N C -0.806 174.770 175.510 0.110 0.000 1.117 1070 N CA 1.389 54.574 53.050 0.226 0.000 0.719 1070 N CB -1.606 36.954 38.487 0.121 0.000 1.081 1070 N HN 0.730 nan 8.380 nan 0.000 0.557 1071 S N -2.495 113.292 115.700 0.145 0.000 3.473 1071 S HA -0.210 4.260 4.470 -0.000 0.000 0.339 1071 S C 0.182 174.751 174.600 -0.052 0.000 1.148 1071 S CA 1.653 59.882 58.200 0.048 0.000 0.969 1071 S CB -1.063 62.148 63.200 0.019 0.000 0.936 1071 S HN 0.604 nan 8.310 nan 0.000 0.530 1072 T N 0.864 115.398 114.554 -0.033 0.000 2.916 1072 T HA 0.749 5.099 4.350 -0.000 0.000 0.305 1072 T C -0.570 174.069 174.700 -0.103 0.000 1.119 1072 T CA -0.769 61.277 62.100 -0.090 0.000 1.008 1072 T CB 1.986 70.795 68.868 -0.098 0.000 1.129 1072 T HN 0.518 nan 8.240 nan 0.000 0.480 1073 L N -0.449 120.681 121.223 -0.154 0.000 2.720 1073 L HA 0.821 5.160 4.340 -0.000 0.000 0.261 1073 L C -1.688 175.052 176.870 -0.218 0.000 1.046 1073 L CA -1.076 53.695 54.840 -0.115 0.000 0.886 1073 L CB 1.232 43.286 42.059 -0.009 0.000 1.493 1073 L HN 0.638 nan 8.230 nan 0.000 0.407 1074 H N 0.551 119.684 119.070 0.105 0.000 2.505 1074 H HA 0.721 5.277 4.556 -0.000 0.000 0.338 1074 H C -1.742 173.720 175.328 0.224 0.000 1.057 1074 H CA -0.122 56.014 56.048 0.145 0.000 1.202 1074 H CB 1.819 31.609 29.762 0.047 0.000 1.466 1074 H HN 0.649 nan 8.280 nan 0.000 0.499 1075 F N 2.909 122.998 119.950 0.230 0.000 2.539 1075 F HA 0.263 4.790 4.527 -0.000 0.000 0.328 1075 F C -0.536 175.358 175.800 0.157 0.000 1.148 1075 F CA -1.044 57.038 58.000 0.136 0.000 0.940 1075 F CB 1.036 40.037 39.000 0.002 0.000 1.194 1075 F HN 0.614 nan 8.300 nan 0.000 0.438 1076 D N 4.502 124.560 120.400 -0.570 0.000 2.708 1076 D HA -0.159 4.481 4.640 -0.000 0.000 0.236 1076 D C 1.182 177.414 176.300 -0.112 0.000 1.146 1076 D CA 1.871 55.623 54.000 -0.413 0.000 0.662 1076 D CB -1.143 39.332 40.800 -0.541 0.000 1.059 1076 D HN 1.298 nan 8.370 nan 0.000 0.428 1077 G N -0.581 108.196 108.800 -0.038 0.000 2.168 1077 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.263 1077 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.263 1077 G C 0.311 175.245 174.900 0.057 0.000 0.977 1077 G CA 0.785 45.892 45.100 0.012 0.000 0.659 1077 G HN 0.644 nan 8.290 nan 0.000 0.533 1078 K N 0.123 120.590 120.400 0.113 0.000 2.324 1078 K HA 0.540 4.860 4.320 -0.000 0.000 0.253 1078 K C -0.061 176.569 176.600 0.049 0.000 0.932 1078 K CA -0.745 55.574 56.287 0.054 0.000 0.799 1078 K CB 1.178 33.702 32.500 0.039 0.000 1.154 1078 K HN 0.194 nan 8.250 nan 0.000 0.425 1079 Q N 2.935 122.667 119.800 -0.112 0.000 2.261 1079 Q HA 0.201 4.541 4.340 -0.000 0.000 0.252 1079 Q C -1.602 174.174 176.000 -0.373 0.000 0.915 1079 Q CA -0.402 55.276 55.803 -0.208 0.000 0.915 1079 Q CB 0.704 29.312 28.738 -0.216 0.000 1.204 1079 Q HN 0.521 nan 8.270 nan 0.000 0.421 1080 Y N 1.763 121.966 120.300 -0.161 0.000 2.341 1080 Y HA 0.382 4.932 4.550 -0.000 0.000 0.338 1080 Y C 0.244 176.036 175.900 -0.180 0.000 0.965 1080 Y CA -0.446 57.573 58.100 -0.136 0.000 1.108 1080 Y CB 2.161 40.554 38.460 -0.112 0.000 1.180 1080 Y HN 0.694 nan 8.280 nan 0.000 0.458 1084 P HA 0.185 nan 4.420 nan 0.000 0.265 1084 P C 0.414 177.796 177.300 0.136 0.000 1.187 1084 P CA -0.050 63.137 63.100 0.144 0.000 0.766 1084 P CB 0.482 32.210 31.700 0.047 0.000 0.820 1085 N N 1.053 119.832 118.700 0.132 0.000 2.118 1085 N HA 0.003 4.743 4.740 -0.000 0.000 0.226 1085 N C -0.565 174.947 175.510 0.004 0.000 1.305 1085 N CA 0.152 53.228 53.050 0.043 0.000 0.890 1085 N CB 0.173 38.655 38.487 -0.008 0.000 1.118 1085 N HN 0.311 nan 8.380 nan 0.000 0.511 1086 N N 0.672 119.382 118.700 0.016 0.000 2.701 1086 N HA 0.316 5.055 4.740 -0.000 0.000 0.258 1086 N C 0.288 175.797 175.510 -0.003 0.000 1.262 1086 N CA 0.705 53.754 53.050 -0.001 0.000 0.780 1086 N CB 1.071 39.550 38.487 -0.013 0.000 1.380 1086 N HN 0.322 nan 8.380 nan 0.000 0.548 1087 G N 4.527 113.306 108.800 -0.035 0.000 2.552 1087 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.265 1087 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.265 1087 G C -1.822 172.992 174.900 -0.144 0.000 1.234 1087 G CA 0.186 45.233 45.100 -0.088 0.000 0.944 1087 G HN 0.462 nan 8.290 nan 0.000 0.568 1088 P HA 0.130 nan 4.420 nan 0.000 0.245 1088 P C 0.253 177.416 177.300 -0.228 0.000 1.206 1088 P CA 0.818 63.750 63.100 -0.281 0.000 0.781 1088 P CB 0.045 31.546 31.700 -0.331 0.000 0.994 1089 H N -0.565 118.541 119.070 0.061 0.000 2.500 1089 H HA 0.251 4.807 4.556 -0.000 0.000 0.351 1089 H C -0.665 174.747 175.328 0.139 0.000 1.281 1089 H CA -0.344 55.755 56.048 0.085 0.000 1.368 1089 H CB 0.202 30.003 29.762 0.066 0.000 1.616 1089 H HN -0.072 nan 8.280 nan 0.000 0.591 1090 Y N 1.392 121.769 120.300 0.127 0.000 2.402 1090 Y HA 0.251 4.801 4.550 -0.000 0.000 0.332 1090 Y C -0.935 174.977 175.900 0.020 0.000 0.960 1090 Y CA -0.907 57.224 58.100 0.052 0.000 1.228 1090 Y CB 0.200 38.682 38.460 0.036 0.000 1.120 1090 Y HN 0.367 nan 8.280 nan 0.000 0.491 1091 L N 6.221 127.327 121.223 -0.195 0.000 2.289 1091 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 1091 L C -0.170 176.522 176.870 -0.297 0.000 1.049 1091 L CA -0.158 54.504 54.840 -0.296 0.000 0.804 1091 L CB 0.252 42.125 42.059 -0.310 0.000 1.195 1091 L HN 0.728 nan 8.230 nan 0.000 0.428 1092 H N 4.190 123.192 119.070 -0.114 0.000 2.626 1092 H HA -0.179 4.377 4.556 -0.000 0.000 0.317 1092 H C 1.269 176.516 175.328 -0.136 0.000 1.140 1092 H CA 0.896 56.885 56.048 -0.098 0.000 1.134 1092 H CB -1.557 28.160 29.762 -0.074 0.000 1.486 1092 H HN 1.081 nan 8.280 nan 0.000 0.417 1093 G N -1.732 107.010 108.800 -0.096 0.000 2.184 1093 G HA2 0.027 3.986 3.960 -0.000 0.000 0.264 1093 G HA3 0.027 3.986 3.960 -0.000 0.000 0.264 1093 G C 1.047 175.766 174.900 -0.302 0.000 0.975 1093 G CA 1.147 46.185 45.100 -0.104 0.000 0.642 1093 G HN 1.829 nan 8.290 nan 0.000 0.536 1094 G N -0.905 107.479 108.800 -0.693 0.000 2.757 1094 G HA2 0.184 4.144 3.960 -0.000 0.000 0.638 1094 G HA3 0.184 4.144 3.960 -0.000 0.000 0.638 1094 G C -0.701 174.145 174.900 -0.090 0.000 1.344 1094 G CA 0.222 44.953 45.100 -0.615 0.000 0.855 1094 G HN 0.819 nan 8.290 nan 0.000 0.537 1095 P HA -0.078 nan 4.420 nan 0.000 0.219 1095 P C 0.876 178.151 177.300 -0.041 0.000 1.146 1095 P CA 1.689 64.707 63.100 -0.137 0.000 0.808 1095 P CB 0.102 31.735 31.700 -0.111 0.000 0.779 1096 N N -0.224 118.519 118.700 0.071 0.000 2.389 1096 N HA 0.209 4.949 4.740 -0.000 0.000 0.260 1096 N C 0.553 176.134 175.510 0.119 0.000 1.191 1096 N CA -0.280 52.833 53.050 0.106 0.000 0.885 1096 N CB -0.139 38.387 38.487 0.064 0.000 1.162 1096 N HN -0.065 nan 8.380 nan 0.000 0.512 1097 G N -0.336 108.568 108.800 0.174 0.000 2.651 1097 G HA2 0.159 4.118 3.960 -0.000 0.000 0.260 1097 G HA3 0.159 4.118 3.960 -0.000 0.000 0.260 1097 G C 1.148 176.070 174.900 0.036 0.000 1.216 1097 G CA -0.518 44.632 45.100 0.083 0.000 0.913 1097 G HN 0.294 nan 8.290 nan 0.000 0.535 1098 L N 0.569 121.784 121.223 -0.013 0.000 2.127 1098 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 1098 L C 2.992 179.905 176.870 0.072 0.000 1.089 1098 L CA 1.330 56.179 54.840 0.014 0.000 0.757 1098 L CB -0.600 41.524 42.059 0.108 0.000 0.899 1098 L HN 0.681 nan 8.230 nan 0.000 0.434 1099 G N -1.249 107.472 108.800 -0.132 0.000 2.509 1099 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.218 1099 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.218 1099 G C 0.895 175.394 174.900 -0.669 0.000 1.124 1099 G CA 0.282 45.144 45.100 -0.397 0.000 0.776 1099 G HN 0.364 nan 8.290 nan 0.000 0.547 1100 Y N 0.249 120.432 120.300 -0.196 0.000 2.607 1100 Y HA 0.432 4.982 4.550 -0.000 0.000 0.266 1100 Y C 1.179 177.000 175.900 -0.132 0.000 1.178 1100 Y CA -0.608 57.380 58.100 -0.186 0.000 1.226 1100 Y CB 0.303 38.786 38.460 0.038 0.000 1.144 1100 Y HN -0.022 nan 8.280 nan 0.000 0.528 1101 R N 0.163 120.588 120.500 -0.125 0.000 2.854 1101 R HA 0.452 4.792 4.340 -0.000 0.000 0.271 1101 R C -0.502 175.854 176.300 0.093 0.000 0.996 1101 R CA -1.129 54.987 56.100 0.028 0.000 0.961 1101 R CB 1.687 31.947 30.300 -0.066 0.000 1.182 1101 R HN -0.003 nan 8.270 nan 0.000 0.479 1102 K N 1.817 122.352 120.400 0.226 0.000 2.284 1102 K HA 0.133 4.452 4.320 -0.000 0.000 0.287 1102 K C -0.849 175.886 176.600 0.226 0.000 1.081 1102 K CA -0.119 56.345 56.287 0.295 0.000 0.910 1102 K CB 0.503 33.156 32.500 0.254 0.000 1.088 1102 K HN 0.240 nan 8.250 nan 0.000 0.478 1103 W N 1.985 123.269 121.300 -0.026 0.000 2.237 1103 W HA 0.145 4.804 4.660 -0.000 0.000 0.335 1103 W C 0.768 177.367 176.519 0.133 0.000 1.230 1103 W CA -0.521 56.841 57.345 0.028 0.000 1.253 1103 W CB 0.459 29.906 29.460 -0.022 0.000 1.129 1103 W HN 0.351 nan 8.180 nan 0.000 0.590 1104 E N 0.812 121.247 120.200 0.392 0.000 2.313 1104 E HA 0.233 4.582 4.350 -0.000 0.000 0.272 1104 E C -0.804 176.034 176.600 0.396 0.000 1.038 1104 E CA -0.646 55.937 56.400 0.305 0.000 0.863 1104 E CB 1.691 31.506 29.700 0.193 0.000 1.060 1104 E HN 0.071 nan 8.360 nan 0.000 0.402 1105 V N 3.557 123.647 119.914 0.293 0.000 2.368 1105 V HA 0.011 4.131 4.120 -0.000 0.000 0.266 1105 V C 1.252 177.441 176.094 0.159 0.000 1.045 1105 V CA -0.146 62.278 62.300 0.207 0.000 0.899 1105 V CB 0.837 32.738 31.823 0.130 0.000 1.006 1105 V HN 0.571 nan 8.190 nan 0.000 0.470 1106 V N 2.482 122.470 119.914 0.124 0.000 3.590 1106 V HA 0.426 4.545 4.120 -0.000 0.000 0.265 1106 V C 0.709 176.847 176.094 0.075 0.000 1.239 1106 V CA 0.300 62.665 62.300 0.108 0.000 1.117 1106 V CB -0.353 31.536 31.823 0.111 0.000 0.818 1106 V HN 0.756 nan 8.190 nan 0.000 0.451 1107 R N 0.865 121.398 120.500 0.055 0.000 2.579 1107 R HA 0.506 4.846 4.340 -0.000 0.000 0.260 1107 R C -1.797 174.522 176.300 0.032 0.000 1.103 1107 R CA -0.407 55.694 56.100 0.002 0.000 0.942 1107 R CB 1.516 31.800 30.300 -0.027 0.000 1.251 1107 R HN 0.775 nan 8.270 nan 0.000 0.450 1108 H N 1.028 120.066 119.070 -0.052 0.000 2.966 1108 H HA 0.829 5.385 4.556 -0.000 0.000 0.347 1108 H C -1.660 173.654 175.328 -0.023 0.000 1.048 1108 H CA -0.661 55.355 56.048 -0.054 0.000 1.295 1108 H CB 2.008 31.743 29.762 -0.045 0.000 1.744 1108 H HN 0.768 nan 8.280 nan 0.000 0.513 1109 A N 3.343 126.177 122.820 0.023 0.000 2.564 1109 A HA 0.604 4.923 4.320 -0.000 0.000 0.288 1109 A C -2.083 175.524 177.584 0.039 0.000 1.164 1109 A CA -2.125 49.911 52.037 -0.001 0.000 0.712 1109 A CB 0.731 19.717 19.000 -0.023 0.000 1.303 1109 A HN 0.577 nan 8.150 nan 0.000 0.418 1110 P HA -0.155 nan 4.420 nan 0.000 0.216 1110 P C 0.702 178.025 177.300 0.039 0.000 1.150 1110 P CA 1.897 65.019 63.100 0.037 0.000 0.843 1110 P CB 0.347 32.064 31.700 0.028 0.000 0.787 1111 E N -1.584 118.638 120.200 0.037 0.000 2.660 1111 E HA 0.208 4.558 4.350 -0.000 0.000 0.216 1111 E C -0.069 176.563 176.600 0.054 0.000 0.986 1111 E CA -0.117 56.310 56.400 0.046 0.000 1.037 1111 E CB 0.108 29.836 29.700 0.046 0.000 1.041 1111 E HN -0.028 nan 8.360 nan 0.000 0.480 1112 S N -0.383 115.344 115.700 0.046 0.000 2.570 1112 S HA 0.664 5.134 4.470 -0.000 0.000 0.270 1112 S C -2.020 172.595 174.600 0.024 0.000 1.149 1112 S CA -0.386 57.843 58.200 0.049 0.000 0.837 1112 S CB 1.921 65.142 63.200 0.036 0.000 1.124 1112 S HN 0.190 nan 8.310 nan 0.000 0.465 1113 V N 2.394 122.309 119.914 0.003 0.000 2.891 1113 V HA 0.790 4.910 4.120 -0.000 0.000 0.304 1113 V C -1.270 174.688 176.094 -0.227 0.000 1.171 1113 V CA -0.155 62.068 62.300 -0.128 0.000 0.943 1113 V CB 2.148 33.847 31.823 -0.206 0.000 1.037 1113 V HN 0.937 nan 8.190 nan 0.000 0.427 1114 S N 5.964 121.484 115.700 -0.301 0.000 2.513 1114 S HA 0.835 5.305 4.470 -0.000 0.000 0.299 1114 S C -1.135 173.275 174.600 -0.317 0.000 1.087 1114 S CA -0.310 57.767 58.200 -0.206 0.000 1.012 1114 S CB 1.512 64.700 63.200 -0.021 0.000 1.044 1114 S HN 0.573 nan 8.310 nan 0.000 0.485 1115 F N 0.946 121.018 119.950 0.204 0.000 2.561 1115 F HA 0.729 5.256 4.527 -0.000 0.000 0.321 1115 F C 0.598 176.678 175.800 0.466 0.000 1.065 1115 F CA -0.646 57.529 58.000 0.293 0.000 0.934 1115 F CB 2.079 41.190 39.000 0.185 0.000 1.215 1115 F HN 0.494 nan 8.300 nan 0.000 0.471 1116 S N 1.250 117.358 115.700 0.680 0.000 2.569 1116 S HA 0.881 5.351 4.470 -0.000 0.000 0.280 1116 S C -1.772 172.928 174.600 0.167 0.000 1.111 1116 S CA -0.557 57.901 58.200 0.430 0.000 0.887 1116 S CB 1.836 65.179 63.200 0.239 0.000 1.095 1116 S HN 0.651 nan 8.310 nan 0.000 0.476 1117 V N 3.481 123.273 119.914 -0.203 0.000 3.167 1117 V HA 0.631 4.751 4.120 -0.000 0.000 0.293 1117 V C -1.805 174.064 176.094 -0.376 0.000 1.379 1117 V CA -0.660 61.353 62.300 -0.478 0.000 1.019 1117 V CB 2.342 33.415 31.823 -1.251 0.000 1.115 1117 V HN 1.014 nan 8.190 nan 0.000 0.442 1118 R N 2.624 122.954 120.500 -0.282 0.000 2.711 1118 R HA 0.932 5.272 4.340 -0.000 0.000 0.284 1118 R C -0.896 175.279 176.300 -0.209 0.000 0.968 1118 R CA -0.217 55.761 56.100 -0.203 0.000 0.924 1118 R CB 2.109 32.336 30.300 -0.121 0.000 1.162 1118 R HN 1.016 nan 8.270 nan 0.000 0.465 1119 A N 2.134 124.849 122.820 -0.176 0.000 2.517 1119 A HA 0.524 4.844 4.320 -0.000 0.000 0.297 1119 A C -1.511 176.003 177.584 -0.116 0.000 1.050 1119 A CA -0.917 51.032 52.037 -0.148 0.000 0.694 1119 A CB 1.361 20.258 19.000 -0.172 0.000 1.277 1119 A HN 0.859 nan 8.150 nan 0.000 0.400 1120 N N 0.032 118.680 118.700 -0.087 0.000 2.831 1120 N HA 0.326 5.066 4.740 -0.000 0.000 0.276 1120 N C 0.457 175.933 175.510 -0.058 0.000 1.416 1120 N CA -0.267 52.739 53.050 -0.074 0.000 0.799 1120 N CB 0.718 39.173 38.487 -0.054 0.000 1.554 1120 N HN 0.597 nan 8.380 nan 0.000 0.541 1121 E N -0.544 119.627 120.200 -0.049 0.000 2.130 1121 E HA -0.312 4.038 4.350 -0.000 0.000 0.196 1121 E C 0.953 177.550 176.600 -0.005 0.000 0.998 1121 E CA 1.672 58.058 56.400 -0.023 0.000 0.806 1121 E CB 0.027 29.738 29.700 0.018 0.000 0.738 1121 E HN 0.592 nan 8.360 nan 0.000 0.459 1122 Q N 0.349 120.144 119.800 -0.007 0.000 2.170 1122 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 1122 Q C 1.646 177.645 176.000 -0.001 0.000 0.976 1122 Q CA 1.602 57.403 55.803 -0.002 0.000 0.858 1122 Q CB 0.152 28.887 28.738 -0.006 0.000 0.907 1122 Q HN 0.349 nan 8.270 nan 0.000 0.433 1123 D N 0.177 120.571 120.400 -0.010 0.000 2.137 1123 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 1123 D C 0.543 176.856 176.300 0.022 0.000 0.970 1123 D CA 1.603 55.600 54.000 -0.005 0.000 0.837 1123 D CB 0.081 40.862 40.800 -0.031 0.000 0.981 1123 D HN 0.490 nan 8.370 nan 0.000 0.475 1124 D N -2.594 117.823 120.400 0.029 0.000 2.539 1124 D HA 0.215 4.855 4.640 -0.000 0.000 0.232 1124 D C 1.384 177.742 176.300 0.097 0.000 1.256 1124 D CA 0.433 54.489 54.000 0.093 0.000 0.810 1124 D CB 0.309 41.169 40.800 0.099 0.000 1.090 1124 D HN 0.129 nan 8.370 nan 0.000 0.519 1125 G N 0.445 109.260 108.800 0.025 0.000 2.184 1125 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 1125 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 1125 G C 0.070 174.947 174.900 -0.039 0.000 0.975 1125 G CA 0.557 45.650 45.100 -0.012 0.000 0.642 1125 G HN 0.412 nan 8.290 nan 0.000 0.536 1126 L N 2.400 123.582 121.223 -0.068 0.000 2.439 1126 L HA 0.428 4.767 4.340 -0.000 0.000 0.261 1126 L C -1.198 175.473 176.870 -0.331 0.000 1.153 1126 L CA -2.188 52.536 54.840 -0.193 0.000 0.808 1126 L CB 0.796 42.772 42.059 -0.138 0.000 1.126 1126 L HN -0.036 nan 8.230 nan 0.000 0.460 1127 P HA 0.052 nan 4.420 nan 0.000 0.269 1127 P C 0.321 177.351 177.300 -0.450 0.000 1.215 1127 P CA 0.474 63.103 63.100 -0.786 0.000 0.780 1127 P CB 0.640 31.495 31.700 -1.409 0.000 0.898 1128 G N 2.968 111.625 108.800 -0.239 0.000 2.578 1128 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.275 1128 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.275 1128 G C -0.644 174.177 174.900 -0.132 0.000 1.271 1128 G CA 0.766 45.780 45.100 -0.144 0.000 0.941 1128 G HN 0.889 nan 8.290 nan 0.000 0.564 1129 D N -1.765 118.565 120.400 -0.116 0.000 2.744 1129 D HA 0.933 5.572 4.640 -0.000 0.000 0.304 1129 D C -0.143 176.084 176.300 -0.123 0.000 1.179 1129 D CA 0.299 54.233 54.000 -0.110 0.000 1.024 1129 D CB 1.200 41.953 40.800 -0.078 0.000 1.453 1129 D HN 2.089 nan 8.370 nan 0.000 0.529 1130 A N -0.736 122.009 122.820 -0.125 0.000 2.586 1130 A HA 0.555 4.874 4.320 -0.000 0.000 0.296 1130 A C -1.691 175.810 177.584 -0.137 0.000 1.040 1130 A CA -1.006 50.949 52.037 -0.136 0.000 0.701 1130 A CB 1.351 20.250 19.000 -0.169 0.000 1.277 1130 A HN 0.627 nan 8.150 nan 0.000 0.413 1131 K N 2.065 122.395 120.400 -0.117 0.000 2.367 1131 K HA 0.656 4.976 4.320 -0.000 0.000 0.263 1131 K C -1.505 175.046 176.600 -0.082 0.000 1.000 1131 K CA -0.457 55.776 56.287 -0.091 0.000 0.891 1131 K CB 0.419 32.895 32.500 -0.039 0.000 1.117 1131 K HN 0.538 nan 8.250 nan 0.000 0.443 1132 I N 3.168 123.676 120.570 -0.103 0.000 2.412 1132 I HA 0.261 4.431 4.170 -0.000 0.000 0.296 1132 I C -0.850 175.388 176.117 0.201 0.000 0.987 1132 I CA -0.459 60.834 61.300 -0.012 0.000 1.180 1132 I CB 1.873 39.820 38.000 -0.088 0.000 1.340 1132 I HN 0.535 nan 8.210 nan 0.000 0.455 1133 D N 4.637 125.232 120.400 0.326 0.000 2.629 1133 D HA 0.603 5.243 4.640 -0.000 0.000 0.250 1133 D C -1.126 175.423 176.300 0.416 0.000 1.126 1133 D CA -0.134 54.115 54.000 0.415 0.000 0.852 1133 D CB 2.282 43.293 40.800 0.352 0.000 1.335 1133 D HN 0.088 nan 8.370 nan 0.000 0.518 1134 V N 2.210 122.365 119.914 0.402 0.000 2.540 1134 V HA 0.610 4.730 4.120 -0.000 0.000 0.302 1134 V C -0.232 175.959 176.094 0.162 0.000 1.035 1134 V CA -0.429 62.022 62.300 0.250 0.000 0.873 1134 V CB 2.167 34.030 31.823 0.066 0.000 0.992 1134 V HN 0.585 nan 8.190 nan 0.000 0.428 1135 T N 4.263 118.848 114.554 0.052 0.000 2.841 1135 T HA 0.655 5.005 4.350 -0.000 0.000 0.283 1135 T C -1.314 173.346 174.700 -0.068 0.000 1.000 1135 T CA -0.350 61.764 62.100 0.024 0.000 0.977 1135 T CB 1.169 70.061 68.868 0.041 0.000 0.979 1135 T HN 0.414 nan 8.240 nan 0.000 0.446 1136 Y N 1.165 121.505 120.300 0.066 0.000 2.341 1136 Y HA 0.575 5.125 4.550 -0.000 0.000 0.338 1136 Y C 0.616 176.547 175.900 0.052 0.000 0.965 1136 Y CA -0.633 57.516 58.100 0.081 0.000 1.108 1136 Y CB 2.102 40.620 38.460 0.096 0.000 1.180 1136 Y HN 0.546 nan 8.280 nan 0.000 0.458 1137 T N 3.423 118.101 114.554 0.208 0.000 2.916 1137 T HA 0.574 4.924 4.350 -0.000 0.000 0.298 1137 T C -1.003 173.782 174.700 0.142 0.000 1.031 1137 T CA -0.807 61.375 62.100 0.137 0.000 0.993 1137 T CB 1.320 70.241 68.868 0.088 0.000 1.045 1137 T HN 0.431 nan 8.240 nan 0.000 0.454 1138 V N 1.358 121.342 119.914 0.117 0.000 2.628 1138 V HA 0.929 5.049 4.120 -0.000 0.000 0.306 1138 V C -0.606 175.544 176.094 0.094 0.000 1.045 1138 V CA -1.051 61.320 62.300 0.120 0.000 0.905 1138 V CB 1.563 33.451 31.823 0.107 0.000 0.997 1138 V HN 0.990 nan 8.190 nan 0.000 0.436 1139 N N 0.885 119.643 118.700 0.097 0.000 3.038 1139 N HA 0.417 5.157 4.740 -0.000 0.000 0.307 1139 N C 0.140 175.700 175.510 0.082 0.000 1.441 1139 N CA -0.262 52.834 53.050 0.076 0.000 0.772 1139 N CB 0.709 39.232 38.487 0.060 0.000 1.651 1139 N HN 0.670 nan 8.380 nan 0.000 0.593 1140 D N -1.363 119.076 120.400 0.066 0.000 2.378 1140 D HA -0.075 4.565 4.640 -0.000 0.000 0.222 1140 D C 0.571 176.917 176.300 0.076 0.000 0.980 1140 D CA 0.810 54.851 54.000 0.068 0.000 0.907 1140 D CB -0.089 40.740 40.800 0.048 0.000 0.899 1140 D HN 0.489 nan 8.370 nan 0.000 0.527 1141 R N -0.084 120.459 120.500 0.071 0.000 2.356 1141 R HA 0.173 4.513 4.340 -0.000 0.000 0.234 1141 R C -0.126 176.230 176.300 0.094 0.000 0.929 1141 R CA -0.228 55.911 56.100 0.065 0.000 1.084 1141 R CB -0.270 30.050 30.300 0.035 0.000 1.105 1141 R HN -0.031 nan 8.270 nan 0.000 0.515 1142 N N 1.985 120.767 118.700 0.137 0.000 2.740 1142 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 1142 N C -1.039 174.583 175.510 0.186 0.000 1.062 1142 N CA 1.155 54.320 53.050 0.192 0.000 0.704 1142 N CB -0.929 37.709 38.487 0.250 0.000 0.968 1142 N HN 0.494 nan 8.380 nan 0.000 0.547 1143 Q N -0.054 119.839 119.800 0.156 0.000 2.345 1143 Q HA 0.643 4.983 4.340 -0.000 0.000 0.268 1143 Q C -0.377 175.756 176.000 0.221 0.000 1.054 1143 Q CA -0.907 54.983 55.803 0.145 0.000 0.835 1143 Q CB 2.329 31.101 28.738 0.058 0.000 1.339 1143 Q HN 0.227 nan 8.270 nan 0.000 0.447 1144 L N 2.799 124.201 121.223 0.297 0.000 2.298 1144 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 1144 L C -1.521 175.529 176.870 0.299 0.000 1.013 1144 L CA -0.137 54.898 54.840 0.325 0.000 0.824 1144 L CB 0.941 43.252 42.059 0.421 0.000 1.221 1144 L HN 0.570 nan 8.230 nan 0.000 0.418 1145 I N 6.360 127.058 120.570 0.213 0.000 2.354 1145 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 1145 I C -0.508 175.677 176.117 0.112 0.000 0.989 1145 I CA -0.410 60.979 61.300 0.148 0.000 1.188 1145 I CB 1.532 39.578 38.000 0.077 0.000 1.342 1145 I HN 0.516 nan 8.210 nan 0.000 0.457 1146 I N 6.314 126.923 120.570 0.065 0.000 2.362 1146 I HA 0.331 4.500 4.170 -0.000 0.000 0.289 1146 I C -0.314 175.704 176.117 -0.164 0.000 0.994 1146 I CA -0.486 60.743 61.300 -0.118 0.000 1.158 1146 I CB 1.426 39.349 38.000 -0.129 0.000 1.315 1146 I HN 0.561 nan 8.210 nan 0.000 0.451 1147 E N 4.908 125.039 120.200 -0.115 0.000 2.183 1147 E HA 0.446 4.795 4.350 -0.000 0.000 0.271 1147 E C -1.141 175.553 176.600 0.157 0.000 0.919 1147 E CA -0.694 55.699 56.400 -0.011 0.000 0.781 1147 E CB 1.875 31.603 29.700 0.046 0.000 1.140 1147 E HN 0.542 nan 8.360 nan 0.000 0.402 1148 H N 1.421 120.611 119.070 0.200 0.000 2.646 1148 H HA 0.293 4.849 4.556 -0.000 0.000 0.328 1148 H C -1.036 174.554 175.328 0.437 0.000 0.998 1148 H CA -0.753 55.487 56.048 0.321 0.000 1.225 1148 H CB 1.144 31.188 29.762 0.469 0.000 1.457 1148 H HN 0.474 nan 8.280 nan 0.000 0.505 1149 H N 2.306 121.615 119.070 0.399 0.000 2.821 1149 H HA 0.777 5.333 4.556 -0.000 0.000 0.373 1149 H C -1.661 173.824 175.328 0.261 0.000 1.165 1149 H CA -0.418 55.840 56.048 0.350 0.000 1.154 1149 H CB 1.649 31.558 29.762 0.245 0.000 1.765 1149 H HN 0.794 nan 8.280 nan 0.000 0.549 1150 A N 2.030 124.513 122.820 -0.561 0.000 2.597 1150 A HA 0.602 4.922 4.320 -0.000 0.000 0.292 1150 A C -1.049 176.295 177.584 -0.401 0.000 1.057 1150 A CA -0.191 51.622 52.037 -0.375 0.000 0.674 1150 A CB 0.791 19.648 19.000 -0.238 0.000 1.278 1150 A HN 1.056 nan 8.150 nan 0.000 0.416 1151 T N -2.184 112.217 114.554 -0.256 0.000 2.841 1151 T HA 0.835 5.184 4.350 -0.000 0.000 0.296 1151 T C -0.149 174.465 174.700 -0.144 0.000 1.166 1151 T CA -0.188 61.775 62.100 -0.229 0.000 1.007 1151 T CB 0.846 69.579 68.868 -0.226 0.000 1.253 1151 T HN 2.511 nan 8.240 nan 0.000 0.511 1152 C N -0.399 118.829 119.300 -0.118 0.000 3.241 1152 C HA 0.787 5.247 4.460 -0.000 0.000 0.312 1152 C C -0.063 174.893 174.990 -0.057 0.000 1.350 1152 C CA -0.641 58.326 59.018 -0.084 0.000 1.415 1152 C CB 1.155 28.847 27.740 -0.080 0.000 1.770 1152 C HN 0.915 nan 8.230 nan 0.000 0.466 1153 D N 0.132 120.507 120.400 -0.042 0.000 2.423 1153 D HA 0.172 4.811 4.640 -0.000 0.000 0.212 1153 D C 0.161 176.455 176.300 -0.010 0.000 1.060 1153 D CA 1.022 55.009 54.000 -0.023 0.000 0.872 1153 D CB 0.910 41.699 40.800 -0.019 0.000 1.012 1153 D HN 0.764 nan 8.370 nan 0.000 0.503 1154 T N 1.964 116.509 114.554 -0.016 0.000 2.861 1154 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 1154 T C -2.758 171.945 174.700 0.005 0.000 1.003 1154 T CA -1.493 60.610 62.100 0.005 0.000 0.977 1154 T CB 2.661 71.529 68.868 0.000 0.000 0.996 1154 T HN -0.246 nan 8.240 nan 0.000 0.448 1155 P HA 0.425 nan 4.420 nan 0.000 0.265 1155 P C 0.138 177.444 177.300 0.010 0.000 1.193 1155 P CA 0.366 63.553 63.100 0.145 0.000 0.765 1155 P CB 0.573 32.446 31.700 0.288 0.000 0.823 1156 G N 1.631 110.314 108.800 -0.195 0.000 2.578 1156 G HA2 0.571 4.531 3.960 -0.000 0.000 0.302 1156 G HA3 0.571 4.531 3.960 -0.000 0.000 0.302 1156 G C -1.969 172.547 174.900 -0.640 0.000 1.243 1156 G CA -0.707 43.938 45.100 -0.759 0.000 0.843 1156 G HN 0.392 nan 8.290 nan 0.000 0.486 1157 L N -0.140 120.745 121.223 -0.564 0.000 2.346 1157 L HA 0.842 5.182 4.340 -0.000 0.000 0.274 1157 L C -1.167 175.587 176.870 -0.194 0.000 1.007 1157 L CA -0.899 53.758 54.840 -0.305 0.000 0.818 1157 L CB 2.135 44.020 42.059 -0.289 0.000 1.284 1157 L HN 0.421 nan 8.230 nan 0.000 0.424 1158 L N 3.011 124.171 121.223 -0.105 0.000 2.580 1158 L HA 0.764 5.104 4.340 -0.000 0.000 0.266 1158 L C -1.224 175.676 176.870 0.049 0.000 0.955 1158 L CA -0.012 54.760 54.840 -0.114 0.000 0.886 1158 L CB 1.801 43.711 42.059 -0.249 0.000 1.263 1158 L HN 0.649 nan 8.230 nan 0.000 0.406 1159 A N 6.187 129.066 122.820 0.099 0.000 2.599 1159 A HA 0.726 5.046 4.320 -0.000 0.000 0.281 1159 A C -1.294 176.447 177.584 0.262 0.000 1.137 1159 A CA -0.409 51.853 52.037 0.374 0.000 0.767 1159 A CB 0.439 19.623 19.000 0.307 0.000 1.266 1159 A HN 0.603 nan 8.150 nan 0.000 0.420 1160 L N 0.686 122.099 121.223 0.317 0.000 2.440 1160 L HA 0.933 5.273 4.340 -0.000 0.000 0.262 1160 L C 0.685 177.583 176.870 0.047 0.000 1.072 1160 L CA -0.700 54.196 54.840 0.094 0.000 0.798 1160 L CB 1.764 43.744 42.059 -0.133 0.000 1.307 1160 L HN 0.639 nan 8.230 nan 0.000 0.475 1161 T N -0.771 113.778 114.554 -0.007 0.000 2.700 1161 T HA 0.179 4.529 4.350 -0.000 0.000 0.307 1161 T C -1.962 172.806 174.700 0.112 0.000 1.580 1161 T CA -0.716 61.388 62.100 0.006 0.000 0.992 1161 T CB 1.606 70.397 68.868 -0.129 0.000 1.577 1161 T HN 0.695 nan 8.240 nan 0.000 0.496 1162 N N 1.072 119.853 118.700 0.135 0.000 2.372 1162 N HA 0.233 4.973 4.740 -0.000 0.000 0.285 1162 N C -0.917 174.648 175.510 0.092 0.000 1.008 1162 N CA -0.241 52.910 53.050 0.169 0.000 0.880 1162 N CB 1.205 39.857 38.487 0.275 0.000 1.239 1162 N HN 0.664 nan 8.380 nan 0.000 0.484 1163 H N 2.441 121.507 119.070 -0.007 0.000 2.591 1163 H HA 0.304 4.860 4.556 -0.000 0.000 0.302 1163 H C -0.394 174.919 175.328 -0.026 0.000 1.163 1163 H CA -0.193 55.822 56.048 -0.055 0.000 1.049 1163 H CB -0.124 29.565 29.762 -0.122 0.000 1.543 1163 H HN 0.575 nan 8.280 nan 0.000 0.523 1164 A N 1.120 123.975 122.820 0.057 0.000 2.440 1164 A HA 0.245 4.565 4.320 -0.000 0.000 0.251 1164 A C -0.913 176.516 177.584 -0.259 0.000 1.089 1164 A CA -0.143 51.811 52.037 -0.139 0.000 0.779 1164 A CB -0.042 18.693 19.000 -0.441 0.000 1.022 1164 A HN 0.374 nan 8.150 nan 0.000 0.492 1165 Y N 0.860 120.944 120.300 -0.361 0.000 2.341 1165 Y HA 0.382 4.931 4.550 -0.000 0.000 0.340 1165 Y C -0.407 175.249 175.900 -0.406 0.000 0.997 1165 Y CA 0.148 58.098 58.100 -0.251 0.000 1.149 1165 Y CB 0.895 39.238 38.460 -0.195 0.000 1.171 1165 Y HN 0.706 nan 8.280 nan 0.000 0.494 1166 W N 3.600 124.940 121.300 0.066 0.000 2.496 1166 W HA 0.475 5.135 4.660 -0.000 0.000 0.327 1166 W C -0.051 176.546 176.519 0.129 0.000 1.086 1166 W CA -0.603 56.813 57.345 0.119 0.000 1.222 1166 W CB 1.042 30.619 29.460 0.196 0.000 1.304 1166 W HN 0.365 nan 8.180 nan 0.000 0.547 1167 N N 3.242 122.151 118.700 0.349 0.000 2.572 1167 N HA 0.149 4.888 4.740 -0.000 0.000 0.287 1167 N C -0.409 175.275 175.510 0.291 0.000 1.136 1167 N CA -0.260 52.903 53.050 0.188 0.000 0.900 1167 N CB 1.184 39.700 38.487 0.048 0.000 1.484 1167 N HN 0.566 nan 8.380 nan 0.000 0.526 1168 L N 1.535 123.002 121.223 0.407 0.000 2.554 1168 L HA 0.152 4.492 4.340 -0.000 0.000 0.226 1168 L C 0.571 177.569 176.870 0.213 0.000 1.137 1168 L CA 0.697 55.725 54.840 0.315 0.000 0.863 1168 L CB -0.079 42.113 42.059 0.222 0.000 0.985 1168 L HN 0.502 nan 8.230 nan 0.000 0.451 1169 D N -2.558 117.972 120.400 0.218 0.000 2.525 1169 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 1169 D C 1.272 177.639 176.300 0.111 0.000 1.216 1169 D CA 0.462 54.534 54.000 0.121 0.000 0.813 1169 D CB 0.522 41.352 40.800 0.049 0.000 1.108 1169 D HN 0.055 nan 8.370 nan 0.000 0.524 1170 G N 0.087 108.963 108.800 0.126 0.000 2.176 1170 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.253 1170 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.253 1170 G C 0.495 175.449 174.900 0.089 0.000 0.979 1170 G CA 0.227 45.383 45.100 0.095 0.000 0.641 1170 G HN 0.427 nan 8.290 nan 0.000 0.530 1171 S N 0.425 116.191 115.700 0.111 0.000 2.569 1171 S HA 0.258 4.728 4.470 -0.000 0.000 0.274 1171 S C 1.229 175.869 174.600 0.066 0.000 1.353 1171 S CA 0.455 58.710 58.200 0.092 0.000 1.023 1171 S CB 0.583 63.859 63.200 0.126 0.000 0.876 1171 S HN 0.344 nan 8.310 nan 0.000 0.540 1172 D N 0.637 121.063 120.400 0.044 0.000 2.218 1172 D HA -0.006 4.633 4.640 -0.000 0.000 0.204 1172 D C 1.133 177.436 176.300 0.005 0.000 0.976 1172 D CA 1.451 55.464 54.000 0.021 0.000 0.853 1172 D CB 0.077 40.880 40.800 0.005 0.000 0.939 1172 D HN 0.670 nan 8.370 nan 0.000 0.481 1173 T N -3.975 110.587 114.554 0.014 0.000 2.816 1173 T HA 0.413 4.763 4.350 -0.000 0.000 0.299 1173 T C 0.284 174.992 174.700 0.013 0.000 1.230 1173 T CA -0.687 61.407 62.100 -0.010 0.000 1.007 1173 T CB 1.736 70.592 68.868 -0.019 0.000 1.289 1173 T HN -0.120 nan 8.240 nan 0.000 0.508 1174 V N -0.954 118.934 119.914 -0.042 0.000 3.177 1174 V HA 0.659 4.778 4.120 -0.000 0.000 0.342 1174 V C 2.124 178.252 176.094 0.057 0.000 1.379 1174 V CA 0.494 62.748 62.300 -0.076 0.000 1.191 1174 V CB -1.028 30.617 31.823 -0.297 0.000 1.167 1174 V HN 1.098 nan 8.190 nan 0.000 0.471 1175 A N 0.708 123.548 122.820 0.035 0.000 1.940 1175 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 1175 A C 2.106 179.685 177.584 -0.008 0.000 1.176 1175 A CA 1.923 53.962 52.037 0.004 0.000 0.631 1175 A CB -0.294 18.698 19.000 -0.013 0.000 0.814 1175 A HN 0.550 nan 8.150 nan 0.000 0.446 1176 E N -0.190 120.034 120.200 0.040 0.000 2.371 1176 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 1176 E C -0.147 176.415 176.600 -0.062 0.000 1.012 1176 E CA 0.083 56.468 56.400 -0.025 0.000 0.860 1176 E CB -0.355 29.356 29.700 0.017 0.000 0.811 1176 E HN 0.742 nan 8.360 nan 0.000 0.502 1177 H N -0.218 118.769 119.070 -0.138 0.000 2.871 1177 H HA 0.053 4.609 4.556 -0.000 0.000 0.355 1177 H C -0.252 174.882 175.328 -0.322 0.000 1.092 1177 H CA 0.419 56.330 56.048 -0.228 0.000 1.420 1177 H CB 0.058 29.634 29.762 -0.309 0.000 1.400 1177 H HN -0.138 nan 8.280 nan 0.000 0.604 1178 F N 1.630 121.189 119.950 -0.652 0.000 2.397 1178 F HA 0.362 4.889 4.527 -0.000 0.000 0.331 1178 F C -0.299 175.009 175.800 -0.820 0.000 1.090 1178 F CA -0.697 56.790 58.000 -0.855 0.000 1.065 1178 F CB 1.024 39.100 39.000 -1.540 0.000 1.184 1178 F HN 0.261 nan 8.300 nan 0.000 0.499 1179 L N 2.704 123.756 121.223 -0.285 0.000 2.431 1179 L HA 0.543 4.883 4.340 -0.000 0.000 0.266 1179 L C -0.876 176.014 176.870 0.033 0.000 0.978 1179 L CA -0.271 54.487 54.840 -0.136 0.000 0.822 1179 L CB 1.861 43.742 42.059 -0.297 0.000 1.310 1179 L HN 0.751 nan 8.230 nan 0.000 0.409 1183 A N 1.144 124.005 122.820 0.068 0.000 2.357 1183 A HA 0.579 4.899 4.320 -0.000 0.000 0.295 1183 A C 0.184 177.817 177.584 0.082 0.000 1.121 1183 A CA -0.557 51.509 52.037 0.049 0.000 0.742 1183 A CB 0.785 19.817 19.000 0.054 0.000 1.181 1183 A HN 0.031 nan 8.150 nan 0.000 0.454 1184 D N 1.178 121.615 120.400 0.062 0.000 2.327 1184 D HA 0.077 4.717 4.640 -0.000 0.000 0.205 1184 D C 0.309 176.674 176.300 0.108 0.000 0.989 1184 D CA 1.155 55.202 54.000 0.077 0.000 0.873 1184 D CB 0.757 41.587 40.800 0.051 0.000 0.955 1184 D HN 0.765 nan 8.370 nan 0.000 0.515 1185 E N -0.724 119.537 120.200 0.102 0.000 2.392 1185 E HA 0.511 4.861 4.350 -0.000 0.000 0.269 1185 E C -1.003 175.705 176.600 0.180 0.000 0.924 1185 E CA -0.918 55.553 56.400 0.118 0.000 0.784 1185 E CB 2.586 32.300 29.700 0.024 0.000 1.292 1185 E HN -0.064 nan 8.360 nan 0.000 0.447 1186 F N -1.841 118.107 119.950 -0.004 0.000 2.626 1186 F HA 0.627 5.154 4.527 -0.000 0.000 0.311 1186 F C -1.317 174.462 175.800 -0.035 0.000 1.088 1186 F CA -1.253 56.710 58.000 -0.062 0.000 0.949 1186 F CB 0.667 39.604 39.000 -0.106 0.000 1.322 1186 F HN 0.123 nan 8.300 nan 0.000 0.461 1187 V N 2.246 122.178 119.914 0.030 0.000 2.408 1187 V HA 0.155 4.275 4.120 -0.000 0.000 0.267 1187 V C 0.236 176.369 176.094 0.064 0.000 1.047 1187 V CA -0.464 61.822 62.300 -0.024 0.000 0.937 1187 V CB 0.813 32.641 31.823 0.009 0.000 0.999 1187 V HN 0.879 nan 8.190 nan 0.000 0.472 1188 E N 4.430 124.587 120.200 -0.072 0.000 2.392 1188 E HA 0.384 4.734 4.350 -0.000 0.000 0.264 1188 E C -0.563 176.112 176.600 0.124 0.000 1.024 1188 E CA -0.338 56.091 56.400 0.048 0.000 0.903 1188 E CB 1.298 30.968 29.700 -0.049 0.000 0.963 1188 E HN 0.632 nan 8.360 nan 0.000 0.432 1189 V N 1.096 121.114 119.914 0.174 0.000 3.040 1189 V HA 0.480 4.600 4.120 -0.000 0.000 0.312 1189 V C -0.495 175.630 176.094 0.052 0.000 1.115 1189 V CA -0.902 61.476 62.300 0.130 0.000 0.998 1189 V CB 1.744 33.684 31.823 0.195 0.000 1.042 1189 V HN 0.844 nan 8.190 nan 0.000 0.433 1190 D N 0.611 121.021 120.400 0.017 0.000 2.496 1190 D HA 0.289 4.928 4.640 -0.000 0.000 0.283 1190 D C 0.526 176.731 176.300 -0.158 0.000 1.214 1190 D CA 0.115 54.102 54.000 -0.021 0.000 1.089 1190 D CB 0.142 40.968 40.800 0.042 0.000 1.141 1190 D HN 0.550 nan 8.370 nan 0.000 0.580 1191 D N -1.405 118.932 120.400 -0.106 0.000 2.149 1191 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 1191 D C 1.546 177.753 176.300 -0.154 0.000 0.990 1191 D CA 2.209 56.116 54.000 -0.155 0.000 0.839 1191 D CB -0.659 40.125 40.800 -0.026 0.000 0.948 1191 D HN 0.598 nan 8.370 nan 0.000 0.460 1192 T N -2.730 111.837 114.554 0.021 0.000 3.219 1192 T HA 0.101 4.451 4.350 -0.000 0.000 0.249 1192 T C 0.421 175.320 174.700 0.332 0.000 1.099 1192 T CA -0.500 61.724 62.100 0.207 0.000 0.988 1192 T CB -0.949 68.101 68.868 0.302 0.000 0.999 1192 T HN 0.148 nan 8.240 nan 0.000 0.550 1193 F N -0.663 119.379 119.950 0.155 0.000 3.074 1193 F HA -0.201 4.326 4.527 -0.000 0.000 0.289 1193 F C 0.879 176.732 175.800 0.088 0.000 0.863 1193 F CA 0.001 58.087 58.000 0.145 0.000 1.121 1193 F CB -2.381 36.713 39.000 0.157 0.000 1.169 1193 F HN 0.496 nan 8.300 nan 0.000 0.570 1194 C N 1.251 120.629 119.300 0.130 0.000 2.329 1194 C HA 0.647 5.107 4.460 -0.000 0.000 0.329 1194 C C -1.832 173.206 174.990 0.080 0.000 1.275 1194 C CA -2.316 56.696 59.018 -0.009 0.000 1.726 1194 C CB 0.625 28.148 27.740 -0.361 0.000 2.291 1194 C HN 0.063 nan 8.230 nan 0.000 0.514 1195 P HA 0.055 nan 4.420 nan 0.000 0.265 1195 P C 0.662 178.031 177.300 0.115 0.000 1.187 1195 P CA 0.690 63.883 63.100 0.155 0.000 0.766 1195 P CB 0.587 32.444 31.700 0.263 0.000 0.820 1196 T N -1.134 113.413 114.554 -0.011 0.000 3.044 1196 T HA 0.285 4.635 4.350 -0.000 0.000 0.250 1196 T C 1.317 175.807 174.700 -0.350 0.000 1.081 1196 T CA 0.554 62.642 62.100 -0.020 0.000 1.040 1196 T CB -0.404 68.468 68.868 0.007 0.000 0.962 1196 T HN 0.602 nan 8.240 nan 0.000 0.506 1197 G N 1.078 109.398 108.800 -0.801 0.000 2.195 1197 G HA2 0.051 4.010 3.960 -0.000 0.000 0.224 1197 G HA3 0.051 4.010 3.960 -0.000 0.000 0.224 1197 G C 0.222 174.987 174.900 -0.226 0.000 0.990 1197 G CA -0.201 44.141 45.100 -1.262 0.000 0.639 1197 G HN 1.111 nan 8.290 nan 0.000 0.514 1198 A N 0.622 123.382 122.820 -0.099 0.000 2.304 1198 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 1198 A C -0.025 177.561 177.584 0.002 0.000 1.132 1198 A CA -0.383 51.644 52.037 -0.016 0.000 0.819 1198 A CB 0.677 19.644 19.000 -0.054 0.000 1.094 1198 A HN 0.557 nan 8.150 nan 0.000 0.492 1199 I N 1.511 122.070 120.570 -0.019 0.000 2.433 1199 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 1199 I C 0.200 176.188 176.117 -0.215 0.000 1.001 1199 I CA -0.185 61.053 61.300 -0.104 0.000 1.119 1199 I CB 1.486 39.485 38.000 -0.002 0.000 1.289 1199 I HN 0.749 nan 8.210 nan 0.000 0.438 1200 R N 2.586 122.801 120.500 -0.474 0.000 2.637 1200 R HA 0.434 4.773 4.340 -0.000 0.000 0.291 1200 R C -0.151 176.001 176.300 -0.246 0.000 0.963 1200 R CA -0.646 55.187 56.100 -0.444 0.000 0.901 1200 R CB 2.457 32.333 30.300 -0.707 0.000 1.160 1200 R HN 0.682 nan 8.270 nan 0.000 0.457 1201 S N 0.605 116.293 115.700 -0.019 0.000 2.572 1201 S HA 0.008 4.478 4.470 -0.000 0.000 0.279 1201 S C 0.971 175.734 174.600 0.273 0.000 1.341 1201 S CA -0.467 57.792 58.200 0.098 0.000 1.043 1201 S CB 1.329 64.572 63.200 0.072 0.000 0.887 1201 S HN 0.448 nan 8.310 nan 0.000 0.516 1202 V N 4.062 124.144 119.914 0.280 0.000 3.235 1202 V HA 0.103 4.223 4.120 -0.000 0.000 0.259 1202 V C 0.868 177.049 176.094 0.146 0.000 1.133 1202 V CA 1.046 63.530 62.300 0.307 0.000 1.128 1202 V CB -0.650 31.314 31.823 0.235 0.000 0.757 1202 V HN 1.028 nan 8.190 nan 0.000 0.469 1203 T N 2.263 116.881 114.554 0.107 0.000 2.891 1203 T HA -0.013 4.337 4.350 -0.000 0.000 0.296 1203 T C 0.574 175.297 174.700 0.038 0.000 1.025 1203 T CA 1.016 63.150 62.100 0.055 0.000 1.149 1203 T CB -0.049 68.847 68.868 0.048 0.000 1.007 1203 T HN 0.636 nan 8.240 nan 0.000 0.528 1204 D N 0.145 120.546 120.400 0.001 0.000 3.059 1204 D HA -0.151 4.489 4.640 -0.000 0.000 0.220 1204 D C 0.667 176.938 176.300 -0.048 0.000 1.169 1204 D CA 1.825 55.812 54.000 -0.021 0.000 0.902 1204 D CB -1.500 39.298 40.800 -0.004 0.000 1.116 1204 D HN 0.799 nan 8.370 nan 0.000 0.417 1205 T N -4.640 109.874 114.554 -0.067 0.000 2.949 1205 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 1205 T C 1.456 175.975 174.700 -0.302 0.000 1.034 1205 T CA -0.129 61.877 62.100 -0.157 0.000 1.018 1205 T CB 1.978 70.793 68.868 -0.088 0.000 1.135 1205 T HN -0.091 nan 8.240 nan 0.000 0.532 1206 G N -0.530 107.968 108.800 -0.503 0.000 2.848 1206 G HA2 0.152 4.112 3.960 -0.000 0.000 0.208 1206 G HA3 0.152 4.112 3.960 -0.000 0.000 0.208 1206 G C 0.244 174.725 174.900 -0.699 0.000 1.152 1206 G CA -0.161 44.592 45.100 -0.577 0.000 0.789 1206 G HN 0.598 nan 8.290 nan 0.000 0.531 1207 F N 0.243 119.907 119.950 -0.477 0.000 2.664 1207 F HA 0.295 4.822 4.527 -0.000 0.000 0.303 1207 F C 0.531 176.006 175.800 -0.542 0.000 1.092 1207 F CA -1.656 56.019 58.000 -0.543 0.000 1.305 1207 F CB 0.445 39.129 39.000 -0.526 0.000 1.054 1207 F HN -0.027 nan 8.300 nan 0.000 0.565 1208 D N 0.169 120.349 120.400 -0.367 0.000 2.352 1208 D HA 0.066 4.706 4.640 -0.000 0.000 0.245 1208 D C -0.065 176.025 176.300 -0.350 0.000 1.224 1208 D CA 0.164 54.039 54.000 -0.209 0.000 0.879 1208 D CB 0.166 40.895 40.800 -0.119 0.000 1.057 1208 D HN 0.075 nan 8.370 nan 0.000 0.491 1209 F N 2.074 122.050 119.950 0.043 0.000 2.654 1209 F HA 0.268 4.795 4.527 -0.000 0.000 0.303 1209 F C 2.059 177.898 175.800 0.064 0.000 1.099 1209 F CA -0.414 57.609 58.000 0.040 0.000 1.270 1209 F CB 0.298 39.312 39.000 0.023 0.000 1.024 1209 F HN 0.198 nan 8.300 nan 0.000 0.548 1210 R N -0.070 120.538 120.500 0.181 0.000 2.193 1210 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 1210 R C 1.829 178.216 176.300 0.143 0.000 1.110 1210 R CA 1.575 57.763 56.100 0.147 0.000 0.988 1210 R CB -0.304 30.056 30.300 0.100 0.000 0.871 1210 R HN 0.279 nan 8.270 nan 0.000 0.458 1211 S N -1.013 114.772 115.700 0.141 0.000 2.539 1211 S HA 0.208 4.678 4.470 -0.000 0.000 0.221 1211 S C 0.661 175.391 174.600 0.216 0.000 0.987 1211 S CA -0.002 58.285 58.200 0.145 0.000 0.929 1211 S CB 0.978 64.237 63.200 0.099 0.000 0.832 1211 S HN 0.392 nan 8.310 nan 0.000 0.492 1212 G N 2.234 111.196 108.800 0.270 0.000 3.341 1212 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.374 1212 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.374 1212 G C -0.627 174.466 174.900 0.321 0.000 0.885 1212 G CA 0.029 45.344 45.100 0.358 0.000 0.740 1212 G HN 0.945 nan 8.290 nan 0.000 0.390 1213 K N 0.850 121.380 120.400 0.216 0.000 2.430 1213 K HA 0.734 5.054 4.320 -0.000 0.000 0.268 1213 K C -0.161 176.284 176.600 -0.258 0.000 1.043 1213 K CA -1.215 55.079 56.287 0.012 0.000 0.899 1213 K CB 1.328 33.828 32.500 -0.001 0.000 1.472 1213 K HN 0.413 nan 8.250 nan 0.000 0.451 1214 Q N 0.776 120.256 119.800 -0.532 0.000 2.293 1214 Q HA 0.225 4.565 4.340 -0.000 0.000 0.251 1214 Q C 0.690 176.595 176.000 -0.158 0.000 0.930 1214 Q CA -0.346 55.123 55.803 -0.556 0.000 0.893 1214 Q CB 1.217 29.562 28.738 -0.654 0.000 1.215 1214 Q HN 0.519 nan 8.270 nan 0.000 0.425 1215 L N 2.326 123.515 121.223 -0.058 0.000 2.127 1215 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 1215 L C 2.217 179.092 176.870 0.009 0.000 1.089 1215 L CA 1.560 56.432 54.840 0.054 0.000 0.757 1215 L CB -0.586 41.496 42.059 0.038 0.000 0.899 1215 L HN 0.708 nan 8.230 nan 0.000 0.434 1216 K N 0.673 121.045 120.400 -0.047 0.000 2.362 1216 K HA -0.163 4.157 4.320 -0.000 0.000 0.202 1216 K C 0.248 176.813 176.600 -0.059 0.000 1.045 1216 K CA 1.131 57.387 56.287 -0.052 0.000 0.936 1216 K CB -0.321 32.141 32.500 -0.064 0.000 0.747 1216 K HN 0.388 nan 8.250 nan 0.000 0.467 1217 E N 1.695 121.853 120.200 -0.069 0.000 1.924 1217 E HA 0.083 4.433 4.350 -0.000 0.000 0.261 1217 E C -0.929 175.604 176.600 -0.112 0.000 1.088 1217 E CA -0.244 56.100 56.400 -0.092 0.000 0.909 1217 E CB 0.945 30.578 29.700 -0.112 0.000 1.112 1217 E HN 0.145 nan 8.360 nan 0.000 0.425 1218 S N 2.547 118.183 115.700 -0.108 0.000 2.564 1218 S HA 0.431 4.901 4.470 -0.000 0.000 0.141 1218 S C 0.181 174.693 174.600 -0.146 0.000 1.474 1218 S CA 0.234 58.344 58.200 -0.149 0.000 1.236 1218 S CB 0.018 63.173 63.200 -0.076 0.000 1.481 1218 S HN 0.801 nan 8.310 nan 0.000 0.397 1219 G N 3.288 111.994 108.800 -0.156 0.000 2.749 1219 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.242 1219 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.242 1219 G C -1.212 173.640 174.900 -0.080 0.000 1.364 1219 G CA -0.445 44.581 45.100 -0.124 0.000 0.888 1219 G HN 0.625 nan 8.290 nan 0.000 0.566 1220 K N 1.790 122.154 120.400 -0.061 0.000 2.604 1220 K HA 0.335 4.654 4.320 -0.000 0.000 0.247 1220 K C -0.263 176.322 176.600 -0.025 0.000 0.956 1220 K CA -0.447 55.816 56.287 -0.040 0.000 0.896 1220 K CB 1.601 34.080 32.500 -0.035 0.000 1.131 1220 K HN 0.841 nan 8.250 nan 0.000 0.440 1221 D N 0.217 120.607 120.400 -0.017 0.000 2.478 1221 D HA 0.297 4.937 4.640 -0.000 0.000 0.263 1221 D C 0.226 176.528 176.300 0.003 0.000 1.153 1221 D CA -0.792 53.207 54.000 -0.001 0.000 1.038 1221 D CB 1.291 42.097 40.800 0.010 0.000 1.120 1221 D HN 0.224 nan 8.370 nan 0.000 0.564 1222 A N -0.672 122.156 122.820 0.013 0.000 2.337 1222 A HA 0.074 4.394 4.320 -0.000 0.000 0.227 1222 A C 0.941 178.535 177.584 0.016 0.000 1.259 1222 A CA -0.004 52.042 52.037 0.015 0.000 0.870 1222 A CB -0.376 18.636 19.000 0.021 0.000 0.927 1222 A HN 0.588 nan 8.150 nan 0.000 0.497 1223 E N -0.755 119.453 120.200 0.012 0.000 2.606 1223 E HA 0.046 4.396 4.350 -0.000 0.000 0.224 1223 E C -0.430 176.167 176.600 -0.006 0.000 0.930 1223 E CA -0.200 56.205 56.400 0.008 0.000 1.125 1223 E CB 0.412 30.119 29.700 0.013 0.000 1.123 1223 E HN 0.337 nan 8.360 nan 0.000 0.522 1224 E N 0.337 120.532 120.200 -0.009 0.000 2.722 1224 E HA -0.219 4.131 4.350 -0.000 0.000 0.265 1224 E C -0.511 176.072 176.600 -0.028 0.000 1.081 1224 E CA 0.837 57.227 56.400 -0.017 0.000 0.781 1224 E CB -1.714 27.978 29.700 -0.014 0.000 1.372 1224 E HN 0.371 nan 8.360 nan 0.000 0.423 1225 L N 0.269 121.472 121.223 -0.032 0.000 2.346 1225 L HA 0.444 4.784 4.340 -0.000 0.000 0.274 1225 L C 0.746 177.586 176.870 -0.050 0.000 1.007 1225 L CA -0.945 53.862 54.840 -0.055 0.000 0.818 1225 L CB 1.286 43.296 42.059 -0.082 0.000 1.284 1225 L HN -0.062 nan 8.230 nan 0.000 0.424 1226 L N 2.511 123.697 121.223 -0.062 0.000 2.369 1226 L HA 0.096 4.436 4.340 -0.000 0.000 0.279 1226 L C 0.057 176.902 176.870 -0.042 0.000 1.108 1226 L CA -0.315 54.502 54.840 -0.039 0.000 0.852 1226 L CB 0.454 42.487 42.059 -0.042 0.000 1.169 1226 L HN 0.655 nan 8.230 nan 0.000 0.452 1227 D N 2.260 122.681 120.400 0.036 0.000 2.561 1227 D HA 0.141 4.781 4.640 -0.000 0.000 0.232 1227 D C 0.113 176.537 176.300 0.206 0.000 1.198 1227 D CA -0.543 53.520 54.000 0.105 0.000 0.826 1227 D CB 0.204 41.140 40.800 0.227 0.000 0.992 1227 D HN 0.147 nan 8.370 nan 0.000 0.490 1228 L N 1.058 122.363 121.223 0.136 0.000 2.490 1228 L HA 0.349 4.689 4.340 -0.000 0.000 0.274 1228 L C -0.362 176.577 176.870 0.116 0.000 1.201 1228 L CA 0.827 55.767 54.840 0.167 0.000 0.869 1228 L CB 0.627 42.737 42.059 0.085 0.000 1.123 1228 L HN 0.202 nan 8.230 nan 0.000 0.484 1229 D N 3.176 123.624 120.400 0.080 0.000 4.135 1229 D HA 0.159 4.799 4.640 -0.000 0.000 0.227 1229 D C -1.423 174.885 176.300 0.014 0.000 1.501 1229 D CA -0.268 53.772 54.000 0.066 0.000 1.027 1229 D CB -0.214 40.681 40.800 0.159 0.000 1.320 1229 D HN 0.691 nan 8.370 nan 0.000 0.855 1230 N N 0.074 118.562 118.700 -0.353 0.000 2.697 1230 N HA 0.365 5.105 4.740 -0.000 0.000 0.272 1230 N C -1.320 174.025 175.510 -0.276 0.000 1.381 1230 N CA -0.704 52.236 53.050 -0.184 0.000 0.797 1230 N CB 1.384 39.680 38.487 -0.318 0.000 1.523 1230 N HN -0.024 nan 8.380 nan 0.000 0.518 1231 D N 1.242 121.656 120.400 0.024 0.000 2.280 1231 D HA 0.305 4.945 4.640 -0.000 0.000 0.243 1231 D C -0.525 175.721 176.300 -0.089 0.000 1.129 1231 D CA -0.047 53.952 54.000 -0.003 0.000 0.848 1231 D CB 0.889 41.683 40.800 -0.010 0.000 1.107 1231 D HN 0.119 nan 8.370 nan 0.000 0.471 1232 L N 3.478 124.618 121.223 -0.137 0.000 2.276 1232 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 1232 L C -0.394 176.397 176.870 -0.130 0.000 1.024 1232 L CA -0.791 53.995 54.840 -0.090 0.000 0.826 1232 L CB 1.435 43.439 42.059 -0.091 0.000 1.211 1232 L HN 0.140 nan 8.230 nan 0.000 0.422 1233 V N 5.476 125.321 119.914 -0.114 0.000 2.446 1233 V HA 0.113 4.233 4.120 -0.000 0.000 0.276 1233 V C 0.923 176.937 176.094 -0.134 0.000 1.030 1233 V CA -0.264 61.936 62.300 -0.166 0.000 1.033 1233 V CB 0.654 32.409 31.823 -0.113 0.000 0.993 1233 V HN 0.461 nan 8.190 nan 0.000 0.477 1234 I N 4.430 124.877 120.570 -0.205 0.000 2.598 1234 I HA 0.042 4.212 4.170 -0.000 0.000 0.284 1234 I C 0.879 176.852 176.117 -0.240 0.000 1.140 1234 I CA 0.354 61.489 61.300 -0.275 0.000 1.420 1234 I CB 0.525 38.223 38.000 -0.503 0.000 1.387 1234 I HN 0.569 nan 8.210 nan 0.000 0.553 1235 T N 7.511 121.963 114.554 -0.169 0.000 2.743 1235 T HA 0.187 4.536 4.350 -0.000 0.000 0.290 1235 T C 0.024 174.648 174.700 -0.127 0.000 0.908 1235 T CA -0.398 61.645 62.100 -0.095 0.000 1.092 1235 T CB -0.157 68.700 68.868 -0.018 0.000 0.882 1235 T HN 0.427 nan 8.240 nan 0.000 0.531 1236 K N 3.216 123.542 120.400 -0.122 0.000 2.221 1236 K HA 0.465 4.785 4.320 -0.000 0.000 0.258 1236 K C 0.042 176.638 176.600 -0.008 0.000 0.944 1236 K CA -1.058 55.179 56.287 -0.083 0.000 0.823 1236 K CB 1.671 34.091 32.500 -0.133 0.000 1.113 1236 K HN 0.204 nan 8.250 nan 0.000 0.431 1237 K N 0.245 120.665 120.400 0.034 0.000 2.462 1237 K HA 0.256 4.576 4.320 -0.000 0.000 0.257 1237 K C 0.805 177.418 176.600 0.022 0.000 1.062 1237 K CA 0.205 56.510 56.287 0.030 0.000 0.923 1237 K CB 0.343 32.867 32.500 0.040 0.000 1.210 1237 K HN 0.611 nan 8.250 nan 0.000 0.502 1238 T N -1.382 113.184 114.554 0.019 0.000 3.602 1238 T HA 0.156 4.506 4.350 -0.000 0.000 0.287 1238 T C -1.740 172.968 174.700 0.013 0.000 0.967 1238 T CA -0.404 61.705 62.100 0.015 0.000 1.111 1238 T CB -0.787 68.088 68.868 0.012 0.000 1.156 1238 T HN 0.634 nan 8.240 nan 0.000 0.470 1245 T N 4.510 118.793 114.554 -0.452 0.000 2.851 1245 T HA 0.319 4.669 4.350 -0.000 0.000 0.298 1245 T C -0.066 174.414 174.700 -0.367 0.000 0.977 1245 T CA 0.228 62.082 62.100 -0.410 0.000 1.126 1245 T CB 0.248 68.988 68.868 -0.212 0.000 0.916 1245 T HN 0.587 nan 8.240 nan 0.000 0.529 1246 Y N 1.735 121.980 120.300 -0.091 0.000 2.444 1246 Y HA 0.498 5.048 4.550 -0.000 0.000 0.252 1246 Y C 0.363 176.220 175.900 -0.071 0.000 1.091 1246 Y CA -0.499 57.556 58.100 -0.075 0.000 1.276 1246 Y CB 0.455 38.859 38.460 -0.094 0.000 1.170 1246 Y HN 0.419 nan 8.280 nan 0.000 0.517 1247 L N 0.445 121.685 121.223 0.029 0.000 2.482 1247 L HA 0.646 4.985 4.340 -0.000 0.000 0.263 1247 L C -1.452 175.415 176.870 -0.005 0.000 0.957 1247 L CA -0.714 54.120 54.840 -0.010 0.000 0.836 1247 L CB 2.006 44.008 42.059 -0.095 0.000 1.324 1247 L HN -0.116 nan 8.230 nan 0.000 0.406 1248 R N 4.482 125.050 120.500 0.112 0.000 2.502 1248 R HA 0.520 4.860 4.340 -0.000 0.000 0.300 1248 R C -1.782 174.776 176.300 0.430 0.000 0.984 1248 R CA -0.532 55.722 56.100 0.257 0.000 0.882 1248 R CB 2.334 32.837 30.300 0.338 0.000 1.180 1248 R HN 0.430 nan 8.270 nan 0.000 0.444 1249 F N 4.521 124.572 119.950 0.169 0.000 2.518 1249 F HA 0.600 5.127 4.527 -0.000 0.000 0.323 1249 F C -1.389 174.574 175.800 0.271 0.000 1.129 1249 F CA -1.246 56.793 58.000 0.064 0.000 0.920 1249 F CB 1.079 40.029 39.000 -0.083 0.000 1.160 1249 F HN 0.665 nan 8.300 nan 0.000 0.440 1250 W N 3.420 124.568 121.300 -0.253 0.000 3.025 1250 W HA 0.705 5.365 4.660 -0.000 0.000 0.343 1250 W C -1.941 174.371 176.519 -0.345 0.000 1.246 1250 W CA -1.435 55.748 57.345 -0.270 0.000 1.178 1250 W CB 0.968 30.343 29.460 -0.140 0.000 1.463 1250 W HN 0.591 nan 8.180 nan 0.000 0.578 1251 S N 0.355 115.992 115.700 -0.105 0.000 2.659 1251 S HA 0.260 4.730 4.470 -0.000 0.000 0.312 1251 S C 0.260 174.859 174.600 -0.002 0.000 1.114 1251 S CA -0.419 57.605 58.200 -0.293 0.000 1.063 1251 S CB 1.241 64.119 63.200 -0.538 0.000 0.996 1251 S HN 0.642 nan 8.310 nan 0.000 0.478 1252 E N 3.218 123.449 120.200 0.052 0.000 2.204 1252 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 1252 E C 1.697 178.309 176.600 0.021 0.000 0.990 1252 E CA 0.821 57.254 56.400 0.054 0.000 0.821 1252 E CB 0.072 29.793 29.700 0.036 0.000 0.750 1252 E HN 0.707 nan 8.360 nan 0.000 0.477 1253 K N 0.981 121.374 120.400 -0.011 0.000 1.965 1253 K HA -0.155 4.165 4.320 -0.000 0.000 0.214 1253 K C 2.280 178.886 176.600 0.010 0.000 1.046 1253 K CA 1.960 58.244 56.287 -0.006 0.000 0.944 1253 K CB -0.118 32.367 32.500 -0.025 0.000 0.726 1253 K HN 0.111 nan 8.250 nan 0.000 0.441 1254 S N -1.023 114.681 115.700 0.006 0.000 2.522 1254 S HA 0.099 4.569 4.470 -0.000 0.000 0.227 1254 S C 1.391 176.042 174.600 0.084 0.000 0.986 1254 S CA 0.662 58.890 58.200 0.046 0.000 0.929 1254 S CB 0.087 63.321 63.200 0.057 0.000 0.769 1254 S HN 0.690 nan 8.310 nan 0.000 0.529 1255 G N 1.084 109.927 108.800 0.071 0.000 2.168 1255 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 1255 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 1255 G C 0.040 175.011 174.900 0.119 0.000 0.977 1255 G CA 0.442 45.605 45.100 0.106 0.000 0.659 1255 G HN 0.615 nan 8.290 nan 0.000 0.533 1256 I N 0.721 121.344 120.570 0.089 0.000 2.428 1256 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 1256 I C 0.475 176.641 176.117 0.083 0.000 1.019 1256 I CA -0.267 61.068 61.300 0.058 0.000 1.351 1256 I CB 1.448 39.532 38.000 0.141 0.000 1.412 1256 I HN 0.282 nan 8.210 nan 0.000 0.513 1257 E N 6.155 126.383 120.200 0.047 0.000 2.288 1257 E HA 0.586 4.935 4.350 -0.000 0.000 0.268 1257 E C -1.812 174.789 176.600 0.002 0.000 0.885 1257 E CA -0.892 55.556 56.400 0.080 0.000 0.767 1257 E CB 2.394 32.092 29.700 -0.003 0.000 1.220 1257 E HN 0.409 nan 8.360 nan 0.000 0.427 1258 L N 3.161 124.388 121.223 0.006 0.000 2.381 1258 L HA 0.563 4.903 4.340 -0.000 0.000 0.274 1258 L C -1.413 175.359 176.870 -0.164 0.000 0.988 1258 L CA -0.219 54.498 54.840 -0.205 0.000 0.824 1258 L CB 1.851 43.784 42.059 -0.210 0.000 1.263 1258 L HN 0.560 nan 8.230 nan 0.000 0.410 1259 S N 5.153 120.681 115.700 -0.287 0.000 2.513 1259 S HA 0.877 5.346 4.470 -0.000 0.000 0.299 1259 S C -0.580 173.823 174.600 -0.328 0.000 1.087 1259 S CA -0.690 57.376 58.200 -0.224 0.000 1.012 1259 S CB 1.379 64.464 63.200 -0.190 0.000 1.044 1259 S HN 0.597 nan 8.310 nan 0.000 0.485 1260 I N 1.479 121.867 120.570 -0.302 0.000 2.730 1260 I HA 0.575 4.745 4.170 -0.000 0.000 0.298 1260 I C -0.434 175.505 176.117 -0.296 0.000 1.089 1260 I CA -0.488 60.581 61.300 -0.385 0.000 1.041 1260 I CB 2.663 40.381 38.000 -0.470 0.000 1.235 1260 I HN 0.753 nan 8.210 nan 0.000 0.423 1261 T N 2.804 117.177 114.554 -0.302 0.000 2.916 1261 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 1261 T C -1.037 173.585 174.700 -0.130 0.000 1.031 1261 T CA -0.291 61.650 62.100 -0.266 0.000 0.993 1261 T CB 1.593 70.255 68.868 -0.344 0.000 1.045 1261 T HN 0.784 nan 8.240 nan 0.000 0.454 1262 T N 0.923 115.514 114.554 0.062 0.000 2.868 1262 T HA 0.493 4.843 4.350 -0.000 0.000 0.306 1262 T C 1.175 175.894 174.700 0.032 0.000 1.224 1262 T CA 0.116 62.225 62.100 0.016 0.000 1.012 1262 T CB 1.276 70.161 68.868 0.028 0.000 1.221 1262 T HN 0.637 nan 8.240 nan 0.000 0.499 1263 S N 1.221 116.854 115.700 -0.112 0.000 2.470 1263 S HA 0.159 4.629 4.470 -0.000 0.000 0.225 1263 S C 0.626 175.047 174.600 -0.299 0.000 1.006 1263 S CA -0.001 58.080 58.200 -0.199 0.000 0.934 1263 S CB -0.670 62.354 63.200 -0.292 0.000 0.778 1263 S HN 0.678 nan 8.310 nan 0.000 0.517 1264 Y N 3.153 123.299 120.300 -0.257 0.000 2.578 1264 Y HA 0.185 4.735 4.550 -0.000 0.000 0.339 1264 Y C -0.965 174.735 175.900 -0.332 0.000 1.231 1264 Y CA -1.487 56.364 58.100 -0.414 0.000 1.461 1264 Y CB 0.390 38.625 38.460 -0.375 0.000 1.323 1264 Y HN 0.093 nan 8.280 nan 0.000 0.590 1265 P HA -0.040 nan 4.420 nan 0.000 0.231 1265 P C -0.263 176.902 177.300 -0.225 0.000 1.168 1265 P CA 1.018 64.031 63.100 -0.145 0.000 0.779 1265 P CB 0.443 32.153 31.700 0.017 0.000 0.844 1266 V N -3.285 116.485 119.914 -0.240 0.000 3.160 1266 V HA 0.646 4.765 4.120 -0.000 0.000 0.310 1266 V C -1.180 174.790 176.094 -0.207 0.000 1.181 1266 V CA -1.474 60.658 62.300 -0.281 0.000 1.047 1266 V CB 2.562 34.126 31.823 -0.431 0.000 1.068 1266 V HN -0.246 nan 8.190 nan 0.000 0.441 1267 I N 1.778 122.236 120.570 -0.187 0.000 2.497 1267 I HA 0.395 4.565 4.170 -0.000 0.000 0.284 1267 I C -1.089 174.943 176.117 -0.142 0.000 1.060 1267 I CA -0.439 60.763 61.300 -0.164 0.000 1.071 1267 I CB 1.605 39.501 38.000 -0.173 0.000 1.216 1267 I HN 0.921 nan 8.210 nan 0.000 0.442 1268 H N 7.043 125.996 119.070 -0.194 0.000 2.742 1268 H HA 0.495 5.051 4.556 -0.000 0.000 0.302 1268 H C -1.153 174.069 175.328 -0.177 0.000 1.069 1268 H CA 0.100 56.049 56.048 -0.165 0.000 1.446 1268 H CB 0.728 30.410 29.762 -0.135 0.000 1.462 1268 H HN 0.419 nan 8.280 nan 0.000 0.499 1269 L N 6.302 127.172 121.223 -0.588 0.000 2.287 1269 L HA 0.244 4.584 4.340 -0.000 0.000 0.287 1269 L C -1.148 175.481 176.870 -0.403 0.000 1.022 1269 L CA -0.962 53.615 54.840 -0.439 0.000 0.814 1269 L CB 0.854 42.673 42.059 -0.400 0.000 1.217 1269 L HN 0.625 nan 8.230 nan 0.000 0.420 1270 Y N 2.566 122.645 120.300 -0.368 0.000 2.338 1270 Y HA 0.494 5.043 4.550 -0.000 0.000 0.328 1270 Y C 0.546 176.346 175.900 -0.167 0.000 0.965 1270 Y CA -1.367 56.599 58.100 -0.224 0.000 1.208 1270 Y CB 1.849 40.247 38.460 -0.102 0.000 1.132 1270 Y HN 0.633 nan 8.280 nan 0.000 0.469 1271 A N 4.046 126.603 122.820 -0.437 0.000 2.263 1271 A HA 0.119 4.439 4.320 -0.000 0.000 0.205 1271 A C 1.457 178.672 177.584 -0.615 0.000 1.226 1271 A CA 1.044 52.822 52.037 -0.431 0.000 0.810 1271 A CB -0.977 17.887 19.000 -0.227 0.000 0.784 1271 A HN 1.501 nan 8.150 nan 0.000 0.486 1272 S N -1.477 113.463 115.700 -1.268 0.000 3.641 1272 S HA -0.259 4.211 4.470 -0.000 0.000 0.346 1272 S C 1.225 175.564 174.600 -0.435 0.000 1.074 1272 S CA 1.493 59.202 58.200 -0.819 0.000 1.026 1272 S CB -1.671 61.410 63.200 -0.197 0.000 0.908 1272 S HN 0.849 nan 8.310 nan 0.000 0.479 1273 K N -0.369 119.730 120.400 -0.502 0.000 2.097 1273 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 1273 K C 0.836 177.195 176.600 -0.401 0.000 1.049 1273 K CA 1.957 57.993 56.287 -0.418 0.000 0.933 1273 K CB -0.155 31.999 32.500 -0.577 0.000 0.717 1273 K HN 0.621 nan 8.250 nan 0.000 0.442 1274 F N 1.029 121.096 119.950 0.195 0.000 2.660 1274 F HA 0.205 4.732 4.527 -0.000 0.000 0.297 1274 F C 0.185 176.098 175.800 0.189 0.000 1.132 1274 F CA -0.781 57.335 58.000 0.194 0.000 1.372 1274 F CB 0.135 39.260 39.000 0.208 0.000 1.003 1274 F HN -0.026 nan 8.300 nan 0.000 0.524 1275 L N 0.971 122.346 121.223 0.253 0.000 2.395 1275 L HA 0.425 4.765 4.340 -0.000 0.000 0.269 1275 L C -0.519 176.453 176.870 0.171 0.000 1.133 1275 L CA 0.120 55.080 54.840 0.200 0.000 0.812 1275 L CB 0.889 43.009 42.059 0.101 0.000 1.125 1275 L HN 0.171 nan 8.230 nan 0.000 0.452 1276 D N 2.688 123.207 120.400 0.198 0.000 2.686 1276 D HA 0.295 4.935 4.640 -0.000 0.000 0.229 1276 D C -1.774 174.662 176.300 0.227 0.000 1.391 1276 D CA -0.166 53.975 54.000 0.235 0.000 0.948 1276 D CB -0.017 40.916 40.800 0.221 0.000 1.513 1276 D HN 0.666 nan 8.370 nan 0.000 0.522 1277 C N 1.707 121.161 119.300 0.257 0.000 3.173 1277 C HA 0.558 5.018 4.460 -0.000 0.000 0.310 1277 C C -0.500 174.546 174.990 0.094 0.000 1.306 1277 C CA -1.218 57.919 59.018 0.197 0.000 1.426 1277 C CB 2.036 29.947 27.740 0.285 0.000 1.800 1277 C HN 0.534 nan 8.230 nan 0.000 0.470 1278 K N 1.243 121.666 120.400 0.038 0.000 2.250 1278 K HA 0.488 4.808 4.320 -0.000 0.000 0.285 1278 K C 0.514 177.079 176.600 -0.058 0.000 1.097 1278 K CA 0.152 56.390 56.287 -0.081 0.000 0.913 1278 K CB 0.062 32.524 32.500 -0.063 0.000 1.179 1278 K HN 0.932 nan 8.250 nan 0.000 0.462 1279 G N 3.170 111.640 108.800 -0.551 0.000 2.695 1279 G HA2 0.175 4.135 3.960 -0.000 0.000 0.213 1279 G HA3 0.175 4.135 3.960 -0.000 0.000 0.213 1279 G C -0.778 173.981 174.900 -0.234 0.000 1.406 1279 G CA -0.764 44.034 45.100 -0.503 0.000 1.049 1279 G HN 0.581 nan 8.290 nan 0.000 0.573 1280 K N 0.505 120.841 120.400 -0.108 0.000 2.518 1280 K HA 0.058 4.378 4.320 -0.000 0.000 0.276 1280 K C 0.135 176.708 176.600 -0.046 0.000 0.974 1280 K CA 0.402 56.673 56.287 -0.027 0.000 0.986 1280 K CB 0.311 32.822 32.500 0.019 0.000 0.901 1280 K HN 0.418 nan 8.250 nan 0.000 0.497 1281 K N 0.101 120.488 120.400 -0.021 0.000 3.349 1281 K HA -0.253 4.067 4.320 -0.000 0.000 0.310 1281 K C 0.759 177.337 176.600 -0.037 0.000 1.267 1281 K CA 1.119 57.394 56.287 -0.020 0.000 0.920 1281 K CB -2.115 30.380 32.500 -0.010 0.000 1.240 1281 K HN 1.219 nan 8.250 nan 0.000 0.453 1282 G N 0.954 109.721 108.800 -0.056 0.000 2.155 1282 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.257 1282 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.257 1282 G C -0.003 174.837 174.900 -0.100 0.000 0.983 1282 G CA 0.858 45.919 45.100 -0.065 0.000 0.676 1282 G HN 0.571 nan 8.290 nan 0.000 0.528 1283 E N 0.198 120.308 120.200 -0.151 0.000 2.418 1283 E HA 0.229 4.579 4.350 -0.000 0.000 0.261 1283 E C 0.130 176.565 176.600 -0.275 0.000 1.070 1283 E CA -0.496 55.798 56.400 -0.176 0.000 0.931 1283 E CB 0.176 29.777 29.700 -0.166 0.000 0.954 1283 E HN 0.508 nan 8.360 nan 0.000 0.439 1284 H N 4.758 123.684 119.070 -0.240 0.000 2.724 1284 H HA 0.125 4.681 4.556 -0.000 0.000 0.278 1284 H C -1.017 174.252 175.328 -0.099 0.000 1.159 1284 H CA -1.007 54.925 56.048 -0.193 0.000 1.254 1284 H CB 0.033 29.748 29.762 -0.079 0.000 1.412 1284 H HN 0.388 nan 8.280 nan 0.000 0.488 1285 Y N 3.821 124.128 120.300 0.011 0.000 2.511 1285 Y HA 0.117 4.667 4.550 -0.000 0.000 0.332 1285 Y C 0.651 176.414 175.900 -0.227 0.000 1.177 1285 Y CA -0.094 57.933 58.100 -0.122 0.000 1.422 1285 Y CB 0.446 38.849 38.460 -0.095 0.000 1.271 1285 Y HN 0.593 nan 8.280 nan 0.000 0.550 1286 K N 0.947 121.293 120.400 -0.090 0.000 2.261 1286 K HA 0.834 5.154 4.320 -0.000 0.000 0.242 1286 K C -0.737 175.826 176.600 -0.061 0.000 1.083 1286 K CA -1.126 55.078 56.287 -0.140 0.000 0.880 1286 K CB 1.586 33.931 32.500 -0.260 0.000 1.353 1286 K HN 0.704 nan 8.250 nan 0.000 0.486 1287 A N 1.802 124.587 122.820 -0.059 0.000 2.587 1287 A HA -0.004 4.316 4.320 -0.000 0.000 0.235 1287 A C -0.095 177.429 177.584 -0.101 0.000 1.044 1287 A CA 0.654 52.640 52.037 -0.084 0.000 0.754 1287 A CB -0.450 18.496 19.000 -0.090 0.000 0.968 1287 A HN 0.901 nan 8.150 nan 0.000 0.509 1288 N N -0.329 118.286 118.700 -0.141 0.000 2.693 1288 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 1288 N C 0.830 176.274 175.510 -0.110 0.000 1.119 1288 N CA 1.452 54.417 53.050 -0.142 0.000 0.717 1288 N CB -0.756 37.664 38.487 -0.113 0.000 1.071 1288 N HN 0.870 nan 8.380 nan 0.000 0.555 1289 K N 0.467 120.806 120.400 -0.101 0.000 2.026 1289 K HA 0.087 4.407 4.320 -0.000 0.000 0.208 1289 K C 0.792 177.327 176.600 -0.107 0.000 1.048 1289 K CA 1.833 58.066 56.287 -0.091 0.000 0.929 1289 K CB 0.005 32.444 32.500 -0.102 0.000 0.713 1289 K HN 0.413 nan 8.250 nan 0.000 0.439 1290 A N -0.736 122.024 122.820 -0.100 0.000 2.475 1290 A HA 0.667 4.987 4.320 -0.000 0.000 0.281 1290 A C -1.663 175.882 177.584 -0.065 0.000 1.263 1290 A CA -0.678 51.328 52.037 -0.052 0.000 0.776 1290 A CB 0.941 19.935 19.000 -0.010 0.000 1.347 1290 A HN 0.176 nan 8.150 nan 0.000 0.443 1291 L N 0.438 121.636 121.223 -0.041 0.000 2.342 1291 L HA 0.728 5.067 4.340 -0.000 0.000 0.276 1291 L C 0.150 176.936 176.870 -0.141 0.000 0.997 1291 L CA -0.188 54.535 54.840 -0.195 0.000 0.838 1291 L CB 0.920 42.713 42.059 -0.443 0.000 1.224 1291 L HN 0.944 nan 8.230 nan 0.000 0.416 1292 A N 6.536 129.198 122.820 -0.263 0.000 2.409 1292 A HA 0.600 4.920 4.320 -0.000 0.000 0.267 1292 A C -0.280 177.184 177.584 -0.201 0.000 1.127 1292 A CA -0.103 51.725 52.037 -0.348 0.000 0.795 1292 A CB -0.237 18.404 19.000 -0.598 0.000 1.061 1292 A HN 0.700 nan 8.150 nan 0.000 0.502 1293 I N 2.824 123.380 120.570 -0.025 0.000 2.382 1293 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 1293 I C -0.494 175.611 176.117 -0.020 0.000 1.007 1293 I CA -0.065 61.202 61.300 -0.055 0.000 1.142 1293 I CB 1.452 39.424 38.000 -0.046 0.000 1.289 1293 I HN 0.719 nan 8.210 nan 0.000 0.453 1294 E N 7.600 127.735 120.200 -0.108 0.000 2.346 1294 E HA 0.331 4.681 4.350 -0.000 0.000 0.239 1294 E C -2.630 173.880 176.600 -0.150 0.000 0.943 1294 E CA -1.964 54.367 56.400 -0.116 0.000 0.751 1294 E CB 1.120 30.715 29.700 -0.175 0.000 1.241 1294 E HN 0.251 nan 8.360 nan 0.000 0.423 1295 P HA -0.056 nan 4.420 nan 0.000 0.271 1295 P C -0.737 176.169 177.300 -0.656 0.000 1.226 1295 P CA 0.368 63.306 63.100 -0.271 0.000 0.765 1295 P CB 0.558 32.174 31.700 -0.140 0.000 0.835 1296 Q N 1.492 120.911 119.800 -0.634 0.000 2.869 1296 Q HA 0.454 4.794 4.340 -0.000 0.000 0.322 1296 Q C -1.339 174.503 176.000 -0.263 0.000 0.832 1296 Q CA -0.845 54.496 55.803 -0.770 0.000 0.791 1296 Q CB 0.497 29.046 28.738 -0.315 0.000 1.412 1296 Q HN 0.092 nan 8.270 nan 0.000 0.483 1297 F N 0.705 120.707 119.950 0.087 0.000 2.370 1297 F HA 0.360 4.887 4.527 -0.000 0.000 0.319 1297 F C 0.398 176.262 175.800 0.107 0.000 1.129 1297 F CA -0.308 57.816 58.000 0.206 0.000 1.109 1297 F CB 0.632 39.798 39.000 0.276 0.000 1.262 1297 F HN 0.512 nan 8.300 nan 0.000 0.534 1298 H N -0.056 119.108 119.070 0.156 0.000 3.115 1298 H HA 0.012 4.567 4.556 -0.000 0.000 0.324 1298 H C 0.069 175.462 175.328 0.109 0.000 1.007 1298 H CA -0.073 55.951 56.048 -0.041 0.000 1.385 1298 H CB -0.095 29.400 29.762 -0.446 0.000 1.351 1298 H HN 0.381 nan 8.280 nan 0.000 0.592 1299 S N 1.865 117.676 115.700 0.186 0.000 2.562 1299 S HA 0.320 4.790 4.470 -0.000 0.000 0.281 1299 S C 1.033 175.847 174.600 0.357 0.000 1.333 1299 S CA 0.076 58.392 58.200 0.193 0.000 1.052 1299 S CB 0.613 63.871 63.200 0.097 0.000 0.884 1299 S HN 0.909 nan 8.310 nan 0.000 0.506 1300 A N 0.915 123.909 122.820 0.289 0.000 2.887 1300 A HA -0.218 4.102 4.320 -0.000 0.000 0.257 1300 A C 1.663 179.498 177.584 0.418 0.000 1.372 1300 A CA 1.184 53.419 52.037 0.329 0.000 0.879 1300 A CB -2.294 16.975 19.000 0.449 0.000 1.082 1300 A HN 1.373 nan 8.150 nan 0.000 0.703 1301 A N -0.332 122.744 122.820 0.426 0.000 1.917 1301 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 1301 A C 0.173 177.867 177.584 0.184 0.000 1.182 1301 A CA 2.083 54.360 52.037 0.400 0.000 0.633 1301 A CB -1.290 17.888 19.000 0.296 0.000 0.819 1301 A HN 0.564 nan 8.150 nan 0.000 0.448 1302 P HA -0.083 nan 4.420 nan 0.000 0.225 1302 P C 0.391 177.681 177.300 -0.016 0.000 1.148 1302 P CA 1.358 64.491 63.100 0.055 0.000 0.779 1302 P CB -0.206 31.517 31.700 0.039 0.000 0.780 1303 N N -2.269 116.354 118.700 -0.127 0.000 2.356 1303 N HA 0.110 4.850 4.740 -0.000 0.000 0.178 1303 N C -0.333 174.701 175.510 -0.793 0.000 1.075 1303 N CA 0.196 52.976 53.050 -0.451 0.000 0.889 1303 N CB 0.114 38.204 38.487 -0.662 0.000 0.999 1303 N HN 0.082 nan 8.380 nan 0.000 0.464 1304 F N 0.321 120.159 119.950 -0.186 0.000 2.499 1304 F HA 0.210 4.737 4.527 -0.000 0.000 0.333 1304 F C 0.256 175.918 175.800 -0.230 0.000 1.138 1304 F CA -1.415 56.384 58.000 -0.334 0.000 0.945 1304 F CB 1.435 39.828 39.000 -1.011 0.000 1.181 1304 F HN -0.030 nan 8.300 nan 0.000 0.435 1305 D N -0.324 120.129 120.400 0.088 0.000 2.378 1305 D HA -0.203 4.437 4.640 -0.000 0.000 0.222 1305 D C 1.505 177.887 176.300 0.136 0.000 0.980 1305 D CA 1.198 55.251 54.000 0.090 0.000 0.907 1305 D CB -0.439 40.403 40.800 0.070 0.000 0.899 1305 D HN 0.626 nan 8.370 nan 0.000 0.527 1306 H N -1.675 117.428 119.070 0.056 0.000 2.553 1306 H HA 0.145 4.701 4.556 -0.000 0.000 0.265 1306 H C -0.056 175.407 175.328 0.224 0.000 0.964 1306 H CA -0.317 55.787 56.048 0.094 0.000 1.156 1306 H CB -0.465 29.337 29.762 0.066 0.000 1.411 1306 H HN 0.036 nan 8.280 nan 0.000 0.558 1307 F N 2.409 122.143 119.950 -0.361 0.000 2.380 1307 F HA 0.435 4.962 4.527 -0.000 0.000 0.319 1307 F C -1.725 173.946 175.800 -0.216 0.000 1.113 1307 F CA -3.314 54.439 58.000 -0.412 0.000 1.056 1307 F CB 0.058 38.865 39.000 -0.322 0.000 1.289 1307 F HN -0.073 nan 8.300 nan 0.000 0.515 1308 P HA -0.036 nan 4.420 nan 0.000 0.266 1308 P C -0.652 176.656 177.300 0.015 0.000 1.195 1308 P CA 0.051 63.175 63.100 0.040 0.000 0.768 1308 P CB 0.322 32.141 31.700 0.197 0.000 0.838 1309 D N 2.608 123.001 120.400 -0.011 0.000 2.338 1309 D HA 0.022 4.662 4.640 -0.000 0.000 0.255 1309 D C 0.557 176.775 176.300 -0.137 0.000 1.237 1309 D CA -0.081 53.904 54.000 -0.025 0.000 0.883 1309 D CB 0.503 41.304 40.800 0.002 0.000 1.087 1309 D HN 0.084 nan 8.370 nan 0.000 0.485 1310 V N 1.929 121.756 119.914 -0.145 0.000 3.170 1310 V HA 0.209 4.329 4.120 -0.000 0.000 0.354 1310 V C 0.652 176.698 176.094 -0.081 0.000 1.350 1310 V CA -0.375 61.767 62.300 -0.263 0.000 1.244 1310 V CB -1.022 30.635 31.823 -0.277 0.000 1.222 1310 V HN 0.433 nan 8.190 nan 0.000 0.478 1311 S N 1.283 116.993 115.700 0.017 0.000 2.585 1311 S HA 0.631 5.101 4.470 -0.000 0.000 0.273 1311 S C -0.658 173.983 174.600 0.068 0.000 1.339 1311 S CA -0.441 57.825 58.200 0.110 0.000 1.028 1311 S CB 1.877 65.240 63.200 0.271 0.000 0.906 1311 S HN 0.615 nan 8.310 nan 0.000 0.528 1312 L N 2.029 123.285 121.223 0.055 0.000 2.406 1312 L HA 0.582 4.921 4.340 -0.000 0.000 0.270 1312 L C -0.601 176.296 176.870 0.045 0.000 0.982 1312 L CA -0.406 54.463 54.840 0.048 0.000 0.843 1312 L CB 1.414 43.480 42.059 0.010 0.000 1.225 1312 L HN 0.848 nan 8.230 nan 0.000 0.412 1313 R N 4.511 125.043 120.500 0.054 0.000 2.732 1313 R HA 0.640 4.980 4.340 -0.000 0.000 0.278 1313 R C -2.491 173.818 176.300 0.016 0.000 0.976 1313 R CA -2.057 54.074 56.100 0.053 0.000 0.963 1313 R CB 1.017 31.359 30.300 0.070 0.000 1.150 1313 R HN 0.412 nan 8.270 nan 0.000 0.478 1314 P HA -0.114 nan 4.420 nan 0.000 0.261 1314 P C 0.592 177.891 177.300 -0.002 0.000 1.173 1314 P CA 1.458 64.555 63.100 -0.006 0.000 0.760 1314 P CB 0.451 32.156 31.700 0.008 0.000 0.783 1315 G N 1.937 110.723 108.800 -0.024 0.000 2.268 1315 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.240 1315 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.240 1315 G C 0.093 175.013 174.900 0.034 0.000 1.010 1315 G CA -0.121 44.987 45.100 0.013 0.000 0.618 1315 G HN 0.518 nan 8.290 nan 0.000 0.516 1316 D N 0.434 120.836 120.400 0.004 0.000 2.388 1316 D HA 0.628 5.268 4.640 -0.000 0.000 0.254 1316 D C -0.192 176.079 176.300 -0.047 0.000 1.111 1316 D CA 0.018 54.063 54.000 0.075 0.000 0.993 1316 D CB 0.677 41.520 40.800 0.072 0.000 1.118 1316 D HN 0.393 nan 8.370 nan 0.000 0.502 1317 H N -0.630 118.482 119.070 0.070 0.000 2.658 1317 H HA 0.198 4.754 4.556 -0.000 0.000 0.337 1317 H C -1.036 174.347 175.328 0.092 0.000 1.009 1317 H CA -0.643 55.451 56.048 0.077 0.000 1.231 1317 H CB 0.830 30.698 29.762 0.175 0.000 1.508 1317 H HN 0.288 nan 8.280 nan 0.000 0.517 1318 Y N 2.812 123.108 120.300 -0.008 0.000 2.359 1318 Y HA 0.361 4.911 4.550 -0.000 0.000 0.334 1318 Y C -0.550 175.417 175.900 0.112 0.000 1.058 1318 Y CA -0.207 57.920 58.100 0.045 0.000 1.244 1318 Y CB 0.579 39.042 38.460 0.004 0.000 1.187 1318 Y HN 0.698 nan 8.280 nan 0.000 0.510 1319 C N 8.130 127.398 119.300 -0.053 0.000 2.789 1319 C HA 0.473 4.933 4.460 -0.000 0.000 0.367 1319 C C -1.582 173.317 174.990 -0.152 0.000 1.062 1319 C CA -0.429 58.635 59.018 0.077 0.000 1.297 1319 C CB 0.082 27.910 27.740 0.146 0.000 1.794 1319 C HN 0.879 nan 8.230 nan 0.000 0.474 1320 Q N 2.960 122.693 119.800 -0.112 0.000 2.495 1320 Q HA 0.676 5.016 4.340 -0.000 0.000 0.287 1320 Q C -1.075 174.826 176.000 -0.166 0.000 1.078 1320 Q CA -0.387 55.212 55.803 -0.339 0.000 0.793 1320 Q CB 2.643 30.886 28.738 -0.824 0.000 1.459 1320 Q HN 0.930 nan 8.270 nan 0.000 0.422 1321 E N 0.032 120.097 120.200 -0.224 0.000 2.413 1321 E HA 0.760 5.110 4.350 -0.000 0.000 0.277 1321 E C -1.213 175.323 176.600 -0.107 0.000 0.958 1321 E CA -0.745 55.575 56.400 -0.135 0.000 0.779 1321 E CB 1.735 31.382 29.700 -0.089 0.000 1.278 1321 E HN 0.439 nan 8.360 nan 0.000 0.456 1322 I N 1.763 122.278 120.570 -0.092 0.000 2.478 1322 I HA 0.342 4.511 4.170 -0.000 0.000 0.287 1322 I C -1.154 174.896 176.117 -0.113 0.000 1.042 1322 I CA -1.262 59.965 61.300 -0.123 0.000 1.067 1322 I CB 2.200 40.147 38.000 -0.088 0.000 1.233 1322 I HN 0.363 nan 8.210 nan 0.000 0.431 1323 V N 6.550 126.335 119.914 -0.214 0.000 2.357 1323 V HA 0.360 4.479 4.120 -0.000 0.000 0.284 1323 V C -0.988 174.942 176.094 -0.274 0.000 1.018 1323 V CA -0.634 61.585 62.300 -0.134 0.000 0.841 1323 V CB 1.009 32.760 31.823 -0.120 0.000 0.991 1323 V HN 0.397 nan 8.190 nan 0.000 0.437 1324 Y N 2.143 122.325 120.300 -0.196 0.000 2.335 1324 Y HA 0.553 5.103 4.550 -0.000 0.000 0.339 1324 Y C 0.849 176.403 175.900 -0.576 0.000 0.987 1324 Y CA -0.578 57.256 58.100 -0.443 0.000 1.140 1324 Y CB 1.668 39.846 38.460 -0.471 0.000 1.173 1324 Y HN 0.504 nan 8.280 nan 0.000 0.486 1325 T N 5.189 119.429 114.554 -0.524 0.000 2.779 1325 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 1325 T C -0.828 173.473 174.700 -0.664 0.000 0.987 1325 T CA -0.605 61.237 62.100 -0.430 0.000 0.966 1325 T CB 0.062 68.784 68.868 -0.242 0.000 0.933 1325 T HN 0.213 nan 8.240 nan 0.000 0.442 1326 F N 2.526 122.294 119.950 -0.304 0.000 2.420 1326 F HA 0.659 5.186 4.527 -0.000 0.000 0.342 1326 F C 1.065 176.636 175.800 -0.380 0.000 1.113 1326 F CA -0.478 57.185 58.000 -0.560 0.000 1.059 1326 F CB 1.571 39.806 39.000 -1.274 0.000 1.128 1326 F HN 0.677 nan 8.300 nan 0.000 0.475 1327 S N 0.979 116.642 115.700 -0.063 0.000 2.929 1327 S HA 0.661 5.131 4.470 -0.000 0.000 0.311 1327 S C -1.665 172.896 174.600 -0.065 0.000 1.213 1327 S CA -1.018 57.242 58.200 0.101 0.000 0.908 1327 S CB 1.750 64.982 63.200 0.054 0.000 1.287 1327 S HN 0.573 nan 8.310 nan 0.000 0.594 1328 H N -0.722 118.428 119.070 0.133 0.000 2.637 1328 H HA 0.635 5.191 4.556 -0.000 0.000 0.363 1328 H C -0.917 174.390 175.328 -0.036 0.000 1.131 1328 H CA -0.581 55.511 56.048 0.073 0.000 1.183 1328 H CB 1.850 31.650 29.762 0.063 0.000 1.637 1328 H HN 0.556 nan 8.280 nan 0.000 0.531 1329 V N 4.297 124.223 119.914 0.021 0.000 2.352 1329 V HA 0.215 4.334 4.120 -0.000 0.000 0.253 1329 V C -0.660 175.385 176.094 -0.083 0.000 1.083 1329 V CA -0.048 62.169 62.300 -0.138 0.000 0.993 1329 V CB -1.050 30.611 31.823 -0.269 0.000 1.111 1329 V HN 0.692 nan 8.190 nan 0.000 0.490 1330 N N 0.000 118.654 118.700 -0.076 0.000 1.763 1330 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1330 N CA 0.000 53.013 53.050 -0.062 0.000 0.885 1330 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 1330 N HN 0.000 nan 8.380 nan 0.000 0.667